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 2cf5_1_A DATA FIRST_RESID 6 DATA SEQUENCE AERKTTGWAA RDPSGILSPY TYTLRETGPE DVNIRIICCG ICHTDLHQTK DATA SEQUENCE NDLGMSNYPM VPGHEVVGEV VEVGSDVSKF TVGDIVGVGC LVGCCGGCSP DATA SEQUENCE CERDLEQYCP KKIWSYNDVY INGQPTQGGF AKATVVHQKF VVKIPEGMAV DATA SEQUENCE EQAAPLLCAG VTVYSPLSHF GLKQPGLRGG ILGLGGVGHM GVKIAKAMGH DATA SEQUENCE HVTVISSSNK KREEALQDLG ADDYVIGSDQ AKMSELADSL DYVIDTVPVH DATA SEQUENCE HALEPYLSLL KLDGKLILMG VINNPLQFLT PLLMLGRKVI TGSFIGSMKE DATA SEQUENCE TEEMLEFCKE KGLSSIIEVV KMDYVNTAFE RLEKNDVRYR FVVDVEGSNL DATA SEQUENCE DA 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 6 A HA 0.000 nan 4.320 nan 0.000 0.244 6 A C 0.000 177.590 177.584 0.009 0.000 1.274 6 A CA 0.000 52.051 52.037 0.024 0.000 0.836 6 A CB 0.000 19.000 19.000 0.000 0.000 0.831 7 E N 0.174 120.376 120.200 0.003 0.000 2.173 7 E HA 0.716 5.066 4.350 0.000 0.000 0.249 7 E C -0.017 176.570 176.600 -0.022 0.000 0.923 7 E CA 0.092 56.487 56.400 -0.007 0.000 0.754 7 E CB 0.693 nan 29.700 nan 0.000 1.177 7 E HN 1.760 nan 8.360 nan 0.000 0.430 8 R N 0.223 120.706 120.500 -0.029 0.000 3.927 8 R HA -0.139 4.201 4.340 0.000 0.000 0.474 8 R C -0.911 175.343 176.300 -0.078 0.000 0.243 8 R CA 0.963 57.034 56.100 -0.049 0.000 1.488 8 R CB -0.429 29.842 30.300 -0.049 0.000 1.110 8 R HN 0.651 nan 8.270 nan 0.000 0.513 9 K N 0.525 120.861 120.400 -0.106 0.000 2.156 9 K HA 0.623 4.943 4.320 0.000 0.000 0.250 9 K C -0.545 175.915 176.600 -0.233 0.000 0.955 9 K CA -0.162 56.022 56.287 -0.173 0.000 0.855 9 K CB 1.971 34.381 32.500 -0.149 0.000 1.101 9 K HN 0.735 nan 8.250 nan 0.000 0.434 10 T N -2.233 112.073 114.554 -0.414 0.000 2.906 10 T HA 0.356 4.706 4.350 0.000 0.000 0.295 10 T C -0.399 173.993 174.700 -0.514 0.000 1.075 10 T CA -0.792 61.044 62.100 -0.440 0.000 1.005 10 T CB 1.883 70.454 68.868 -0.496 0.000 1.136 10 T HN 0.436 nan 8.240 nan 0.000 0.498 11 T N -0.178 114.221 114.554 -0.259 0.000 2.856 11 T HA 0.783 5.133 4.350 0.000 0.000 0.283 11 T C -0.002 174.740 174.700 0.071 0.000 1.008 11 T CA 0.019 62.056 62.100 -0.105 0.000 0.997 11 T CB 0.764 69.608 68.868 -0.041 0.000 0.992 11 T HN 1.269 nan 8.240 nan 0.000 0.454 12 G N 2.233 111.191 108.800 0.264 0.000 2.687 12 G HA2 0.545 4.505 3.960 0.000 0.000 0.291 12 G HA3 0.545 4.505 3.960 0.000 0.000 0.291 12 G C -2.145 173.092 174.900 0.560 0.000 1.420 12 G CA -0.893 44.486 45.100 0.465 0.000 0.796 12 G HN 0.625 nan 8.290 nan 0.000 0.485 13 W N 0.832 122.257 121.300 0.209 0.000 2.314 13 W HA 0.709 5.369 4.660 0.000 0.000 0.310 13 W C 0.361 176.960 176.519 0.134 0.000 1.075 13 W CA -0.498 56.935 57.345 0.147 0.000 1.253 13 W CB 1.498 30.991 29.460 0.054 0.000 1.238 13 W HN 0.718 nan 8.180 nan 0.000 0.440 14 A N 2.316 125.258 122.820 0.203 0.000 2.311 14 A HA 0.944 5.264 4.320 0.000 0.000 0.334 14 A C -0.649 176.910 177.584 -0.042 0.000 1.139 14 A CA -0.828 51.221 52.037 0.020 0.000 0.830 14 A CB 0.914 19.759 19.000 -0.260 0.000 1.234 14 A HN 0.670 nan 8.150 nan 0.000 0.483 15 A N 0.540 123.331 122.820 -0.048 0.000 2.309 15 A HA 0.623 4.943 4.320 0.000 0.000 0.298 15 A C 0.720 178.194 177.584 -0.182 0.000 1.165 15 A CA -0.498 51.496 52.037 -0.072 0.000 0.821 15 A CB 0.296 19.336 19.000 0.067 0.000 1.102 15 A HN 1.003 nan 8.150 nan 0.000 0.500 16 R N 0.557 120.822 120.500 -0.391 0.000 2.549 16 R HA 0.262 4.603 4.340 0.000 0.000 0.361 16 R C -1.210 174.618 176.300 -0.788 0.000 0.969 16 R CA 0.042 55.857 56.100 -0.476 0.000 1.158 16 R CB 0.285 30.432 30.300 -0.254 0.000 1.456 16 R HN 0.653 nan 8.270 nan 0.000 0.540 17 D N -1.002 118.745 120.400 -1.089 0.000 2.615 17 D HA 0.195 4.835 4.640 0.000 0.000 0.267 17 D C -2.412 173.471 176.300 -0.696 0.000 1.236 17 D CA -2.032 51.443 54.000 -0.875 0.000 0.839 17 D CB 1.131 41.725 40.800 -0.343 0.000 1.380 17 D HN -0.282 nan 8.370 nan 0.000 0.433 18 P HA -0.156 nan 4.420 nan 0.000 0.231 18 P C 1.054 178.363 177.300 0.015 0.000 1.154 18 P CA 1.168 64.303 63.100 0.058 0.000 0.762 18 P CB -0.020 31.744 31.700 0.106 0.000 0.790 19 S N -0.879 114.785 115.700 -0.060 0.000 2.489 19 S HA 0.096 4.566 4.470 0.000 0.000 0.228 19 S C 1.860 176.460 174.600 -0.000 0.000 0.995 19 S CA 0.857 59.042 58.200 -0.025 0.000 0.934 19 S CB -1.480 61.689 63.200 -0.051 0.000 0.771 19 S HN 0.282 nan 8.310 nan 0.000 0.522 20 G N 1.185 109.971 108.800 -0.024 0.000 2.166 20 G HA2 -0.225 3.735 3.960 0.000 0.000 0.260 20 G HA3 -0.225 3.735 3.960 0.000 0.000 0.260 20 G C 0.054 174.956 174.900 0.004 0.000 0.986 20 G CA 0.295 45.421 45.100 0.044 0.000 0.683 20 G HN 0.539 nan 8.290 nan 0.000 0.527 21 I N 1.302 121.845 120.570 -0.045 0.000 2.533 21 I HA 0.205 4.375 4.170 0.000 0.000 0.284 21 I C 1.201 177.276 176.117 -0.070 0.000 1.109 21 I CA -0.267 60.997 61.300 -0.060 0.000 1.412 21 I CB 0.416 38.382 38.000 -0.057 0.000 1.396 21 I HN 0.052 nan 8.210 nan 0.000 0.543 22 L N 7.064 128.256 121.223 -0.052 0.000 2.292 22 L HA 0.435 4.775 4.340 0.000 0.000 0.284 22 L C 0.326 177.259 176.870 0.104 0.000 1.065 22 L CA -0.237 54.634 54.840 0.052 0.000 0.806 22 L CB 1.070 43.190 42.059 0.101 0.000 1.175 22 L HN 0.717 nan 8.230 nan 0.000 0.431 23 S N 2.264 117.899 115.700 -0.107 0.000 2.564 23 S HA 0.657 5.127 4.470 0.000 0.000 0.274 23 S C -2.942 171.267 174.600 -0.651 0.000 1.124 23 S CA -1.741 56.153 58.200 -0.510 0.000 0.869 23 S CB 2.062 65.076 63.200 -0.310 0.000 1.105 23 S HN 0.238 nan 8.310 nan 0.000 0.472 24 P HA 0.275 nan 4.420 nan 0.000 0.267 24 P C -1.393 175.818 177.300 -0.148 0.000 1.200 24 P CA 0.167 62.864 63.100 -0.673 0.000 0.772 24 P CB 0.000 31.330 31.700 -0.618 0.000 0.855 25 Y N 1.151 121.385 120.300 -0.109 0.000 2.401 25 Y HA 0.459 5.009 4.550 0.000 0.000 0.330 25 Y C -1.219 174.766 175.900 0.142 0.000 1.071 25 Y CA -0.450 57.663 58.100 0.022 0.000 1.049 25 Y CB 1.262 39.755 38.460 0.056 0.000 1.239 25 Y HN 0.207 nan 8.280 nan 0.000 0.437 26 T N 7.168 121.526 114.554 -0.327 0.000 2.859 26 T HA 0.622 4.973 4.350 0.000 0.000 0.281 26 T C -1.504 172.907 174.700 -0.482 0.000 1.005 26 T CA -0.355 61.540 62.100 -0.340 0.000 1.025 26 T CB 0.803 69.556 68.868 -0.192 0.000 0.977 26 T HN 0.588 nan 8.240 nan 0.000 0.458 27 Y N -1.373 118.643 120.300 -0.473 0.000 2.670 27 Y HA 0.711 5.261 4.550 0.000 0.000 0.334 27 Y C -0.737 175.069 175.900 -0.157 0.000 1.185 27 Y CA -1.397 56.490 58.100 -0.355 0.000 1.053 27 Y CB 0.560 38.774 38.460 -0.410 0.000 1.298 27 Y HN 0.434 nan 8.280 nan 0.000 0.459 28 T N 3.320 117.915 114.554 0.069 0.000 2.767 28 T HA 0.545 4.895 4.350 0.000 0.000 0.284 28 T C -0.199 174.555 174.700 0.091 0.000 0.973 28 T CA -0.636 61.474 62.100 0.016 0.000 0.996 28 T CB 0.688 69.575 68.868 0.032 0.000 0.927 28 T HN 0.549 nan 8.240 nan 0.000 0.456 29 L N 2.943 124.173 121.223 0.011 0.000 2.439 29 L HA 0.541 4.881 4.340 0.000 0.000 0.259 29 L C 1.266 178.157 176.870 0.034 0.000 1.129 29 L CA -1.214 53.654 54.840 0.047 0.000 0.803 29 L CB 0.697 42.753 42.059 -0.005 0.000 1.161 29 L HN 0.666 nan 8.230 nan 0.000 0.462 30 R N 0.284 120.804 120.500 0.034 0.000 2.649 30 R HA 0.258 4.598 4.340 0.000 0.000 0.270 30 R C -0.499 175.811 176.300 0.015 0.000 1.105 30 R CA -0.765 55.355 56.100 0.033 0.000 1.193 30 R CB 0.528 30.853 30.300 0.042 0.000 1.120 30 R HN 0.358 nan 8.270 nan 0.000 0.561 31 E N 0.597 120.812 120.200 0.024 0.000 2.360 31 E HA 0.053 4.403 4.350 0.000 0.000 0.269 31 E C -0.776 175.831 176.600 0.012 0.000 1.022 31 E CA 0.135 56.544 56.400 0.015 0.000 0.887 31 E CB 1.032 30.745 29.700 0.022 0.000 0.990 31 E HN 0.499 nan 8.360 nan 0.000 0.426 32 T N 4.082 118.636 114.554 0.001 0.000 2.771 32 T HA 0.268 4.618 4.350 0.000 0.000 0.277 32 T C 0.441 175.142 174.700 0.002 0.000 0.919 32 T CA 0.155 62.251 62.100 -0.006 0.000 1.163 32 T CB 0.048 68.909 68.868 -0.012 0.000 0.876 32 T HN 0.550 nan 8.240 nan 0.000 0.545 33 G N 4.573 113.378 108.800 0.007 0.000 2.651 33 G HA2 0.275 4.235 3.960 0.000 0.000 0.260 33 G HA3 0.275 4.235 3.960 0.000 0.000 0.260 33 G C -0.835 174.062 174.900 -0.006 0.000 1.216 33 G CA -1.311 43.798 45.100 0.014 0.000 0.913 33 G HN 0.342 nan 8.290 nan 0.000 0.535 34 P HA -0.107 nan 4.420 nan 0.000 0.216 34 P C 0.905 178.188 177.300 -0.028 0.000 1.150 34 P CA 1.311 64.408 63.100 -0.004 0.000 0.837 34 P CB 0.365 32.071 31.700 0.011 0.000 0.786 35 E N -0.663 119.483 120.200 -0.089 0.000 2.472 35 E HA 0.062 4.412 4.350 0.000 0.000 0.196 35 E C 0.190 176.625 176.600 -0.276 0.000 1.033 35 E CA 0.138 56.418 56.400 -0.200 0.000 0.886 35 E CB -0.025 29.448 29.700 -0.379 0.000 0.944 35 E HN 0.355 nan 8.360 nan 0.000 0.492 36 D N 0.823 121.119 120.400 -0.175 0.000 2.344 36 D HA 0.180 4.820 4.640 0.000 0.000 0.244 36 D C -0.132 176.128 176.300 -0.067 0.000 1.134 36 D CA -0.049 53.880 54.000 -0.118 0.000 0.930 36 D CB 1.853 42.613 40.800 -0.067 0.000 1.175 36 D HN -0.271 nan 8.370 nan 0.000 0.437 37 V N 1.926 121.795 119.914 -0.076 0.000 2.577 37 V HA 0.228 4.348 4.120 0.000 0.000 0.303 37 V C -0.234 175.806 176.094 -0.091 0.000 1.042 37 V CA -0.941 61.299 62.300 -0.099 0.000 0.872 37 V CB 1.840 33.529 31.823 -0.223 0.000 0.998 37 V HN 0.419 nan 8.190 nan 0.000 0.423 38 N N 4.653 123.313 118.700 -0.067 0.000 2.419 38 N HA 0.623 5.363 4.740 0.000 0.000 0.277 38 N C -1.092 174.386 175.510 -0.053 0.000 1.006 38 N CA -0.265 52.754 53.050 -0.052 0.000 0.923 38 N CB 0.977 39.443 38.487 -0.035 0.000 1.140 38 N HN 0.633 nan 8.380 nan 0.000 0.488 39 I N 1.966 122.508 120.570 -0.046 0.000 2.509 39 I HA 0.373 4.543 4.170 0.000 0.000 0.293 39 I C 0.243 176.349 176.117 -0.019 0.000 1.020 39 I CA -0.961 60.315 61.300 -0.040 0.000 1.088 39 I CB 2.035 40.006 38.000 -0.049 0.000 1.267 39 I HN 0.364 nan 8.210 nan 0.000 0.430 40 R N 6.945 127.436 120.500 -0.014 0.000 2.233 40 R HA 0.475 4.815 4.340 0.000 0.000 0.334 40 R C -0.692 175.609 176.300 0.002 0.000 1.037 40 R CA -0.632 55.464 56.100 -0.007 0.000 0.920 40 R CB 0.465 30.759 30.300 -0.009 0.000 1.137 40 R HN 0.615 nan 8.270 nan 0.000 0.492 41 I N 6.563 127.141 120.570 0.013 0.000 2.664 41 I HA -0.126 4.044 4.170 0.000 0.000 0.284 41 I C 1.450 177.575 176.117 0.013 0.000 1.154 41 I CA 0.349 61.664 61.300 0.024 0.000 1.402 41 I CB 0.613 38.643 38.000 0.051 0.000 1.395 41 I HN 0.714 nan 8.210 nan 0.000 0.545 42 I N 5.814 126.390 120.570 0.011 0.000 2.385 42 I HA -0.042 4.128 4.170 0.000 0.000 0.244 42 I C 0.835 176.949 176.117 -0.005 0.000 1.089 42 I CA 0.920 62.220 61.300 0.000 0.000 1.410 42 I CB 0.208 38.210 38.000 0.003 0.000 1.117 42 I HN 0.719 nan 8.210 nan 0.000 0.429 43 C N -2.107 117.198 119.300 0.008 0.000 3.173 43 C HA 0.729 5.189 4.460 0.000 0.000 0.310 43 C C -0.704 174.310 174.990 0.040 0.000 1.306 43 C CA -1.594 57.427 59.018 0.005 0.000 1.426 43 C CB 1.033 28.773 27.740 0.001 0.000 1.800 43 C HN 0.416 nan 8.230 nan 0.000 0.470 44 C N 1.653 120.985 119.300 0.053 0.000 2.535 44 C HA 0.885 5.345 4.460 0.000 0.000 0.319 44 C C 0.610 175.692 174.990 0.154 0.000 1.171 44 C CA 0.843 59.943 59.018 0.137 0.000 1.394 44 C CB 0.776 28.688 27.740 0.285 0.000 1.990 44 C HN 1.552 nan 8.230 nan 0.000 0.466 45 G N 4.571 113.455 108.800 0.140 0.000 2.448 45 G HA2 0.626 4.586 3.960 0.000 0.000 0.285 45 G HA3 0.626 4.586 3.960 0.000 0.000 0.285 45 G C -0.729 174.289 174.900 0.196 0.000 1.176 45 G CA -0.434 44.747 45.100 0.135 0.000 0.852 45 G HN 0.868 nan 8.290 nan 0.000 0.530 46 I N 0.306 121.012 120.570 0.227 0.000 2.412 46 I HA 0.524 4.694 4.170 0.000 0.000 0.296 46 I C 0.297 176.486 176.117 0.120 0.000 0.987 46 I CA -0.645 60.798 61.300 0.239 0.000 1.180 46 I CB 1.630 39.815 38.000 0.307 0.000 1.340 46 I HN 0.712 nan 8.210 nan 0.000 0.455 47 C N 2.002 121.335 119.300 0.054 0.000 3.311 47 C HA 0.405 4.865 4.460 0.000 0.000 0.325 47 C C 1.282 176.259 174.990 -0.022 0.000 1.352 47 C CA -0.657 58.391 59.018 0.051 0.000 1.308 47 C CB 1.133 28.972 27.740 0.166 0.000 1.619 47 C HN 0.951 nan 8.230 nan 0.000 0.469 48 H N 0.793 119.868 119.070 0.008 0.000 2.472 48 H HA -0.107 4.449 4.556 0.000 0.000 0.296 48 H C 1.984 177.282 175.328 -0.051 0.000 1.120 48 H CA 2.714 58.700 56.048 -0.103 0.000 1.250 48 H CB -0.224 29.523 29.762 -0.024 0.000 1.366 48 H HN 0.859 nan 8.280 nan 0.000 0.524 49 T N 0.251 114.952 114.554 0.245 0.000 2.684 49 T HA -0.171 4.179 4.350 0.000 0.000 0.267 49 T