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 2ix5_1_B DATA FIRST_RESID 17 DATA SEQUENCE KSSYFDLPPM EMSVAFPQAT PASTFPPCTS DYYHFNDLLT PEEQAIRKKV DATA SEQUENCE RECMEKEVAP IMTEYWEKAE FPFHITPKLG AMGVAGGSIK GYGCPGLSIT DATA SEQUENCE ANAIATAEIA RVDASCSTFI LVHSSLGMLT IALCGSEAQK EKYLPSLAQL DATA SEQUENCE NTVACWALTE PDNGSDASGL GTTATKVEGG WKINGQKRWI GNSTFADLLI DATA SEQUENCE IFARNTTTNQ INGFIVKKDA PGLKATKIPN KIGLRMVQNG DILLQNVFVP DATA SEQUENCE DEDRLPGVNS FQDTSKVLAV SRVMVAWQPI GISMGIYDMC HRYLKERKQF DATA SEQUENCE GAPLAAFQLN QQKLVQMLGN VQAMFLMGWR LCKLYETGQM TPGQASLGKA DATA SEQUENCE WISSKARETA SLGRELLGGN GILADFLVAK AFCDLEPIYT YEGTYDINTL DATA SEQUENCE VTGREVTGIA SFKPAT 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.466 176.600 -0.224 0.000 0.988 17 K CA 0.000 56.054 56.287 -0.388 0.000 0.838 17 K CB 0.000 32.348 32.500 -0.254 0.000 1.064 18 S N -0.341 115.264 115.700 -0.158 0.000 2.794 18 S HA 0.255 4.725 4.470 0.000 0.000 0.299 18 S C 0.701 175.140 174.600 -0.269 0.000 1.179 18 S CA -0.392 57.644 58.200 -0.274 0.000 0.838 18 S CB 1.400 64.326 63.200 -0.458 0.000 1.206 18 S HN 0.585 nan 8.310 nan 0.000 0.523 19 S N 0.239 115.663 115.700 -0.461 0.000 2.453 19 S HA -0.090 4.381 4.470 0.000 0.000 0.231 19 S C 1.164 175.686 174.600 -0.130 0.000 1.005 19 S CA 0.950 58.997 58.200 -0.256 0.000 0.949 19 S CB -0.622 62.461 63.200 -0.194 0.000 0.774 19 S HN 0.815 nan 8.310 nan 0.000 0.510 20 Y N -1.819 118.536 120.300 0.092 0.000 2.481 20 Y HA 0.513 5.063 4.550 -0.000 0.000 0.247 20 Y C 1.527 177.487 175.900 0.100 0.000 1.151 20 Y CA -1.738 56.408 58.100 0.077 0.000 1.238 20 Y CB -0.871 37.621 38.460 0.054 0.000 1.179 20 Y HN 0.177 nan 8.280 nan 0.000 0.524 21 F N 2.464 122.474 119.950 0.100 0.000 2.126 21 F HA -0.161 4.366 4.527 0.000 0.000 0.299 21 F C 1.481 177.322 175.800 0.068 0.000 1.096 21 F CA 1.899 59.957 58.000 0.097 0.000 1.255 21 F CB -0.045 38.972 39.000 0.028 0.000 0.997 21 F HN 0.005 nan 8.300 nan 0.000 0.479 22 D N 0.610 121.079 120.400 0.115 0.000 2.317 22 D HA 0.017 4.657 4.640 0.000 0.000 0.211 22 D C 0.750 177.034 176.300 -0.027 0.000 0.966 22 D CA 0.400 54.413 54.000 0.021 0.000 0.876 22 D CB -0.181 40.672 40.800 0.087 0.000 0.927 22 D HN 0.206 nan 8.370 nan 0.000 0.519 23 L N 2.126 123.352 121.223 0.005 0.000 2.453 23 L HA 0.117 4.457 4.340 0.000 0.000 0.272 23 L C -1.757 175.098 176.870 -0.025 0.000 1.182 23 L CA -1.472 53.375 54.840 0.012 0.000 0.858 23 L CB -0.221 41.872 42.059 0.057 0.000 1.120 23 L HN -0.231 nan 8.230 nan 0.000 0.474 24 P HA 0.048 nan 4.420 nan 0.000 0.263 24 P C -2.249 175.037 177.300 -0.023 0.000 1.175 24 P CA -0.637 62.448 63.100 -0.024 0.000 0.761 24 P CB -0.301 31.392 31.700 -0.012 0.000 0.794 25 P HA -0.004 nan 4.420 nan 0.000 0.266 25 P C 0.066 177.361 177.300 -0.008 0.000 1.186 25 P CA 0.275 63.362 63.100 -0.022 0.000 0.767 25 P CB 0.300 31.988 31.700 -0.020 0.000 0.820 26 M N 2.711 122.310 119.600 -0.002 0.000 2.238 26 M HA -0.004 4.476 4.480 0.000 0.000 0.350 26 M C 0.567 176.877 176.300 0.017 0.000 1.321 26 M CA 0.204 55.508 55.300 0.007 0.000 1.097 26 M CB 0.246 32.853 32.600 0.012 0.000 1.713 26 M HN 0.339 nan 8.290 nan 0.000 0.455 27 E N 3.748 123.958 120.200 0.015 0.000 2.442 27 E HA -0.117 4.233 4.350 0.000 0.000 0.262 27 E C 0.442 177.064 176.600 0.036 0.000 1.004 27 E CA 0.115 56.526 56.400 0.017 0.000 0.928 27 E CB 0.746 30.453 29.700 0.012 0.000 0.937 27 E HN 0.741 nan 8.360 nan 0.000 0.446 28 M N 2.873 122.493 119.600 0.034 0.000 2.213 28 M HA -0.197 4.283 4.480 0.000 0.000 0.263 28 M C 2.004 178.362 176.300 0.097 0.000 1.062 28 M CA 1.653 56.995 55.300 0.070 0.000 1.105 28 M CB -0.167 32.438 32.600 0.009 0.000 1.385 28 M HN 0.509 nan 8.290 nan 0.000 0.417 29 S N -1.757 113.976 115.700 0.053 0.000 2.447 29 S HA -0.049 4.421 4.470 0.000 0.000 0.233 29 S C 1.555 176.174 174.600 0.033 0.000 1.006 29 S CA 1.176 59.401 58.200 0.042 0.000 0.957 29 S CB -0.668 62.544 63.200 0.020 0.000 0.773 29 S HN 0.356 nan 8.310 nan 0.000 0.507 30 V N 0.968 120.905 119.914 0.038 0.000 3.085 30 V HA 0.329 4.450 4.120 0.000 0.000 0.245 30 V C 2.888 179.010 176.094 0.047 0.000 1.114 30 V CA 0.784 63.100 62.300 0.026 0.000 1.108 30 V CB -0.755 31.077 31.823 0.016 0.000 0.798 30 V HN 0.566 nan 8.190 nan 0.000 0.471 31 A N -0.776 122.096 122.820 0.087 0.000 1.897 31 A HA 0.028 4.348 4.320 0.000 0.000 0.215 31 A C 1.124 178.854 177.584 0.243 0.000 1.181 31 A CA 1.420 53.536 52.037 0.132 0.000 0.620 31 A CB -0.192 18.886 19.000 0.129 0.000 0.821 31 A HN 0.458 nan 8.150 nan 0.000 0.443 32 F N -0.675 119.317 119.950 0.070 0.000 2.931 32 F HA 0.443 4.970 4.527 0.000 0.000 0.375 32 F C -2.482 173.359 175.800 0.069 0.000 1.243 32 F CA -2.209 55.839 58.000 0.081 0.000 1.206 32 F CB 1.618 40.717 39.000 0.164 0.000 1.643 32 F HN -0.028 nan 8.300 nan 0.000 0.593 33 P HA -0.125 nan 4.420 nan 0.000 0.221 33 P C 1.373 178.548 177.300 -0.209 0.000 1.150 33 P CA 1.169 64.191 63.100 -0.130 0.000 0.800 33 P CB 0.230 31.852 31.700 -0.129 0.000 0.787 34 Q N -0.798 118.717 119.800 -0.475 0.000 2.170 34 Q HA 0.001 4.341 4.340 0.000 0.000 0.203 34 Q C 0.684 176.537 176.000 -0.244 0.000 0.976 34 Q CA 0.845 56.388 55.803 -0.433 0.000 0.858 34 Q CB -0.129 28.222 28.738 -0.644 0.000 0.907 34 Q HN 0.183 nan 8.270 nan 0.000 0.433 35 A N 0.128 122.912 122.820 -0.059 0.000 2.380 35 A HA 0.511 4.831 4.320 0.000 0.000 0.315 35 A C -0.619 177.158 177.584 0.321 0.000 1.101 35 A CA -0.635 51.493 52.037 0.151 0.000 0.771 35 A CB 1.520 20.632 19.000 0.187 0.000 1.287 35 A HN -0.008 nan 8.150 nan 0.000 0.436 36 T N 4.138 118.837 114.554 0.241 0.000 2.817 36 T HA 0.512 4.862 4.350 0.000 0.000 0.293 36 T C -2.219 172.604 174.700 0.205 0.000 0.964 36 T CA -0.677 61.529 62.100 0.176 0.000 1.085 36 T CB 0.800 69.721 68.868 0.088 0.000 0.921 36 T HN 0.580 nan 8.240 nan 0.000 0.502 37 P HA 0.287 nan 4.420 nan 0.000 0.277 37 P C 0.387 177.576 177.300 -0.185 0.000 1.276 37 P CA -0.531 62.314 63.100 -0.424 0.000 0.788 37 P CB 0.600 31.972 31.700 -0.547 0.000 1.114 38 A N 0.218 122.911 122.820 -0.212 0.000 2.168 38 A HA -0.073 4.247 4.320 0.000 0.000 0.215 38 A C 2.127 179.737 177.584 0.045 0.000 1.152 38 A CA 1.204 53.183 52.037 -0.097 0.000 0.716 38 A CB -1.548 17.411 19.000 -0.068 0.000 0.794 38 A HN 0.527 nan 8.150 nan 0.000 0.465 39 S N 0.141 115.838 115.700 -0.006 0.000 2.372 39 S HA -0.126 4.344 4.470 0.000 0.000 0.227 39 S C 1.014 175.665 174.600 0.085 0.000 1.044 39 S CA 1.668 59.892 58.200 0.040 0.000 1.050 39 S CB -0.583 62.616 63.200 -0.002 0.000 0.901 39 S HN 0.586 nan 8.310 nan 0.000 0.447 40 T N 2.995 117.585 114.554 0.060 0.000 2.875 40 T HA 0.359 4.710 4.350 0.000 0.000 0.307 40 T C -0.431 174.334 174.700 0.109 0.000 1.013 40 T CA -0.315 61.836 62.100 0.085 0.000 0.970 40 T CB -0.422 68.477 68.868 0.051 0.000 0.986 40 T HN 0.149 nan 8.240 nan 0.000 0.536 41 F N 6.489 126.455 119.950 0.027 0.000 2.538 41 F HA 0.246 4.773 4.527 0.000 0.000 0.371 41 F C -1.440 174.393 175.800 0.055 0.000 1.087 41 F CA -2.015 56.008 58.000 0.038 0.000 1.250 41 F CB 0.536 39.557 39.000 0.035 0.000 1.110 41 F HN 0.345 nan 8.300 nan 0.000 0.570 42 P HA 0.028 nan 4.420 nan 0.000 0.266 42 P C -2.649 174.720 177.300 0.114 0.000 1.193 42 P CA -0.841 62.209 63.100 -0.084 0.000 0.770 42 P CB -0.279 31.297 31.700 -0.207 0.000 0.836 43 P HA 0.026 nan 4.420 nan 0.000 0.274 43 P C -0.293 177.081 177.300 0.122 0.000 1.246 43 P CA -0.390 62.785 63.100 0.125 0.000 0.795 43 P CB 0.605 32.356 31.700 0.086 0.000 1.006 44 C N 2.913 122.283 119.300 0.117 0.000 2.383 44 C HA 0.242 4.702 4.460 0.000 0.000 0.350 44 C C 1.732 176.747 174.990 0.041 0.000 1.173 44 C CA 0.563 59.648 59.018 0.111 0.000 1.645 44 C CB -2.152 25.655 27.740 0.112 0.000 2.221 44 C HN 0.700 nan 8.230 nan 0.000 0.528 45 T N 0.268 114.841 114.554 0.033 0.000 3.044 45 T HA 0.022 4.372 4.350 0.000 0.000 0.260 45 T C 1.532 176.210 174.700 -0.037 0.000 1.019 45 T CA 0.635 62.697 62.100 -0.064 0.000 0.921 45 T CB -0.160 68.496 68.868 -0.353 0.000 1.053 45 T HN 0.752 nan 8.240 nan 0.000 0.533 46 S N 1.046 116.758 115.700 0.020 0.000 2.428 46 S HA -0.043 4.427 4.470 0.000 0.000 0.230 46 S C 0.928 175.439 174.600 -0.148 0.000 1.014 46 S CA 0.324 58.409 58.200 -0.192 0.000 0.957 46 S CB -0.689 62.519 63.200 0.015 0.000 0.784 46 S HN 0.407 nan 8.310 nan 0.000 0.499 47 D N 0.805 121.158 120.400 -0.078 0.000 2.429 47 D HA 0.044 4.684 4.640 0.000 0.000 0.253 47 D C -0.044 176.050 176.300 -0.343 0.000 1.294 47 D CA -0.202 53.642 54.000 -0.261 0.000 1.063 47 D CB -0.189 40.508 40.800 -0.172 0.000 1.096 47 D HN 0.407 nan 8.370 nan 0.000 0.516 48 Y N 3.419 123.381 120.300 -0.564 0.000 2.524 48 Y HA 0.072 4.622 4.550 0.001 0.000 0.270 48 Y C 0.423 176.221 175.900 -0.170 0.000 1.094 48 Y CA 0.391 58.286 58.100 -0.341 0.000 1.276 48 Y CB 0.224 38.501 38.460 -0.304 0.000 1.130 48 Y HN 0.276 nan 8.280 nan 0.000 0.536 49 Y N 0.912 120.775 120.300 -0.728 0.000 2.625 49 Y HA 0.259 4.809 4.550 0.000 0.000 0.285 49 Y C 0.295 175.848 175.900 -0.578 0.000 1.168 49 Y CA -0.344 57.397 58.100 -0.599 0.000 1.250 49 Y CB -1.324 36.938 38.460 -0.330 0.000 1.130 49 Y HN 0.168 nan 8.280 nan 0.000 0.526 50 H N -0.304 118.395 119.070 -0.618 0.000 2.765 50 H HA -0.231 4.325 4.556 0.000 0.000 0.332 50 H C 0.442 175.581 175.328 -0.316 0.000 1.180 50 H CA 0.009 55.809 56.048 -0.414 0.000 1.142 50 H CB -1.552 28.054 29.762 -0.260 0.000 1.576 50 H HN 0.464 nan 8.280 nan 0.000 0.420 51 F N 0.708 120.610 119.950 -0.080 0.000 2.333 51 F HA -0.181 4.346 4.527 0.000 0.000 0.300 51 F C 2.225 178.035 175.800 0.016 0.000 1.083 51 F CA 0.680 58.556 58.000 -0.207 0.000 1.395 51 F CB -0.064 38.505 39.000 -0.720 0.000 1.056 51 F HN 0.278 nan 8.300 nan 0.000 0.529 52 N N 0.522 119.386 118.700 0.274 0.000 2.348 52 N HA -0.166 4.574 4.740 0.000 0.000 0.185 52 N C 1.184 176.792 175.510 0.163 0.000 1.019 52 N CA 1.087 54.277 53.050 0.234 0.000 0.880 52 N CB -0.525 38.090 38.487 0.213 0.000 0.965 52 N HN 0.250 nan 8.380 nan 0.000 0.437 53 D N 0.196 120.652 120.400 0.094 0.000 2.221 53 D HA -0.080 4.560 4.640 0.000 0.000 0.204 53 D C 1.372 177.674 176.300 0.003 0.000 0.982 53 D CA 0.624 54.597 54.000 -0.045 0.000 0.857 53 D CB 0.033 40.723 40.800 -0.183 0.000 0.934 53 D HN 0.343 nan 8.370 nan 0.000 0.475 54 L N -0.046 121.198 121.223 0.035 0.000 2.628 54 L HA 0.223 4.563 4.340 0.000 0.000 0.229 54 L C 0.297 177.306 176.870 0.231 0.000 1.137 54 L CA -0.008 54.840 54.840 0.013 0.000 0.909 54 L CB 0.190 42.034 42.059 -0.359 0.000 1.137 54 L HN -0.159 nan 8.230 nan 0.000 0.470 55 L N -0.217 121.127 121.223 0.201 0.000 2.362 55 L HA 0.405 4.745 4.340 0.000 0.000 0.271 55 L C 0.553 177.511 176.870 0.146 0.000 1.002 55 L CA -0.654 54.312 54.840 0.209 0.000 0.818 55 L CB 2.190 44.375 42.059 0.210 0.000 1.298 55 L HN 0.043 nan 8.230 nan 0.000 0.420 56 T N -1.440 113.190 