C 1.495 176.297 174.700 0.171 0.000 1.036 49 T CA 1.515 63.745 62.100 0.215 0.000 1.148 49 T CB -0.229 68.688 68.868 0.081 0.000 0.863 49 T HN 0.461 nan 8.240 nan 0.000 0.436 50 D N 0.987 121.512 120.400 0.208 0.000 2.149 50 D HA -0.042 4.598 4.640 0.000 0.000 0.198 50 D C 2.043 178.343 176.300 -0.000 0.000 0.990 50 D CA 0.668 54.770 54.000 0.169 0.000 0.839 50 D CB -0.383 40.482 40.800 0.108 0.000 0.948 50 D HN 0.272 nan 8.370 nan 0.000 0.460 51 L N 0.194 121.243 121.223 -0.289 0.000 2.217 51 L HA -0.147 4.193 4.340 0.000 0.000 0.211 51 L C 2.330 179.102 176.870 -0.163 0.000 1.107 51 L CA 1.091 55.703 54.840 -0.380 0.000 0.783 51 L CB 0.010 41.720 42.059 -0.583 0.000 0.919 51 L HN 0.082 nan 8.230 nan 0.000 0.442 52 H N -0.776 118.330 119.070 0.061 0.000 2.329 52 H HA -0.031 4.525 4.556 0.000 0.000 0.306 52 H C 2.200 177.569 175.328 0.068 0.000 1.062 52 H CA 1.028 57.115 56.048 0.065 0.000 1.364 52 H CB -0.072 29.715 29.762 0.043 0.000 1.409 52 H HN 0.373 nan 8.280 nan 0.000 0.519 53 Q N 0.124 120.038 119.800 0.190 0.000 2.124 53 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 53 Q C 2.187 178.302 176.000 0.192 0.000 0.977 53 Q CA 1.245 57.128 55.803 0.133 0.000 0.850 53 Q CB -0.550 28.287 28.738 0.165 0.000 0.901 53 Q HN 0.362 nan 8.270 nan 0.000 0.429 54 T N 1.789 116.497 114.554 0.256 0.000 2.597 54 T HA -0.166 4.184 4.350 0.000 0.000 0.267 54 T C 1.430 176.316 174.700 0.310 0.000 1.053 54 T CA 1.561 63.846 62.100 0.308 0.000 1.165 54 T CB -0.096 69.004 68.868 0.387 0.000 0.863 54 T HN 0.254 nan 8.240 nan 0.000 0.427 55 K N 0.874 121.416 120.400 0.237 0.000 2.476 55 K HA 0.197 4.517 4.320 0.000 0.000 0.196 55 K C 1.093 177.810 176.600 0.195 0.000 1.025 55 K CA 0.061 56.465 56.287 0.195 0.000 1.138 55 K CB -0.048 32.544 32.500 0.153 0.000 0.860 55 K HN 0.460 nan 8.250 nan 0.000 0.515 56 N N 0.369 119.198 118.700 0.216 0.000 2.858 56 N HA -0.419 4.321 4.740 0.000 0.000 0.221 56 N C 0.012 175.573 175.510 0.084 0.000 0.175 56 N CA 1.863 54.992 53.050 0.132 0.000 4.001 56 N CB -0.726 37.851 38.487 0.150 0.000 0.946 56 N HN 0.193 nan 8.380 nan 0.000 0.234 57 D N -0.602 119.854 120.400 0.094 0.000 4.484 57 D HA -0.260 4.380 4.640 0.000 0.000 0.247 57 D C 1.325 177.631 176.300 0.011 0.000 1.020 57 D CA 2.616 56.661 54.000 0.074 0.000 2.101 57 D CB -1.425 39.463 40.800 0.147 0.000 1.165 57 D HN 0.575 nan 8.370 nan 0.000 0.427 58 L N -0.798 120.410 121.223 -0.024 0.000 2.700 58 L HA 0.315 4.655 4.340 0.000 0.000 0.240 58 L C 1.723 178.555 176.870 -0.063 0.000 1.162 58 L CA 1.594 56.394 54.840 -0.068 0.000 0.874 58 L CB -1.707 40.286 42.059 -0.111 0.000 1.001 58 L HN 0.530 nan 8.230 nan 0.000 0.447 59 G N 0.867 109.644 108.800 -0.037 0.000 2.166 59 G HA2 -0.347 3.613 3.960 0.000 0.000 0.260 59 G HA3 -0.347 3.613 3.960 0.000 0.000 0.260 59 G C 0.569 175.432 174.900 -0.062 0.000 0.986 59 G CA 0.864 45.944 45.100 -0.035 0.000 0.683 59 G HN 0.515 nan 8.290 nan 0.000 0.527 60 M N 0.864 120.405 119.600 -0.098 0.000 2.875 60 M HA 0.219 4.699 4.480 0.000 0.000 0.403 60 M C 0.188 176.370 176.300 -0.196 0.000 1.304 60 M CA -0.105 55.114 55.300 -0.135 0.000 0.854 60 M CB 1.164 33.675 32.600 -0.149 0.000 1.415 60 M HN 0.076 nan 8.290 nan 0.000 0.505 61 S N 1.395 116.951 115.700 -0.240 0.000 2.513 61 S HA 0.358 4.828 4.470 0.000 0.000 0.276 61 S C -0.195 174.041 174.600 -0.606 0.000 1.254 61 S CA -0.438 57.495 58.200 -0.444 0.000 1.053 61 S CB 0.500 63.361 63.200 -0.566 0.000 0.958 61 S HN 0.408 nan 8.310 nan 0.000 0.491 62 N N 1.621 120.004 118.700 -0.528 0.000 2.417 62 N HA 0.395 5.136 4.740 0.000 0.000 0.274 62 N C -1.392 173.874 175.510 -0.407 0.000 0.987 62 N CA -0.433 52.389 53.050 -0.380 0.000 0.912 62 N CB 1.055 39.431 38.487 -0.186 0.000 1.177 62 N HN 0.537 nan 8.380 nan 0.000 0.490 63 Y N 1.194 121.459 120.300 -0.059 0.000 2.419 63 Y HA 0.444 4.994 4.550 0.000 0.000 0.328 63 Y C -1.507 174.312 175.900 -0.135 0.000 1.162 63 Y CA -2.080 55.958 58.100 -0.103 0.000 1.174 63 Y CB 0.691 39.096 38.460 -0.090 0.000 1.228 63 Y HN 0.381 nan 8.280 nan 0.000 0.473 64 P HA 0.144 nan 4.420 nan 0.000 0.275 64 P C -1.191 175.971 177.300 -0.230 0.000 1.227 64 P CA -0.178 62.775 63.100 -0.245 0.000 0.781 64 P CB 1.183 32.425 31.700 -0.764 0.000 0.906 65 M N 2.864 122.417 119.600 -0.078 0.000 2.093 65 M HA 0.232 4.712 4.480 0.000 0.000 0.297 65 M C -1.312 174.913 176.300 -0.125 0.000 0.938 65 M CA -0.898 54.372 55.300 -0.050 0.000 0.920 65 M CB 1.708 34.369 32.600 0.101 0.000 1.517 65 M HN 0.018 nan 8.290 nan 0.000 0.427 66 V N 8.293 128.097 119.914 -0.183 0.000 2.368 66 V HA 0.327 4.447 4.120 0.000 0.000 0.266 66 V C -2.135 173.613 176.094 -0.577 0.000 1.045 66 V CA -1.222 60.975 62.300 -0.172 0.000 0.899 66 V CB 0.756 32.578 31.823 -0.001 0.000 1.006 66 V HN 0.697 nan 8.190 nan 0.000 0.470 67 P HA 0.422 nan 4.420 nan 0.000 0.312 67 P C 0.190 176.782 177.300 -1.181 0.000 1.307 67 P CA 0.229 62.487 63.100 -1.405 0.000 0.738 67 P CB 0.391 31.569 31.700 -0.870 0.000 1.422 68 G N -0.097 108.176 108.800 -0.877 0.000 3.436 68 G HA2 -0.051 3.909 3.960 0.000 0.000 0.685 68 G HA3 -0.051 3.909 3.960 0.000 0.000 0.685 68 G C -0.085 174.911 174.900 0.160 0.000 1.039 68 G CA -0.199 44.693 45.100 -0.346 0.000 0.879 68 G HN 0.902 nan 8.290 nan 0.000 0.478 69 H N 0.310 119.479 119.070 0.165 0.000 2.885 69 H HA 0.321 4.878 4.556 0.000 0.000 0.254 69 H C 0.167 175.587 175.328 0.153 0.000 1.185 69 H CA 0.144 56.316 56.048 0.206 0.000 1.029 69 H CB 0.681 30.603 29.762 0.267 0.000 1.743 69 H HN 0.548 nan 8.280 nan 0.000 0.632 70 E N 1.881 122.032 120.200 -0.081 0.000 3.312 70 E HA 0.301 4.651 4.350 0.000 0.000 0.215 70 E C -0.790 175.834 176.600 0.042 0.000 1.160 70 E CA -0.349 56.027 56.400 -0.040 0.000 1.267 70 E CB 1.679 31.319 29.700 -0.101 0.000 1.361 70 E HN 0.046 nan 8.360 nan 0.000 0.433 71 V N 1.765 121.722 119.914 0.072 0.000 2.461 71 V HA 0.224 4.344 4.120 0.000 0.000 0.275 71 V C -0.130 175.997 176.094 0.055 0.000 1.047 71 V CA -0.488 61.860 62.300 0.079 0.000 0.955 71 V CB 1.520 33.400 31.823 0.096 0.000 0.988 71 V HN 0.180 nan 8.190 nan 0.000 0.471 72 V N 5.274 125.217 119.914 0.047 0.000 2.577 72 V HA 1.011 5.131 4.120 0.000 0.000 0.303 72 V C 0.018 176.127 176.094 0.025 0.000 1.042 72 V CA 0.687 63.006 62.300 0.033 0.000 0.872 72 V CB 1.372 33.212 31.823 0.030 0.000 0.998 72 V HN 0.977 nan 8.190 nan 0.000 0.423 73 G N 4.589 113.399 108.800 0.016 0.000 2.976 73 G HA2 0.582 4.543 3.960 0.000 0.000 0.276 73 G HA3 0.582 4.543 3.960 0.000 0.000 0.276 73 G C -1.332 173.569 174.900 0.002 0.000 1.207 73 G CA -0.275 44.830 45.100 0.009 0.000 0.803 73 G HN 0.884 nan 8.290 nan 0.000 0.572 74 E N -0.224 119.974 120.200 -0.004 0.000 2.210 74 E HA 0.485 4.835 4.350 0.000 0.000 0.266 74 E C -0.415 176.176 176.600 -0.015 0.000 0.883 74 E CA -0.845 55.553 56.400 -0.002 0.000 0.761 74 E CB 2.033 31.735 29.700 0.003 0.000 1.156 74 E HN 0.550 nan 8.360 nan 0.000 0.412 75 V N 3.442 123.348 119.914 -0.013 0.000 2.415 75 V HA 0.114 4.234 4.120 0.000 0.000 0.267 75 V C 1.000 177.092 176.094 -0.003 0.000 1.042 75 V CA -0.067 62.218 62.300 -0.025 0.000 1.000 75 V CB 0.308 32.122 31.823 -0.014 0.000 1.015 75 V HN 0.634 nan 8.190 nan 0.000 0.478 76 V N 0.959 120.865 119.914 -0.012 0.000 3.307 76 V HA 0.403 4.523 4.120 0.000 0.000 0.253 76 V C 0.664 176.756 176.094 -0.003 0.000 1.149 76 V CA 0.883 63.179 62.300 -0.006 0.000 1.112 76 V CB -0.462 31.355 31.823 -0.011 0.000 0.777 76 V HN 0.984 nan 8.190 nan 0.000 0.464 77 E N 0.632 120.827 120.200 -0.008 0.000 2.352 77 E HA 0.583 4.933 4.350 0.000 0.000 0.280 77 E C -1.749 174.849 176.600 -0.003 0.000 0.930 77 E CA -0.610 55.788 56.400 -0.003 0.000 0.765 77 E CB 2.933 32.628 29.700 -0.009 0.000 1.219 77 E HN 0.273 nan 8.360 nan 0.000 0.434 78 V N 0.742 120.663 119.914 0.012 0.000 2.638 78 V HA 0.795 4.915 4.120 0.000 0.000 0.306 78 V C 0.583 176.688 176.094 0.019 0.000 1.052 78 V CA -0.316 61.997 62.300 0.022 0.000 0.885 78 V CB 1.186 33.047 31.823 0.064 0.000 0.999 78 V HN 0.768 nan 8.190 nan 0.000 0.424 79 G N 2.926 111.731 108.800 0.008 0.000 2.760 79 G HA2 0.226 4.186 3.960 0.000 0.000 0.236 79 G HA3 0.226 4.186 3.960 0.000 0.000 0.236 79 G C 0.946 175.855 174.900 0.015 0.000 1.243 79 G CA 0.365 45.467 45.100 0.003 0.000 0.850 79 G HN 1.165 nan 8.290 nan 0.000 0.595 80 S N 0.338 116.045 115.700 0.011 0.000 2.387 80 S HA -0.146 4.324 4.470 0.000 0.000 0.230 80 S C 1.667 176.280 174.600 0.020 0.000 1.035 80 S CA 1.759 59.968 58.200 0.016 0.000 1.014 80 S CB -0.126 63.082 63.200 0.014 0.000 0.836 80 S HN 0.682 nan 8.310 nan 0.000 0.466 81 D N 0.538 120.951 120.400 0.022 0.000 2.277 81 D HA 0.093 4.733 4.640 0.000 0.000 0.209 81 D C 0.991 177.315 176.300 0.041 0.000 0.970 81 D CA 0.201 54.218 54.000 0.029 0.000 0.874 81 D CB -0.505 40.314 40.800 0.031 0.000 0.982 81 D HN 0.361 nan 8.370 nan 0.000 0.504 82 V N 1.632 121.578 119.914 0.054 0.000 2.694 82 V HA 0.143 4.263 4.120 0.000 0.000 0.306 82 V C 0.864 177.006 176.094 0.079 0.000 1.054 82 V CA 1.157 63.513 62.300 0.093 0.000 1.161 82 V CB 1.294 33.209 31.823 0.153 0.000 0.916 82 V HN 0.206 nan 8.190 nan 0.000 0.490 83 S N 2.510 118.247 115.700 0.062 0.000 2.733 83 S HA 0.229 4.699 4.470 0.000 0.000 0.270 83 S C 1.092 175.664 174.600 -0.047 0.000 1.062 83 S CA -0.025 58.186 58.200 0.018 0.000 1.256 83 S CB -0.065 63.137 63.200 0.004 0.000 1.187 83 S HN 0.817 nan 8.310 nan 0.000 0.666 84 K N 0.765 121.097 120.400 -0.114 0.000 2.025 84 K HA 0.149 4.469 4.320 0.000 0.000 0.207 84 K C -0.466 175.837 176.600 -0.495 0.000 1.049 84 K CA 1.000 57.049 56.287 -0.396 0.000 0.933 84 K CB -0.188 31.890 32.500 -0.704 0.000 0.714 84 K HN 0.406 nan 8.250 nan 0.000 0.438 85 F N 1.024 120.980 119.950 0.009 0.000 2.404 85 F HA 0.225 4.752 4.527 0.000 0.000 0.339 85 F C 0.452 176.256 175.800 0.007 0.000 1.105 85 F CA -0.697 57.308 58.000 0.009 0.000 1.087 85 F CB 1.603 40.611 39.000 0.013 0.000 1.143 85 F HN -0.269 nan 8.300 nan 0.000 0.491 86 T N 2.852 117.511 114.554 0.175 0.000 2.823 86 T HA 0.393 4.743 4.350 0.000 0.000 0.279 86 T C -0.300 174.464 174.700 0.106 0.000 0.998 86 T CA -0.584 61.577 62.100 0.102 0.000 0.994 86 T CB 1.538 70.439 68.868 0.055 0.000 0.960 86 T HN 0.262 nan 8.240 nan 0.000 0.448 87 V N 3.431 123.388 119.914 0.072 0.000 2.694 87 V HA 0.375 4.495 4.120 0.000 0.000 0.306 87 V C 1.571 177.692 176.094 0.044 0.000 1.054 87 V CA 1.888 64.218 62.300 0.051 0.000 1.161 87 V CB 0.516 32.359 31.823 0.032 0.000 0.916 87 V HN 1.271 nan 8.190 nan 0.000 0.490 88 G N 3.846 112.670 108.800 0.039 0.000 2.339 88 G HA2 -0.172 3.788 3.960 0.000 0.000 0.209 88 G HA3 -0.172 3.788 3.960 0.000 0.000 0.209 88 G C -0.041 174.885 174.900 0.044 0.000 1.015 88 G CA -0.101 45.019 45.100 0.034 0.000 0.635 88 G HN 0.651 nan 8.290 nan 0.000 0.499 89 D N 1.491 121.934 120.400 0.072 0.000 2.472 89 D HA 0.325 4.965 4.640 0.000 0.000 0.248 89 D C 0.650 176.998 176.300 0.081 0.000 1.174 89 D CA 0.259 54.317 54.000 0.097 0.000 0.883 89 D CB 0.726 41.638 40.800 0.187 0.000 1.149 89 D HN 0.277 nan 8.370 nan 0.000 0.488 90 I N 3.352 123.960 120.570 0.063 0.000 2.505 90 I HA -0.006 4.164 4.170 0.000 0.000 0.287 90 I C 0.654 176.811 176.117 0.067 0.000 1.104 90 I CA 0.025 61.353 61.300 0.048 0.000 1.387 90 I CB 0.379 38.400 38.000 0.034 0.000 1.404 90 I HN 0.117 nan 8.210 nan 0.000 0.528 91 V N 3.337 123.277 119.914 0.044 0.000 3.158 91 V HA 1.074 5.194 4.120 0.000 0.000 0.315 91 V C 0.053 176.159 176.094 0.019 0.000 1.148 91 V CA -0.672 61.654 62.300 0.043 0.000 1.042 91 V CB 1.584 33.374 31.823 -0.056 0.000 1.101 91 V HN 0.723 nan 8.190 nan 0.000 0.448 92 G N -0.515 108.301 108.800 0.026 0.000 2.659 92 G HA2 0.662 4.622 3.960 0.000 0.000 0.296 92 G HA3 0.662 4.622 3.960 0.000 0.000 0.296 92 G C -1.768 173.153 174.900 0.035 0.000 1.369 92 G CA -0.706 44.413 45.100 0.030 0.000 0.937 92 G HN 1.030 nan 8.290 nan 0.000 0.485 93 V N 0.639 120.583 119.914 0.050 0.000 2.588 93 V HA 0.788 4.909 4.120 0.000 0.000 0.304 93 V C 0.905 177.056 176.094 0.096 0.000 1.042 93 V CA 0.073 62.419 62.300 0.076 0.000 0.877 93 V CB 1.515 33.381 31.823 0.072 0.000 0.996 93 V HN 1.066 nan 8.190 nan 0.000 0.425 94 G N 1.222 110.087 108.800 0.108 0.000 2.630 94 G HA2 0.231 4.191 3.960 0.000 0.000 