114.554 0.127 0.000 2.856 56 T HA 0.168 4.518 4.350 0.000 0.000 0.306 56 T C -1.912 172.832 174.700 0.073 0.000 1.062 56 T CA -1.307 60.846 62.100 0.088 0.000 1.083 56 T CB 0.956 69.866 68.868 0.070 0.000 0.984 56 T HN 0.347 nan 8.240 nan 0.000 0.542 57 P HA -0.129 nan 4.420 nan 0.000 0.216 57 P C 1.451 178.778 177.300 0.045 0.000 1.153 57 P CA 1.181 64.310 63.100 0.049 0.000 0.858 57 P CB 0.071 31.794 31.700 0.038 0.000 0.789 58 E N -0.150 120.073 120.200 0.038 0.000 2.106 58 E HA -0.214 4.136 4.350 0.000 0.000 0.192 58 E C 1.784 178.404 176.600 0.033 0.000 0.984 58 E CA 1.025 57.443 56.400 0.030 0.000 0.806 58 E CB -0.169 29.544 29.700 0.022 0.000 0.750 58 E HN 0.298 nan 8.360 nan 0.000 0.458 59 E N 0.049 120.275 120.200 0.042 0.000 2.150 59 E HA -0.183 4.167 4.350 0.000 0.000 0.193 59 E C 2.156 178.795 176.600 0.064 0.000 0.985 59 E CA 0.803 57.230 56.400 0.045 0.000 0.814 59 E CB 0.071 29.807 29.700 0.061 0.000 0.752 59 E HN 0.309 nan 8.360 nan 0.000 0.466 60 Q N -0.042 119.804 119.800 0.076 0.000 2.123 60 Q HA -0.067 4.273 4.340 0.000 0.000 0.199 60 Q C 2.153 178.192 176.000 0.064 0.000 0.966 60 Q CA 1.168 57.021 55.803 0.084 0.000 0.845 60 Q CB -0.016 28.773 28.738 0.085 0.000 0.907 60 Q HN 0.227 nan 8.270 nan 0.000 0.439 61 A N 0.449 123.299 122.820 0.049 0.000 1.969 61 A HA -0.118 4.202 4.320 0.000 0.000 0.218 61 A C 1.928 179.532 177.584 0.034 0.000 1.169 61 A CA 0.898 52.958 52.037 0.039 0.000 0.635 61 A CB -0.378 18.641 19.000 0.031 0.000 0.810 61 A HN 0.289 nan 8.150 nan 0.000 0.445 62 I N -1.309 119.280 120.570 0.031 0.000 2.333 62 I HA -0.173 3.997 4.170 0.000 0.000 0.246 62 I C 2.610 178.744 176.117 0.029 0.000 1.106 62 I CA 1.260 62.573 61.300 0.021 0.000 1.411 62 I CB -0.275 37.729 38.000 0.006 0.000 1.082 62 I HN 0.365 nan 8.210 nan 0.000 0.420 63 R N 2.160 122.687 120.500 0.046 0.000 2.115 63 R HA -0.279 4.061 4.340 0.000 0.000 0.239 63 R C 2.332 178.668 176.300 0.060 0.000 1.133 63 R CA 2.608 58.748 56.100 0.067 0.000 0.935 63 R CB -0.289 30.076 30.300 0.108 0.000 0.853 63 R HN 0.368 nan 8.270 nan 0.000 0.433 64 K N 0.104 120.538 120.400 0.056 0.000 2.211 64 K HA -0.134 4.186 4.320 0.000 0.000 0.203 64 K C 2.072 178.692 176.600 0.033 0.000 1.050 64 K CA 1.437 57.753 56.287 0.047 0.000 0.945 64 K CB -0.114 32.414 32.500 0.046 0.000 0.732 64 K HN 0.083 nan 8.250 nan 0.000 0.451 65 K N 1.222 121.639 120.400 0.028 0.000 2.062 65 K HA -0.068 4.252 4.320 0.000 0.000 0.205 65 K C 1.935 178.542 176.600 0.012 0.000 1.051 65 K CA 1.314 57.612 56.287 0.020 0.000 0.941 65 K CB 0.013 32.524 32.500 0.019 0.000 0.719 65 K HN 0.111 nan 8.250 nan 0.000 0.440 66 V N 1.578 121.499 119.914 0.013 0.000 2.427 66 V HA -0.185 3.935 4.120 0.000 0.000 0.248 66 V C 2.634 178.722 176.094 -0.010 0.000 1.051 66 V CA 1.776 64.078 62.300 0.003 0.000 1.048 66 V CB -0.569 31.258 31.823 0.007 0.000 0.666 66 V HN 0.382 nan 8.190 nan 0.000 0.456 67 R N 0.302 120.802 120.500 -0.000 0.000 2.062 67 R HA -0.174 4.166 4.340 0.000 0.000 0.231 67 R C 2.324 178.606 176.300 -0.029 0.000 1.136 67 R CA 1.922 58.011 56.100 -0.017 0.000 0.948 67 R CB -0.263 30.050 30.300 0.022 0.000 0.845 67 R HN 0.570 nan 8.270 nan 0.000 0.430 68 E N -0.243 119.956 120.200 -0.001 0.000 2.160 68 E HA -0.254 4.096 4.350 0.000 0.000 0.195 68 E C 2.041 178.635 176.600 -0.009 0.000 0.991 68 E CA 1.290 57.692 56.400 0.004 0.000 0.810 68 E CB -0.173 29.536 29.700 0.016 0.000 0.742 68 E HN 0.411 nan 8.360 nan 0.000 0.466 69 C N 0.181 119.471 119.300 -0.016 0.000 2.492 69 C HA 0.011 4.471 4.460 0.000 0.000 0.279 69 C C 2.405 177.368 174.990 -0.045 0.000 1.335 69 C CA 0.168 59.174 59.018 -0.021 0.000 1.734 69 C CB -0.428 27.303 27.740 -0.014 0.000 2.027 69 C HN 0.377 nan 8.230 nan 0.000 0.496 70 M N 0.576 120.132 119.600 -0.073 0.000 2.200 70 M HA -0.027 4.454 4.480 0.000 0.000 0.265 70 M C 1.973 178.182 176.300 -0.152 0.000 1.066 70 M CA 1.486 56.714 55.300 -0.121 0.000 1.127 70 M CB -1.337 31.168 32.600 -0.158 0.000 1.379 70 M HN 0.507 nan 8.290 nan 0.000 0.420 71 E N 0.044 120.158 120.200 -0.144 0.000 2.107 71 E HA -0.198 4.152 4.350 0.000 0.000 0.191 71 E C 2.005 178.598 176.600 -0.011 0.000 0.982 71 E CA 1.092 57.432 56.400 -0.101 0.000 0.809 71 E CB 0.001 29.682 29.700 -0.031 0.000 0.756 71 E HN 0.426 nan 8.360 nan 0.000 0.459 72 K N 0.833 121.228 120.400 -0.009 0.000 2.098 72 K HA -0.081 4.239 4.320 0.000 0.000 0.203 72 K C 1.822 178.427 176.600 0.008 0.000 1.051 72 K CA 1.098 57.392 56.287 0.011 0.000 0.957 72 K CB 0.344 32.852 32.500 0.013 0.000 0.738 72 K HN -0.104 nan 8.250 nan 0.000 0.447 73 E N -0.082 120.110 120.200 -0.012 0.000 2.251 73 E HA 0.005 4.355 4.350 0.000 0.000 0.194 73 E C 1.951 178.534 176.600 -0.028 0.000 0.964 73 E CA 0.722 57.114 56.400 -0.013 0.000 0.868 73 E CB 0.564 30.247 29.700 -0.029 0.000 0.828 73 E HN 0.174 nan 8.360 nan 0.000 0.481 74 V N 1.022 120.903 119.914 -0.054 0.000 2.806 74 V HA 0.109 4.229 4.120 0.000 0.000 0.239 74 V C 2.311 178.390 176.094 -0.025 0.000 1.113 74 V CA 1.078 63.334 62.300 -0.073 0.000 1.137 74 V CB -0.394 31.360 31.823 -0.115 0.000 0.865 74 V HN 0.150 nan 8.190 nan 0.000 0.482 75 A N 1.338 124.145 122.820 -0.021 0.000 1.903 75 A HA -0.184 4.136 4.320 0.000 0.000 0.219 75 A C 0.328 177.957 177.584 0.076 0.000 1.191 75 A CA 2.595 54.666 52.037 0.056 0.000 0.638 75 A CB -2.012 17.062 19.000 0.123 0.000 0.823 75 A HN 0.550 nan 8.150 nan 0.000 0.451 76 P HA -0.051 nan 4.420 nan 0.000 0.226 76 P C 1.050 178.396 177.300 0.077 0.000 1.153 76 P CA 1.201 64.338 63.100 0.062 0.000 0.777 76 P CB -0.091 31.642 31.700 0.055 0.000 0.794 77 I N -5.507 115.124 120.570 0.101 0.000 4.181 77 I HA 0.168 4.338 4.170 0.000 0.000 0.331 77 I C 1.986 178.243 176.117 0.234 0.000 1.312 77 I CA 0.120 61.528 61.300 0.181 0.000 1.146 77 I CB -1.080 37.074 38.000 0.257 0.000 1.074 77 I HN -0.237 nan 8.210 nan 0.000 0.402 78 M N 0.290 119.975 119.600 0.141 0.000 2.213 78 M HA -0.053 4.427 4.480 0.000 0.000 0.263 78 M C 1.784 178.207 176.300 0.206 0.000 1.062 78 M CA 2.148 57.538 55.300 0.151 0.000 1.105 78 M CB -1.595 31.046 32.600 0.068 0.000 1.385 78 M HN 0.188 nan 8.290 nan 0.000 0.417 79 T N 0.552 115.188 114.554 0.137 0.000 2.652 79 T HA -0.176 4.174 4.350 0.000 0.000 0.267 79 T C 1.821 176.627 174.700 0.177 0.000 1.039 79 T CA 2.113 64.287 62.100 0.125 0.000 1.153 79 T CB -0.491 68.400 68.868 0.038 0.000 0.863 79 T HN 0.604 nan 8.240 nan 0.000 0.428 80 E N 0.119 120.388 120.200 0.115 0.000 2.023 80 E HA -0.169 4.181 4.350 0.000 0.000 0.196 80 E C 2.042 178.660 176.600 0.029 0.000 1.003 80 E CA 1.442 57.856 56.400 0.023 0.000 0.809 80 E CB -0.878 28.769 29.700 -0.088 0.000 0.755 80 E HN 0.806 nan 8.360 nan 0.000 0.449 81 Y N -1.550 118.808 120.300 0.097 0.000 2.165 81 Y HA -0.149 4.401 4.550 0.000 0.000 0.286 81 Y C 2.222 178.194 175.900 0.121 0.000 1.155 81 Y CA 1.848 59.995 58.100 0.078 0.000 1.164 81 Y CB -0.496 37.978 38.460 0.024 0.000 0.978 81 Y HN 0.377 nan 8.280 nan 0.000 0.513 82 W N 1.281 122.670 121.300 0.149 0.000 2.358 82 W HA -0.230 4.430 4.660 -0.000 0.000 0.303 82 W C 2.464 179.030 176.519 0.079 0.000 1.208 82 W CA 2.177 59.584 57.345 0.103 0.000 1.274 82 W CB -0.200 29.311 29.460 0.086 0.000 1.138 82 W HN 0.124 nan 8.180 nan 0.000 0.515 83 E N 0.663 121.037 120.200 0.290 0.000 2.110 83 E HA -0.204 4.147 4.350 0.000 0.000 0.193 83 E C 1.823 178.414 176.600 -0.016 0.000 0.988 83 E CA 1.756 58.234 56.400 0.130 0.000 0.804 83 E CB -0.287 29.511 29.700 0.163 0.000 0.745 83 E HN 0.053 nan 8.360 nan 0.000 0.458 84 K N -0.155 120.240 120.400 -0.008 0.000 2.487 84 K HA 0.219 4.539 4.320 0.000 0.000 0.192 84 K C 0.646 177.229 176.600 -0.028 0.000 1.027 84 K CA 0.602 56.872 56.287 -0.029 0.000 1.054 84 K CB 0.236 32.707 32.500 -0.047 0.000 0.824 84 K HN 0.213 nan 8.250 nan 0.000 0.510 85 A N 1.882 124.663 122.820 -0.064 0.000 2.822 85 A HA -0.232 4.088 4.320 0.000 0.000 0.287 85 A C -0.312 177.303 177.584 0.052 0.000 1.479 85 A CA 1.135 53.134 52.037 -0.064 0.000 0.779 85 A CB -1.996 16.953 19.000 -0.086 0.000 1.022 85 A HN 0.500 nan 8.150 nan 0.000 0.532 86 E N -1.501 118.772 120.200 0.121 0.000 2.207 86 E HA 0.632 4.982 4.350 0.000 0.000 0.270 86 E C -0.482 176.277 176.600 0.265 0.000 0.927 86 E CA -0.858 55.671 56.400 0.216 0.000 0.799 86 E CB 1.201 31.039 29.700 0.230 0.000 1.172 86 E HN 0.473 nan 8.360 nan 0.000 0.404 87 F N 4.009 123.933 119.950 -0.043 0.000 2.396 87 F HA 0.292 4.819 4.527 0.000 0.000 0.343 87 F C -1.934 173.551 175.800 -0.525 0.000 1.104 87 F CA -2.437 55.317 58.000 -0.411 0.000 1.161 87 F CB 1.034 39.520 39.000 -0.857 0.000 1.146 87 F HN 0.201 nan 8.300 nan 0.000 0.522 88 P HA 0.119 nan 4.420 nan 0.000 0.232 88 P C 0.416 177.116 177.300 -1.000 0.000 1.814 88 P CA 0.175 62.502 63.100 -1.288 0.000 1.085 88 P CB -0.444 30.314 31.700 -1.570 0.000 1.901 89 F N 1.485 121.241 119.950 -0.324 0.000 2.154 89 F HA -0.260 4.267 4.527 0.000 0.000 0.301 89 F C 2.749 178.462 175.800 -0.144 0.000 1.087 89 F CA 1.674 59.613 58.000 -0.101 0.000 1.274 89 F CB -0.820 38.181 39.000 0.002 0.000 1.009 89 F HN 0.434 nan 8.300 nan 0.000 0.485 90 H N -0.883 118.199 119.070 0.021 0.000 2.518 90 H HA -0.115 4.441 4.556 0.000 0.000 0.289 90 H C 2.031 177.320 175.328 -0.065 0.000 1.051 90 H CA 1.324 57.370 56.048 -0.003 0.000 1.280 90 H CB -0.741 29.020 29.762 -0.001 0.000 1.380 90 H HN 0.345 nan 8.280 nan 0.000 0.566 91 I N 1.986 122.150 120.570 -0.677 0.000 3.059 91 I HA -0.121 4.049 4.170 0.000 0.000 0.270 91 I C 1.906 177.889 176.117 -0.224 0.000 1.238 91 I CA 0.513 61.516 61.300 -0.495 0.000 1.478 91 I CB -0.198 37.400 38.000 -0.670 0.000 1.097 91 I HN 0.149 nan 8.210 nan 0.000 0.455 92 T N 1.828 116.297 114.554 -0.143 0.000 2.635 92 T HA -0.132 4.218 4.350 0.000 0.000 0.267 92 T C -0.392 174.348 174.700 0.066 0.000 1.040 92 T CA 2.047 64.170 62.100 0.037 0.000 1.156 92 T CB -1.321 67.638 68.868 0.151 0.000 0.863 92 T HN 0.259 nan 8.240 nan 0.000 0.430 93 P HA -0.028 nan 4.420 nan 0.000 0.218 93 P C 1.468 178.793 177.300 0.041 0.000 1.149 93 P CA 0.985 64.120 63.100 0.059 0.000 0.817 93 P CB -0.025 31.711 31.700 0.059 0.000 0.785 94 K N -0.147 120.264 120.400 0.018 0.000 2.002 94 K HA -0.045 4.275 4.320 0.000 0.000 0.209 94 K C 2.137 178.747 176.600 0.017 0.000 1.048 94 K CA 1.165 57.458 56.287 0.010 0.000 0.930 94 K CB -1.255 31.236 32.500 -0.014 0.000 0.714 94 K HN 0.249 nan 8.250 nan 0.000 0.438 95 L N 0.527 121.763 121.223 0.022 0.000 2.127 95 L HA -0.141 4.199 4.340 0.000 0.000 0.211 95 L C 2.484 179.388 176.870 0.057 0.000 1.089 95 L CA 1.387 56.256 54.840 0.049 0.000 0.757 95 L CB -0.828 41.294 42.059 0.104 0.000 0.899 95 L HN 0.333 nan 8.230 nan 0.000 0.434 96 G N -0.890 107.948 108.800 0.062 0.000 2.464 96 G HA2 -0.074 3.886 3.960 0.000 0.000 0.217 96 G HA3 -0.074 3.886 3.960 0.000 0.000 0.217 96 G C 1.729 176.658 