0.223 94 G HA3 0.231 4.191 3.960 0.000 0.000 0.223 94 G C 1.154 176.141 174.900 0.145 0.000 1.434 94 G CA 0.312 45.478 45.100 0.110 0.000 1.057 94 G HN 0.734 nan 8.290 nan 0.000 0.570 95 C N -0.815 118.554 119.300 0.114 0.000 2.419 95 C HA 0.226 4.687 4.460 0.000 0.000 0.281 95 C C 1.025 175.966 174.990 -0.081 0.000 1.336 95 C CA 0.199 59.266 59.018 0.082 0.000 1.770 95 C CB -1.546 26.182 27.740 -0.021 0.000 1.929 95 C HN 0.208 nan 8.230 nan 0.000 0.509 96 L N 0.033 121.178 121.223 -0.129 0.000 2.333 96 L HA 0.495 4.835 4.340 0.000 0.000 0.269 96 L C 0.527 177.214 176.870 -0.306 0.000 1.010 96 L CA -0.241 54.428 54.840 -0.286 0.000 0.818 96 L CB 1.687 43.541 42.059 -0.342 0.000 1.306 96 L HN -0.047 nan 8.230 nan 0.000 0.430 97 V N -2.379 117.192 119.914 -0.572 0.000 3.330 97 V HA 0.697 4.817 4.120 0.000 0.000 0.309 97 V C 0.215 175.786 176.094 -0.873 0.000 1.481 97 V CA 0.196 62.151 62.300 -0.575 0.000 1.068 97 V CB 0.344 32.058 31.823 -0.180 0.000 0.935 97 V HN 0.831 nan 8.190 nan 0.000 0.453 98 G N -0.323 107.662 108.800 -1.358 0.000 2.556 98 G HA2 0.587 4.547 3.960 0.000 0.000 0.294 98 G HA3 0.587 4.547 3.960 0.000 0.000 0.294 98 G C -1.142 173.495 174.900 -0.438 0.000 1.516 98 G CA 0.106 44.785 45.100 -0.701 0.000 0.824 98 G HN 1.261 nan 8.290 nan 0.000 0.535 99 C N -1.168 118.104 119.300 -0.048 0.000 3.318 99 C HA 0.675 5.135 4.460 0.000 0.000 0.322 99 C C 1.975 176.986 174.990 0.035 0.000 1.398 99 C CA -0.040 59.007 59.018 0.048 0.000 1.339 99 C CB 0.959 28.818 27.740 0.199 0.000 1.668 99 C HN 1.913 nan 8.230 nan 0.000 0.462 100 C N 0.600 119.914 119.300 0.024 0.000 2.432 100 C HA 0.433 4.893 4.460 0.000 0.000 0.282 100 C C 2.402 177.404 174.990 0.019 0.000 1.388 100 C CA 1.309 60.334 59.018 0.011 0.000 1.777 100 C CB -1.961 25.785 27.740 0.010 0.000 1.882 100 C HN 2.766 nan 8.230 nan 0.000 0.520 101 G N 0.193 109.012 108.800 0.030 0.000 2.189 101 G HA2 -0.052 3.908 3.960 0.000 0.000 0.267 101 G HA3 -0.052 3.908 3.960 0.000 0.000 0.267 101 G C 0.743 175.653 174.900 0.018 0.000 0.975 101 G CA 0.361 45.474 45.100 0.022 0.000 0.644 101 G HN 1.698 nan 8.290 nan 0.000 0.537 102 G N -0.715 108.095 108.800 0.018 0.000 4.552 102 G HA2 0.537 4.497 3.960 0.000 0.000 0.281 102 G HA3 0.537 4.497 3.960 0.000 0.000 0.281 102 G C 0.288 175.197 174.900 0.014 0.000 1.037 102 G CA 0.919 46.027 45.100 0.015 0.000 0.806 102 G HN 1.566 nan 8.290 nan 0.000 0.495 103 C N -2.017 117.294 119.300 0.018 0.000 2.771 103 C HA 0.822 5.282 4.460 0.000 0.000 0.333 103 C C 1.894 176.896 174.990 0.019 0.000 1.267 103 C CA 0.164 59.193 59.018 0.018 0.000 1.721 103 C CB 1.433 29.186 27.740 0.022 0.000 2.222 103 C HN 0.147 nan 8.230 nan 0.000 0.485 104 S N 1.216 116.925 115.700 0.017 0.000 2.370 104 S HA -0.030 4.440 4.470 0.000 0.000 0.226 104 S C -0.634 173.979 174.600 0.020 0.000 1.033 104 S CA 2.464 60.672 58.200 0.014 0.000 1.011 104 S CB -1.241 61.964 63.200 0.008 0.000 0.852 104 S HN 0.836 nan 8.310 nan 0.000 0.457 105 P HA -0.051 nan 4.420 nan 0.000 0.216 105 P C 1.395 178.725 177.300 0.050 0.000 1.150 105 P CA 1.073 64.210 63.100 0.061 0.000 0.843 105 P CB -0.167 31.598 31.700 0.108 0.000 0.787 106 C N -1.126 118.197 119.300 0.038 0.000 2.446 106 C HA -0.032 4.428 4.460 0.000 0.000 0.279 106 C C 2.462 177.455 174.990 0.005 0.000 1.366 106 C CA 0.722 59.753 59.018 0.023 0.000 1.763 106 C CB -1.449 26.307 27.740 0.027 0.000 1.929 106 C HN 0.345 nan 8.230 nan 0.000 0.509 107 E N 0.210 120.415 120.200 0.008 0.000 2.170 107 E HA -0.056 4.294 4.350 0.000 0.000 0.191 107 E C 2.146 178.745 176.600 -0.002 0.000 0.981 107 E CA 0.516 56.917 56.400 0.002 0.000 0.830 107 E CB -0.101 29.601 29.700 0.004 0.000 0.775 107 E HN 0.565 nan 8.360 nan 0.000 0.470 108 R N 0.900 121.402 120.500 0.003 0.000 2.316 108 R HA -0.049 4.291 4.340 0.000 0.000 0.202 108 R C -0.013 176.285 176.300 -0.003 0.000 1.029 108 R CA 0.376 56.476 56.100 0.001 0.000 1.018 108 R CB 0.032 30.335 30.300 0.004 0.000 0.888 108 R HN 0.091 nan 8.270 nan 0.000 0.471 109 D N 0.020 120.415 120.400 -0.009 0.000 2.775 109 D HA -0.147 4.493 4.640 0.000 0.000 0.235 109 D C -1.135 175.155 176.300 -0.016 0.000 1.120 109 D CA 0.592 54.576 54.000 -0.027 0.000 0.708 109 D CB -0.426 40.353 40.800 -0.034 0.000 1.084 109 D HN 0.034 nan 8.370 nan 0.000 0.434 110 L N 1.127 122.361 121.223 0.019 0.000 2.913 110 L HA 0.208 4.548 4.340 0.000 0.000 0.283 110 L C 1.092 178.014 176.870 0.086 0.000 1.336 110 L CA -0.035 54.855 54.840 0.084 0.000 0.815 110 L CB 0.976 43.126 42.059 0.152 0.000 1.188 110 L HN -0.084 nan 8.230 nan 0.000 0.551 111 E N -0.787 119.419 120.200 0.012 0.000 2.347 111 E HA -0.177 4.174 4.350 0.000 0.000 0.196 111 E C 1.770 178.395 176.600 0.042 0.000 1.008 111 E CA 0.490 56.914 56.400 0.040 0.000 0.852 111 E CB -0.053 29.662 29.700 0.025 0.000 0.783 111 E HN 0.490 nan 8.360 nan 0.000 0.505 112 Q N 0.378 120.132 119.800 -0.076 0.000 2.364 112 Q HA -0.162 4.178 4.340 0.000 0.000 0.207 112 Q C 0.961 176.917 176.000 -0.072 0.000 0.970 112 Q CA 1.295 57.018 55.803 -0.134 0.000 0.888 112 Q CB -0.496 27.966 28.738 -0.460 0.000 0.951 112 Q HN 0.559 nan 8.270 nan 0.000 0.469 113 Y N 0.478 120.868 120.300 0.149 0.000 2.466 113 Y HA 0.135 4.685 4.550 0.000 0.000 0.272 113 Y C 1.225 177.153 175.900 0.046 0.000 1.169 113 Y CA -0.603 57.561 58.100 0.106 0.000 1.285 113 Y CB 0.466 38.959 38.460 0.054 0.000 1.078 113 Y HN 0.170 nan 8.280 nan 0.000 0.523 114 C N 4.664 124.047 119.300 0.140 0.000 2.596 114 C HA -0.010 4.450 4.460 0.000 0.000 0.414 114 C C -0.180 174.844 174.990 0.056 0.000 1.396 114 C CA -1.553 57.516 59.018 0.086 0.000 1.698 114 C CB 0.571 28.351 27.740 0.067 0.000 2.572 114 C HN 0.349 nan 8.230 nan 0.000 0.604 115 P HA -0.120 nan 4.420 nan 0.000 0.219 115 P C 0.148 177.460 177.300 0.021 0.000 1.146 115 P CA 1.659 64.775 63.100 0.028 0.000 0.808 115 P CB 0.019 31.733 31.700 0.022 0.000 0.779 116 K N 0.780 121.190 120.400 0.018 0.000 3.147 116 K HA 0.159 4.479 4.320 0.000 0.000 0.214 116 K C 0.272 176.869 176.600 -0.004 0.000 1.221 116 K CA -0.342 55.950 56.287 0.009 0.000 1.117 116 K CB 0.300 32.800 32.500 0.001 0.000 1.278 116 K HN 0.274 nan 8.250 nan 0.000 0.479 117 K N 0.448 120.842 120.400 -0.009 0.000 2.174 117 K HA 0.392 4.712 4.320 0.000 0.000 0.275 117 K C -0.370 176.190 176.600 -0.067 0.000 1.015 117 K CA -0.460 55.777 56.287 -0.084 0.000 0.933 117 K CB 1.278 33.688 32.500 -0.150 0.000 1.025 117 K HN 0.009 nan 8.250 nan 0.000 0.463 118 I N 2.397 122.880 120.570 -0.144 0.000 2.378 118 I HA 0.270 4.440 4.170 0.000 0.000 0.291 118 I C -0.792 175.282 176.117 -0.072 0.000 0.992 118 I CA -0.872 60.422 61.300 -0.009 0.000 1.154 118 I CB 0.785 38.798 38.000 0.022 0.000 1.315 118 I HN 0.534 nan 8.210 nan 0.000 0.448 119 W N 4.235 125.478 121.300 -0.095 0.000 2.381 119 W HA 0.294 4.954 4.660 0.000 0.000 0.329 119 W C 1.841 178.306 176.519 -0.090 0.000 1.157 119 W CA -0.193 57.084 57.345 -0.114 0.000 1.240 119 W CB 0.837 30.192 29.460 -0.175 0.000 1.199 119 W HN 0.527 nan 8.180 nan 0.000 0.579 120 S N 1.752 117.554 115.700 0.169 0.000 2.408 120 S HA -0.268 4.202 4.470 0.000 0.000 0.241 120 S C 0.250 175.008 174.600 0.264 0.000 1.080 120 S CA 2.456 60.769 58.200 0.188 0.000 1.109 120 S CB -0.475 62.892 63.200 0.279 0.000 0.966 120 S HN 0.440 nan 8.310 nan 0.000 0.449 121 Y N -2.946 117.415 120.300 0.102 0.000 2.889 121 Y HA 0.529 5.079 4.550 0.000 0.000 0.317 121 Y C 0.664 176.565 175.900 0.002 0.000 1.414 121 Y CA -0.699 57.419 58.100 0.031 0.000 1.091 121 Y CB -0.064 38.393 38.460 -0.004 0.000 1.358 121 Y HN -0.002 nan 8.280 nan 0.000 0.487 122 N N 0.269 119.051 118.700 0.137 0.000 2.758 122 N HA -0.269 4.471 4.740 0.000 0.000 0.245 122 N C -0.472 174.979 175.510 -0.099 0.000 1.059 122 N CA 1.705 54.724 53.050 -0.052 0.000 0.900 122 N CB -0.403 37.956 38.487 -0.213 0.000 1.145 122 N HN 0.892 nan 8.380 nan 0.000 0.590 123 D N -0.697 119.690 120.400 -0.021 0.000 2.607 123 D HA 0.608 5.248 4.640 0.000 0.000 0.253 123 D C -0.489 175.838 176.300 0.044 0.000 1.171 123 D CA -0.226 53.781 54.000 0.011 0.000 1.084 123 D CB 1.720 42.581 40.800 0.103 0.000 1.203 123 D HN -0.144 nan 8.370 nan 0.000 0.629 124 V N 0.996 120.953 119.914 0.071 0.000 2.733 124 V HA 0.215 4.335 4.120 0.000 0.000 0.306 124 V C -0.812 175.362 176.094 0.134 0.000 1.084 124 V CA -0.810 61.543 62.300 0.088 0.000 0.905 124 V CB 1.744 33.595 31.823 0.046 0.000 1.010 124 V HN 0.498 nan 8.190 nan 0.000 0.424 125 Y N 3.266 123.579 120.300 0.021 0.000 2.334 125 Y HA 0.393 4.943 4.550 0.000 0.000 0.325 125 Y C 1.497 177.410 175.900 0.022 0.000 1.308 125 Y CA -0.169 57.942 58.100 0.018 0.000 1.389 125 Y CB 1.133 39.611 38.460 0.029 0.000 1.328 125 Y HN 0.655 nan 8.280 nan 0.000 0.532 126 I N 1.823 121.930 120.570 -0.771 0.000 2.479 126 I HA -0.375 3.795 4.170 0.000 0.000 0.258 126 I C 1.135 177.114 176.117 -0.230 0.000 1.165 126 I CA 1.745 62.722 61.300 -0.539 0.000 1.422 126 I CB -0.344 37.155 38.000 -0.835 0.000 1.087 126 I HN 0.669 nan 8.210 nan 0.000 0.441 127 N N 0.220 118.880 118.700 -0.067 0.000 2.353 127 N HA 0.067 4.807 4.740 0.000 0.000 0.185 127 N C 1.248 176.800 175.510 0.070 0.000 1.098 127 N CA 0.895 53.985 53.050 0.066 0.000 0.872 127 N CB 0.435 39.035 38.487 0.188 0.000 0.970 127 N HN 0.276 nan 8.380 nan 0.000 0.467 128 G N -0.826 108.013 108.800 0.066 0.000 2.195 128 G HA2 -0.255 3.705 3.960 0.000 0.000 0.224 128 G HA3 -0.255 3.705 3.960 0.000 0.000 0.224 128 G C -0.414 174.535 174.900 0.083 0.000 0.990 128 G CA -0.178 44.957 45.100 0.058 0.000 0.639 128 G HN 0.435 nan 8.290 nan 0.000 0.514 129 Q N 1.221 121.096 119.800 0.126 0.000 2.286 129 Q HA 0.384 4.724 4.340 0.000 0.000 0.257 129 Q C -2.462 173.610 176.000 0.119 0.000 0.941 129 Q CA -1.754 54.123 55.803 0.123 0.000 0.912 129 Q CB 1.029 29.851 28.738 0.140 0.000 1.192 129 Q HN 0.147 nan 8.270 nan 0.000 0.410 130 P HA -0.100 nan 4.420 nan 0.000 0.260 130 P C -0.593 176.745 177.300 0.065 0.000 1.172 130 P CA 0.403 63.540 63.100 0.062 0.000 0.760 130 P CB 0.281 32.004 31.700 0.038 0.000 0.773 131 T N 1.881 116.484 114.554 0.080 0.000 2.901 131 T HA 0.259 4.609 4.350 0.000 0.000 0.301 131 T C -0.099 174.646 174.700 0.075 0.000 1.012 131 T CA -0.695 61.455 62.100 0.083 0.000 1.135 131 T CB 0.453 69.389 68.868 0.113 0.000 0.936 131 T HN 0.246 nan 8.240 nan 0.000 0.539 132 Q N 1.460 121.288 119.800 0.047 0.000 2.375 132 Q HA 0.536 4.876 4.340 0.000 0.000 0.271 132 Q C 0.624 176.681 176.000 0.094 0.000 1.074 132 Q CA -0.718 55.081 55.803 -0.007 0.000 0.808 132 Q CB 2.238 30.782 28.738 -0.324 0.000 1.327 132 Q HN 0.961 nan 8.270 nan 0.000 0.441 133 G N 0.304 109.129 108.800 0.041 0.000 2.479 133 G HA2 0.257 4.217 3.960 0.000 0.000 0.275 133 G HA3 0.257 4.217 3.960 0.000 0.000 0.275 133 G C 0.638 175.617 174.900 0.131 0.000 1.421 133 G CA 0.184 45.314 45.100 0.050 0.000 1.059 133 G HN 0.630 nan 8.290 nan 0.000 0.535 134 G N -1.624 107.252 108.800 0.127 0.000 3.233 134 G HA2 0.224 4.184 3.960 0.000 0.000 0.234 134 G HA3 0.224 4.184 3.960 0.000 0.000 0.234 134 G C 0.284 175.399 174.900 0.358 0.000 1.137 134 G CA -0.250 44.976 45.100 0.211 0.000 0.763 134 G HN 0.274 nan 8.290 nan 0.000 0.549 135 F N 2.193 122.181 119.950 0.064 0.000 2.811 135 F HA 0.602 5.129 4.527 0.000 0.000 0.292 135 F C 1.021 176.895 175.800 0.123 0.000 1.240 135 F CA -1.305 56.727 58.000 0.053 0.000 1.422 135 F CB -0.607 38.410 39.000 0.029 0.000 1.045 135 F HN 0.159 nan 8.300 nan 0.000 0.512 136 A N -0.315 122.683 122.820 0.297 0.000 2.430 136 A HA 0.562 4.882 4.320 0.000 0.000 0.300 136 A C 1.201 178.860 177.584 0.125 0.000 1.124 136 A CA -0.594 51.588 52.037 0.242 0.000 0.766 136 A CB 1.408 20.589 19.000 0.302 0.000 1.328 136 A HN -0.066 nan 8.150 nan 0.000 0.424 137 K N -0.358 120.080 120.400 0.064 0.000 2.504 137 K HA 0.303 4.623 4.320 0.000 0.000 0.195 137 K C 0.401 177.006 176.600 0.009 0.000 1.036 137 K CA 1.189 57.490 56.287 0.023 0.000 0.984 137 K CB -0.170 32.330 32.500 -0.000 0.000 0.788 137 K HN 0.906 nan 8.250 nan 0.000 0.488 138 A N -1.023 121.803 122.820 0.011 0.000 2.586 138 A HA 0.573 4.894 4.320 0.000 0.000 0.290 138 A C -1.001 176.606 177.584 0.038 0.000 1.086 138 A CA -0.448 51.593 52.037 0.007 0.000 0.665 138 A CB 1.650 20.633 19.000 -0.029 0.000 1.279 