174.900 0.047 0.000 1.138 96 G CA 0.636 45.772 45.100 0.059 0.000 0.793 96 G HN 0.446 nan 8.290 nan 0.000 0.539 97 A N 0.506 123.350 122.820 0.040 0.000 1.970 97 A HA 0.210 4.531 4.320 0.000 0.000 0.216 97 A C 2.279 179.879 177.584 0.027 0.000 1.170 97 A CA 1.144 53.201 52.037 0.033 0.000 0.645 97 A CB -0.307 18.710 19.000 0.029 0.000 0.816 97 A HN 0.324 nan 8.150 nan 0.000 0.447 98 M N -0.922 118.692 119.600 0.025 0.000 2.337 98 M HA -0.097 4.383 4.480 0.000 0.000 0.261 98 M C 1.390 177.702 176.300 0.019 0.000 1.067 98 M CA 1.236 56.547 55.300 0.019 0.000 1.074 98 M CB -0.313 32.297 32.600 0.017 0.000 1.395 98 M HN 0.678 nan 8.290 nan 0.000 0.431 99 G N -0.504 108.311 108.800 0.025 0.000 2.221 99 G HA2 -0.223 3.737 3.960 0.000 0.000 0.265 99 G HA3 -0.223 3.737 3.960 0.000 0.000 0.265 99 G C 0.457 175.368 174.900 0.018 0.000 1.041 99 G CA 0.285 45.399 45.100 0.024 0.000 0.807 99 G HN 0.375 nan 8.290 nan 0.000 0.502 100 V N 0.337 120.262 119.914 0.019 0.000 2.492 100 V HA 0.401 4.521 4.120 0.000 0.000 0.241 100 V C 2.309 178.410 176.094 0.012 0.000 1.041 100 V CA 1.416 63.721 62.300 0.008 0.000 1.057 100 V CB -0.560 31.267 31.823 0.008 0.000 0.711 100 V HN 1.280 nan 8.190 nan 0.000 0.468 101 A N 0.555 123.395 122.820 0.033 0.000 2.584 101 A HA 0.382 4.702 4.320 0.000 0.000 0.239 101 A C 1.467 179.081 177.584 0.050 0.000 1.043 101 A CA 0.987 53.064 52.037 0.067 0.000 0.756 101 A CB -0.828 18.244 19.000 0.120 0.000 0.963 101 A HN 1.586 nan 8.150 nan 0.000 0.511 102 G N 1.509 110.320 108.800 0.018 0.000 2.144 102 G HA2 0.125 4.085 3.960 0.000 0.000 0.218 102 G HA3 0.125 4.085 3.960 0.000 0.000 0.218 102 G C 1.721 176.611 174.900 -0.016 0.000 0.988 102 G CA 0.719 45.817 45.100 -0.003 0.000 0.659 102 G HN 2.548 nan 8.290 nan 0.000 0.522 103 G N 0.727 109.508 108.800 -0.032 0.000 2.896 103 G HA2 -0.192 3.769 3.960 0.000 0.000 0.412 103 G HA3 -0.192 3.769 3.960 0.000 0.000 0.412 103 G C 1.755 176.635 174.900 -0.034 0.000 0.986 103 G CA 3.094 48.164 45.100 -0.049 0.000 0.812 103 G HN 2.188 nan 8.290 nan 0.000 0.907 104 S N -0.096 115.583 115.700 -0.035 0.000 2.597 104 S HA 0.466 4.936 4.470 0.000 0.000 0.224 104 S C 0.885 175.492 174.600 0.012 0.000 0.955 104 S CA -0.086 58.107 58.200 -0.011 0.000 0.933 104 S CB -0.121 63.078 63.200 -0.002 0.000 0.788 104 S HN 0.527 nan 8.310 nan 0.000 0.488 105 I N 2.907 123.486 120.570 0.014 0.000 2.598 105 I HA 0.096 4.266 4.170 0.000 0.000 0.284 105 I C 0.355 176.510 176.117 0.062 0.000 1.140 105 I CA 0.132 61.461 61.300 0.049 0.000 1.420 105 I CB 0.454 38.486 38.000 0.053 0.000 1.387 105 I HN 0.032 nan 8.210 nan 0.000 0.553 106 K N 5.794 126.239 120.400 0.075 0.000 2.211 106 K HA 0.552 4.872 4.320 0.000 0.000 0.275 106 K C 0.419 177.029 176.600 0.016 0.000 1.024 106 K CA -0.113 56.195 56.287 0.035 0.000 0.887 106 K CB 1.435 33.941 32.500 0.011 0.000 1.084 106 K HN 0.937 nan 8.250 nan 0.000 0.463 107 G N 1.860 110.631 108.800 -0.048 0.000 2.693 107 G HA2 -0.319 3.641 3.960 0.000 0.000 0.226 107 G HA3 -0.319 3.641 3.960 0.000 0.000 0.226 107 G C -0.400 174.459 174.900 -0.068 0.000 1.354 107 G CA -0.117 44.868 45.100 -0.191 0.000 0.873 107 G HN 0.686 nan 8.290 nan 0.000 0.562 108 Y N -1.450 118.848 120.300 -0.003 0.000 3.825 108 Y HA -0.081 4.469 4.550 0.000 0.000 0.221 108 Y C 2.277 178.180 175.900 0.006 0.000 1.195 108 Y CA 2.086 60.185 58.100 -0.000 0.000 1.699 108 Y CB -1.700 36.760 38.460 -0.000 0.000 1.531 108 Y HN 2.707 nan 8.280 nan 0.000 0.640 109 G N -2.185 106.661 108.800 0.077 0.000 2.143 109 G HA2 -0.319 3.641 3.960 0.000 0.000 0.248 109 G HA3 -0.319 3.641 3.960 0.000 0.000 0.248 109 G C 0.124 175.064 174.900 0.067 0.000 0.991 109 G CA -0.114 45.024 45.100 0.063 0.000 0.689 109 G HN 0.659 nan 8.290 nan 0.000 0.522 110 C N 0.372 119.716 119.300 0.072 0.000 2.358 110 C HA 0.647 5.107 4.460 0.000 0.000 0.354 110 C C 0.191 175.201 174.990 0.034 0.000 1.183 110 C CA -0.600 58.454 59.018 0.060 0.000 2.150 110 C CB 1.592 29.379 27.740 0.077 0.000 2.361 110 C HN 0.341 nan 8.230 nan 0.000 0.535 111 P HA 0.084 nan 4.420 nan 0.000 0.225 111 P C 0.758 178.062 177.300 0.007 0.000 1.156 111 P CA 1.539 64.647 63.100 0.014 0.000 0.787 111 P CB 0.056 31.763 31.700 0.012 0.000 0.802 112 G N 0.592 109.397 108.800 0.009 0.000 2.298 112 G HA2 -0.228 3.732 3.960 0.000 0.000 0.287 112 G HA3 -0.228 3.732 3.960 0.000 0.000 0.287 112 G C -0.111 174.788 174.900 -0.002 0.000 1.075 112 G CA -0.164 44.938 45.100 0.004 0.000 0.960 112 G HN 0.286 nan 8.290 nan 0.000 0.502 113 L N 0.428 121.647 121.223 -0.007 0.000 2.456 113 L HA 0.524 4.864 4.340 0.000 0.000 0.257 113 L C 1.593 178.452 176.870 -0.018 0.000 1.162 113 L CA -0.257 54.574 54.840 -0.015 0.000 0.808 113 L CB 0.915 42.958 42.059 -0.027 0.000 1.136 113 L HN 0.517 nan 8.230 nan 0.000 0.466 114 S N 0.321 116.008 115.700 -0.022 0.000 2.584 114 S HA 0.045 4.515 4.470 0.000 0.000 0.270 114 S C 0.917 175.491 174.600 -0.045 0.000 1.346 114 S CA -0.572 57.615 58.200 -0.022 0.000 1.018 114 S CB 0.872 64.061 63.200 -0.019 0.000 0.899 114 S HN 0.558 nan 8.310 nan 0.000 0.542 115 I N 1.795 122.350 120.570 -0.025 0.000 2.423 115 I HA -0.145 4.025 4.170 0.000 0.000 0.254 115 I C 2.186 178.201 176.117 -0.169 0.000 1.151 115 I CA 1.737 63.001 61.300 -0.060 0.000 1.421 115 I CB -0.565 37.468 38.000 0.054 0.000 1.079 115 I HN 0.901 nan 8.210 nan 0.000 0.431 116 T N 0.218 114.682 114.554 -0.150 0.000 2.896 116 T HA 0.042 4.392 4.350 0.000 0.000 0.263 116 T C 1.982 176.528 174.700 -0.257 0.000 1.050 116 T CA 0.971 62.933 62.100 -0.230 0.000 1.140 116 T CB -0.395 68.417 68.868 -0.093 0.000 0.877 116 T HN 0.456 nan 8.240 nan 0.000 0.457 117 A N 2.093 124.826 122.820 -0.145 0.000 1.933 117 A HA -0.158 4.162 4.320 0.000 0.000 0.218 117 A C 2.204 179.690 177.584 -0.163 0.000 1.175 117 A CA 1.694 53.661 52.037 -0.116 0.000 0.628 117 A CB -0.815 18.150 19.000 -0.058 0.000 0.814 117 A HN 0.586 nan 8.150 nan 0.000 0.444 118 N N -0.243 118.347 118.700 -0.184 0.000 2.171 118 N HA -0.076 4.664 4.740 0.000 0.000 0.184 118 N C 1.976 177.312 175.510 -0.290 0.000 1.021 118 N CA 0.985 53.923 53.050 -0.186 0.000 0.854 118 N CB -0.165 38.229 38.487 -0.155 0.000 0.994 118 N HN 0.390 nan 8.380 nan 0.000 0.426 119 A N 1.199 123.722 122.820 -0.496 0.000 1.902 119 A HA -0.143 4.177 4.320 0.000 0.000 0.217 119 A C 2.071 179.092 177.584 -0.939 0.000 1.181 119 A CA 1.003 52.476 52.037 -0.939 0.000 0.623 119 A CB -0.570 17.459 19.000 -1.619 0.000 0.818 119 A HN 0.409 nan 8.150 nan 0.000 0.443 120 I N -0.630 119.493 120.570 -0.745 0.000 2.617 120 I HA -0.006 4.164 4.170 0.000 0.000 0.256 120 I C 2.437 178.488 176.117 -0.109 0.000 1.167 120 I CA 1.066 62.138 61.300 -0.381 0.000 1.469 120 I CB -0.249 37.637 38.000 -0.189 0.000 1.098 120 I HN 0.261 nan 8.210 nan 0.000 0.436 121 A N -0.610 122.134 122.820 -0.125 0.000 1.898 121 A HA -0.166 4.154 4.320 0.000 0.000 0.216 121 A C 2.311 179.886 177.584 -0.015 0.000 1.181 121 A CA 2.245 54.253 52.037 -0.048 0.000 0.620 121 A CB -1.325 17.643 19.000 -0.054 0.000 0.819 121 A HN 0.426 nan 8.150 nan 0.000 0.442 122 T N 0.574 115.104 114.554 -0.040 0.000 2.665 122 T HA -0.126 4.225 4.350 0.000 0.000 0.268 122 T C 2.220 176.988 174.700 0.112 0.000 1.035 122 T CA 1.893 64.011 62.100 0.030 0.000 1.151 122 T CB -0.533 68.350 68.868 0.025 0.000 0.862 122 T HN 0.610 nan 8.240 nan 0.000 0.438 123 A N 1.606 124.533 122.820 0.178 0.000 1.902 123 A HA -0.130 4.190 4.320 0.000 0.000 0.217 123 A C 2.317 180.006 177.584 0.174 0.000 1.181 123 A CA 1.347 53.539 52.037 0.258 0.000 0.623 123 A CB -0.427 18.846 19.000 0.455 0.000 0.818 123 A HN 0.301 nan 8.150 nan 0.000 0.443 124 E N -0.127 120.149 120.200 0.128 0.000 2.150 124 E HA -0.112 4.238 4.350 0.000 0.000 0.193 124 E C 1.892 178.509 176.600 0.028 0.000 0.985 124 E CA 0.874 57.323 56.400 0.082 0.000 0.814 124 E CB -0.340 29.399 29.700 0.064 0.000 0.752 124 E HN 0.756 nan 8.360 nan 0.000 0.466 125 I N 0.686 121.277 120.570 0.036 0.000 2.193 125 I HA -0.189 3.981 4.170 0.000 0.000 0.240 125 I C 2.430 178.565 176.117 0.032 0.000 1.084 125 I CA 1.039 62.350 61.300 0.019 0.000 1.365 125 I CB -0.376 37.649 38.000 0.042 0.000 1.064 125 I HN -0.031 nan 8.210 nan 0.000 0.410 126 A N 0.665 123.532 122.820 0.077 0.000 1.978 126 A HA -0.256 4.064 4.320 0.000 0.000 0.220 126 A C 2.417 180.057 177.584 0.093 0.000 1.170 126 A CA 1.669 53.764 52.037 0.097 0.000 0.636 126 A CB -0.754 18.321 19.000 0.125 0.000 0.810 126 A HN 0.346 nan 8.150 nan 0.000 0.448 127 R N -0.660 119.896 120.500 0.094 0.000 2.103 127 R HA -0.131 4.209 4.340 0.000 0.000 0.242 127 R C 1.825 178.183 176.300 0.096 0.000 1.142 127 R CA 2.063 58.239 56.100 0.127 0.000 0.960 127 R CB -0.247 30.130 30.300 0.129 0.000 0.858 127 R HN 0.378 nan 8.270 nan 0.000 0.439 128 V N -0.720 119.131 119.914 -0.105 0.000 2.436 128 V HA -0.011 4.109 4.120 0.000 0.000 0.240 128 V C 0.191 176.265 176.094 -0.034 0.000 1.040 128 V CA 1.301 63.434 62.300 -0.280 0.000 1.052 128 V CB -0.027 31.487 31.823 -0.515 0.000 0.707 128 V HN 0.341 nan 8.190 nan 0.000 0.469 129 D N -2.024 118.365 120.400 -0.019 0.000 2.890 129 D HA 0.566 5.206 4.640 0.000 0.000 0.233 129 D C 0.415 176.758 176.300 0.071 0.000 1.306 129 D CA 0.303 54.318 54.000 0.026 0.000 0.929 129 D CB 1.917 42.723 40.800 0.009 0.000 1.512 129 D HN 0.112 nan 8.370 nan 0.000 0.568 130 A N 2.259 125.140 122.820 0.103 0.000 2.016 130 A HA -0.011 4.309 4.320 0.000 0.000 0.217 130 A C 1.967 179.666 177.584 0.191 0.000 1.162 130 A CA 1.015 53.135 52.037 0.138 0.000 0.662 130 A CB -0.229 18.848 19.000 0.128 0.000 0.812 130 A HN 0.501 nan 8.150 nan 0.000 0.450 131 S N -0.578 115.254 115.700 0.220 0.000 2.356 131 S HA -0.202 4.268 4.470 0.000 0.000 0.223 131 S C 1.954 176.713 174.600 0.264 0.000 1.032 131 S CA 1.521 59.878 58.200 0.262 0.000 1.005 131 S CB -0.662 62.702 63.200 0.273 0.000 0.867 131 S HN 0.739 nan 8.310 nan 0.000 0.449 132 C N 0.950 120.352 119.300 0.171 0.000 2.413 132 C HA -0.058 4.402 4.460 0.000 0.000 0.277 132 C C 3.193 178.348 174.990 0.275 0.000 1.265 132 C CA 1.100 60.232 59.018 0.190 0.000 1.752 132 C CB -1.411 26.358 27.740 0.047 0.000 1.998 132 C HN 0.668 nan 8.230 nan 0.000 0.489 133 S N 0.010 115.826 115.700 0.194 0.000 2.355 133 S HA -0.164 4.306 4.470 0.000 0.000 0.222 133 S C 1.898 176.607 174.600 0.182 0.000 1.031 133 S CA 2.289 60.586 58.200 0.162 0.000 0.993 133 S CB -0.482 62.801 63.200 0.139 0.000 0.859 133 S HN 0.664 nan 8.310 nan 0.000 0.453 134 T N 1.931 116.627 114.554 0.236 0.000 2.684 134 T HA -0.083 4.267 4.350 0.000 0.000 0.267 134 T C 1.341 176.179 174.700 0.230 0.000 1.036 134 T CA 1.534 63.783 62.100 0.247 0.000 1.148 134 T CB -0.649 68.421 68.868 0.336 0.000 0.863 134 T HN 0.536 nan 8.240 nan 0.000 0.436 135 F N 1.838 121.897 119.950 0.181 0.000 2.063 135 F HA -0.185 4.342 4.527 0.000 0.000 0.298 135 