138 A HN -0.026 nan 8.150 nan 0.000 0.423 139 T N -0.724 113.847 114.554 0.029 0.000 2.840 139 T HA 0.575 4.925 4.350 0.000 0.000 0.317 139 T C -1.910 172.788 174.700 -0.003 0.000 1.401 139 T CA -0.228 61.898 62.100 0.043 0.000 1.028 139 T CB 1.454 70.364 68.868 0.069 0.000 1.317 139 T HN 1.234 nan 8.240 nan 0.000 0.495 140 V N 3.575 123.478 119.914 -0.020 0.000 2.495 140 V HA 0.793 4.913 4.120 0.000 0.000 0.298 140 V C -0.510 175.532 176.094 -0.087 0.000 1.031 140 V CA -0.487 61.780 62.300 -0.055 0.000 0.871 140 V CB 1.624 33.413 31.823 -0.056 0.000 0.988 140 V HN 0.790 nan 8.190 nan 0.000 0.432 141 V N 3.289 123.158 119.914 -0.075 0.000 2.841 141 V HA 0.405 4.525 4.120 0.000 0.000 0.310 141 V C -0.277 175.836 176.094 0.031 0.000 1.090 141 V CA -0.901 61.373 62.300 -0.043 0.000 0.930 141 V CB 1.987 33.812 31.823 0.002 0.000 1.014 141 V HN 0.905 nan 8.190 nan 0.000 0.425 142 H N 3.503 122.603 119.070 0.050 0.000 3.001 142 H HA 0.005 4.561 4.556 0.000 0.000 0.334 142 H C 1.355 176.788 175.328 0.175 0.000 1.034 142 H CA 0.974 57.125 56.048 0.171 0.000 1.420 142 H CB 1.204 31.160 29.762 0.324 0.000 1.405 142 H HN 0.875 nan 8.280 nan 0.000 0.593 143 Q N 3.645 123.632 119.800 0.311 0.000 2.368 143 Q HA -0.177 4.163 4.340 0.000 0.000 0.210 143 Q C 1.476 177.706 176.000 0.385 0.000 0.982 143 Q CA 1.634 57.623 55.803 0.311 0.000 0.884 143 Q CB 0.015 28.949 28.738 0.327 0.000 0.933 143 Q HN 0.537 nan 8.270 nan 0.000 0.460 144 K N -0.191 120.471 120.400 0.437 0.000 2.432 144 K HA -0.004 4.316 4.320 0.000 0.000 0.196 144 K C -0.168 176.212 176.600 -0.367 0.000 1.038 144 K CA 0.460 56.729 56.287 -0.031 0.000 0.986 144 K CB 0.257 32.589 32.500 -0.280 0.000 0.782 144 K HN 0.236 nan 8.250 nan 0.000 0.485 145 F N 0.226 120.235 119.950 0.098 0.000 2.850 145 F HA 0.211 4.738 4.527 0.000 0.000 0.329 145 F C -0.659 175.155 175.800 0.023 0.000 1.182 145 F CA -0.699 57.325 58.000 0.041 0.000 1.270 145 F CB 1.194 40.209 39.000 0.025 0.000 0.979 145 F HN -0.328 nan 8.300 nan 0.000 0.506 146 V N 1.101 121.088 119.914 0.122 0.000 2.680 146 V HA 0.707 4.828 4.120 0.000 0.000 0.309 146 V C -0.454 175.742 176.094 0.171 0.000 1.052 146 V CA -1.163 61.142 62.300 0.010 0.000 0.908 146 V CB 2.288 33.892 31.823 -0.365 0.000 1.001 146 V HN -0.069 nan 8.190 nan 0.000 0.431 147 V N 0.930 120.937 119.914 0.155 0.000 2.709 147 V HA 0.571 4.691 4.120 0.000 0.000 0.308 147 V C -0.407 175.827 176.094 0.233 0.000 1.062 147 V CA -1.271 61.163 62.300 0.224 0.000 0.901 147 V CB 1.675 33.557 31.823 0.099 0.000 1.003 147 V HN 0.778 nan 8.190 nan 0.000 0.425 148 K N 4.307 124.877 120.400 0.284 0.000 2.419 148 K HA 0.305 4.625 4.320 0.000 0.000 0.282 148 K C -0.390 176.265 176.600 0.092 0.000 1.056 148 K CA -0.258 56.144 56.287 0.191 0.000 1.035 148 K CB 0.496 33.062 32.500 0.109 0.000 0.921 148 K HN 0.520 nan 8.250 nan 0.000 0.472 149 I N 5.980 126.596 120.570 0.077 0.000 2.517 149 I HA 0.067 4.237 4.170 0.000 0.000 0.285 149 I C -1.813 174.322 176.117 0.029 0.000 1.106 149 I CA -2.574 58.751 61.300 0.043 0.000 1.402 149 I CB -0.075 37.948 38.000 0.038 0.000 1.399 149 I HN 0.293 nan 8.210 nan 0.000 0.535 150 P HA -0.000 nan 4.420 nan 0.000 0.266 150 P C 0.970 178.272 177.300 0.004 0.000 1.193 150 P CA 0.020 63.123 63.100 0.004 0.000 0.770 150 P CB 0.879 32.575 31.700 -0.007 0.000 0.836 151 E N 1.969 122.170 120.200 0.001 0.000 2.035 151 E HA -0.233 4.117 4.350 0.000 0.000 0.204 151 E C 2.122 178.720 176.600 -0.002 0.000 1.025 151 E CA 2.042 58.442 56.400 0.001 0.000 0.835 151 E CB -0.802 28.897 29.700 -0.001 0.000 0.764 151 E HN 0.684 nan 8.360 nan 0.000 0.457 152 G N 0.472 109.268 108.800 -0.007 0.000 2.470 152 G HA2 -0.210 3.750 3.960 0.000 0.000 0.220 152 G HA3 -0.210 3.750 3.960 0.000 0.000 0.220 152 G C 0.799 175.694 174.900 -0.009 0.000 1.121 152 G CA 0.150 45.244 45.100 -0.009 0.000 0.766 152 G HN 0.226 nan 8.290 nan 0.000 0.553 153 M N 1.911 121.506 119.600 -0.008 0.000 2.269 153 M HA 0.438 4.918 4.480 0.000 0.000 0.350 153 M C 0.614 176.914 176.300 -0.000 0.000 1.429 153 M CA -0.471 54.825 55.300 -0.007 0.000 1.063 153 M CB 0.619 33.215 32.600 -0.006 0.000 1.841 153 M HN 0.156 nan 8.290 nan 0.000 0.455 154 A N 4.356 127.176 122.820 -0.001 0.000 2.407 154 A HA 0.324 4.644 4.320 0.000 0.000 0.248 154 A C 1.109 178.697 177.584 0.007 0.000 1.082 154 A CA -0.303 51.736 52.037 0.002 0.000 0.785 154 A CB 0.194 19.195 19.000 0.001 0.000 1.020 154 A HN 0.981 nan 8.150 nan 0.000 0.489 155 V N 0.353 120.272 119.914 0.008 0.000 2.261 155 V HA -0.221 3.899 4.120 0.000 0.000 0.246 155 V C 1.673 177.776 176.094 0.015 0.000 1.047 155 V CA 2.372 64.680 62.300 0.012 0.000 1.015 155 V CB -1.471 30.358 31.823 0.010 0.000 0.642 155 V HN 0.863 nan 8.190 nan 0.000 0.446 156 E N 0.407 120.615 120.200 0.013 0.000 2.478 156 E HA -0.093 4.257 4.350 0.000 0.000 0.198 156 E C 1.811 178.425 176.600 0.023 0.000 1.046 156 E CA 0.901 57.312 56.400 0.019 0.000 0.870 156 E CB -0.455 29.254 29.700 0.014 0.000 0.818 156 E HN 0.664 nan 8.360 nan 0.000 0.527 157 Q N 0.620 120.430 119.800 0.018 0.000 2.159 157 Q HA 0.285 4.625 4.340 0.000 0.000 0.194 157 Q C 2.009 178.021 176.000 0.021 0.000 0.968 157 Q CA 1.544 57.359 55.803 0.020 0.000 0.837 157 Q CB -0.486 28.259 28.738 0.011 0.000 0.920 157 Q HN 0.322 nan 8.270 nan 0.000 0.485 158 A N 0.018 122.848 122.820 0.017 0.000 2.225 158 A HA 0.062 4.382 4.320 0.000 0.000 0.215 158 A C 1.908 179.507 177.584 0.024 0.000 1.164 158 A CA 1.398 53.446 52.037 0.017 0.000 0.710 158 A CB -0.646 18.363 19.000 0.015 0.000 0.780 158 A HN 0.382 nan 8.150 nan 0.000 0.473 159 A N 0.768 123.605 122.820 0.028 0.000 1.903 159 A HA 0.100 4.420 4.320 0.000 0.000 0.213 159 A C 0.336 177.937 177.584 0.029 0.000 1.185 159 A CA 1.066 53.122 52.037 0.031 0.000 0.628 159 A CB -1.009 18.014 19.000 0.038 0.000 0.830 159 A HN 0.467 nan 8.150 nan 0.000 0.446 160 P HA -0.144 nan 4.420 nan 0.000 0.218 160 P C 1.085 178.411 177.300 0.043 0.000 1.148 160 P CA 0.879 64.002 63.100 0.039 0.000 0.822 160 P CB -0.154 31.573 31.700 0.045 0.000 0.784 161 L N -1.190 120.056 121.223 0.040 0.000 2.362 161 L HA -0.060 4.280 4.340 0.000 0.000 0.219 161 L C 2.554 179.440 176.870 0.026 0.000 1.134 161 L CA 1.324 56.186 54.840 0.037 0.000 0.807 161 L CB -1.415 40.660 42.059 0.027 0.000 0.927 161 L HN -0.073 nan 8.230 nan 0.000 0.447 162 L N -2.704 118.535 121.223 0.027 0.000 2.418 162 L HA -0.112 4.228 4.340 0.000 0.000 0.218 162 L C 2.188 179.080 176.870 0.036 0.000 1.125 162 L CA 0.334 55.190 54.840 0.026 0.000 0.835 162 L CB -0.126 41.952 42.059 0.032 0.000 0.953 162 L HN 0.440 nan 8.230 nan 0.000 0.454 163 C N -1.079 118.250 119.300 0.047 0.000 2.853 163 C HA 0.342 4.802 4.460 0.000 0.000 0.270 163 C C 2.854 177.887 174.990 0.071 0.000 2.026 163 C CA 0.605 59.671 59.018 0.080 0.000 1.864 163 C CB -0.175 27.628 27.740 0.106 0.000 1.431 163 C HN 0.406 nan 8.230 nan 0.000 0.769 164 A N 0.631 123.499 122.820 0.079 0.000 2.067 164 A HA 0.198 4.518 4.320 0.000 0.000 0.219 164 A C 2.146 179.778 177.584 0.081 0.000 1.158 164 A CA 2.003 54.090 52.037 0.084 0.000 0.661 164 A CB -1.250 17.805 19.000 0.091 0.000 0.801 164 A HN 0.800 nan 8.150 nan 0.000 0.452 165 G N 0.257 109.100 108.800 0.071 0.000 2.524 165 G HA2 -0.183 3.777 3.960 0.000 0.000 0.215 165 G HA3 -0.183 3.777 3.960 0.000 0.000 0.215 165 G C 1.497 176.448 174.900 0.084 0.000 1.239 165 G CA 1.999 47.144 45.100 0.076 0.000 0.798 165 G HN 0.715 nan 8.290 nan 0.000 0.557 166 V N -0.244 119.697 119.914 0.045 0.000 2.759 166 V HA -0.097 4.023 4.120 0.000 0.000 0.256 166 V C 2.757 178.875 176.094 0.040 0.000 1.080 166 V CA 2.174 64.505 62.300 0.051 0.000 1.101 166 V CB -1.376 30.439 31.823 -0.013 0.000 0.698 166 V HN 0.315 nan 8.190 nan 0.000 0.477 167 T N 0.357 114.926 114.554 0.024 0.000 2.821 167 T HA -0.086 4.264 4.350 0.000 0.000 0.267 167 T C 1.930 176.663 174.700 0.055 0.000 1.046 167 T CA 1.649 63.757 62.100 0.014 0.000 1.139 167 T CB -0.084 68.802 68.868 0.029 0.000 0.871 167 T HN 0.369 nan 8.240 nan 0.000 0.454 168 V N -0.024 119.938 119.914 0.079 0.000 2.331 168 V HA -0.047 4.073 4.120 0.000 0.000 0.242 168 V C 1.963 178.099 176.094 0.069 0.000 1.034 168 V CA 1.134 63.481 62.300 0.078 0.000 1.027 168 V CB -0.584 31.295 31.823 0.093 0.000 0.667 168 V HN 0.450 nan 8.190 nan 0.000 0.457 169 Y N 0.519 120.792 120.300 -0.045 0.000 2.315 169 Y HA -0.246 4.304 4.550 0.000 0.000 0.288 169 Y C 2.828 178.672 175.900 -0.094 0.000 1.154 169 Y CA 1.762 59.799 58.100 -0.105 0.000 1.229 169 Y CB -0.132 38.260 38.460 -0.114 0.000 0.980 169 Y HN 0.254 nan 8.280 nan 0.000 0.540 170 S N 0.231 115.972 115.700 0.068 0.000 2.348 170 S HA -0.110 4.360 4.470 0.000 0.000 0.221 170 S C -0.315 174.247 174.600 -0.063 0.000 1.033 170 S CA 1.574 59.772 58.200 -0.002 0.000 1.010 170 S CB -1.235 61.964 63.200 -0.001 0.000 0.891 170 S HN 0.424 nan 8.310 nan 0.000 0.442 171 P HA -0.045 nan 4.420 nan 0.000 0.216 171 P C 1.606 178.923 177.300 0.028 0.000 1.153 171 P CA 0.791 63.959 63.100 0.114 0.000 0.848 171 P CB -0.259 31.626 31.700 0.309 0.000 0.787 172 L N -0.197 120.951 121.223 -0.125 0.000 2.189 172 L HA -0.111 4.229 4.340 0.000 0.000 0.214 172 L C 2.562 179.223 176.870 -0.349 0.000 1.097 172 L CA 1.763 56.446 54.840 -0.263 0.000 0.764 172 L CB -1.776 40.086 42.059 -0.329 0.000 0.900 172 L HN 0.125 nan 8.230 nan 0.000 0.436 173 S N -2.242 113.201 115.700 -0.429 0.000 2.441 173 S HA -0.095 4.375 4.470 0.000 0.000 0.224 173 S C 1.991 176.447 174.600 -0.240 0.000 1.043 173 S CA 0.041 57.984 58.200 -0.428 0.000 0.948 173 S CB -0.077 62.780 63.200 -0.573 0.000 0.810 173 S HN 0.540 nan 8.310 nan 0.000 0.504 174 H N -0.537 118.329 119.070 -0.340 0.000 2.363 174 H HA 0.052 4.608 4.556 0.000 0.000 0.301 174 H C 0.650 175.696 175.328 -0.471 0.000 1.074 174 H CA 1.223 57.002 56.048 -0.448 0.000 1.354 174 H CB -0.240 29.128 29.762 -0.657 0.000 1.397 174 H HN 0.495 nan 8.280 nan 0.000 0.516 175 F N 0.528 120.318 119.950 -0.266 0.000 2.693 175 F HA 0.176 4.703 4.527 0.000 0.000 0.303 175 F C 1.694 177.369 175.800 -0.209 0.000 1.143 175 F CA 0.300 58.128 58.000 -0.287 0.000 1.389 175 F CB 0.345 39.244 39.000 -0.168 0.000 1.060 175 F HN 0.350 nan 8.300 nan 0.000 0.535 176 G N 0.864 109.606 108.800 -0.097 0.000 2.168 176 G HA2 -0.330 3.630 3.960 0.000 0.000 0.257 176 G HA3 -0.330 3.630 3.960 0.000 0.000 0.257 176 G C 0.674 175.547 174.900 -0.045 0.000 0.997 176 G CA 0.260 45.315 45.100 -0.075 0.000 0.708 176 G HN 0.477 nan 8.290 nan 0.000 0.520 177 L N -0.572 120.618 121.223 -0.055 0.000 2.672 177 L HA 0.244 4.585 4.340 0.000 0.000 0.236 177 L C 2.241 179.138 176.870 0.045 0.000 1.186 177 L CA 0.099 54.917 54.840 -0.036 0.000 0.977 177 L CB -0.019 41.929 42.059 -0.185 0.000 1.203 177 L HN 0.031 nan 8.230 nan 0.000 0.448 178 K N 1.055 121.436 120.400 -0.032 0.000 2.418 178 K HA -0.003 4.317 4.320 0.000 0.000 0.195 178 K C 0.787 177.437 176.600 0.084 0.000 1.035 178 K CA 0.162 56.414 56.287 -0.059 0.000 1.003 178 K CB 0.239 32.635 32.500 -0.174 0.000 0.793 178 K HN 0.368 nan 8.250 nan 0.000 0.494 179 Q N 2.742 122.611 119.800 0.114 0.000 2.286 179 Q HA 0.020 4.360 4.340 0.000 0.000 0.290 179 Q C -2.235 173.885 176.000 0.200 0.000 1.049 179 Q CA -1.358 54.512 55.803 0.111 0.000 0.923 179 Q CB 0.714 29.483 28.738 0.050 0.000 1.183 179 Q HN 0.004 nan 8.270 nan 0.000 0.383 180 P HA 0.018 nan 4.420 nan 0.000 0.269 180 P C 0.333 177.699 177.300 0.110 0.000 1.209 180 P CA 1.013 64.225 63.100 0.187 0.000 0.776 180 P CB 1.056 32.835 31.700 0.132 0.000 0.876 181 G N 1.702 110.571 108.800 0.116 0.000 2.424 181 G HA2 -0.196 3.764 3.960 0.000 0.000 0.207 181 G HA3 -0.196 3.764 3.960 0.000 0.000 0.207 181 G C 0.175 175.066 174.900 -0.016 0.000 1.061 181 G CA -0.262 44.867 45.100 0.047 0.000 0.657 181 G HN 0.491 nan 8.290 nan 0.000 0.508 182 L N 1.285 122.415 121.223 -0.155 0.000 2.554 182 L HA 0.215 4.555 4.340 0.000 0.000 0.293 182 L C 0.996 177.761 176.870 -0.176 0.000 1.252 182 L CA 0.448 55.136 54.840 -0.253 0.000 0.862 182 L CB 0.083 41.850 42.059 -0.488 0.000 1.113 182 L HN 0.281 nan 8.230 nan 0.000 0.510 183 R N 1.562 121.970 120.500 -0.152 0.000 2.295 183 R HA 0.546 4.886 4.340 0.000 0.000 0.324 183 R C 0.009 176.046 176.300 -0.438 0.000 0.968 183 R CA -0.352 55.666 56.100 -0.137 0.000 0.837 183 R CB 1.706 31.946 30.300 -0.099 0.000 1.133 183 R HN 0.802 nan 8.270 nan 0.000 0.450 184 G N 0.689 109.205 108.800 -0.473 0.000 2.519 184 G HA2 0.592 4.552 3.960 0.000 0.000 0.307 184 G HA3 0.592 4.552 3.960 0.000 0.000 0.307 184 G C -0.937 173.744 174.900 -0.366 0.000 1.266 184 G CA -0.773 43.736 45.100 -0.985 0.000 0.970 184 G HN 0.578 nan 8.290 nan 0.000 0.481 185 G N -0.127 108.474 108.800 -0.332 0.000 2.388 185 G HA2 0.537 4.497 3.960 0.000 0.000 0.330 185 G HA3 0.537 4.497 3.960 0.000 0.000 0.330 185 G C -0.673 174.206 174.900 -0.036 0.000 1.142 185 G CA -0.543 44.486 45.100 -0.118 0.000 0.908 185 G HN 0.466 nan 8.290 nan 0.000 0.473 186 I N 2.735 123.289 120.570 -0.027 0.000 2.405 186 I HA 0.198 4.368 4.170 0.000 0.000 0.280 186 I C -0.651 175.428 176.117 -0.063 0.000 1.027 186 I CA -0.766 60.532 61.300 -0.003 0.000 1.161 186 I CB 1.179 39.186 38.000 0.011 0.000 1.300 186 I HN 0.236 nan 8.210 nan 0.000 0.463 187 L N 6.767 127.934 121.223 -0.093 0.000 2.261 187 L HA 0.755 5.095 4.340 0.000 0.000 0.289 187 L C 0.349 177.115 176.870 -0.174 0.000 1.059 187 L CA 0.487 55.211 54.840 -0.193 0.000 0.816 187 L CB 0.632 42.483 42.059 -0.347 0.000 1.191 187 L HN 0.793 nan 8.230 nan 0.000 0.431 188 G N 4.911 113.623 108.800 -0.146 0.000 3.355 188 G HA2 -0.102 3.858 3.960 0.000 0.000 0.686 188 G HA3 -0.102 3.858 3.960 0.000 0.000 0.686 188 G C -0.807 174.069 174.900 -0.040 0.000 1.097 188 G CA -0.606 44.432 45.100 -0.104 0.000 0.881 188 G HN 0.602 nan 8.290 nan 0.000 0.550 189 L N 3.378 124.596 121.223 -0.009 0.000 2.959 189 L HA 0.406 4.746 4.340 0.000 0.000 0.236 189 L C 1.577 178.470 176.870 0.038 0.000 1.296 189 L CA 0.230 55.089 54.840 0.032 0.000 1.047 189 L CB 0.014 42.112 42.059 0.065 0.000 1.395 189 L HN 0.828 nan 8.230 nan 0.000 0.492 190 G N -0.193 108.618 108.800 0.019 0.000 3.224 190 G HA2 0.197 4.157 3.960 0.000 0.000 0.161 190 G HA3 0.197 4.157 3.960 0.000 0.000 0.161 190 G C 1.021 175.943 174.900 0.037 0.000 1.872 190 G CA 0.712 45.815 45.100 0.006 0.000 1.012 190 G HN 0.402 nan 8.290 nan 0.000 0.504 191 G N -1.279 107.548 108.800 0.045 0.000 2.559 191 G HA2 0.108 4.068 3.960 0.000 0.000 0.209 191 G HA3 0.108 4.068 3.960 0.000 0.000 0.209 191 G C 1.682 176.636 174.900 0.091 0.000 1.151 191 G CA 1.160 46.293 45.100 0.056 0.000 0.824 191 G HN 0.395 nan 8.290 nan 0.000 0.543 192 V N 1.756 121.721 119.914 0.085 0.000 2.427 192 V HA 0.014 4.134 4.120 0.000 0.000 0.248 192 V C 3.066 179.212 176.094 0.087 0.000 1.051 192 V CA 1.792 64.145 62.300 0.088 0.000 1.048 192 V CB -1.168 30.701 31.823 0.078 0.000 0.666 192 V HN 0.351 nan 8.190 nan 0.000 0.456 193 G N -0.411 108.433 108.800 0.073 0.000 2.433 193 G HA2 -0.324 3.636 3.960 0.000 0.000 0.216 193 G HA3 -0.324 3.636 3.960 0.000 0.000 0.216 193 G C 1.581 176.526 174.900 0.075 0.000 1.186 193 G CA 1.103 46.239 45.100 0.060 0.000 0.779 193 G HN 0.577 nan 8.290 nan 0.000 0.543 194 H N 0.022 119.077 119.070 -0.026 0.000 2.353 194 H HA -0.055 4.501 4.556 0.000 0.000 0.298 194 H C 2.457 177.764 175.328 -0.034 0.000 1.103 194 H CA 1.693 57.700 56.048 -0.068 0.000 1.293 194 H CB -0.013 29.681 29.762 -0.112 0.000 1.372 194 H HN 0.159 nan 8.280 nan 0.000 0.501 195 M N -0.116 119.583 119.600 0.166 0.000 2.254 195 M HA -0.042 4.438 4.480 0.000 0.000 0.265 195 M C 2.669 179.019 176.300 0.083 0.000 1.066 195 M CA 0.933 56.306 55.300 0.122 0.000 1.123 195 M CB -1.337 31.344 32.600 0.134 0.000 1.388 195 M HN 0.340 nan 8.290 nan 0.000 0.425 196 G N 0.194 109.040 108.800 0.077 0.000 2.459 196 G HA2 -0.157 3.803 3.960 0.000 0.000 0.217 196 G HA3 -0.157 3.803 3.960 0.000 0.000 0.217 196 G C 1.416 176.353 174.900 0.061 0.000 1.183 196 G CA 1.134 46.281 45.100 0.079 0.000 0.776 196 G HN 0.375 nan 8.290 nan 0.000 0.552 197 V N 0.459 120.381 119.914 0.015 0.000 3.026 197 V HA -0.092 4.028 4.120 0.000 0.000 0.265 197 V C 2.427 178.501 176.094 -0.033 0.000 1.121 197 V CA 1.895 64.183 62.300 -0.021 0.000 1.142 197 V CB -0.427 31.346 31.823 -0.084 0.000 0.730 197 V HN 0.388 nan 8.190 nan 0.000 0.503 198 K N -0.233 120.158 120.400 -0.016 0.000 2.225 198 K HA 0.271 4.592 4.320 0.000 0.000 0.204 198 K C 2.026 178.669 176.600 0.072 0.000 1.047 198 K CA 0.565 56.851 56.287 -0.001 0.000 0.970 198 K CB 0.030 32.526 32.500 -0.007 0.000 0.939 198 K HN 0.289 nan 8.250 nan 0.000 0.472 199 I N 1.644 122.294 120.570 0.133 0.000 2.315 199 I HA -0.214 3.956 4.170 0.000 0.000 0.248 199 I C 2.477 178.660 176.117 0.111 0.000 1.117 199 I CA 0.830 62.283 61.300 0.255 0.000 1.404 199 I CB -0.218 37.940 38.000 0.263 0.000 1.071 199 I HN 0.143 nan 8.210 nan 0.000 0.419 200 A N 0.716 123.548 122.820 0.019 0.000 1.855 200 A HA -0.251 4.069 4.320 0.000 0.000 0.215 200 A C 2.261 179.798 177.584 -0.078 0.000 1.191 200 A CA 1.800 53.777 52.037 -0.101 0.000 0.613 200 A CB -0.487 18.594 19.000 0.134 0.000 0.829 200 A HN 0.176 nan 8.150 nan 0.000 0.442 201 K N 0.153 120.568 120.400 0.026 0.000 2.103 201 K HA -0.044 4.276 4.320 0.000 0.000 0.207 201 K C 1.903 178.529 176.600 0.044 0.000 1.048 201 K CA 1.624 57.934 56.287 0.038 0.000 0.930 201 K CB -0.544 31.963 32.500 0.011 0.000 0.716 201 K HN 0.381 nan 8.250 nan 0.000 0.444 202 A N -0.226 122.631 122.820 0.063 0.000 1.968 202 A HA -0.065 4.255 4.320 0.000 0.000 0.217 202 A C 1.950 179.636 177.584 0.170 0.000 1.169 202 A CA 1.442 53.532 52.037 0.088 0.000 0.638 202 A CB -0.391 18.653 19.000 0.074 0.000 0.812 202 A HN 0.344 nan 8.150 nan 0.000 0.446 203 M N -1.049 118.638 119.600 0.145 0.000 2.619 203 M HA 0.150 4.630 4.480 0.000 0.000 0.251 203 M C 1.109 177.472 176.300 0.105 0.000 1.106 203 M CA 1.001 56.351 55.300 0.082 0.000 1.086 203 M CB 0.202 32.661 32.600 -0.235 0.000 1.465 203 M HN 0.599 nan 8.290 nan 0.000 0.506 204 G N 0.921 109.792 108.800 0.119 0.000 2.270 204 G HA2 -0.186 3.774 3.960 0.000 0.000 0.224 204 G HA3 -0.186 3.774 3.960 0.000 0.000 0.224 204 G C -0.474 174.616 174.900 0.317 0.000 1.079 204 G CA -0.588 44.622 45.100 0.183 0.000 0.807 204 G HN 0.611 nan 8.290 nan 0.000 0.492 205 H N -0.587 118.553 119.070 0.116 0.000 2.533 205 H HA 0.429 4.985 4.556 0.000 0.000 0.343 205 H C -0.078 175.316 175.328 0.110 0.000 1.160 205 H CA -0.905 55.223 56.048 0.135 0.000 1.218 205 H CB 1.472 31.349 29.762 0.192 0.000 1.566 205 H HN 0.285 nan 8.280 nan 0.000 0.522 206 H N 2.637 121.786 119.070 0.133 0.000 2.782 206 H HA 0.148 4.704 4.556 0.000 0.000 0.285 206 H C -1.185 174.169 175.328 0.044 0.000 1.093 206 H CA -0.365 55.719 56.048 0.060 0.000 1.410 206 H CB 0.191 29.958 29.762 0.008 0.000 1.439 206 H HN 0.208 nan 8.280 nan 0.000 0.469 207 V N 6.298 126.030 119.914 -0.304 0.000 2.347 207 V HA 0.139 4.259 4.120 0.000 0.000 0.280 207 V C 0.181 176.109 176.094 -0.276 0.000 1.021 207 V CA -0.590 61.601 62.300 -0.181 0.000 0.847 207 V CB 1.501 33.293 31.823 -0.050 0.000 0.990 207 V HN 0.814 nan 8.190 nan 0.000 0.444 208 T N 4.787 119.250 114.554 -0.152 0.000 2.756 208 T HA 0.466 4.816 4.350 0.000 0.000 0.290 208 T C -0.147 174.512 174.700 -0.068 0.000 0.985 208 T CA -0.349 61.703 62.100 -0.079 0.000 0.955 208 T CB 1.380 70.256 68.868 0.013 0.000 0.930 208 T HN 0.307 nan 8.240 nan 0.000 0.451 209 V N 5.518 125.395 119.914 -0.062 0.000 2.432 209 V HA 0.414 4.534 4.120 0.000 0.000 0.275 209 V C 0.166 176.071 176.094 -0.314 0.000 1.043 209 V CA -0.682 61.553 62.300 -0.109 0.000 0.925 209 V CB 0.745 32.576 31.823 0.013 0.000 0.985 209 V HN 0.773 nan 8.190 nan 0.000 0.466 210 I N 4.111 124.525 120.570 -0.260 0.000 2.412 210 I HA 0.592 4.762 4.170 0.000 0.000 0.296 210 I C 0.442 176.370 176.117 -0.315 0.000 0.987 210 I CA 0.367 61.497 61.300 -0.284 0.000 1.180 210 I CB 1.824 39.773 38.000 -0.086 0.000 1.340 210 I HN 0.714 nan 8.210 nan 0.000 0.455 211 S N 2.559 118.047 115.700 -0.355 0.000 3.952 211 S HA 0.522 4.992 4.470 0.000 0.000 0.293 211 S C 0.290 174.857 174.600 -0.055 0.000 1.090 211 S CA 0.392 58.483 58.200 -0.181 0.000 1.264 211 S CB 1.093 64.212 63.200 -0.135 0.000 1.393 211 S HN 0.713 nan 8.310 nan 0.000 0.757 212 S N -0.332 115.382 115.700 0.023 0.000 2.760 212 S HA 0.448 4.918 4.470 0.000 0.000 0.263 212 S C -0.120 174.531 174.600 0.085 0.000 1.007 212 S CA 0.208 58.440 58.200 0.053 0.000 1.358 212 S CB 0.187 63.414 63.200 0.045 0.000 1.228 212 S HN 0.686 nan 8.310 nan 0.000 0.684 213 S N 0.494 116.274 115.700 0.134 0.000 2.588 213 S HA 0.481 4.951 4.470 0.000 0.000 0.269 213 S C -1.074 173.655 174.600 0.215 0.000 1.157 213 S CA -0.595 57.689 58.200 0.140 0.000 0.824 213 S CB 1.034 64.293 63.200 0.097 0.000 1.126 213 S HN 0.191 nan 8.310 nan 0.000 0.464 214 N N 1.618 120.397 118.700 0.131 0.000 2.421 214 N HA 0.102 4.842 4.740 0.000 0.000 0.201 214 N C 0.783 176.271 175.510 -0.036 0.000 1.198 214 N CA 0.122 53.201 53.050 0.049 0.000 0.838 214 N CB 0.156 38.656 38.487 0.021 0.000 1.011 214 N HN 0.484 nan 8.380 nan 0.000 0.463 215 K N 0.677 121.091 120.400 0.024 0.000 2.116 215 K HA 0.051 4.371 4.320 0.000 0.000 0.203 215 K C 1.140 177.729 176.600 -0.018 0.000 1.052 215 K CA 0.720 57.014 56.287 0.011 0.000 0.952 215 K CB 0.236 32.766 32.500 0.050 0.000 0.729 215 K HN -0.042 nan 8.250 nan 0.000 0.446 216 K N 1.008 121.411 120.400 0.004 0.000 2.476 216 K HA 0.095 4.415 4.320 0.000 0.000 0.196 216 K C 1.493 177.896 176.600 -0.328 0.000 1.025 216 K CA 0.114 56.399 56.287 -0.003 0.000 1.138 216 K CB 0.274 32.905 32.500 0.219 0.000 0.860 216 K HN 0.104 nan 8.250 nan 0.000 0.515 217 R N 1.162 121.281 120.500 -0.635 0.000 2.061 217 R HA -0.106 4.234 4.340 0.000 0.000 0.230 217 R C 1.976 178.082 176.300 -0.324 0.000 1.140 217 R CA 1.119 56.746 56.100 -0.787 0.000 0.940 217 R CB -0.201 29.766 30.300 -0.555 0.000 0.839 217 R HN 0.347 nan 8.270 nan 0.000 0.429 218 E N 1.017 121.112 120.200 -0.175 0.000 2.097 218 E HA -0.240 4.110 4.350 0.000 0.000 0.196 218 E C 1.828 178.410 176.600 -0.029 0.000 1.000 218 E CA 1.414 57.771 56.400 -0.072 0.000 0.804 218 E CB 0.036 29.721 29.700 -0.026 0.000 0.740 218 E HN 0.362 nan 8.360 nan 0.000 0.454 219 E N -0.246 119.950 120.200 -0.007 0.000 2.031 219 E HA -0.175 4.175 4.350 0.000 0.000 0.193 219 E C 1.985 178.558 176.600 -0.046 0.000 0.994 219 E CA 1.115 57.533 56.400 0.030 0.000 0.800 219 E CB -0.154 29.586 29.700 0.067 0.000 0.752 219 E HN 0.270 nan 8.360 nan 0.000 0.447 220 A N 0.692 123.492 122.820 -0.033 0.000 1.930 220 A HA -0.087 4.233 4.320 0.000 0.000 0.217 220 A C 2.151 179.727 177.584 -0.013 0.000 1.175 220 A CA 1.054 53.095 52.037 0.007 0.000 0.627 220 A CB -0.376 18.744 19.000 0.199 0.000 0.815 220 A HN 0.284 nan 8.150 nan 0.000 0.443 221 L N -1.930 119.271 121.223 -0.038 0.000 2.145 221 L HA -0.027 4.313 4.340 0.000 0.000 0.201 221 L C 2.843 179.695 176.870 -0.030 0.000 1.075 221 L CA 0.763 55.586 54.840 -0.029 0.000 0.773 221 L CB -0.526 41.506 42.059 -0.045 0.000 0.936 221 L HN 0.328 nan 8.230 nan 0.000 0.451 222 Q N 0.285 120.068 119.800 -0.029 0.000 1.990 222 Q HA -0.119 4.221 4.340 0.000 0.000 0.195 222 Q C 1.701 177.699 176.000 -0.003 0.000 0.977 222 Q CA 1.361 57.158 55.803 -0.011 0.000 0.828 222 Q CB 0.011 28.748 28.738 -0.001 0.000 0.896 222 Q HN 0.383 nan 8.270 nan 0.000 0.447 223 D N 0.220 120.628 120.400 0.014 0.000 2.269 223 D HA -0.044 4.596 4.640 0.000 0.000 0.208 223 D C 1.724 177.984 176.300 -0.067 0.000 0.963 223 D CA 0.678 54.698 54.000 0.033 0.000 0.864 223 D CB 0.385 41.284 40.800 0.166 0.000 0.936 223 D HN 0.205 nan 8.370 nan 0.000 0.505 224 L N -1.108 120.044 121.223 -0.117 0.000 2.642 224 L HA 0.219 4.559 4.340 0.000 0.000 0.233 224 L C 1.263 178.072 176.870 -0.102 0.000 1.077 224 L CA 0.288 55.022 54.840 -0.177 0.000 0.879 224 L CB 0.498 42.415 42.059 -0.238 0.000 1.151 224 L HN 0.018 nan 8.230 nan 0.000 0.495 225 G N 1.329 110.092 108.800 -0.061 0.000 2.198 225 G HA2 -0.263 3.698 3.960 0.000 0.000 0.257 225 G HA3 -0.263 3.698 3.960 0.000 0.000 0.257 225 G C 0.349 175.223 174.900 -0.043 0.000 1.042 225 G CA 0.195 45.270 45.100 -0.041 0.000 0.791 225 G HN 0.469 nan 8.290 nan 0.000 0.502 226 A N -0.056 122.739 122.820 -0.042 0.000 2.407 226 A HA 0.520 4.840 4.320 0.000 0.000 0.248 226 A C 0.425 177.975 177.584 -0.057 0.000 1.082 226 A CA -0.037 51.970 52.037 -0.050 0.000 0.785 226 A CB 0.414 19.407 19.000 -0.013 0.000 1.020 226 A HN 0.364 nan 8.150 nan 0.000 0.489 227 D N 1.959 122.274 120.400 -0.142 0.000 2.365 227 D HA 0.314 4.954 4.640 0.000 0.000 0.237 227 D C -0.397 175.855 176.300 -0.081 0.000 1.190 227 D CA 0.591 54.503 54.000 -0.147 0.000 0.867 227 D CB 0.561 41.136 40.800 -0.376 0.000 1.050 227 D HN 0.637 nan 8.370 nan 0.000 0.491 228 D N 0.770 121.186 120.400 0.026 0.000 11.041 228 D HA -0.281 4.359 4.640 0.000 0.000 0.359 228 D C -1.523 174.861 176.300 0.141 0.000 3.108 228 D CA 0.909 54.964 54.000 0.091 0.000 2.632 228 D CB -0.004 40.856 40.800 0.100 0.000 1.139 228 D HN 0.435 nan 8.370 nan 0.000 0.931 229 Y N 1.555 121.858 120.300 0.004 0.000 2.350 229 Y HA 0.522 5.072 4.550 0.000 0.000 0.338 229 Y C -0.483 175.429 175.900 0.019 0.000 0.961 229 Y CA -0.660 57.444 58.100 0.007 0.000 1.100 229 Y CB 1.288 39.750 38.460 0.003 0.000 1.179 229 Y HN 0.351 nan 8.280 nan 0.000 0.454 230 V N 4.809 124.619 119.914 -0.172 0.000 2.555 230 V HA 0.548 4.668 4.120 0.000 0.000 0.302 230 V C -0.556 175.420 176.094 -0.196 0.000 1.038 230 V CA -1.038 61.203 62.300 -0.099 0.000 0.887 230 V CB 1.572 33.363 31.823 -0.053 0.000 0.991 230 V HN 0.571 nan 8.190 nan 0.000 0.434 231 I N 4.224 124.769 120.570 -0.042 0.000 2.416 231 I HA 0.276 4.446 4.170 0.000 0.000 0.288 231 I C 1.773 177.889 176.117 -0.001 0.000 1.051 231 I CA 0.375 61.666 61.300 -0.014 0.000 1.375 231 I CB 0.712 38.747 38.000 0.059 0.000 1.407 231 I HN 0.936 nan 8.210 nan 0.000 0.516 232 G N 4.181 112.998 108.800 0.028 0.000 2.537 232 G HA2 -0.175 3.785 3.960 0.000 0.000 0.220 232 G HA3 -0.175 3.785 3.960 0.000 0.000 0.220 232 G C 1.190 176.111 174.900 0.035 0.000 1.111 232 G CA 0.510 45.668 45.100 0.096 0.000 0.748 232 G HN 0.614 nan 8.290 nan 0.000 0.564 233 S N -0.631 115.088 115.700 0.032 0.000 2.524 233 S HA 0.086 4.556 4.470 0.000 0.000 0.215 233 S C 0.426 175.032 174.600 0.010 0.000 0.986 233 S CA -0.355 57.856 58.200 0.018 0.000 0.911 233 S CB 0.347 63.567 63.200 0.033 0.000 0.805 233 S HN 0.400 nan 8.310 nan 0.000 0.501 234 D N 2.099 122.506 120.400 0.013 0.000 2.470 234 D HA 0.135 4.776 4.640 0.000 0.000 0.226 234 D C 1.313 177.611 176.300 -0.003 0.000 1.196 234 D CA -0.019 53.988 54.000 0.012 0.000 0.979 234 D CB 0.230 41.045 40.800 0.025 0.000 1.059 234 D HN -0.043 nan 8.370 nan 0.000 0.515 235 Q N 2.226 122.020 119.800 -0.010 0.000 2.268 235 Q HA -0.239 4.101 4.340 0.000 0.000 0.210 235 Q C 1.637 177.627 176.000 -0.017 0.000 0.988 235 Q CA 1.316 57.106 55.803 -0.021 0.000 0.883 235 Q CB -0.086 28.641 28.738 -0.019 0.000 0.911 235 Q HN 0.669 nan 8.270 nan 0.000 0.430 236 A N 1.459 124.275 122.820 -0.007 0.000 1.828 236 A HA -0.204 4.116 4.320 0.000 0.000 0.215 236 A C 2.032 179.613 177.584 -0.005 0.000 1.203 236 A CA 1.698 53.733 52.037 -0.004 0.000 0.614 236 A CB -0.436 18.565 19.000 0.003 0.000 0.844 236 A HN 0.268 nan 8.150 nan 0.000 0.445 237 K N -0.916 119.485 120.400 0.001 0.000 2.283 237 K HA 0.028 4.348 4.320 0.000 0.000 0.202 237 K C 1.917 178.512 176.600 -0.009 0.000 1.048 237 K CA 0.954 57.242 56.287 0.002 0.000 0.948 237 K CB -0.174 32.336 32.500 0.016 0.000 0.742 237 K HN 0.375 nan 8.250 nan 0.000 0.458 238 M N 0.287 119.875 119.600 -0.019 0.000 2.374 238 M HA -0.071 4.409 4.480 0.000 0.000 0.264 238 M C 1.541 177.815 176.300 -0.045 0.000 1.067 238 M CA 1.441 56.719 55.300 -0.037 0.000 1.103 238 M CB -0.208 32.359 32.600 -0.055 0.000 1.402 238 M HN -0.027 nan 8.290 nan 0.000 0.444 239 S N -0.365 115.314 115.700 -0.035 0.000 2.503 239 S HA 0.026 4.496 4.470 0.000 0.000 0.215 239 S C 1.452 176.035 174.600 -0.029 0.000 1.003 239 S CA 0.204 58.383 58.200 -0.035 0.000 0.910 239 S CB 0.132 63.314 63.200 -0.030 0.000 0.790 239 S HN 0.494 nan 8.310 nan 0.000 0.514 240 E N 0.834 121.021 120.200 -0.023 0.000 2.358 240 E HA 0.072 4.422 4.350 0.000 0.000 0.195 240 E C 1.071 177.655 176.600 -0.027 0.000 1.010 240 E CA 0.435 56.822 56.400 -0.021 0.000 0.856 240 E CB -0.020 29.671 29.700 -0.014 0.000 0.795 240 E HN 0.235 nan 8.360 nan 0.000 0.504 241 L N 0.122 121.329 121.223 -0.027 0.000 2.509 241 L HA 0.128 4.468 4.340 0.000 0.000 0.222 241 L C 2.018 178.865 176.870 -0.038 0.000 1.123 241 L CA 0.437 55.258 54.840 -0.031 0.000 0.856 241 L CB -0.187 41.859 42.059 -0.022 0.000 0.985 241 L HN 0.040 nan 8.230 nan 0.000 0.456 242 A N -1.067 121.729 122.820 -0.039 0.000 2.183 242 A HA -0.297 4.024 4.320 0.000 0.000 0.224 242 A C 1.490 179.052 177.584 -0.037 0.000 1.169 242 A CA 2.282 54.295 52.037 -0.040 0.000 0.674 242 A CB -0.379 18.599 19.000 -0.037 0.000 0.812 242 A HN 0.511 nan 8.150 nan 0.000 0.481 243 D N -2.269 118.108 120.400 -0.039 0.000 3.484 243 D HA 0.078 4.718 4.640 0.000 0.000 0.315 243 D C 0.768 177.041 176.300 -0.045 0.000 1.516 243 D CA 0.782 54.759 54.000 -0.038 0.000 0.755 243 D CB -0.133 40.648 40.800 -0.032 0.000 1.306 243 D HN 0.404 nan 8.370 nan 0.000 0.615 244 S N -1.024 114.643 115.700 -0.054 0.000 2.514 244 S HA 0.256 4.726 4.470 0.000 0.000 0.223 244 S C 0.957 175.508 174.600 -0.082 0.000 1.046 244 S CA -0.201 57.958 58.200 -0.069 0.000 0.914 244 S CB 0.372 63.524 63.200 -0.080 0.000 0.807 244 S HN 0.171 nan 8.310 nan 0.000 0.497 245 L N 2.897 124.069 121.223 -0.084 0.000 2.305 245 L HA 0.376 4.716 4.340 0.000 0.000 0.281 245 L C 0.597 177.398 176.870 -0.115 0.000 1.085 245 L CA -0.403 54.361 54.840 -0.127 0.000 0.813 245 L CB 0.685 42.661 42.059 -0.139 0.000 1.157 245 L HN 0.169 nan 8.230 nan 0.000 0.436 246 D N 2.172 122.489 120.400 -0.139 0.000 2.269 246 D HA -0.051 4.589 4.640 0.000 0.000 0.208 246 D C -0.333 176.014 176.300 0.078 0.000 0.963 246 D CA 1.418 55.403 54.000 -0.026 0.000 0.864 246 D CB 0.326 41.151 40.800 0.042 0.000 0.936 246 D HN 0.540 nan 8.370 nan 0.000 0.505 247 Y N -3.035 117.242 120.300 -0.038 0.000 2.677 247 Y HA 0.500 5.050 4.550 0.000 0.000 0.334 247 Y C -1.683 174.209 175.900 -0.012 0.000 1.196 247 Y CA -1.310 56.766 58.100 -0.040 0.000 1.059 247 Y CB 1.093 39.532 38.460 -0.035 0.000 1.315 247 Y HN -0.363 nan 8.280 nan 0.000 0.455 248 V N 3.504 123.528 119.914 0.184 0.000 2.569 248 V HA 0.348 4.468 4.120 0.000 0.000 0.301 248 V C -0.839 175.361 176.094 0.176 0.000 1.044 248 V CA -0.699 61.674 62.300 0.121 0.000 0.874 248 V CB 1.855 33.709 31.823 0.052 0.000 1.002 248 V HN 0.648 nan 8.190 nan 0.000 0.424 249 I N 4.360 125.048 120.570 0.196 0.000 2.269 249 I HA 0.203 4.373 4.170 0.000 0.000 0.293 249 I C 0.438 176.581 176.117 0.043 0.000 1.106 249 I CA 0.299 61.676 61.300 0.128 0.000 1.248 249 I CB 0.663 38.757 38.000 0.156 0.000 1.444 249 I HN 0.666 nan 8.210 nan 0.000 0.497 250 D N 5.171 125.584 120.400 0.021 0.000 2.336 250 D HA 0.126 4.766 4.640 0.000 0.000 0.249 250 D C 0.475 176.761 176.300 -0.023 0.000 1.213 250 D CA 0.042 54.022 54.000 -0.033 0.000 0.870 250 D CB 1.231 42.039 40.800 0.013 0.000 1.076 250 D HN 0.435 nan 8.370 nan 0.000 0.483 251 T N 2.110 116.618 114.554 -0.076 0.000 3.001 251 T HA 0.043 4.394 4.350 0.000 0.000 0.251 251 T C 0.888 175.532 174.700 -0.093 0.000 1.040 251 T CA -0.290 61.780 62.100 -0.050 0.000 0.985 251 T CB 0.569 69.418 68.868 -0.032 0.000 1.011 251 T HN 0.338 nan 8.240 nan 0.000 0.509 252 V N 5.926 125.711 119.914 -0.215 0.000 2.479 252 V HA 0.199 4.319 4.120 0.000 0.000 0.281 252 V C -1.382 174.637 176.094 -0.124 0.000 1.031 252 V CA -1.724 60.425 62.300 -0.251 0.000 1.038 252 V CB 1.357 32.875 31.823 -0.509 0.000 0.981 252 V HN 0.055 nan 8.190 nan 0.000 0.478 253 P HA 0.015 nan 4.420 nan 0.000 0.229 253 P C 0.497 177.833 177.300 0.059 0.000 1.160 253 P CA 0.610 63.719 63.100 0.016 0.000 0.777 253 P CB 0.477 32.176 31.700 -0.002 0.000 0.814 254 V N -0.142 119.815 119.914 0.072 0.000 2.975 254 V HA 0.282 4.402 4.120 0.000 0.000 0.318 254 V C -0.052 176.209 176.094 0.279 0.000 1.077 254 V CA -1.002 61.380 62.300 0.136 0.000 1.000 254 V CB 1.144 33.020 31.823 0.090 0.000 1.066 254 V HN 0.013 nan 8.190 nan 0.000 0.452 255 H N 4.632 123.793 119.070 0.152 0.000 3.004 255 H HA 0.341 4.897 4.556 0.000 0.000 0.316 255 H C -0.158 175.295 175.328 0.209 0.000 1.014 255 H CA 0.632 56.764 56.048 0.139 0.000 1.454 255 H CB -0.021 29.777 29.762 0.061 0.000 1.472 255 H HN 0.767 nan 8.280 nan 0.000 0.571 256 H N 1.775 120.737 119.070 -0.180 0.000 3.016 256 H HA 0.546 5.102 4.556 0.000 0.000 0.362 256 H C -1.176 174.103 175.328 -0.081 0.000 1.233 256 H CA -1.057 54.954 56.048 -0.062 0.000 1.124 256 H CB 0.651 30.399 29.762 -0.024 0.000 1.850 256 H HN 0.656 nan 8.280 nan 0.000 0.549 257 A N 2.223 125.089 122.820 0.078 0.000 2.404 257 A HA 0.309 4.629 4.320 0.000 0.000 0.273 257 A C 1.119 178.787 177.584 0.141 0.000 1.144 257 A CA -0.610 51.452 52.037 0.041 0.000 0.806 257 A CB -0.161 18.881 19.000 0.070 0.000 1.080 257 A HN 0.706 nan 8.150 nan 0.000 0.509 258 L N 1.624 122.869 121.223 0.037 0.000 2.179 258 L HA -0.093 4.247 4.340 0.000 0.000 0.208 258 L C 2.140 179.101 176.870 0.152 0.000 1.096 258 L CA 1.025 55.938 54.840 0.121 0.000 0.779 258 L CB -0.325 41.752 42.059 0.030 0.000 0.922 258 L HN 0.780 nan 8.230 nan 0.000 0.443 259 E N 0.261 120.505 120.200 0.074 0.000 2.085 259 E HA -0.199 4.151 4.350 0.000 0.000 0.194 259 E C -0.704 175.862 176.600 -0.056 0.000 0.994 259 E CA 1.370 57.786 56.400 0.027 0.000 0.801 259 E CB -1.196 28.513 29.700 0.014 0.000 0.743 259 E HN 0.411 nan 8.360 nan 0.000 0.453 260 P HA -0.156 nan 4.420 nan 0.000 0.219 260 P C 0.505 177.484 177.300 -0.534 0.000 1.146 260 P CA 1.248 64.094 63.100 -0.423 0.000 0.808 260 P CB -0.006 31.301 31.700 -0.654 0.000 0.779 261 Y N -1.820 118.485 120.300 0.009 0.000 2.436 261 Y HA 0.109 4.659 4.550 0.000 0.000 0.288 261 Y C 2.200 178.095 175.900 -0.008 0.000 1.112 261 Y CA 0.119 58.221 58.100 0.003 0.000 1.220 261 Y CB -0.676 37.800 38.460 0.027 0.000 1.073 261 Y HN -0.211 nan 8.280 nan 0.000 0.552 262 L N -0.809 120.475 121.223 0.102 0.000 2.131 262 L HA -0.221 4.119 4.340 0.000 0.000 0.210 262 L C 2.272 179.146 176.870 0.007 0.000 1.092 262 L CA 1.124 55.991 54.840 0.046 0.000 0.759 262 L CB -0.464 41.622 42.059 0.045 0.000 0.903 262 L HN 0.152 nan 8.230 nan 0.000 0.435 263 S N -0.055 115.630 115.700 -0.025 0.000 2.400 263 S HA -0.129 4.341 4.470 0.000 0.000 0.232 263 S C 1.763 176.338 174.600 -0.042 0.000 1.025 263 S CA 0.982 59.155 58.200 -0.045 0.000 0.993 263 S CB -0.160 62.991 63.200 -0.082 0.000 0.808 263 S HN 0.188 nan 8.310 nan 0.000 0.478 264 L N 0.654 121.856 121.223 -0.035 0.000 2.291 264 L HA 0.183 4.523 4.340 0.000 0.000 0.214 264 L C 0.516 177.368 176.870 -0.029 0.000 1.120 264 L CA 0.585 55.408 54.840 -0.029 0.000 0.799 264 L CB -1.311 40.744 42.059 -0.007 0.000 0.925 264 L HN 0.239 nan 8.230 nan 0.000 0.446 265 L N 0.422 121.633 121.223 -0.020 0.000 2.456 265 L HA 0.070 4.410 4.340 0.000 0.000 0.272 265 L C 1.018 177.871 176.870 -0.030 0.000 1.189 265 L CA 0.455 55.279 54.840 -0.026 0.000 0.846 265 L CB 0.259 42.310 42.059 -0.014 0.000 1.111 265 L HN 0.317 nan 8.230 nan 0.000 0.475 266 K N 3.378 123.757 120.400 -0.034 0.000 2.760 266 K HA 0.387 4.707 4.320 0.000 0.000 0.285 266 K C -0.100 176.485 176.600 -0.024 0.000 1.016 266 K CA -0.921 55.347 56.287 -0.031 0.000 1.087 266 K CB 0.242 32.720 32.500 -0.036 0.000 1.427 266 K HN 0.369 nan 8.250 nan 0.000 0.524 267 L N 1.924 123.134 121.223 -0.021 0.000 2.453 267 L HA -0.045 4.295 4.340 0.000 0.000 0.272 267 L C -0.489 176.370 176.870 -0.018 0.000 1.182 267 L CA 0.923 55.753 54.840 -0.018 0.000 0.858 267 L CB -0.134 41.915 42.059 -0.016 0.000 1.120 267 L HN 0.788 nan 8.230 nan 0.000 0.474 268 D N 2.254 122.642 120.400 -0.019 0.000 2.870 268 D HA -0.143 4.497 4.640 0.000 0.000 0.228 268 D C 0.362 176.646 176.300 -0.026 0.000 1.147 268 D CA 0.976 54.963 54.000 -0.022 0.000 0.757 268 D CB -1.214 39.577 40.800 -0.016 0.000 1.091 268 D HN 0.770 nan 8.370 nan 0.000 0.429 269 G N 0.087 108.871 108.800 -0.028 0.000 2.415 269 G HA2 0.432 4.392 3.960 0.000 0.000 0.269 269 G HA3 0.432 4.392 3.960 0.000 0.000 0.269 269 G C 0.023 174.894 174.900 -0.049 0.000 1.209 269 G CA -0.468 44.618 45.100 -0.023 0.000 0.835 269 G HN -0.067 nan 8.290 nan 0.000 0.534 270 K N 0.628 120.998 120.400 -0.050 0.000 2.182 270 K HA 0.471 4.791 4.320 0.000 0.000 0.262 270 K C -0.645 175.906 176.600 -0.081 0.000 0.957 270 K CA -0.556 55.649 56.287 -0.137 0.000 0.842 270 K CB 2.387 