F C 1.911 177.796 175.800 0.142 0.000 1.109 135 F CA 1.286 59.402 58.000 0.193 0.000 1.212 135 F CB -0.678 38.525 39.000 0.337 0.000 0.973 135 F HN 0.126 nan 8.300 nan 0.000 0.480 136 I N -0.376 120.103 120.570 -0.152 0.000 2.286 136 I HA -0.226 3.944 4.170 0.000 0.000 0.245 136 I C 2.463 178.500 176.117 -0.132 0.000 1.104 136 I CA 1.043 62.176 61.300 -0.277 0.000 1.397 136 I CB -0.487 37.472 38.000 -0.067 0.000 1.072 136 I HN 0.269 nan 8.210 nan 0.000 0.417 137 L N 0.085 121.271 121.223 -0.061 0.000 2.017 137 L HA -0.211 4.129 4.340 0.000 0.000 0.208 137 L C 2.482 179.257 176.870 -0.157 0.000 1.073 137 L CA 1.445 56.232 54.840 -0.089 0.000 0.745 137 L CB -0.135 41.897 42.059 -0.045 0.000 0.894 137 L HN -0.026 nan 8.230 nan 0.000 0.432 138 V N -0.804 119.029 119.914 -0.134 0.000 2.427 138 V HA -0.320 3.801 4.120 0.000 0.000 0.248 138 V C 2.399 178.411 176.094 -0.137 0.000 1.051 138 V CA 2.046 64.256 62.300 -0.150 0.000 1.048 138 V CB -0.681 31.104 31.823 -0.064 0.000 0.666 138 V HN 0.675 nan 8.190 nan 0.000 0.456 139 H N -0.791 118.125 119.070 -0.257 0.000 2.357 139 H HA -0.119 4.437 4.556 0.000 0.000 0.301 139 H C 2.471 177.675 175.328 -0.206 0.000 1.082 139 H CA 2.265 58.153 56.048 -0.267 0.000 1.342 139 H CB 0.109 29.590 29.762 -0.468 0.000 1.389 139 H HN 0.373 nan 8.280 nan 0.000 0.511 140 S N -1.722 113.843 115.700 -0.223 0.000 2.517 140 S HA 0.095 4.565 4.470 0.000 0.000 0.228 140 S C 1.966 176.435 174.600 -0.219 0.000 1.060 140 S CA 0.449 58.516 58.200 -0.221 0.000 0.937 140 S CB -0.118 63.044 63.200 -0.063 0.000 0.840 140 S HN 0.413 nan 8.310 nan 0.000 0.546 141 S N 0.913 116.483 115.700 -0.216 0.000 2.603 141 S HA 0.374 4.845 4.470 0.000 0.000 0.220 141 S C 1.194 175.578 174.600 -0.360 0.000 0.967 141 S CA 0.161 58.212 58.200 -0.249 0.000 0.920 141 S CB 0.035 63.103 63.200 -0.220 0.000 0.773 141 S HN 0.377 nan 8.310 nan 0.000 0.529 142 L N -0.875 120.093 121.223 -0.425 0.000 2.666 142 L HA 0.304 4.644 4.340 0.000 0.000 0.184 142 L C 2.530 179.135 176.870 -0.442 0.000 1.092 142 L CA 0.632 55.049 54.840 -0.706 0.000 0.857 142 L CB -0.939 40.539 42.059 -0.968 0.000 1.281 142 L HN 0.328 nan 8.230 nan 0.000 0.489 143 G N 0.323 108.973 108.800 -0.250 0.000 2.480 143 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 143 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 143 G C 1.485 176.288 174.900 -0.161 0.000 1.200 143 G CA 0.913 45.949 45.100 -0.107 0.000 0.782 143 G HN 0.125 nan 8.290 nan 0.000 0.554 144 M N -0.434 119.009 119.600 -0.261 0.000 2.288 144 M HA 0.170 4.650 4.480 0.000 0.000 0.266 144 M C 2.405 178.619 176.300 -0.143 0.000 1.072 144 M CA 0.532 55.705 55.300 -0.211 0.000 1.132 144 M CB -0.152 32.305 32.600 -0.239 0.000 1.386 144 M HN 0.240 nan 8.290 nan 0.000 0.432 145 L N 0.137 121.269 121.223 -0.152 0.000 2.093 145 L HA -0.113 4.227 4.340 0.000 0.000 0.208 145 L C 2.184 179.008 176.870 -0.077 0.000 1.085 145 L CA 1.813 56.581 54.840 -0.120 0.000 0.755 145 L CB -0.655 41.307 42.059 -0.163 0.000 0.904 145 L HN 0.180 nan 8.230 nan 0.000 0.435 146 T N -0.175 114.356 114.554 -0.038 0.000 2.821 146 T HA -0.102 4.248 4.350 0.000 0.000 0.267 146 T C 1.931 176.620 174.700 -0.019 0.000 1.046 146 T CA 1.878 64.013 62.100 0.058 0.000 1.139 146 T CB -0.293 68.752 68.868 0.295 0.000 0.871 146 T HN 0.321 nan 8.240 nan 0.000 0.454 147 I N 1.355 121.889 120.570 -0.061 0.000 2.252 147 I HA -0.152 4.019 4.170 0.000 0.000 0.245 147 I C 2.921 178.964 176.117 -0.122 0.000 1.102 147 I CA 1.055 62.297 61.300 -0.095 0.000 1.385 147 I CB -0.473 37.470 38.000 -0.094 0.000 1.064 147 I HN 0.186 nan 8.210 nan 0.000 0.414 148 A N 0.942 123.690 122.820 -0.120 0.000 1.877 148 A HA -0.128 4.192 4.320 0.000 0.000 0.216 148 A C 2.262 179.795 177.584 -0.085 0.000 1.186 148 A CA 1.465 53.425 52.037 -0.130 0.000 0.620 148 A CB -0.771 18.183 19.000 -0.076 0.000 0.822 148 A HN 0.395 nan 8.150 nan 0.000 0.443 149 L N -1.697 119.494 121.223 -0.054 0.000 2.270 149 L HA -0.063 4.277 4.340 0.000 0.000 0.210 149 L C 1.666 178.512 176.870 -0.040 0.000 1.104 149 L CA 0.538 55.358 54.840 -0.032 0.000 0.804 149 L CB -0.077 41.973 42.059 -0.016 0.000 0.937 149 L HN 0.480 nan 8.230 nan 0.000 0.450 150 C N -0.896 118.372 119.300 -0.053 0.000 3.559 150 C HA 0.366 4.826 4.460 0.000 0.000 0.314 150 C C 1.420 176.354 174.990 -0.094 0.000 1.419 150 C CA -0.730 58.249 59.018 -0.065 0.000 1.775 150 C CB -0.335 27.372 27.740 -0.056 0.000 2.430 150 C HN 0.416 nan 8.230 nan 0.000 0.686 151 G N 1.320 110.060 108.800 -0.100 0.000 2.528 151 G HA2 0.461 4.422 3.960 0.000 0.000 0.289 151 G HA3 0.461 4.422 3.960 0.000 0.000 0.289 151 G C 0.137 174.981 174.900 -0.093 0.000 1.192 151 G CA 0.208 45.246 45.100 -0.104 0.000 0.921 151 G HN 0.483 nan 8.290 nan 0.000 0.512 152 S N -0.419 115.237 115.700 -0.074 0.000 2.614 152 S HA 0.213 4.683 4.470 0.000 0.000 0.265 152 S C 0.988 175.545 174.600 -0.072 0.000 1.303 152 S CA -0.340 57.827 58.200 -0.056 0.000 1.000 152 S CB 1.531 64.710 63.200 -0.034 0.000 0.935 152 S HN 0.555 nan 8.310 nan 0.000 0.551 153 E N 1.259 121.438 120.200 -0.035 0.000 2.085 153 E HA -0.130 4.220 4.350 0.000 0.000 0.194 153 E C 2.370 178.960 176.600 -0.017 0.000 0.994 153 E CA 1.615 58.013 56.400 -0.004 0.000 0.801 153 E CB -1.108 28.628 29.700 0.059 0.000 0.743 153 E HN 0.809 nan 8.360 nan 0.000 0.453 154 A N 1.193 123.998 122.820 -0.025 0.000 1.883 154 A HA -0.272 4.049 4.320 0.000 0.000 0.217 154 A C 2.191 179.715 177.584 -0.101 0.000 1.186 154 A CA 1.885 53.894 52.037 -0.047 0.000 0.624 154 A CB -0.616 18.360 19.000 -0.039 0.000 0.822 154 A HN 0.241 nan 8.150 nan 0.000 0.444 155 Q N -0.446 119.305 119.800 -0.082 0.000 2.050 155 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 155 Q C 2.161 178.118 176.000 -0.072 0.000 0.980 155 Q CA 1.901 57.675 55.803 -0.048 0.000 0.840 155 Q CB -0.187 28.589 28.738 0.062 0.000 0.898 155 Q HN 0.663 nan 8.270 nan 0.000 0.424 156 K N 0.345 120.646 120.400 -0.166 0.000 2.032 156 K HA -0.179 4.141 4.320 0.000 0.000 0.209 156 K C 1.993 178.488 176.600 -0.175 0.000 1.048 156 K CA 1.240 57.321 56.287 -0.344 0.000 0.927 156 K CB -0.014 31.952 32.500 -0.890 0.000 0.712 156 K HN 0.155 nan 8.250 nan 0.000 0.441 157 E N 0.720 120.898 120.200 -0.037 0.000 2.152 157 E HA -0.152 4.198 4.350 0.000 0.000 0.192 157 E C 1.875 178.464 176.600 -0.019 0.000 0.983 157 E CA 0.882 57.341 56.400 0.098 0.000 0.818 157 E CB 0.093 29.860 29.700 0.111 0.000 0.758 157 E HN 0.273 nan 8.360 nan 0.000 0.467 158 K N -0.307 119.998 120.400 -0.158 0.000 2.076 158 K HA -0.079 4.241 4.320 0.000 0.000 0.204 158 K C 1.585 178.016 176.600 -0.281 0.000 1.051 158 K CA 0.963 57.053 56.287 -0.327 0.000 0.949 158 K CB 0.104 32.204 32.500 -0.666 0.000 0.726 158 K HN 0.131 nan 8.250 nan 0.000 0.443 159 Y N -0.299 119.992 120.300 -0.017 0.000 2.524 159 Y HA 0.107 4.657 4.550 0.000 0.000 0.270 159 Y C 1.871 177.763 175.900 -0.014 0.000 1.094 159 Y CA -0.270 57.818 58.100 -0.020 0.000 1.276 159 Y CB 0.431 38.862 38.460 -0.049 0.000 1.130 159 Y HN -0.087 nan 8.280 nan 0.000 0.536 160 L N 0.159 121.452 121.223 0.117 0.000 2.095 160 L HA -0.034 4.306 4.340 0.000 0.000 0.204 160 L C -0.777 176.153 176.870 0.100 0.000 1.080 160 L CA 0.591 55.478 54.840 0.079 0.000 0.759 160 L CB -1.590 40.492 42.059 0.040 0.000 0.914 160 L HN 0.107 nan 8.230 nan 0.000 0.439 161 P HA -0.212 nan 4.420 nan 0.000 0.215 161 P C 1.946 179.303 177.300 0.095 0.000 1.157 161 P CA 1.718 64.876 63.100 0.095 0.000 0.874 161 P CB 0.082 31.830 31.700 0.080 0.000 0.790 162 S N -1.452 114.311 115.700 0.105 0.000 2.357 162 S HA -0.094 4.376 4.470 0.000 0.000 0.221 162 S C 1.804 176.489 174.600 0.142 0.000 1.031 162 S CA 0.763 59.032 58.200 0.116 0.000 0.982 162 S CB -0.988 62.285 63.200 0.123 0.000 0.853 162 S HN -0.141 nan 8.310 nan 0.000 0.458 163 L N 1.958 123.273 121.223 0.153 0.000 2.081 163 L HA -0.028 4.312 4.340 0.000 0.000 0.212 163 L C 2.716 179.734 176.870 0.247 0.000 1.080 163 L CA 1.908 56.870 54.840 0.204 0.000 0.754 163 L CB -1.446 40.650 42.059 0.063 0.000 0.893 163 L HN 0.432 nan 8.230 nan 0.000 0.433 164 A N -1.830 121.079 122.820 0.149 0.000 2.014 164 A HA -0.147 4.173 4.320 0.000 0.000 0.218 164 A C 2.043 179.695 177.584 0.114 0.000 1.163 164 A CA 0.892 53.004 52.037 0.125 0.000 0.652 164 A CB -0.263 18.789 19.000 0.087 0.000 0.808 164 A HN 0.443 nan 8.150 nan 0.000 0.449 165 Q N -1.159 118.707 119.800 0.110 0.000 2.451 165 Q HA 0.118 4.459 4.340 0.000 0.000 0.206 165 Q C 0.101 176.159 176.000 0.096 0.000 0.947 165 Q CA 0.065 55.923 55.803 0.091 0.000 0.937 165 Q CB 0.219 29.008 28.738 0.084 0.000 1.025 165 Q HN 0.446 nan 8.270 nan 0.000 0.511 166 L N 0.050 121.340 121.223 0.110 0.000 4.429 166 L HA -0.312 4.028 4.340 0.000 0.000 0.422 166 L C 0.638 177.583 176.870 0.126 0.000 1.149 166 L CA 0.933 55.824 54.840 0.084 0.000 0.972 166 L CB -2.531 39.569 42.059 0.069 0.000 2.059 166 L HN 0.365 nan 8.230 nan 0.000 0.870 167 N N -0.931 117.845 118.700 0.127 0.000 2.381 167 N HA -0.031 4.710 4.740 0.000 0.000 0.182 167 N C 0.704 176.301 175.510 0.144 0.000 1.025 167 N CA 1.294 54.420 53.050 0.126 0.000 0.888 167 N CB 0.197 38.748 38.487 0.105 0.000 0.965 167 N HN 0.717 nan 8.380 nan 0.000 0.438 168 T N -2.383 112.269 114.554 0.164 0.000 2.907 168 T HA 0.600 4.951 4.350 0.000 0.000 0.292 168 T C -0.553 174.284 174.700 0.228 0.000 1.043 168 T CA -0.879 61.327 62.100 0.177 0.000 1.003 168 T CB 2.519 71.479 68.868 0.153 0.000 1.084 168 T HN -0.339 nan 8.240 nan 0.000 0.483 169 V N 1.183 121.225 119.914 0.213 0.000 2.555 169 V HA 0.800 4.920 4.120 0.000 0.000 0.302 169 V C 0.252 176.454 176.094 0.180 0.000 1.038 169 V CA -0.787 61.657 62.300 0.241 0.000 0.887 169 V CB 1.446 33.398 31.823 0.215 0.000 0.991 169 V HN 1.330 nan 8.190 nan 0.000 0.434 170 A N 3.628 126.618 122.820 0.283 0.000 2.311 170 A HA 0.910 5.230 4.320 0.000 0.000 0.334 170 A C -0.172 177.403 177.584 -0.014 0.000 1.139 170 A CA -0.328 51.711 52.037 0.004 0.000 0.830 170 A CB 1.295 20.185 19.000 -0.183 0.000 1.234 170 A HN 1.358 nan 8.150 nan 0.000 0.483 171 C N -1.958 117.323 119.300 -0.032 0.000 3.213 171 C HA 0.911 5.372 4.460 0.000 0.000 0.319 171 C C -1.354 173.714 174.990 0.129 0.000 1.386 171 C CA -1.001 58.029 59.018 0.021 0.000 1.494 171 C CB 0.674 28.395 27.740 -0.032 0.000 1.905 171 C HN 1.040 nan 8.230 nan 0.000 0.456 172 W N 1.609 122.882 121.300 -0.045 0.000 2.631 172 W HA 0.624 5.284 4.660 0.000 0.000 0.321 172 W C -0.451 176.115 176.519 0.078 0.000 1.004 172 W CA -0.324 57.032 57.345 0.017 0.000 1.291 172 W CB 1.428 30.894 29.460 0.010 0.000 1.300 172 W HN 1.125 nan 8.180 nan 0.000 0.422 173 A N 6.211 128.983 122.820 -0.080 0.000 2.280 173 A HA 0.511 4.831 4.320 0.000 0.000 0.320 173 A C -0.447 177.075 177.584 -0.104 0.000 1.366 173 A CA -0.250 51.755 52.037 -0.053 0.000 0.938 173 A CB 0.822 19.796 