34.700 32.500 -0.312 0.000 1.099 270 K HN 0.321 nan 8.250 nan 0.000 0.438 271 L N 4.701 125.859 121.223 -0.108 0.000 2.283 271 L HA 0.465 4.805 4.340 0.000 0.000 0.281 271 L C -1.287 175.532 176.870 -0.085 0.000 1.033 271 L CA -0.264 54.544 54.840 -0.052 0.000 0.848 271 L CB 0.314 42.356 42.059 -0.027 0.000 1.226 271 L HN 0.613 nan 8.230 nan 0.000 0.429 272 I N 6.173 126.711 120.570 -0.053 0.000 2.291 272 I HA 0.199 4.370 4.170 0.000 0.000 0.292 272 I C -0.494 175.645 176.117 0.038 0.000 1.064 272 I CA -0.227 61.056 61.300 -0.028 0.000 1.269 272 I CB 0.632 38.629 38.000 -0.005 0.000 1.418 272 I HN 0.454 nan 8.210 nan 0.000 0.485 273 L N 7.459 128.709 121.223 0.045 0.000 2.290 273 L HA 0.375 4.715 4.340 0.000 0.000 0.284 273 L C 0.670 177.596 176.870 0.094 0.000 1.078 273 L CA 0.302 55.182 54.840 0.066 0.000 0.815 273 L CB 0.864 42.958 42.059 0.058 0.000 1.162 273 L HN 0.693 nan 8.230 nan 0.000 0.435 274 M N 2.266 121.920 119.600 0.090 0.000 2.414 274 M HA 0.270 4.750 4.480 0.000 0.000 0.393 274 M C 0.385 176.744 176.300 0.098 0.000 1.055 274 M CA -0.126 55.238 55.300 0.108 0.000 0.937 274 M CB 1.258 33.920 32.600 0.103 0.000 1.631 274 M HN 0.633 nan 8.290 nan 0.000 0.567 275 G N 0.633 109.481 108.800 0.080 0.000 2.415 275 G HA2 0.557 4.517 3.960 0.000 0.000 0.327 275 G HA3 0.557 4.517 3.960 0.000 0.000 0.327 275 G C -0.766 174.180 174.900 0.076 0.000 1.182 275 G CA -0.397 44.742 45.100 0.065 0.000 0.924 275 G HN -0.015 nan 8.290 nan 0.000 0.470 276 V N 3.337 123.287 119.914 0.060 0.000 2.372 276 V HA 0.164 4.284 4.120 0.000 0.000 0.261 276 V C -0.094 176.030 176.094 0.049 0.000 1.055 276 V CA -0.357 61.974 62.300 0.052 0.000 0.930 276 V CB 0.367 32.206 31.823 0.027 0.000 1.031 276 V HN 0.524 nan 8.190 nan 0.000 0.479 277 I N 5.243 125.861 120.570 0.079 0.000 2.291 277 I HA 0.177 4.347 4.170 0.000 0.000 0.292 277 I C 1.390 177.558 176.117 0.084 0.000 1.064 277 I CA 0.156 61.520 61.300 0.106 0.000 1.269 277 I CB 0.622 38.710 38.000 0.147 0.000 1.418 277 I HN 0.704 nan 8.210 nan 0.000 0.485 278 N N 3.331 122.064 118.700 0.055 0.000 2.609 278 N HA -0.109 4.631 4.740 0.000 0.000 0.190 278 N C 0.305 175.832 175.510 0.028 0.000 1.157 278 N CA 0.150 53.216 53.050 0.027 0.000 0.918 278 N CB -0.033 38.453 38.487 -0.000 0.000 0.978 278 N HN 0.550 nan 8.380 nan 0.000 0.448 279 N N -0.088 118.650 118.700 0.064 0.000 2.238 279 N HA 0.399 5.139 4.740 0.000 0.000 0.302 279 N C -3.000 172.601 175.510 0.150 0.000 1.072 279 N CA -2.425 50.642 53.050 0.027 0.000 0.792 279 N CB 1.651 40.057 38.487 -0.136 0.000 1.425 279 N HN -0.182 nan 8.380 nan 0.000 0.478 280 P HA 0.173 nan 4.420 nan 0.000 0.276 280 P C -0.456 177.014 177.300 0.283 0.000 1.264 280 P CA 0.014 63.212 63.100 0.162 0.000 0.769 280 P CB 0.365 32.123 31.700 0.096 0.000 0.840 281 L N 3.123 124.433 121.223 0.144 0.000 2.439 281 L HA 0.136 4.476 4.340 0.000 0.000 0.269 281 L C 1.075 177.980 176.870 0.058 0.000 1.179 281 L CA 0.082 54.896 54.840 -0.043 0.000 0.828 281 L CB 0.195 42.151 42.059 -0.171 0.000 1.106 281 L HN 0.338 nan 8.230 nan 0.000 0.467 282 Q N 2.314 122.122 119.800 0.013 0.000 2.248 282 Q HA 0.643 4.983 4.340 0.000 0.000 0.263 282 Q C -1.284 174.828 176.000 0.186 0.000 1.007 282 Q CA -0.598 55.258 55.803 0.087 0.000 0.877 282 Q CB 2.649 31.398 28.738 0.019 0.000 1.315 282 Q HN 0.476 nan 8.270 nan 0.000 0.454 283 F N -1.038 118.894 119.950 -0.031 0.000 2.615 283 F HA 0.482 5.009 4.527 0.000 0.000 0.312 283 F C -1.932 173.858 175.800 -0.017 0.000 1.119 283 F CA -1.417 56.567 58.000 -0.025 0.000 0.979 283 F CB 0.771 39.757 39.000 -0.024 0.000 1.266 283 F HN 0.314 nan 8.300 nan 0.000 0.444 284 L N 3.834 125.035 121.223 -0.037 0.000 2.278 284 L HA 0.392 4.732 4.340 0.000 0.000 0.287 284 L C 1.077 177.924 176.870 -0.039 0.000 1.072 284 L CA 0.487 55.258 54.840 -0.116 0.000 0.819 284 L CB 1.081 43.116 42.059 -0.039 0.000 1.176 284 L HN 0.953 nan 8.230 nan 0.000 0.435 285 T N 4.738 119.191 114.554 -0.169 0.000 2.803 285 T HA -0.069 4.281 4.350 0.000 0.000 0.269 285 T C -0.985 173.752 174.700 0.062 0.000 1.052 285 T CA 1.667 63.767 62.100 -0.001 0.000 1.136 285 T CB -0.858 67.955 68.868 -0.092 0.000 0.864 285 T HN 0.636 nan 8.240 nan 0.000 0.467 286 P HA 0.071 nan 4.420 nan 0.000 0.230 286 P C 1.099 178.418 177.300 0.032 0.000 1.158 286 P CA 0.674 63.787 63.100 0.022 0.000 0.769 286 P CB -0.046 31.654 31.700 0.001 0.000 0.807 287 L N -1.048 120.204 121.223 0.048 0.000 2.249 287 L HA 0.066 4.406 4.340 0.000 0.000 0.207 287 L C 2.694 179.594 176.870 0.049 0.000 1.090 287 L CA 0.983 55.848 54.840 0.042 0.000 0.802 287 L CB -1.068 41.015 42.059 0.040 0.000 0.947 287 L HN -0.150 nan 8.230 nan 0.000 0.453 288 L N -1.464 119.811 121.223 0.087 0.000 2.083 288 L HA -0.223 4.117 4.340 0.000 0.000 0.209 288 L C 2.478 179.372 176.870 0.040 0.000 1.083 288 L CA 1.359 56.236 54.840 0.062 0.000 0.752 288 L CB -0.450 41.665 42.059 0.094 0.000 0.899 288 L HN 0.327 nan 8.230 nan 0.000 0.433 289 M N -0.402 119.228 119.600 0.049 0.000 2.175 289 M HA -0.225 4.255 4.480 0.000 0.000 0.264 289 M C 2.376 178.686 176.300 0.017 0.000 1.063 289 M CA 1.586 56.904 55.300 0.030 0.000 1.119 289 M CB -0.286 32.332 32.600 0.030 0.000 1.377 289 M HN 0.294 nan 8.290 nan 0.000 0.415 290 L N -0.195 121.038 121.223 0.016 0.000 1.989 290 L HA -0.098 4.242 4.340 0.000 0.000 0.211 290 L C 1.805 178.676 176.870 0.002 0.000 1.071 290 L CA 1.954 56.798 54.840 0.007 0.000 0.749 290 L CB -0.526 41.537 42.059 0.006 0.000 0.890 290 L HN 0.286 nan 8.230 nan 0.000 0.431 291 G N -1.703 107.099 108.800 0.002 0.000 3.453 291 G HA2 0.089 4.049 3.960 0.000 0.000 0.263 291 G HA3 0.089 4.049 3.960 0.000 0.000 0.263 291 G C 0.644 175.539 174.900 -0.008 0.000 1.060 291 G CA -0.090 45.006 45.100 -0.005 0.000 0.793 291 G HN 0.374 nan 8.290 nan 0.000 0.532 292 R N -0.186 120.311 120.500 -0.005 0.000 3.405 292 R HA -0.177 4.163 4.340 0.000 0.000 0.258 292 R C -0.150 176.136 176.300 -0.022 0.000 1.030 292 R CA 0.665 56.759 56.100 -0.010 0.000 0.691 292 R CB -1.505 28.790 30.300 -0.009 0.000 1.093 292 R HN 0.382 nan 8.270 nan 0.000 0.448 293 K N -0.145 120.240 120.400 -0.025 0.000 2.154 293 K HA 0.382 4.702 4.320 0.000 0.000 0.264 293 K C -0.145 176.413 176.600 -0.070 0.000 1.008 293 K CA -0.534 55.727 56.287 -0.043 0.000 0.937 293 K CB 1.636 34.117 32.500 -0.031 0.000 1.002 293 K HN -0.072 nan 8.250 nan 0.000 0.469 294 V N 4.036 123.890 119.914 -0.099 0.000 2.459 294 V HA 0.375 4.495 4.120 0.000 0.000 0.295 294 V C -0.212 175.779 176.094 -0.172 0.000 1.029 294 V CA -0.764 61.451 62.300 -0.141 0.000 0.874 294 V CB 1.372 33.092 31.823 -0.171 0.000 0.985 294 V HN 0.594 nan 8.190 nan 0.000 0.438 295 I N 4.052 124.498 120.570 -0.207 0.000 2.355 295 I HA 0.536 4.706 4.170 0.000 0.000 0.288 295 I C 0.063 176.075 176.117 -0.175 0.000 0.999 295 I CA 0.120 61.288 61.300 -0.219 0.000 1.163 295 I CB 1.777 39.568 38.000 -0.347 0.000 1.316 295 I HN 0.675 nan 8.210 nan 0.000 0.454 296 T N 3.651 118.116 114.554 -0.149 0.000 2.778 296 T HA 0.852 5.202 4.350 0.000 0.000 0.293 296 T C -0.615 174.083 174.700 -0.002 0.000 1.144 296 T CA -0.540 61.514 62.100 -0.077 0.000 1.010 296 T CB 2.176 70.954 68.868 -0.151 0.000 1.325 296 T HN 0.771 nan 8.240 nan 0.000 0.515 297 G N 0.091 108.953 108.800 0.104 0.000 2.708 297 G HA2 0.631 4.591 3.960 0.000 0.000 0.289 297 G HA3 0.631 4.591 3.960 0.000 0.000 0.289 297 G C -1.522 173.536 174.900 0.263 0.000 1.416 297 G CA -0.419 44.776 45.100 0.157 0.000 0.829 297 G HN 0.794 nan 8.290 nan 0.000 0.480 298 S N -0.992 114.875 115.700 0.278 0.000 2.562 298 S HA 0.575 5.045 4.470 0.000 0.000 0.274 298 S C -1.876 172.925 174.600 0.336 0.000 1.160 298 S CA -0.655 57.751 58.200 0.344 0.000 0.933 298 S CB 0.920 64.298 63.200 0.296 0.000 1.100 298 S HN 0.930 nan 8.310 nan 0.000 0.468 299 F N 8.175 128.269 119.950 0.240 0.000 2.385 299 F HA 0.551 5.078 4.527 0.000 0.000 0.360 299 F C 0.902 176.631 175.800 -0.118 0.000 1.122 299 F CA -0.624 57.407 58.000 0.053 0.000 1.090 299 F CB 0.121 39.140 39.000 0.032 0.000 1.150 299 F HN 0.885 nan 8.300 nan 0.000 0.472 300 I N 2.525 122.681 120.570 -0.690 0.000 4.739 300 I HA -0.258 3.912 4.170 0.000 0.000 0.061 300 I C 0.280 176.141 176.117 -0.426 0.000 0.741 300 I CA 0.995 61.935 61.300 -0.600 0.000 0.331 300 I CB -1.385 36.101 38.000 -0.857 0.000 0.657 300 I HN 0.727 nan 8.210 nan 0.000 0.374 301 G N -0.077 108.507 108.800 -0.360 0.000 2.605 301 G HA2 0.662 4.622 3.960 0.000 0.000 0.296 301 G HA3 0.662 4.622 3.960 0.000 0.000 0.296 301 G C -0.631 174.133 174.900 -0.227 0.000 1.304 301 G CA -0.132 44.835 45.100 -0.221 0.000 0.941 301 G HN 1.224 nan 8.290 nan 0.000 0.475 302 S N -0.225 115.383 115.700 -0.152 0.000 2.640 302 S HA 0.299 4.769 4.470 0.000 0.000 0.262 302 S C 1.371 175.902 174.600 -0.115 0.000 1.232 302 S CA -0.251 57.869 58.200 -0.133 0.000 0.988 302 S CB 0.970 64.114 63.200 -0.092 0.000 1.034 302 S HN 0.302 nan 8.310 nan 0.000 0.569 303 M N 1.022 120.536 119.600 -0.145 0.000 2.334 303 M HA 0.117 4.597 4.480 0.000 0.000 0.266 303 M C 2.002 178.253 176.300 -0.082 0.000 1.082 303 M CA 1.270 56.493 55.300 -0.128 0.000 1.141 303 M CB -0.791 31.680 32.600 -0.214 0.000 1.380 303 M HN 0.889 nan 8.290 nan 0.000 0.440 304 K N -0.462 119.893 120.400 -0.075 0.000 2.032 304 K HA -0.170 4.150 4.320 0.000 0.000 0.209 304 K C 1.642 178.229 176.600 -0.021 0.000 1.048 304 K CA 1.877 58.138 56.287 -0.043 0.000 0.927 304 K CB -0.711 31.769 32.500 -0.033 0.000 0.712 304 K HN 0.351 nan 8.250 nan 0.000 0.441 305 E N 0.383 120.579 120.200 -0.007 0.000 2.204 305 E HA -0.088 4.262 4.350 0.000 0.000 0.194 305 E C 1.743 178.323 176.600 -0.034 0.000 0.989 305 E CA 1.455 57.882 56.400 0.044 0.000 0.824 305 E CB -0.052 29.700 29.700 0.086 0.000 0.756 305 E HN 0.440 nan 8.360 nan 0.000 0.477 306 T N 0.954 115.477 114.554 -0.053 0.000 2.904 306 T HA -0.101 4.249 4.350 0.000 0.000 0.267 306 T C 1.517 176.172 174.700 -0.075 0.000 1.059 306 T CA 0.902 62.961 62.100 -0.068 0.000 1.137 306 T CB -0.073 68.770 68.868 -0.042 0.000 0.879 306 T HN 0.212 nan 8.240 nan 0.000 0.467 307 E N 1.399 121.566 120.200 -0.055 0.000 2.017 307 E HA -0.148 4.202 4.350 0.000 0.000 0.193 307 E C 2.338 178.892 176.600 -0.076 0.000 0.997 307 E CA 1.124 57.496 56.400 -0.045 0.000 0.804 307 E CB -0.135 29.547 29.700 -0.031 0.000 0.757 307 E HN 0.560 nan 8.360 nan 0.000 0.448 308 E N 0.427 120.574 120.200 -0.089 0.000 2.086 308 E HA -0.253 4.097 4.350 0.000 0.000 0.200 308 E C 2.085 178.491 176.600 -0.323 0.000 1.012 308 E CA 1.296 57.628 56.400 -0.113 0.000 0.812 308 E CB -0.170 29.529 29.700 -0.002 0.000 0.743 308 E HN 0.232 nan 8.360 nan 0.000 0.453 309 M N 0.829 120.058 119.600 -0.619 0.000 2.099 309 M HA -0.148 4.332 4.480 0.000 0.000 0.262 309 M C 2.091 178.260 176.300 -0.218 0.000 1.067 309 M CA 1.513 56.323 55.300 -0.816 0.000 1.124 309 M CB -0.377 31.794 32.600 -0.715 0.000 1.353 309 M HN 0.135 nan 8.290 nan 0.000 0.410 310 L N 0.024 121.165 121.223 -0.137 0.000 2.017 310 L HA -0.210 4.130 4.340 0.000 0.000 0.208 310 L C 2.418 179.266 176.870 -0.037 0.000 1.073 310 L CA 1.404 56.211 54.840 -0.056 0.000 0.745 310 L CB -0.741 41.296 42.059 -0.037 0.000 0.894 310 L HN 0.242 nan 8.230 nan 0.000 0.432 311 E N -0.040 120.142 120.200 -0.030 0.000 2.085 311 E HA -0.264 4.086 4.350 0.000 0.000 0.194 311 E C 1.875 178.486 176.600 0.019 0.000 0.994 311 E CA 1.419 57.816 56.400 -0.005 0.000 0.801 311 E CB -0.298 29.404 29.700 0.004 0.000 0.743 311 E HN 0.377 nan 8.360 nan 0.000 0.453 312 F N 0.044 119.923 119.950 -0.118 0.000 2.069 312 F HA -0.274 4.253 4.527 0.000 0.000 0.298 312 F C 2.165 177.931 175.800 -0.057 0.000 1.113 312 F CA 1.743 59.695 58.000 -0.079 0.000 1.214 312 F CB -0.438 38.484 39.000 -0.131 0.000 0.978 312 F HN 0.062 nan 8.300 nan 0.000 0.474 313 C N 1.160 120.323 119.300 -0.228 0.000 2.419 313 C HA -0.130 4.330 4.460 0.000 0.000 0.283 313 C C 2.731 177.591 174.990 -0.216 0.000 1.373 313 C CA 0.877 59.723 59.018 -0.286 0.000 1.781 313 C CB -1.230 26.456 27.740 -0.089 0.000 1.886 313 C HN 0.473 nan 8.230 nan 0.000 0.520 314 K N 0.914 121.228 120.400 -0.143 0.000 2.044 314 K HA -0.107 4.213 4.320 0.000 0.000 0.204 314 K C 2.192 178.724 176.600 -0.115 0.000 1.049 314 K CA 0.968 57.196 56.287 -0.099 0.000 0.945 314 K CB -0.311 32.155 32.500 -0.057 0.000 0.724 314 K HN 0.555 nan 8.250 nan 0.000 0.440 315 E N 0.628 120.750 120.200 -0.131 0.000 2.058 315 E HA -0.181 4.169 4.350 0.000 0.000 0.194 315 E C 1.174 177.674 176.600 -0.166 0.000 0.997 315 E CA 1.221 57.551 56.400 -0.116 0.000 0.801 315 E CB 0.258 29.910 29.700 -0.080 0.000 0.746 315 E HN 0.019 nan 8.360 nan 0.000 0.450 316 K N -0.632 119.583 120.400 -0.309 0.000 2.444 316 K HA 0.081 4.401 4.320 0.000 0.000 0.193 316 K C 0.825 177.295 176.600 -0.218 0.000 1.024 316 K CA 0.710 56.811 56.287 -0.311 0.000 1.077 316 K CB 0.362 32.521 32.500 -0.570 0.000 0.833 316 K HN 0.295 nan 8.250 nan 0.000 0.517 317 G N 2.421 111.114 108.800 -0.179 0.000 2.314 317 G HA2 -0.254 3.706 3.960 0.000 0.000 0.292 317 G HA3 -0.254 3.706 3.960 0.000 0.000 0.292 317 G C -0.029 174.810 174.900 -0.100 0.000 1.059 317 G CA -0.008 45.024 45.100 -0.113 0.000 0.982 317 G HN 0.218 nan 8.290 nan 0.000 0.505 318 L N -0.109 121.042 121.223 -0.120 0.000 2.426 318 L HA 0.561 4.901 4.340 0.000 0.000 0.271 318 L C 0.857 177.709 176.870 -0.029 0.000 1.169 318 L CA 0.275 55.072 54.840 -0.072 0.000 0.836 318 L CB 1.581 43.603 42.059 -0.062 0.000 1.112 318 L HN 0.324 nan 8.230 nan 0.000 0.465 319 S N 1.789 117.487 115.700 -0.004 0.000 2.721 319 S HA 0.268 4.738 4.470 0.000 0.000 0.264 319 S C -0.572 174.063 174.600 0.058 0.000 1.161 319 S CA -0.469 57.743 58.200 0.020 0.000 1.113 319 S CB 1.429 64.635 63.200 0.010 0.000 1.079 319 S HN 0.638 nan 8.310 nan 0.000 0.479 320 S N 3.631 119.381 115.700 0.083 0.000 2.617 320 S HA 0.542 5.012 4.470 0.000 0.000 0.269 320 S C 0.221 174.901 174.600 0.134 0.000 1.292 320 S CA -0.645 57.646 58.200 0.150 0.000 1.010 320 S CB 0.171 63.457 63.200 0.144 0.000 0.944 320 S HN 0.695 nan 8.310 nan 0.000 0.536 321 I N 5.893 126.588 120.570 0.207 0.000 2.224 321 I HA 0.215 4.385 4.170 0.000 0.000 0.293 321 I C 0.356 176.506 176.117 0.054 0.000 1.155 321 I CA -0.473 60.913 61.300 0.142 0.000 1.297 321 I CB -0.960 37.184 38.000 0.240 0.000 1.487 321 I HN 0.450 nan 8.210 nan 0.000 0.564 322 I N 2.011 122.594 120.570 0.023 0.000 2.532 322 I HA 0.437 4.607 4.170 0.000 0.000 0.292 322 I C -0.081 176.014 176.117 -0.037 0.000 1.014 322 I CA -0.267 61.028 61.300 -0.008 0.000 1.340 322 I CB 1.563 39.575 38.000 0.021 0.000 1.422 322 I HN 0.490 nan 8.210 nan 0.000 0.528 323 E N 4.939 125.106 120.200 -0.055 0.000 2.141 323 E HA 0.423 4.773 4.350 0.000 0.000 0.259 323 E C -1.491 175.175 176.600 0.110 0.000 0.883 323 E CA -0.648 55.734 56.400 -0.030 0.000 0.744 323 E CB 1.739 31.343 29.700 -0.160 0.000 1.150 323 E HN 0.605 nan 8.360 nan 0.000 0.420 324 V N 5.711 125.647 119.914 0.037 0.000 2.389 324 V HA 0.144 4.264 4.120 0.000 0.000 0.264 324 V C 0.446 176.513 176.094 -0.047 0.000 1.049 324 V CA -0.378 61.931 62.300 0.015 0.000 0.932 324 V CB 0.658 32.471 31.823 -0.016 0.000 1.011 324 V HN 0.462 nan 8.190 nan 0.000 0.475 325 V N 2.988 122.860 119.914 -0.069 0.000 2.994 325 V HA 0.772 4.892 4.120 0.000 0.000 0.318 325 V C -0.270 175.712 176.094 -0.186 0.000 1.085 325 V CA -1.266 60.917 62.300 -0.194 0.000 0.998 325 V CB 1.947 33.608 31.823 -0.270 0.000 1.063 325 V HN 0.611 nan 8.190 nan 0.000 0.447 326 K N 1.231 121.518 120.400 -0.188 0.000 2.098 326 K HA 0.503 4.824 4.320 0.000 0.000 0.257 326 K C 0.663 177.094 176.600 -0.283 0.000 0.999 326 K CA -0.590 55.581 56.287 -0.193 0.000 0.924 326 K CB 1.129 33.545 32.500 -0.140 0.000 1.028 326 K HN 0.844 nan 8.250 nan 0.000 0.466 327 M N 1.823 121.177 119.600 -0.410 0.000 2.346 327 M HA -0.170 4.310 4.480 0.000 0.000 0.263 327 M C 0.306 176.021 176.300 -0.975 0.000 1.064 327 M CA 1.836 56.695 55.300 -0.735 0.000 1.083 327 M CB -0.524 31.593 32.600 -0.805 0.000 1.399 327 M HN 0.719 nan 8.290 nan 0.000 0.435 328 D N -2.413 117.638 120.400 -0.581 0.000 2.317 328 D HA -0.203 4.438 4.640 0.000 0.000 0.211 328 D C 1.670 177.833 176.300 -0.228 0.000 0.966 328 D CA 0.774 54.538 54.000 -0.393 0.000 0.876 328 D CB -0.815 39.953 40.800 -0.054 0.000 0.927 328 D HN 0.531 nan 8.370 nan 0.000 0.519 329 Y N 1.236 121.342 120.300 -0.325 0.000 2.544 329 Y HA 0.005 4.555 4.550 0.000 0.000 0.286 329 Y C 2.071 177.780 175.900 -0.318 0.000 1.141 329 Y CA 0.388 58.336 58.100 -0.253 0.000 1.299 329 Y CB 0.143 38.469 38.460 -0.223 0.000 1.030 329 Y HN 0.024 nan 8.280 nan 0.000 0.543 330 V N -1.493 118.200 119.914 -0.368 0.000 2.527 330 V HA -0.332 3.788 4.120 0.000 0.000 0.255 330 V C 1.776 177.644 176.094 -0.377 0.000 1.081 330 V CA 2.406 64.460 62.300 -0.409 0.000 1.092 330 V CB -0.828 30.643 31.823 -0.586 0.000 0.673 330 V HN 0.325 nan 8.190 nan 0.000 0.470 331 N N 0.537 119.038 118.700 -0.332 0.000 2.207 331 N HA -0.058 4.682 4.740 0.000 0.000 0.182 331 N C 1.888 177.290 175.510 -0.180 0.000 1.020 331 N CA 1.854 54.761 53.050 -0.238 0.000 0.858 331 N CB -0.554 37.842 38.487 -0.151 0.000 0.991 331 N HN 0.569 nan 8.380 nan 0.000 0.427 332 T N -0.022 114.308 114.554 -0.372 0.000 2.857 332 T HA 0.016 4.367 4.350 0.000 0.000 0.266 332 T C 1.889 176.420 174.700 -0.282 0.000 1.048 332 T CA 1.065 62.921 62.100 -0.407 0.000 1.139 332 T CB -0.353 68.051 68.868 -0.774 0.000 0.874 332 T HN 0.289 nan 8.240 nan 0.000 0.455 333 A N 0.896 123.506 122.820 -0.351 0.000 1.978 333 A HA -0.044 4.276 4.320 0.000 0.000 0.220 333 A C 1.890 179.469 177.584 -0.008 0.000 1.170 333 A CA 1.294 53.159 52.037 -0.287 0.000 0.636 333 A CB -0.856 17.777 19.000 -0.613 0.000 0.810 333 A HN 0.421 nan 8.150 nan 0.000 0.448 334 F N 0.096 119.941 119.950 -0.175 0.000 2.206 334 F HA -0.022 4.505 4.527 0.000 0.000 0.298 334 F C 2.346 178.134 175.800 -0.021 0.000 1.090 334 F CA 1.252 59.213 58.000 -0.066 0.000 1.323 334 F CB -0.652 38.324 39.000 -0.040 0.000 1.028 334 F HN 0.342 nan 8.300 nan 0.000 0.492 335 E N -0.354 119.936 120.200 0.151 0.000 2.077 335 E HA -0.204 4.146 4.350 0.000 0.000 0.193 335 E C 2.317 178.976 176.600 0.099 0.000 0.989 335 E CA 1.171 57.627 56.400 0.092 0.000 0.800 335 E CB -0.108 29.617 29.700 0.042 0.000 0.746 335 E HN 0.348 nan 8.360 nan 0.000 0.452 336 R N 0.108 120.692 120.500 0.140 0.000 2.090 336 R HA -0.061 4.279 4.340 0.000 0.000 0.228 336 R C 2.415 178.847 176.300 0.220 0.000 1.110 336 R CA 0.565 56.784 56.100 0.199 0.000 0.973 336 R CB -0.245 30.244 30.300 0.316 0.000 0.869 336 R HN 0.106 nan 8.270 nan 0.000 0.440 337 L N 1.565 122.946 121.223 0.263 0.000 2.131 337 L HA -0.141 4.199 4.340 0.000 0.000 0.210 337 L C 2.161 179.037 176.870 0.009 0.000 1.092 337 L CA 1.746 56.666 54.840 0.134 0.000 0.759 337 L CB -0.300 41.771 42.059 0.020 0.000 0.903 337 L HN 0.165 nan 8.230 nan 0.000 0.435 338 E N -0.137 120.071 120.200 0.013 0.000 2.028 338 E HA -0.230 4.120 4.350 0.000 0.000 0.191 338 E C 1.587 178.250 176.600 0.105 0.000 0.988 338 E CA 1.149 57.580 56.400 0.051 0.000 0.799 338 E CB -0.054 29.669 29.700 0.038 0.000 0.755 338 E HN 0.487 nan 8.360 nan 0.000 0.447 339 K N 0.611 121.068 120.400 0.095 0.000 2.611 339 K HA 0.011 4.331 4.320 0.000 0.000 0.193 339 K C -0.184 176.472 176.600 0.093 0.000 1.026 339 K CA 0.480 56.821 56.287 0.089 0.000 1.063 339 K CB -0.338 32.208 32.500 0.077 0.000 0.839 339 K HN 0.257 nan 8.250 nan 0.000 0.505 340 N N 1.320 120.089 118.700 0.115 0.000 2.721 340 N HA -0.204 4.536 4.740 0.000 0.000 0.249 340 N C 0.111 175.659 175.510 0.065 0.000 1.072 340 N CA 0.600 53.716 53.050 0.109 0.000 0.710 340 N CB -0.579 37.974 38.487 0.111 0.000 0.993 340 N HN 0.238 nan 8.380 nan 0.000 0.547 341 D N 0.253 120.693 120.400 0.066 0.000 2.336 341 D HA 0.046 4.686 4.640 0.000 0.000 0.229 341 D C 0.021 176.305 176.300 -0.026 0.000 1.061 341 D CA 0.192 54.218 54.000 0.043 0.000 0.875 341 D CB 0.279 41.134 40.800 0.091 0.000 0.904 341 D HN 0.230 nan 8.370 nan 0.000 0.525 342 V N 1.188 121.026 119.914 -0.126 0.000 2.567 342 V HA 0.282 4.402 4.120 0.000 0.000 0.289 342 V C 0.110 175.988 176.094 -0.361 0.000 1.049 342 V CA -0.755 61.297 62.300 -0.413 0.000 0.969 342 V CB 1.518 32.816 31.823 -0.875 0.000 0.995 342 V HN -0.112 nan 8.190 nan 0.000 0.471 343 R N 6.285 126.526 120.500 -0.433 0.000 3.268 343 R HA 0.312 4.652 4.340 0.000 0.000 0.217 343 R C 0.083 176.043 176.300 -0.566 0.000 1.568 343 R CA 0.607 56.354 56.100 -0.587 0.000 1.322 343 R CB -1.740 28.288 30.300 -0.453 0.000 1.280 343 R HN 0.929 nan 8.270 nan 0.000 0.667 344 Y N -0.615 119.564 120.300 -0.201 0.000 2.765 344 Y HA -0.494 4.056 4.550 0.000 0.000 0.475 344 Y C 0.623 176.350 175.900 -0.288 0.000 1.123 344 Y CA 1.286 59.235 58.100 -0.252 0.000 2.832 344 Y CB -0.882 37.427 38.460 -0.252 0.000 1.104 344 Y HN 0.364 nan 8.280 nan 0.000 0.602 345 R N 0.940 121.379 120.500 -0.103 0.000 2.787 345 R HA 0.596 4.936 4.340 0.000 0.000 0.271 345 R C -1.440 174.748 176.300 -0.186 0.000 0.993 345 R CA -0.724 55.307 56.100 -0.115 0.000 0.993 345 R CB 1.088 31.374 30.300 -0.023 0.000 1.155 345 R HN 0.148 nan 8.270 nan 0.000 0.486 346 F N 0.055 120.011 119.950 0.011 0.000 2.480 346 F HA 0.481 5.008 4.527 0.000 0.000 0.329 346 F C -0.069 175.740 175.800 0.015 0.000 1.091 346 F CA -0.945 57.061 58.000 0.011 0.000 0.972 346 F CB 2.108 41.129 39.000 0.036 0.000 1.150 346 F HN -0.086 nan 8.300 nan 0.000 0.467 347 V N 4.071 124.142 119.914 0.261 0.000 2.623 347 V HA 0.301 4.421 4.120 0.000 0.000 0.304 347 V C -0.749 175.367 176.094 0.037 0.000 1.054 347 V CA -0.867 61.504 62.300 0.118 0.000 0.882 347 V CB 1.960 33.824 31.823 0.069 0.000 1.002 347 V HN 0.427 nan 8.190 nan 0.000 0.424 348 V N 3.324 123.209 119.914 -0.047 0.000 2.461 348 V HA 0.254 4.374 4.120 0.000 0.000 0.275 348 V C 0.128 176.143 176.094 -0.132 0.000 1.047 348 V CA -0.339 61.851 62.300 -0.182 0.000 0.955 348 V CB 1.561 33.127 31.823 -0.427 0.000 0.988 348 V HN 0.928 nan 8.190 nan 0.000 0.471 349 D N 4.277 124.598 120.400 -0.131 0.000 2.338 349 D HA 0.145 4.785 4.640 0.000 0.000 0.255 349 D C 0.626 176.851 176.300 -0.125 0.000 1.237 349 D CA 0.055 53.996 54.000 -0.098 0.000 0.883 349 D CB 1.628 42.376 40.800 -0.087 0.000 1.087 349 D HN 0.233 nan 8.370 nan 0.000 0.485 350 V N 4.002 123.861 119.914 -0.092 0.000 3.235 350 V HA -0.036 4.084 4.120 0.000 0.000 0.259 350 V C 1.666 177.726 176.094 -0.057 0.000 1.133 350 V CA 0.776 63.023 62.300 -0.088 0.000 1.128 350 V CB -0.424 31.372 31.823 -0.045 0.000 0.757 350 V HN 0.592 nan 8.190 nan 0.000 0.469 351 E N 0.998 121.171 120.200 -0.045 0.000 2.461 351 E HA 0.056 4.406 4.350 0.000 0.000 0.196 351 E C 1.128 177.702 176.600 -0.044 0.000 1.129 351 E CA 0.235 56.615 56.400 -0.035 0.000 0.902 351 E CB -0.027 29.658 29.700 -0.026 0.000 0.963 351 E HN 0.550 nan 8.360 nan 0.000 0.503 352 G N 0.883 109.644 108.800 -0.065 0.000 4.662 352 G HA2 0.164 4.124 3.960 0.000 0.000 0.328 352 G HA3 0.164 4.124 3.960 0.000 0.000 0.328 352 G C -0.087 174.766 174.900 -0.079 0.000 1.451 352 G CA -0.428 44.629 45.100 -0.072 0.000 1.154 352 G HN -0.048 nan 8.290 nan 0.000 0.547 353 S N 0.323 115.998 115.700 -0.040 0.000 2.580 353 S HA 0.055 4.525 4.470 0.000 0.000 0.266 353 S C 1.173 175.796 174.600 0.039 0.000 1.354 353 S CA -0.200 57.995 58.200 -0.009 0.000 1.008 353 S CB 0.502 63.702 63.200 0.001 0.000 0.898 353 S HN 0.775 nan 8.310 nan 0.000 0.555 354 N N 0.474 119.229 118.700 0.092 0.000 2.416 354 N HA 0.109 4.849 4.740 0.000 0.000 0.267 354 N C -0.689 174.900 175.510 0.132 0.000 1.294 354 N CA -0.512 52.662 53.050 0.207 0.000 0.891 354 N CB 0.059 38.810 38.487 0.440 0.000 1.238 354 N HN 0.297 nan 8.380 nan 0.000 0.508 355 L N 2.002 123.263 121.223 0.064 0.000 2.737 355 L HA -0.024 4.316 4.340 0.000 0.000 0.275 355 L C -0.688 176.189 176.870 0.012 0.000 1.179 355 L CA 1.208 56.062 54.840 0.025 0.000 0.970 355 L CB -0.444 41.621 42.059 0.011 0.000 1.268 355 L HN 0.290 nan 8.230 nan 0.000 0.485 356 D N 4.302 124.697 120.400 -0.009 0.000 2.411 356 D HA 0.531 5.171 4.640 0.000 0.000 0.239 356 D C -0.290 175.979 176.300 -0.051 0.000 1.307 356 D CA 0.023 54.004 54.000 -0.031 0.000 0.930 356 D CB 0.807 41.584 40.800 -0.038 0.000 1.395 356 D HN 0.760 nan 8.370 nan 0.000 0.536 357 A N 0.000 122.792 122.820 -0.047 0.000 2.254 357 A HA 0.000 4.320 4.320 0.000 0.000 0.244 357 A CA 0.000 52.004 52.037 -0.056 0.000 0.836 357 A CB 0.000 18.974 19.000 -0.043 0.000 0.831 357 A HN 0.000 nan 8.150 nan 0.000 0.486