19.000 -0.044 0.000 1.157 173 A HN 0.833 nan 8.150 nan 0.000 0.536 174 L N 2.764 123.902 121.223 -0.143 0.000 2.614 174 L HA 0.279 4.619 4.340 0.000 0.000 0.185 174 L C 1.078 177.928 176.870 -0.034 0.000 1.098 174 L CA 1.275 55.997 54.840 -0.196 0.000 0.852 174 L CB -0.068 41.698 42.059 -0.487 0.000 1.213 174 L HN 0.476 nan 8.230 nan 0.000 0.491 175 T N 1.966 116.547 114.554 0.045 0.000 2.934 175 T HA 0.191 4.541 4.350 0.000 0.000 0.306 175 T C -0.228 174.525 174.700 0.088 0.000 1.042 175 T CA 0.216 62.375 62.100 0.098 0.000 1.145 175 T CB 0.233 69.219 68.868 0.195 0.000 0.982 175 T HN 0.266 nan 8.240 nan 0.000 0.544 176 E N 2.898 123.142 120.200 0.074 0.000 2.359 176 E HA 0.268 4.618 4.350 0.000 0.000 0.266 176 E C -1.834 174.808 176.600 0.070 0.000 0.920 176 E CA -2.351 54.081 56.400 0.053 0.000 0.788 176 E CB 1.540 31.253 29.700 0.021 0.000 1.279 176 E HN 0.210 nan 8.360 nan 0.000 0.438 177 P HA -0.152 nan 4.420 nan 0.000 0.215 177 P C 0.266 177.595 177.300 0.048 0.000 1.153 177 P CA 1.249 64.378 63.100 0.048 0.000 0.853 177 P CB 0.229 31.937 31.700 0.013 0.000 0.788 178 D N -1.778 118.639 120.400 0.028 0.000 2.347 178 D HA 0.017 4.658 4.640 0.000 0.000 0.213 178 D C 0.144 176.453 176.300 0.015 0.000 0.985 178 D CA 0.798 54.809 54.000 0.019 0.000 0.879 178 D CB -0.228 40.575 40.800 0.006 0.000 0.919 178 D HN 0.159 nan 8.370 nan 0.000 0.526 179 N N -0.285 118.429 118.700 0.023 0.000 2.653 179 N HA 0.248 4.988 4.740 0.000 0.000 0.261 179 N C 0.285 175.811 175.510 0.027 0.000 1.216 179 N CA -0.113 52.940 53.050 0.004 0.000 0.784 179 N CB 1.966 40.438 38.487 -0.025 0.000 1.327 179 N HN 0.034 nan 8.380 nan 0.000 0.539 180 G N 0.368 109.190 108.800 0.037 0.000 2.687 180 G HA2 -0.028 3.932 3.960 0.000 0.000 0.222 180 G HA3 -0.028 3.932 3.960 0.000 0.000 0.222 180 G C 1.107 176.025 174.900 0.031 0.000 1.445 180 G CA 0.243 45.380 45.100 0.061 0.000 0.836 180 G HN 0.351 nan 8.290 nan 0.000 0.598 181 S N 0.661 116.372 115.700 0.019 0.000 2.383 181 S HA -0.050 4.420 4.470 0.000 0.000 0.227 181 S C 1.115 175.684 174.600 -0.052 0.000 1.026 181 S CA 0.958 59.160 58.200 0.003 0.000 0.981 181 S CB -0.125 63.089 63.200 0.022 0.000 0.818 181 S HN 0.401 nan 8.310 nan 0.000 0.472 182 D N 1.293 121.653 120.400 -0.066 0.000 2.713 182 D HA 0.444 5.084 4.640 0.000 0.000 0.229 182 D C 0.881 177.069 176.300 -0.186 0.000 1.136 182 D CA -0.078 53.839 54.000 -0.139 0.000 1.010 182 D CB 0.047 40.787 40.800 -0.099 0.000 1.084 182 D HN 0.185 nan 8.370 nan 0.000 0.495 183 A N 1.087 123.774 122.820 -0.223 0.000 1.968 183 A HA -0.121 4.199 4.320 0.000 0.000 0.217 183 A C 2.168 179.471 177.584 -0.469 0.000 1.169 183 A CA 1.363 53.273 52.037 -0.211 0.000 0.638 183 A CB -0.377 18.629 19.000 0.009 0.000 0.812 183 A HN 0.475 nan 8.150 nan 0.000 0.446 184 S N -0.758 114.357 115.700 -0.974 0.000 2.515 184 S HA 0.144 4.614 4.470 0.000 0.000 0.231 184 S C 1.383 175.707 174.600 -0.459 0.000 0.987 184 S CA 0.870 58.380 58.200 -1.151 0.000 0.936 184 S CB -0.394 61.927 63.200 -1.464 0.000 0.766 184 S HN 0.649 nan 8.310 nan 0.000 0.528 185 G N 2.657 111.265 108.800 -0.319 0.000 3.702 185 G HA2 0.407 4.367 3.960 0.000 0.000 0.288 185 G HA3 0.407 4.367 3.960 0.000 0.000 0.288 185 G C 0.325 175.158 174.900 -0.111 0.000 1.193 185 G CA -0.624 44.372 45.100 -0.174 0.000 0.952 185 G HN 0.583 nan 8.290 nan 0.000 0.544 186 L N -1.358 119.803 121.223 -0.104 0.000 2.473 186 L HA 0.609 4.950 4.340 0.000 0.000 0.268 186 L C 0.718 177.572 176.870 -0.026 0.000 1.215 186 L CA 0.654 55.463 54.840 -0.051 0.000 0.823 186 L CB 1.103 43.144 42.059 -0.030 0.000 1.099 186 L HN 0.017 nan 8.230 nan 0.000 0.483 187 G N 1.065 109.856 108.800 -0.015 0.000 3.062 187 G HA2 0.043 4.003 3.960 0.000 0.000 0.228 187 G HA3 0.043 4.003 3.960 0.000 0.000 0.228 187 G C 0.476 175.373 174.900 -0.005 0.000 1.094 187 G CA -0.058 45.036 45.100 -0.009 0.000 0.782 187 G HN 0.680 nan 8.290 nan 0.000 0.541 188 T N 2.602 117.153 114.554 -0.004 0.000 2.831 188 T HA 0.347 4.697 4.350 0.000 0.000 0.291 188 T C 0.838 175.533 174.700 -0.010 0.000 0.981 188 T CA 0.547 62.640 62.100 -0.012 0.000 1.174 188 T CB 0.648 69.507 68.868 -0.015 0.000 0.929 188 T HN 0.367 nan 8.240 nan 0.000 0.532 189 T N 0.343 114.887 114.554 -0.017 0.000 2.934 189 T HA 0.725 5.075 4.350 0.000 0.000 0.283 189 T C -0.327 174.347 174.700 -0.043 0.000 1.005 189 T CA -1.106 60.991 62.100 -0.004 0.000 1.041 189 T CB 1.587 70.463 68.868 0.013 0.000 1.042 189 T HN 0.617 nan 8.240 nan 0.000 0.505 190 A N 1.673 124.493 122.820 0.000 0.000 2.375 190 A HA 0.627 4.947 4.320 0.000 0.000 0.291 190 A C -0.070 177.677 177.584 0.273 0.000 1.160 190 A CA -0.819 51.207 52.037 -0.019 0.000 0.747 190 A CB 1.017 19.854 19.000 -0.271 0.000 1.170 190 A HN 0.819 nan 8.150 nan 0.000 0.458 191 T N 2.440 117.127 114.554 0.221 0.000 2.756 191 T HA 0.307 4.657 4.350 0.000 0.000 0.290 191 T C 0.098 174.823 174.700 0.041 0.000 0.985 191 T CA -0.341 61.850 62.100 0.151 0.000 0.955 191 T CB 0.768 69.669 68.868 0.056 0.000 0.930 191 T HN 0.615 nan 8.240 nan 0.000 0.451 192 K N 3.768 124.045 120.400 -0.205 0.000 2.472 192 K HA 0.253 4.573 4.320 0.000 0.000 0.280 192 K C 0.031 176.433 176.600 -0.330 0.000 1.028 192 K CA -0.042 55.832 56.287 -0.690 0.000 1.045 192 K CB -0.184 31.869 32.500 -0.745 0.000 0.902 192 K HN 0.475 nan 8.250 nan 0.000 0.478 193 V N 0.327 120.065 119.914 -0.293 0.000 3.145 193 V HA 0.572 4.693 4.120 0.000 0.000 0.311 193 V C -0.921 175.109 176.094 -0.106 0.000 1.238 193 V CA -1.091 61.137 62.300 -0.121 0.000 1.066 193 V CB 1.549 33.368 31.823 -0.006 0.000 1.144 193 V HN 0.603 nan 8.190 nan 0.000 0.465 194 E N 1.400 121.569 120.200 -0.053 0.000 2.220 194 E HA 0.527 4.877 4.350 0.000 0.000 0.272 194 E C 0.841 177.453 176.600 0.020 0.000 1.099 194 E CA 0.810 57.186 56.400 -0.039 0.000 0.907 194 E CB 0.028 29.699 29.700 -0.047 0.000 1.022 194 E HN 1.579 nan 8.360 nan 0.000 0.428 195 G N 1.636 110.458 108.800 0.037 0.000 2.157 195 G HA2 -0.048 3.912 3.960 0.000 0.000 0.239 195 G HA3 -0.048 3.912 3.960 0.000 0.000 0.239 195 G C 0.606 175.657 174.900 0.252 0.000 0.982 195 G CA 0.087 45.266 45.100 0.132 0.000 0.650 195 G HN 1.146 nan 8.290 nan 0.000 0.527 196 G N -1.819 107.059 108.800 0.131 0.000 2.513 196 G HA2 0.452 4.412 3.960 0.000 0.000 0.182 196 G HA3 0.452 4.412 3.960 0.000 0.000 0.182 196 G C -1.538 173.226 174.900 -0.227 0.000 1.190 196 G CA -0.020 45.091 45.100 0.019 0.000 0.987 196 G HN 0.859 nan 8.290 nan 0.000 0.479 197 W N -0.065 121.154 121.300 -0.134 0.000 2.950 197 W HA 0.792 5.452 4.660 0.000 0.000 0.340 197 W C -0.378 176.062 176.519 -0.132 0.000 1.139 197 W CA -0.702 56.560 57.345 -0.139 0.000 1.188 197 W CB 2.364 31.662 29.460 -0.270 0.000 1.426 197 W HN 0.429 nan 8.180 nan 0.000 0.531 198 K N 2.457 122.940 120.400 0.138 0.000 2.394 198 K HA 0.479 4.799 4.320 0.000 0.000 0.260 198 K C -1.008 175.576 176.600 -0.027 0.000 0.967 198 K CA -0.347 55.988 56.287 0.080 0.000 0.855 198 K CB 0.540 33.095 32.500 0.092 0.000 1.101 198 K HN 0.264 nan 8.250 nan 0.000 0.433 199 I N 3.449 123.957 120.570 -0.102 0.000 2.353 199 I HA 0.373 4.543 4.170 0.000 0.000 0.293 199 I C -0.344 175.723 176.117 -0.083 0.000 0.992 199 I CA -0.583 60.617 61.300 -0.167 0.000 1.268 199 I CB 1.239 39.081 38.000 -0.262 0.000 1.387 199 I HN 0.525 nan 8.210 nan 0.000 0.478 200 N N 4.145 122.805 118.700 -0.067 0.000 2.295 200 N HA 0.777 5.517 4.740 0.000 0.000 0.293 200 N C -0.078 175.411 175.510 -0.036 0.000 1.040 200 N CA -0.249 52.778 53.050 -0.039 0.000 0.840 200 N CB 3.075 41.550 38.487 -0.020 0.000 1.468 200 N HN 0.956 nan 8.380 nan 0.000 0.478 201 G N 0.454 109.236 108.800 -0.030 0.000 2.352 201 G HA2 0.126 4.086 3.960 0.000 0.000 0.283 201 G HA3 0.126 4.086 3.960 0.000 0.000 0.283 201 G C -2.122 172.763 174.900 -0.023 0.000 1.308 201 G CA -0.652 44.433 45.100 -0.024 0.000 0.892 201 G HN 0.487 nan 8.290 nan 0.000 0.504 202 Q N -0.180 119.609 119.800 -0.019 0.000 2.289 202 Q HA 0.591 4.932 4.340 0.000 0.000 0.270 202 Q C -1.256 174.736 176.000 -0.013 0.000 1.038 202 Q CA -0.898 54.894 55.803 -0.019 0.000 0.812 202 Q CB 1.665 30.392 28.738 -0.019 0.000 1.300 202 Q HN 0.376 nan 8.270 nan 0.000 0.427 203 K N 2.544 122.935 120.400 -0.015 0.000 2.267 203 K HA 0.604 4.924 4.320 0.000 0.000 0.246 203 K C -1.017 175.581 176.600 -0.004 0.000 0.954 203 K CA -0.694 55.594 56.287 0.001 0.000 0.824 203 K CB 2.241 34.742 32.500 0.001 0.000 1.167 203 K HN 0.686 nan 8.250 nan 0.000 0.431 204 R N 0.149 120.668 120.500 0.032 0.000 2.651 204 R HA 0.241 4.582 4.340 0.000 0.000 0.278 204 R C -0.880 175.505 176.300 0.141 0.000 1.010 204 R CA -0.270 55.817 56.100 -0.021 0.000 0.896 204 R CB 0.881 31.133 30.300 -0.081 0.000 1.211 204 R HN 0.772 nan 8.270 nan 0.000 0.456 205 W N 2.267 123.600 121.300 0.055 0.000 2.025 205 W HA -0.196 4.464 4.660 -0.000 0.000 0.270 205 W C -0.569 176.000 176.519 0.083 0.000 1.076 205 W CA -0.258 57.134 57.345 0.078 0.000 0.477 205 W CB -1.344 28.173 29.460 0.096 0.000 2.104 205 W HN 0.381 nan 8.180 nan 0.000 1.210 206 I N 1.764 122.470 120.570 0.228 0.000 2.406 206 I HA 0.288 4.458 4.170 0.000 0.000 0.293 206 I C 1.465 177.666 176.117 0.139 0.000 1.101 206 I CA 0.793 62.197 61.300 0.172 0.000 1.334 206 I CB -0.060 38.001 38.000 0.101 0.000 1.421 206 I HN 0.034 nan 8.210 nan 0.000 0.513 207 G N 4.462 113.359 108.800 0.162 0.000 2.398 207 G HA2 0.190 4.150 3.960 0.000 0.000 0.246 207 G HA3 0.190 4.150 3.960 0.000 0.000 0.246 207 G C 0.672 175.590 174.900 0.030 0.000 1.289 207 G CA -0.157 45.027 45.100 0.141 0.000 0.869 207 G HN 0.777 nan 8.290 nan 0.000 0.543 208 N N -0.249 118.419 118.700 -0.052 0.000 2.946 208 N HA -0.310 4.430 4.740 0.000 0.000 0.207 208 N C 1.944 177.121 175.510 -0.555 0.000 0.906 208 N CA 1.939 54.703 53.050 -0.477 0.000 1.035 208 N CB -1.436 36.811 38.487 -0.401 0.000 0.998 208 N HN 0.835 nan 8.380 nan 0.000 0.595 209 S N -0.220 115.359 115.700 -0.202 0.000 2.407 209 S HA -0.213 4.257 4.470 0.000 0.000 0.235 209 S C 1.863 176.401 174.600 -0.102 0.000 1.036 209 S CA 2.157 60.277 58.200 -0.133 0.000 1.013 209 S CB -1.092 62.083 63.200 -0.041 0.000 0.820 209 S HN 0.647 nan 8.310 nan 0.000 0.476 210 T N -1.039 113.499 114.554 -0.028 0.000 3.072 210 T HA 0.120 4.470 4.350 0.000 0.000 0.266 210 T C 1.003 175.840 174.700 0.229 0.000 1.127 210 T CA 0.715 62.887 62.100 0.120 0.000 1.107 210 T CB -0.771 68.224 68.868 0.210 0.000 0.910 210 T HN 0.835 nan 8.240 nan 0.000 0.513 211 F N -0.830 119.158 119.950 0.063 0.000 3.031 211 F HA 0.778 5.305 4.527 0.000 0.000 0.365 211 F C 0.358 176.208 175.800 0.083 0.000 1.128 211 F CA -1.639 56.410 58.000 0.082 0.000 1.068 211 F CB -0.202 38.901 39.000 0.172 0.000 1.280 211 F HN 0.151 nan 8.300 nan 0.000 0.529 212 A N 1.454 124.059 122.820 -0.359 0.000 2.498 212 A HA 0.177 4.497 4.320 0.000 0.000 0.239 212 A C 0.971 178.528 177.584 -0.045 0.000 1.068 212 A CA 0.346 52.247 52.037 -0.226 0.000 0.766 212 A CB 0.067 18.927 19.000 -0.234 0.000 1.003 212 A HN 0.487 nan 8.150 nan 0.000 0.497 213 D N 0.443 120.850 120.400 0.012 0.000 2.213 213 D HA 0.046 4.686 4.640 0.000 0.000 0.205 213 D C -0.274 176.008 176.300 -0.030 0.000 0.961 213 D CA 1.126 55.141 54.000 0.026 0.000 0.853 213 D CB 0.132 40.974 40.800 0.070 0.000 0.967 213 D HN 0.277 nan 8.370 nan 0.000 0.496 214 L N 0.832 122.015 121.223 -0.066 0.000 2.362 214 L HA 0.345 4.685 4.340 0.000 0.000 0.275 214 L C -1.071 175.723 176.870 -0.127 0.000 0.998 214 L CA -0.547 54.207 54.840 -0.143 0.000 0.820 214 L CB 2.076 44.003 42.059 -0.220 0.000 1.270 214 L HN -0.212 nan 8.230 nan 0.000 0.415 215 L N 5.097 126.237 121.223 -0.140 0.000 2.388 215 L HA 0.461 4.802 4.340 0.000 0.000 0.267 215 L C -0.568 176.208 176.870 -0.156 0.000 0.995 215 L CA -0.152 54.617 54.840 -0.118 0.000 0.864 215 L CB 1.207 43.209 42.059 -0.095 0.000 1.216 215 L HN 0.320 nan 8.230 nan 0.000 0.430 216 I N 5.008 125.480 120.570 -0.162 0.000 2.389 216 I HA 0.120 4.291 4.170 0.000 0.000 0.295 216 I C -0.107 175.778 176.117 -0.387 0.000 1.117 216 I CA 0.428 61.558 61.300 -0.283 0.000 1.317 216 I CB -0.110 37.753 38.000 -0.229 0.000 1.431 216 I HN 0.287 nan 8.210 nan 0.000 0.521 217 I N 7.131 127.487 120.570 -0.356 0.000 2.321 217 I HA 0.238 4.409 4.170 0.000 0.000 0.291 217 I C -0.155 175.750 176.117 -0.353 0.000 0.998 217 I CA -0.492 60.648 61.300 -0.266 0.000 1.227 217 I CB 0.434 38.352 38.000 -0.137 0.000 1.368 217 I HN 0.225 nan 8.210 nan 0.000 0.466 218 F N 4.973 124.789 119.950 -0.224 0.000 2.421 218 F HA 0.542 5.070 4.527 0.000 0.000 0.358 218 F C 0.711 176.473 175.800 -0.063 0.000 1.115 218 F CA -0.141 57.754 58.000 -0.175 0.000 1.160 218 F CB 1.079 39.903 39.000 -0.293 0.000 1.123 218 F HN 0.554 nan 8.300 nan 0.000 0.508 219 A N 4.320 127.233 122.820 0.156 0.000 2.475 219 A HA 0.672 4.992 4.320 0.000 0.000 0.301 219 A C -0.654 177.006 177.584 0.127 0.000 1.059 219 A CA -1.013 51.082 52.037 0.097 0.000 0.710 219 A CB 1.267 20.245 19.000 -0.037 0.000 1.288 219 A HN 0.728 nan 8.150 nan 0.000 0.408 220 R N 1.896 122.440 120.500 0.072 0.000 2.296 220 R HA 0.089 4.429 4.340 0.000 0.000 0.323 220 R C -0.206 176.149 176.300 0.092 0.000 1.067 220 R CA -0.390 55.754 56.100 0.074 0.000 0.946 220 R CB 0.260 30.589 30.300 0.049 0.000 0.991 220 R HN 0.765 nan 8.270 nan 0.000 0.448 221 N N 2.835 121.600 118.700 0.109 0.000 2.434 221 N HA -0.085 4.655 4.740 0.000 0.000 0.268 221 N C 0.624 176.253 175.510 0.198 0.000 1.256 221 N CA 0.511 53.676 53.050 0.192 0.000 0.914 221 N CB 1.259 39.836 38.487 0.149 0.000 1.088 221 N HN 0.700 nan 8.380 nan 0.000 0.478 222 T N 0.035 114.725 114.554 0.226 0.000 3.160 222 T HA -0.005 4.345 4.350 0.000 0.000 0.257 222 T C 1.289 176.062 174.700 0.122 0.000 1.147 222 T CA 0.879 63.062 62.100 0.138 0.000 1.064 222 T CB -0.107 68.823 68.868 0.103 0.000 0.949 222 T HN 0.386 nan 8.240 nan 0.000 0.526 223 T N 2.366 117.019 114.554 0.165 0.000 2.901 223 T HA -0.013 4.337 4.350 0.000 0.000 0.252 223 T C 2.300 177.062 174.700 0.103 0.000 1.035 223 T CA 1.678 63.848 62.100 0.118 0.000 1.142 223 T CB -0.479 68.465 68.868 0.127 0.000 0.869 223 T HN 0.736 nan 8.240 nan 0.000 0.442 224 T N -0.538 114.092 114.554 0.126 0.000 3.065 224 T HA 0.137 4.487 4.350 0.000 0.000 0.252 224 T C 1.018 175.761 174.700 0.071 0.000 1.099 224 T CA 0.338 62.493 62.100 0.091 0.000 1.063 224 T CB -0.382 68.544 68.868 0.096 0.000 0.948 224 T HN 0.438 nan 8.240 nan 0.000 0.506 225 N N 0.946 119.693 118.700 0.078 0.000 2.708 225 N HA -0.158 4.582 4.740 0.000 0.000 0.251 225 N C -0.830 174.710 175.510 0.050 0.000 1.123 225 N CA 0.497 53.582 53.050 0.058 0.000 0.739 225 N CB -0.392 38.119 38.487 0.041 0.000 1.113 225 N HN 0.578 nan 8.380 nan 0.000 0.561 226 Q N 0.330 120.166 119.800 0.059 0.000 2.306 226 Q HA 0.465 4.806 4.340 0.000 0.000 0.269 226 Q C 0.355 176.390 176.000 0.059 0.000 1.053 226 Q CA -0.567 55.269 55.803 0.054 0.000 0.879 226 Q CB 1.419 30.186 28.738 0.049 0.000 1.344 226 Q HN 0.257 nan 8.270 nan 0.000 0.464 227 I N 2.209 122.824 120.570 0.075 0.000 2.416 227 I HA 0.094 4.264 4.170 0.000 0.000 0.288 227 I C 0.057 176.198 176.117 0.041 0.000 1.051 227 I CA -0.095 61.263 61.300 0.097 0.000 1.375 227 I CB 0.413 38.516 38.000 0.173 0.000 1.407 227 I HN 0.312 nan 8.210 nan 0.000 0.516 228 N N 3.666 122.356 118.700 -0.017 0.000 2.531 228 N HA 0.664 5.404 4.740 0.000 0.000 0.290 228 N C -0.346 174.912 175.510 -0.421 0.000 1.257 228 N CA -0.573 52.305 53.050 -0.286 0.000 0.863 228 N CB 1.916 40.075 38.487 -0.548 0.000 1.320 228 N HN 0.647 nan 8.380 nan 0.000 0.538 229 G N -0.269 108.012 108.800 -0.864 0.000 2.513 229 G HA2 0.705 4.665 3.960 0.000 0.000 0.317 229 G HA3 0.705 4.665 3.960 0.000 0.000 0.317 229 G C -1.538 172.635 174.900 -1.211 0.000 1.277 229 G CA -0.303 44.181 45.100 -1.027 0.000 0.955 229 G HN 0.270 nan 8.290 nan 0.000 0.484 230 F N 0.625 120.235 119.950 -0.567 0.000 2.556 230 F HA 0.453 4.980 4.527 0.000 0.000 0.314 230 F C 0.226 175.803 175.800 -0.372 0.000 1.106 230 F CA -0.906 56.839 58.000 -0.426 0.000 0.911 230 F CB 2.363 41.130 39.000 -0.389 0.000 1.190 230 F HN 0.226 nan 8.300 nan 0.000 0.448 231 I N 4.107 124.588 120.570 -0.150 0.000 2.278 231 I HA 0.234 4.404 4.170 0.000 0.000 0.296 231 I C -0.407 175.618 176.117 -0.154 0.000 1.121 231 I CA -0.425 60.750 61.300 -0.209 0.000 1.267 231 I CB 0.139 37.962 38.000 -0.295 0.000 1.447 231 I HN 0.236 nan 8.210 nan 0.000 0.509 232 V N 6.779 126.607 119.914 -0.142 0.000 2.785 232 V HA 0.304 4.424 4.120 0.000 0.000 0.300 232 V C 0.427 176.457 176.094 -0.106 0.000 1.062 232 V CA -0.714 61.521 62.300 -0.109 0.000 1.029 232 V CB 1.472 33.238 31.823 -0.096 0.000 1.024 232 V HN 0.520 nan 8.190 nan 0.000 0.477 233 K N 2.736 123.099 120.400 -0.062 0.000 2.123 233 K HA 0.349 4.670 4.320 0.000 0.000 0.259 233 K C -0.154 176.435 176.600 -0.018 0.000 0.960 233 K CA -0.913 55.352 56.287 -0.038 0.000 0.872 233 K CB 1.124 33.625 32.500 0.003 0.000 1.079 233 K HN 0.598 nan 8.250 nan 0.000 0.440 234 K N 2.231 122.625 120.400 -0.009 0.000 2.530 234 K HA -0.168 4.153 4.320 0.000 0.000 0.280 234 K C -0.660 175.951 176.600 0.019 0.000 1.004 234 K CA 0.922 57.214 56.287 0.008 0.000 1.071 234 K CB 0.114 32.630 32.500 0.026 0.000 0.876 234 K HN 0.574 nan 8.250 nan 0.000 0.487 235 D N 0.200 120.611 120.400 0.018 0.000 3.077 235 D HA -0.178 4.462 4.640 0.000 0.000 0.212 235 D C -0.360 175.954 176.300 0.024 0.000 1.125 235 D CA 1.276 55.289 54.000 0.022 0.000 0.970 235 D CB -1.489 39.327 40.800 0.027 0.000 1.110 235 D HN 0.729 nan 8.370 nan 0.000 0.419 236 A N 0.721 123.554 122.820 0.022 0.000 2.540 236 A HA 0.373 4.693 4.320 0.000 0.000 0.239 236 A C -1.976 175.626 177.584 0.030 0.000 1.061 236 A CA -0.410 51.647 52.037 0.033 0.000 0.758 236 A CB 0.137 19.153 19.000 0.027 0.000 0.991 236 A HN -0.096 nan 8.150 nan 0.000 0.502 237 P HA 0.296 nan 4.420 nan 0.000 0.263 237 P C 0.997 178.312 177.300 0.026 0.000 1.195 237 P CA 1.644 64.761 63.100 0.028 0.000 0.762 237 P CB 0.695 32.412 31.700 0.029 0.000 0.799 238 G N 1.810 110.619 108.800 0.014 0.000 2.176 238 G HA2 -0.219 3.742 3.960 0.000 0.000 0.232 238 G HA3 -0.219 3.742 3.960 0.000 0.000 0.232 238 G C -0.369 174.532 174.900 0.000 0.000 0.986 238 G CA -0.231 44.873 45.100 0.008 0.000 0.643 238 G HN 0.586 nan 8.290 nan 0.000 0.522 239 L N 0.824 122.048 121.223 0.001 0.000 2.295 239 L HA 0.871 5.211 4.340 0.000 0.000 0.285 239 L C -0.102 176.766 176.870 -0.003 0.000 1.035 239 L CA -0.651 54.185 54.840 -0.006 0.000 0.806 239 L CB 1.433 43.487 42.059 -0.008 0.000 1.214 239 L HN 0.130 nan 8.230 nan 0.000 0.426 240 K N 4.446 124.842 120.400 -0.008 0.000 2.652 240 K HA 0.735 5.056 4.320 0.000 0.000 0.249 240 K C -1.743 174.853 176.600 -0.007 0.000 0.986 240 K CA -0.455 55.830 56.287 -0.004 0.000 0.867 240 K CB 1.433 33.930 32.500 -0.004 0.000 1.201 240 K HN 0.743 nan 8.250 nan 0.000 0.450 241 A N 2.626 125.446 122.820 -0.001 0.000 2.303 241 A HA 0.624 4.944 4.320 0.000 0.000 0.320 241 A C -0.407 177.183 177.584 0.011 0.000 1.192 241 A CA -0.497 51.539 52.037 -0.001 0.000 0.821 241 A CB 0.964 19.963 19.000 -0.003 0.000 1.188 241 A HN 0.688 nan 8.150 nan 0.000 0.492 242 T N -0.280 114.274 114.554 -0.000 0.000 2.907 242 T HA 0.555 4.905 4.350 0.000 0.000 0.292 242 T C -0.416 174.282 174.700 -0.003 0.000 1.043 242 T CA -0.906 61.197 62.100 0.005 0.000 1.003 242 T CB 1.380 70.244 68.868 -0.006 0.000 1.084 242 T HN 0.610 nan 8.240 nan 0.000 0.483 243 K N 1.776 122.185 120.400 0.015 0.000 2.368 243 K HA 0.307 4.627 4.320 0.000 0.000 0.282 243 K C -0.440 176.144 176.600 -0.026 0.000 1.035 243 K CA -0.497 55.802 56.287 0.020 0.000 0.973 243 K CB 0.218 32.748 32.500 0.050 0.000 0.957 243 K HN 0.593 nan 8.250 nan 0.000 0.474 244 I N 8.193 128.731 120.570 -0.052 0.000 2.322 244 I HA 0.142 4.312 4.170 0.000 0.000 0.292 244 I C -1.638 174.454 176.117 -0.042 0.000 1.060 244 I CA -1.834 59.396 61.300 -0.117 0.000 1.309 244 I CB 0.818 38.650 38.000 -0.280 0.000 1.415 244 I HN 0.555 nan 8.210 nan 0.000 0.492 245 P HA 0.293 nan 4.420 nan 0.000 0.284 245 P C -0.566 176.735 177.300 0.003 0.000 1.292 245 P CA -0.350 62.744 63.100 -0.009 0.000 0.800 245 P CB 0.576 32.270 31.700 -0.010 0.000 1.188 246 N N -2.777 115.923 118.700 0.000 0.000 2.741 246 N HA -0.143 4.597 4.740 0.000 0.000 0.250 246 N C -0.468 175.063 175.510 0.035 0.000 1.115 246 N CA 0.973 54.029 53.050 0.009 0.000 0.724 246 N CB -1.835 36.663 38.487 0.018 0.000 1.090 246 N HN 0.567 nan 8.380 nan 0.000 0.558 247 K N 0.751 121.175 120.400 0.039 0.000 2.326 247 K HA 0.231 4.551 4.320 0.000 0.000 0.275 247 K C 1.953 178.553 176.600 0.001 0.000 1.018 247 K CA -0.140 56.194 56.287 0.080 0.000 0.962 247 K CB 0.933 33.508 32.500 0.125 0.000 0.953 247 K HN 0.279 nan 8.250 nan 0.000 0.475 248 I N -1.675 118.924 120.570 0.049 0.000 2.852 248 I HA 0.128 4.298 4.170 0.000 0.000 0.264 248 I C 0.774 176.967 176.117 0.128 0.000 1.179 248 I CA 0.216 61.553 61.300 0.061 0.000 1.480 248 I CB 0.306 38.371 38.000 0.108 0.000 1.111 248 I HN 0.447 nan 8.210 nan 0.000 0.441 249 G N 0.506 109.386 108.800 0.133 0.000 2.630 249 G HA2 0.591 4.551 3.960 0.000 0.000 0.296 249 G HA3 0.591 4.551 3.960 0.000 0.000 0.296 249 G C -0.139 174.880 174.900 0.199 0.000 1.285 249 G CA -0.927 44.328 45.100 0.258 0.000 0.958 249 G HN 0.295 nan 8.290 nan 0.000 0.479 250 L N -0.515 120.910 121.223 0.337 0.000 3.678 250 L HA -0.228 4.112 4.340 0.000 0.000 0.425 250 L C 2.153 179.120 176.870 0.162 0.000 1.240 250 L CA 0.008 55.020 54.840 0.286 0.000 0.876 250 L CB -0.765 41.431 42.059 0.229 0.000 1.766 250 L HN 0.695 nan 8.230 nan 0.000 0.917 251 R N -0.353 120.110 120.500 -0.062 0.000 2.148 251 R HA -0.068 4.272 4.340 0.000 0.000 0.227 251 R C 2.040 178.289 176.300 -0.085 0.000 1.103 251 R CA 1.549 57.457 56.100 -0.320 0.000 0.983 251 R CB -0.085 29.577 30.300 -1.063 0.000 0.874 251 R HN 0.513 nan 8.270 nan 0.000 0.451 252 M N 0.243 119.890 119.600 0.079 0.000 2.349 252 M HA -0.026 4.455 4.480 0.000 0.000 0.266 252 M C 0.255 176.721 176.300 0.276 0.000 1.076 252 M CA 0.643 56.040 55.300 0.163 0.000 1.126 252 M CB 0.498 33.181 32.600 0.138 0.000 1.392 252 M HN -0.162 nan 8.290 nan 0.000 0.440 253 V N 2.220 122.303 119.914 0.281 0.000 2.572 253 V HA -0.023 4.097 4.120 0.000 0.000 0.291 253 V C 0.284 176.534 176.094 0.259 0.000 1.039 253 V CA -0.176 62.317 62.300 0.322 0.000 1.055 253 V CB 0.578 32.592 31.823 0.318 0.000 0.969 253 V HN 0.237 nan 8.190 nan 0.000 0.482 254 Q N 4.160 124.115 119.800 0.258 0.000 2.406 254 Q HA 0.319 4.660 4.340 0.000 0.000 0.242 254 Q C -0.563 175.551 176.000 0.190 0.000 1.036 254 Q CA -0.073 55.868 55.803 0.230 0.000 0.904 254 Q CB 0.560 29.493 28.738 0.326 0.000 1.244 254 Q HN 0.687 nan 8.270 nan 0.000 0.478 255 N N 0.447 119.256 118.700 0.183 0.000 2.438 255 N HA 0.518 5.258 4.740 0.000 0.000 0.282 255 N C -0.213 175.340 175.510 0.071 0.000 1.037 255 N CA -0.173 52.986 53.050 0.181 0.000 0.942 255 N CB 1.509 40.196 38.487 0.333 0.000 1.136 255 N HN 0.504 nan 8.380 nan 0.000 0.481 256 G N 0.547 109.376 108.800 0.049 0.000 2.388 256 G HA2 0.254 4.214 3.960 0.000 0.000 0.330 256 G HA3 0.254 4.214 3.960 0.000 0.000 0.330 256 G C -0.951 173.913 174.900 -0.060 0.000 1.142 256 G CA -0.531 44.566 45.100 -0.005 0.000 0.908 256 G HN 0.420 nan 8.290 nan 0.000 0.473 257 D N 1.106 121.454 120.400 -0.086 0.000 2.280 257 D HA 0.315 4.956 4.640 0.000 0.000 0.243 257 D C 0.149 176.420 176.300 -0.049 0.000 1.129 257 D CA 0.341 54.285 54.000 -0.094 0.000 0.848 257 D CB 1.830 42.564 40.800 -0.110 0.000 1.107 257 D HN 0.181 nan 8.370 nan 0.000 0.471 258 I N 2.821 123.367 120.570 -0.039 0.000 2.404 258 I HA 0.320 4.490 4.170 0.000 0.000 0.293 258 I C -0.125 175.975 176.117 -0.028 0.000 0.992 258 I CA -0.765 60.519 61.300 -0.028 0.000 1.149 258 I CB 1.668 39.654 38.000 -0.024 0.000 1.315 258 I HN 0.050 nan 8.210 nan 0.000 0.446 259 L N 6.900 128.108 121.223 -0.024 0.000 2.322 259 L HA 0.547 4.888 4.340 0.000 0.000 0.281 259 L C -1.043 175.813 176.870 -0.023 0.000 1.014 259 L CA -0.699 54.128 54.840 -0.023 0.000 0.815 259 L CB 1.696 43.744 42.059 -0.019 0.000 1.247 259 L HN 0.419 nan 8.230 nan 0.000 0.421 260 L N 4.136 125.343 121.223 -0.026 0.000 2.349 260 L HA 0.469 4.810 4.340 0.000 0.000 0.278 260 L C -0.546 176.310 176.870 -0.023 0.000 0.996 260 L CA -0.194 54.629 54.840 -0.029 0.000 0.825 260 L CB 1.682 43.713 42.059 -0.047 0.000 1.243 260 L HN 0.506 nan 8.230 nan 0.000 0.412 261 Q N 3.321 123.112 119.800 -0.014 0.000 2.363 261 Q HA 0.360 4.700 4.340 0.000 0.000 0.265 261 Q C -0.561 175.440 176.000 0.001 0.000 1.032 261 Q CA -0.735 55.063 55.803 -0.008 0.000 0.746 261 Q CB 1.342 30.076 28.738 -0.005 0.000 1.237 261 Q HN 0.497 nan 8.270 nan 0.000 0.475 262 N N 0.533 119.235 118.700 0.003 0.000 2.707 262 N HA -0.158 4.582 4.740 0.000 0.000 0.253 262 N C -0.885 174.652 175.510 0.046 0.000 0.998 262 N CA 0.505 53.569 53.050 0.022 0.000 0.751 262 N CB -0.907 37.592 38.487 0.021 0.000 0.920 262 N HN 0.297 nan 8.380 nan 0.000 0.539 263 V N 1.445 121.372 119.914 0.022 0.000 2.521 263 V HA 0.092 4.212 4.120 0.000 0.000 0.286 263 V C 0.663 176.801 176.094 0.073 0.000 1.034 263 V CA -0.282 62.038 62.300 0.034 0.000 1.045 263 V CB 0.215 32.026 31.823 -0.020 0.000 0.974 263 V HN 0.240 nan 8.190 nan 0.000 0.480 264 F N 6.581 126.517 119.950 -0.023 0.000 2.404 264 F HA 0.613 5.141 4.527 0.000 0.000 0.345 264 F C -0.158 175.650 175.800 0.015 0.000 1.110 264 F CA -0.383 57.614 58.000 -0.003 0.000 1.130 264 F CB 1.247 40.249 39.000 0.004 0.000 1.129 264 F HN 0.221 nan 8.300 nan 0.000 0.500 265 V N 8.276 127.692 119.914 -0.829 0.000 2.482 265 V HA 0.354 4.474 4.120 0.000 0.000 0.295 265 V C -2.150 173.418 176.094 -0.876 0.000 1.026 265 V CA -1.771 60.156 62.300 -0.621 0.000 0.856 265 V CB 1.614 33.297 31.823 -0.233 0.000 1.001 265 V HN 0.657 nan 8.190 nan 0.000 0.424 266 P HA 0.124 nan 4.420 nan 0.000 0.270 266 P C 0.375 177.684 177.300 0.014 0.000 1.223 266 P CA -0.007 62.911 63.100 -0.304 0.000 0.785 266 P CB 1.041 32.742 31.700 0.003 0.000 0.923 267 D N 1.766 122.240 120.400 0.124 0.000 2.204 267 D HA -0.249 4.391 4.640 0.000 0.000 0.189 267 D C 1.672 178.060 176.300 0.147 0.000 1.006 267 D CA 2.155 56.276 54.000 0.202 0.000 0.855 267 D CB -0.497 40.385 40.800 0.136 0.000 0.946 267 D HN 0.668 nan 8.370 nan 0.000 0.448 268 E N 0.366 120.623 120.200 0.095 0.000 2.333 268 E HA -0.186 4.164 4.350 0.000 0.000 0.200 268 E C 0.836 177.476 176.600 0.067 0.000 1.010 268 E CA 1.227 57.668 56.400 0.069 0.000 0.841 268 E CB -0.053 29.683 29.700 0.059 0.000 0.757 268 E HN 0.191 nan 8.360 nan 0.000 0.508 269 D N 0.445 120.885 120.400 0.066 0.000 2.369 269 D HA 0.051 4.691 4.640 0.000 0.000 0.211 269 D C 0.040 176.322 176.300 -0.030 0.000 1.077 269 D CA -0.043 53.983 54.000 0.044 0.000 0.842 269 D CB 0.105 40.923 40.800 0.031 0.000 0.947 269 D HN 0.100 nan 8.370 nan 0.000 0.509 270 R N 1.155 121.629 120.500 -0.043 0.000 2.389 270 R HA 0.233 4.573 4.340 0.000 0.000 0.295 270 R C -0.165 175.942 176.300 -0.322 0.000 1.075 270 R CA -0.389 55.524 56.100 -0.312 0.000 1.005 270 R CB 0.488 30.598 30.300 -0.316 0.000 0.987 270 R HN -0.047 nan 8.270 nan 0.000 0.452 271 L N 8.232 129.167 121.223 -0.479 0.000 2.433 271 L HA 0.165 4.505 4.340 0.000 0.000 0.275 271 L C -1.169 175.524 176.870 -0.294 0.000 1.128 271 L CA -1.352 53.284 54.840 -0.339 0.000 0.875 271 L CB 1.207 43.044 42.059 -0.370 0.000 1.171 271 L HN 0.592 nan 8.230 nan 0.000 0.463 272 P HA -0.062 nan 4.420 nan 0.000 0.229 272 P C 1.144 178.378 177.300 -0.110 0.000 1.160 272 P CA 0.690 63.714 63.100 -0.126 0.000 0.777 272 P CB 0.351 32.008 31.700 -0.072 0.000 0.814 273 G N -0.173 108.560 108.800 -0.112 0.000 2.985 273 G HA2 0.155 4.115 3.960 0.000 0.000 0.209 273 G HA3 0.155 4.115 3.960 0.000 0.000 0.209 273 G C 0.221 175.072 174.900 -0.081 0.000 1.165 273 G CA 0.060 45.112 45.100 -0.080 0.000 0.776 273 G HN 0.166 nan 8.290 nan 0.000 0.541 274 V N 0.929 120.766 119.914 -0.128 0.000 2.304 274 V HA 0.310 4.430 4.120 0.000 0.000 0.278 274 V C -0.042 175.976 176.094 -0.128 0.000 1.018 274 V CA -0.599 61.635 62.300 -0.109 0.000 0.814 274 V CB 0.811 32.549 31.823 -0.142 0.000 1.021 274 V HN 0.297 nan 8.190 nan 0.000 0.440 275 N N 2.059 120.720 118.700 -0.065 0.000 2.159 275 N HA 0.200 4.940 4.740 0.000 0.000 0.217 275 N C 0.119 175.627 175.510 -0.005 0.000 1.223 275 N CA 0.288 53.311 53.050 -0.045 0.000 0.896 275 N CB 1.031 39.501 38.487 -0.027 0.000 1.064 275 N HN 0.736 nan 8.380 nan 0.000 0.518 276 S N -1.654 114.053 115.700 0.012 0.000 2.627 276 S HA 0.138 4.608 4.470 0.000 0.000 0.268 276 S C -0.108 174.540 174.600 0.078 0.000 1.130 276 S CA -0.841 57.394 58.200 0.057 0.000 0.819 276 S CB 0.035 63.268 63.200 0.056 0.000 1.100 276 S HN -0.003 nan 8.310 nan 0.000 0.465 277 F N 1.664 121.594 119.950 -0.033 0.000 2.287 277 F HA -0.066 4.461 4.527 0.000 0.000 0.301 277 F C 2.408 178.174 175.800 -0.056 0.000 1.069 277 F CA 2.093 60.056 58.000 -0.062 0.000 1.372 277 F CB -0.305 38.646 39.000 -0.080 0.000 1.056 277 F HN 0.770 nan 8.300 nan 0.000 0.523 278 Q N -0.115 119.662 119.800 -0.039 0.000 2.181 278 Q HA -0.219 4.121 4.340 0.000 0.000 0.205 278 Q C 1.722 177.620 176.000 -0.169 0.000 0.980 278 Q CA 1.718 57.461 55.803 -0.099 0.000 0.862 278 Q CB -0.219 28.510 28.738 -0.016 0.000 0.905 278 Q HN 0.519 nan 8.270 nan 0.000 0.429 279 D N -0.549 119.767 120.400 -0.140 0.000 2.137 279 D HA -0.079 4.561 4.640 0.000 0.000 0.202 279 D C 1.812 178.019 176.300 -0.157 0.000 0.970 279 D CA 1.288 55.223 54.000 -0.108 0.000 0.837 279 D CB -0.182 40.591 40.800 -0.045 0.000 0.981 279 D HN 0.182 nan 8.370 nan 0.000 0.475 280 T N 0.755 115.138 114.554 -0.285 0.000 2.720 280 T HA -0.135 4.215 4.350 0.000 0.000 0.268 280 T C 2.215 176.608 174.700 -0.512 0.000 1.037 280 T CA 1.242 63.077 62.100 -0.443 0.000 1.144 280 T CB -0.279 68.093 68.868 -0.826 0.000 0.864 280 T HN -0.001 nan 8.240 nan 0.000 0.444 281 S N 0.672 115.929 115.700 -0.738 0.000 2.383 281 S HA -0.101 4.369 4.470 0.000 0.000 0.229 281 S C 2.082 176.541 174.600 -0.236 0.000 1.030 281 S CA 1.146 59.056 58.200 -0.484 0.000 1.002 281 S CB -0.170 62.795 63.200 -0.392 0.000 0.829 281 S HN 0.513 nan 8.310 nan 0.000 0.467 282 K N 0.326 120.617 120.400 -0.182 0.000 2.097 282 K HA 0.001 4.321 4.320 0.000 0.000 0.205 282 K C 1.988 178.532 176.600 -0.093 0.000 1.050 282 K CA 0.945 57.172 56.287 -0.100 0.000 0.938 282 K CB -0.206 32.255 32.500 -0.065 0.000 0.718 282 K HN 0.183 nan 8.250 nan 0.000 0.442 283 V N 1.880 121.734 119.914 -0.100 0.000 2.270 283 V HA -0.235 3.885 4.120 0.000 0.000 0.245 283 V C 2.220 178.196 176.094 -0.198 0.000 1.043 283 V CA 1.565 63.799 62.300 -0.110 0.000 1.014 283 V CB -0.389 31.431 31.823 -0.004 0.000 0.645 283 V HN 0.255 nan 8.190 nan 0.000 0.447 284 L N 0.097 121.202 121.223 -0.196 0.000 2.079 284 L HA -0.213 4.127 4.340 0.000 0.000 0.210 284 L C 2.713 179.479 176.870 -0.174 0.000 1.081 284 L CA 1.620 56.332 54.840 -0.215 0.000 0.752 284 L CB -0.796 41.175 42.059 -0.146 0.000 0.896 284 L HN 0.375 nan 8.230 nan 0.000 0.433 285 A N -0.309 122.429 122.820 -0.137 0.000 1.865 285 A HA -0.178 4.142 4.320 0.000 0.000 0.217 285 A C 2.298 179.792 177.584 -0.151 0.000 1.191 285 A CA 2.095 54.068 52.037 -0.106 0.000 0.623 285 A CB -0.930 18.031 19.000 -0.065 0.000 0.826 285 A HN 0.202 nan 8.150 nan 0.000 0.444 286 V N -0.620 119.178 119.914 -0.195 0.000 2.407 286 V HA -0.182 3.938 4.120 0.000 0.000 0.248 286 V C 2.717 178.617 176.094 -0.322 0.000 1.055 286 V CA 2.199 64.293 62.300 -0.344 0.000 1.049 286 V CB -0.738 30.887 31.823 -0.330 0.000 0.662 286 V HN 0.603 nan 8.190 nan 0.000 0.455 287 S N -0.584 114.950 115.700 -0.277 0.000 2.383 287 S HA -0.135 4.335 4.470 0.000 0.000 0.227 287 S C 2.148 176.629 174.600 -0.199 0.000 1.026 287 S CA 1.133 59.164 58.200 -0.281 0.000 0.981 287 S CB -0.216 62.754 63.200 -0.383 0.000 0.818 287 S HN 0.531 nan 8.310 nan 0.000 0.472 288 R N 0.351 120.755 120.500 -0.159 0.000 2.152 288 R HA -0.027 4.313 4.340 0.000 0.000 0.232 288 R C 2.069 178.342 176.300 -0.045 0.000 1.117 288 R CA 1.174 57.224 56.100 -0.084 0.000 0.981 288 R CB -0.438 29.824 30.300 -0.064 0.000 0.870 288 R HN 0.334 nan 8.270 nan 0.000 0.451 289 V N 0.789 120.653 119.914 -0.084 0.000 2.358 289 V HA -0.244 3.876 4.120 0.000 0.000 0.246 289 V C 2.184 178.328 176.094 0.082 0.000 1.047 289 V CA 1.552 63.835 62.300 -0.027 0.000 1.035 289 V CB -0.316 31.416 31.823 -0.152 0.000 0.658 289 V HN 0.206 nan 8.190 nan 0.000 0.452 290 M N -0.408 119.178 119.600 -0.023 0.000 2.200 290 M HA -0.037 4.443 4.480 0.000 0.000 0.265 290 M C 1.936 178.295 176.300 0.098 0.000 1.066 290 M CA 1.419 56.725 55.300 0.009 0.000 1.127 290 M CB -0.441 32.097 32.600 -0.104 0.000 1.379 290 M HN 0.150 nan 8.290 nan 0.000 0.420 291 V N -0.196 119.752 119.914 0.056 0.000 2.427 291 V HA -0.209 3.912 4.120 0.000 0.000 0.248 291 V C 2.463 178.636 176.094 0.131 0.000 1.051 291 V CA 1.560 63.925 62.300 0.109 0.000 1.048 291 V CB -1.474 30.412 31.823 0.106 0.000 0.666 291 V HN 0.544 nan 8.190 nan 0.000 0.456 292 A N -0.968 121.911 122.820 0.099 0.000 1.997 292 A HA -0.288 4.032 4.320 0.000 0.000 0.221 292 A C 1.857 179.418 177.584 -0.038 0.000 1.172 292 A CA 2.161 54.213 52.037 0.025 0.000 0.645 292 A CB -0.887 18.100 19.000 -0.020 0.000 0.813 292 A HN 0.710 nan 8.150 nan 0.000 0.454 293 W N -0.107 121.180 121.300 -0.021 0.000 2.800 293 W HA 0.052 4.713 4.660 0.000 0.000 0.249 293 W C 2.463 178.985 176.519 0.004 0.000 1.294 293 W CA 0.879 58.202 57.345 -0.036 0.000 1.402 293 W CB 0.003 29.419 29.460 -0.073 0.000 1.126 293 W HN 0.465 nan 8.180 nan 0.000 0.652 294 Q N 0.271 120.189 119.800 0.197 0.000 1.990 294 Q HA -0.165 4.176 4.340 0.000 0.000 0.200 294 Q C -0.371 175.689 176.000 0.100 0.000 0.980 294 Q CA 1.494 57.388 55.803 0.152 0.000 0.832 294 Q CB -1.635 27.194 28.738 0.151 0.000 0.897 294 Q HN 0.108 nan 8.270 nan 0.000 0.427 295 P HA -0.169 nan 4.420 nan 0.000 0.218 295 P C 1.009 178.320 177.300 0.018 0.000 1.148 295 P CA 1.229 64.344 63.100 0.024 0.000 0.822 295 P CB -0.078 31.624 31.700 0.004 0.000 0.784 296 I N -0.945 119.612 120.570 -0.022 0.000 2.179 296 I HA -0.185 3.986 4.170 0.000 0.000 0.242 296 I C 2.540 178.717 176.117 0.100 0.000 1.088 296 I CA 1.891 63.168 61.300 -0.039 0.000 1.357 296 I CB -1.328 36.489 38.000 -0.305 0.000 1.051 296 I HN 0.011 nan 8.210 nan 0.000 0.409 297 G N 1.184 110.076 108.800 0.154 0.000 2.421 297 G HA2 -0.184 3.776 3.960 0.000 0.000 0.216 297 G HA3 -0.184 3.776 3.960 0.000 0.000 0.216 297 G C 1.698 176.696 174.900 0.163 0.000 1.171 297 G CA 0.668 45.883 45.100 0.191 0.000 0.775 297 G HN 0.301 nan 8.290 nan 0.000 0.543 298 I N 1.115 121.761 120.570 0.127 0.000 2.142 298 I HA -0.196 3.974 4.170 0.000 0.000 0.240 298 I C 3.074 179.265 176.117 0.123 0.000 1.078 298 I CA 1.353 62.723 61.300 0.116 0.000 1.343 298 I CB -0.356 37.691 38.000 0.077 0.000 1.046 298 I HN 0.098 nan 8.210 nan 0.000 0.405 299 S N 0.770 116.531 115.700 0.101 0.000 2.365 299 S HA -0.219 4.251 4.470 0.000 0.000 0.225 299 S C 2.032 176.727 174.600 0.158 0.000 1.039 299 S CA 1.567 59.831 58.200 0.106 0.000 1.033 299 S CB -0.368 62.874 63.200 0.070 0.000 0.887 299 S HN 0.354 nan 8.310 nan 0.000 0.447 300 M N 0.983 120.689 119.600 0.177 0.000 2.106 300 M HA -0.119 4.361 4.480 0.000 0.000 0.259 300 M C 2.546 178.996 176.300 0.251 0.000 1.068 300 M CA 1.763 57.192 55.300 0.215 0.000 1.100 300 M CB -1.242 31.504 32.600 0.244 0.000 1.351 300 M HN 0.502 nan 8.290 nan 0.000 0.404 301 G N 0.634 109.585 108.800 0.252 0.000 2.404 301 G HA2 -0.137 3.823 3.960 0.000 0.000 0.215 301 G HA3 -0.137 3.823 3.960 0.000 0.000 0.215 301 G C 1.489 176.494 174.900 0.176 0.000 1.174 301 G CA 0.551 45.829 45.100 0.296 0.000 0.780 301 G HN 0.393 nan 8.290 nan 0.000 0.537 302 I N -0.666 119.992 120.570 0.147 0.000 2.163 302 I HA -0.228 3.942 4.170 0.000 0.000 0.243 302 I C 2.460 178.629 176.117 0.086 0.000 1.085 302 I CA 1.511 62.862 61.300 0.085 0.000 1.347 302 I CB -0.354 37.696 38.000 0.083 0.000 1.044 302 I HN 0.251 nan 8.210 nan 0.000 0.408 303 Y N 1.972 122.298 120.300 0.044 0.000 2.145 303 Y HA -0.326 4.224 4.550 0.000 0.000 0.286 303 Y C 2.325 178.262 175.900 0.063 0.000 1.145 303 Y CA 1.902 60.029 58.100 0.045 0.000 1.148 303 Y CB -0.250 38.233 38.460 0.039 0.000 0.981 303 Y HN 0.193 nan 8.280 nan 0.000 0.507 304 D N 0.125 120.681 120.400 0.260 0.000 2.116 304 D HA -0.266 4.374 4.640 0.000 0.000 0.193 304 D C 2.110 178.418 176.300 0.013 0.000 0.998 304 D CA 1.987 56.079 54.000 0.154 0.000 0.836 304 D CB -0.476 40.422 40.800 0.163 0.000 0.951 304 D HN 0.415 nan 8.370 nan 0.000 0.449 305 M N 0.447 120.011 119.600 -0.059 0.000 2.067 305 M HA -0.127 4.353 4.480 0.000 0.000 0.260 305 M C 2.312 178.592 176.300 -0.034 0.000 1.069 305 M CA 1.372 56.618 55.300 -0.090 0.000 1.117 305 M CB -0.653 31.866 32.600 -0.135 0.000 1.334 305 M HN 0.049 nan 8.290 nan 0.000 0.407 306 C N -0.321 118.921 119.300 -0.096 0.000 2.398 306 C HA -0.212 4.248 4.460 0.000 0.000 0.276 306 C C 2.712 177.615 174.990 -0.145 0.000 1.222 306 C CA 1.614 60.553 59.018 -0.131 0.000 1.746 306 C CB -1.623 25.997 27.740 -0.201 0.000 2.039 306 C HN 0.759 nan 8.230 nan 0.000 0.470 307 H N 0.727 119.568 119.070 -0.382 0.000 2.290 307 H HA -0.168 4.389 4.556 0.000 0.000 0.298 307 H C 2.564 177.821 175.328 -0.119 0.000 1.087 307 H CA 2.327 58.176 56.048 -0.333 0.000 1.291 307 H CB -0.279 29.265 29.762 -0.363 0.000 1.369 307 H HN 0.285 nan 8.280 nan 0.000 0.492 308 R N -0.758 119.772 120.500 0.050 0.000 2.073 308 R HA -0.209 4.131 4.340 0.000 0.000 0.234 308 R C 2.197 178.495 176.300 -0.004 0.000 1.134 308 R CA 1.876 57.996 56.100 0.034 0.000 0.952 308 R CB -0.824 29.521 30.300 0.074 0.000 0.850 308 R HN 0.490 nan 8.270 nan 0.000 0.433 309 Y N 1.414 121.670 120.300 -0.072 0.000 2.097 309 Y HA -0.230 4.320 4.550 0.000 0.000 0.282 309 Y C 2.227 178.083 175.900 -0.074 0.000 1.152 309 Y CA 2.031 60.099 58.100 -0.054 0.000 1.136 309 Y CB -0.397 38.016 38.460 -0.077 0.000 0.975 309 Y HN 0.045 nan 8.280 nan 0.000 0.498 310 L N 0.004 121.265 121.223 0.065 0.000 2.127 310 L HA -0.261 4.080 4.340 0.000 0.000 0.211 310 L C 2.349 179.153 176.870 -0.111 0.000 1.089 310 L CA 1.611 56.445 54.840 -0.010 0.000 0.757 310 L CB -0.483 41.551 42.059 -0.041 0.000 0.899 310 L HN 0.218 nan 8.230 nan 0.000 0.434 311 K N -0.403 119.891 120.400 -0.178 0.000 2.167 311 K HA -0.105 4.215 4.320 0.000 0.000 0.203 311 K C 1.909 178.422 176.600 -0.144 0.000 1.052 311 K CA 0.894 57.077 56.287 -0.174 0.000 0.956 311 K CB 0.118 32.491 32.500 -0.211 0.000 0.735 311 K HN 0.382 nan 8.250 nan 0.000 0.451 312 E N 0.276 120.373 120.200 -0.171 0.000 2.042 312 E HA -0.037 4.313 4.350 0.000 0.000 0.189 312 E C 0.791 177.254 176.600 -0.228 0.000 0.974 312 E CA 0.167 56.458 56.400 -0.182 0.000 0.806 312 E CB 0.257 29.849 29.700 -0.180 0.000 0.769 312 E HN -0.025 nan 8.360 nan 0.000 0.451 313 R N 2.245 122.540 120.500 -0.342 0.000 2.442 313 R HA 0.112 4.453 4.340 0.000 0.000 0.291 313 R C -0.788 175.432 176.300 -0.132 0.000 1.069 313 R CA 0.492 56.407 56.100 -0.308 0.000 1.022 313 R CB 0.411 30.422 30.300 -0.481 0.000 0.976 313 R HN -0.012 nan 8.270 nan 0.000 0.443 314 K N 2.878 123.221 120.400 -0.096 0.000 2.259 314 K HA 0.314 4.635 4.320 0.000 0.000 0.252 314 K C -0.727 175.890 176.600 0.029 0.000 0.936 314 K CA -0.723 55.557 56.287 -0.013 0.000 0.810 314 K CB 1.939 34.413 32.500 -0.044 0.000 1.143 314 K HN 0.354 nan 8.250 nan 0.000 0.427 315 Q N 1.102 120.995 119.800 0.155 0.000 2.377 315 Q HA 0.372 4.712 4.340 0.000 0.000 0.279 315 Q C -1.285 174.923 176.000 0.347 0.000 1.049 315 Q CA -0.541 55.333 55.803 0.118 0.000 0.825 315 Q CB 0.963 29.764 28.738 0.105 0.000 1.401 315 Q HN 0.561 nan 8.270 nan 0.000 0.404 316 F N 1.783 121.796 119.950 0.105 0.000 3.100 316 F HA -0.222 4.305 4.527 -0.000 0.000 0.283 316 F C 1.147 177.022 175.800 0.125 0.000 0.900 316 F CA 1.330 59.409 58.000 0.132 0.000 1.010 316 F CB -1.593 37.533 39.000 0.210 0.000 1.029 316 F HN 0.886 nan 8.300 nan 0.000 0.637 317 G N -0.814 108.081 108.800 0.158 0.000 2.198 317 G HA2 0.154 4.114 3.960 0.000 0.000 0.260 317 G HA3 0.154 4.114 3.960 0.000 0.000 0.260 317 G C 0.051 174.989 174.900 0.064 0.000 1.025 317 G CA 0.198 45.348 45.100 0.084 0.000 0.769 317 G HN 1.784 nan 8.290 nan 0.000 0.507 318 A N -1.047 121.830 122.820 0.094 0.000 2.594 318 A HA 0.893 5.213 4.320 0.000 0.000 0.295 318 A C -2.924 174.664 177.584 0.007 0.000 1.071 318 A CA -1.261 50.762 52.037 -0.023 0.000 0.685 318 A CB 1.580 20.465 19.000 -0.193 0.000 1.285 318 A HN 0.067 nan 8.150 nan 0.000 0.405 319 P HA 0.164 nan 4.420 nan 0.000 0.267 319 P C 0.824 178.143 177.300 0.032 0.000 1.200 319 P CA -0.066 63.011 63.100 -0.038 0.000 0.772 319 P CB 0.434 32.080 31.700 -0.090 0.000 0.855 320 L N 1.929 123.234 121.223 0.136 0.000 2.265 320 L HA -0.192 4.148 4.340 0.000 0.000 0.215 320 L C 2.083 179.078 176.870 0.208 0.000 1.117 320 L CA 1.423 56.449 54.840 0.311 0.000 0.782 320 L CB -0.660 41.521 42.059 0.203 0.000 0.914 320 L HN 0.438 nan 8.230 nan 0.000 0.441 321 A N -0.382 122.451 122.820 0.022 0.000 2.239 321 A HA 0.105 4.425 4.320 0.000 0.000 0.209 321 A C 2.309 179.842 177.584 -0.086 0.000 1.171 321 A CA 1.114 53.126 52.037 -0.042 0.000 0.768 321 A CB -0.355 18.574 19.000 -0.119 0.000 0.790 321 A HN 0.376 nan 8.150 nan 0.000 0.478 322 A N -0.858 121.844 122.820 -0.197 0.000 2.081 322 A HA 0.413 4.734 4.320 0.000 0.000 0.214 322 A C 0.442 177.795 177.584 -0.385 0.000 1.158 322 A CA -0.067 51.755 52.037 -0.358 0.000 0.724 322 A CB -0.250 18.426 19.000 -0.540 0.000 0.826 322 A HN 0.366 nan 8.150 nan 0.000 0.463 323 F N 0.166 120.098 119.950 -0.031 0.000 2.399 323 F HA 0.241 4.769 4.527 0.001 0.000 0.342 323 F C 1.618 177.396 175.800 -0.036 0.000 1.106 323 F CA -0.340 57.636 58.000 -0.040 0.000 1.196 323 F CB 0.753 39.727 39.000 -0.043 0.000 1.163 323 F HN 0.143 nan 8.300 nan 0.000 0.547 324 Q N 1.000 120.878 119.800 0.130 0.000 2.061 324 Q HA -0.188 4.152 4.340 0.000 0.000 0.204 324 Q C 2.000 178.035 176.000 0.058 0.000 0.984 324 Q CA 1.431 57.271 55.803 0.062 0.000 0.846 324 Q CB -0.152 28.609 28.738 0.040 0.000 0.902 324 Q HN 0.595 nan 8.270 nan 0.000 0.421 325 L N 0.953 122.214 121.223 0.062 0.000 2.083 325 L HA -0.191 4.150 4.340 0.000 0.000 0.209 325 L C 1.694 178.585 176.870 0.034 0.000 1.083 325 L CA 1.704 56.562 54.840 0.029 0.000 0.752 325 L CB -0.909 41.151 42.059 0.001 0.000 0.899 325 L HN 0.261 nan 8.230 nan 0.000 0.433 326 N N -1.382 117.360 118.700 0.069 0.000 2.188 326 N HA -0.180 4.561 4.740 0.000 0.000 0.184 326 N C 1.710 177.242 175.510 0.037 0.000 1.018 326 N CA 0.690 53.776 53.050 0.059 0.000 0.858 326 N CB -0.001 38.556 38.487 0.117 0.000 0.989 326 N HN 0.516 nan 8.380 nan 0.000 0.426 327 Q N 0.867 120.692 119.800 0.041 0.000 2.046 327 Q HA -0.178 4.162 4.340 0.000 0.000 0.200 327 Q C 2.083 178.100 176.000 0.027 0.000 0.975 327 Q CA 1.000 56.818 55.803 0.024 0.000 0.836 327 Q CB -0.126 28.622 28.738 0.016 0.000 0.896 327 Q HN 0.424 nan 8.270 nan 0.000 0.428 328 Q N 1.210 121.026 119.800 0.026 0.000 2.096 328 Q HA -0.220 4.120 4.340 0.000 0.000 0.204 328 Q C 1.777 177.792 176.000 0.024 0.000 0.982 328 Q CA 1.500 57.317 55.803 0.023 0.000 0.850 328 Q CB 0.107 28.856 28.738 0.018 0.000 0.901 328 Q HN 0.202 nan 8.270 nan 0.000 0.422 329 K N -0.073 120.338 120.400 0.019 0.000 2.097 329 K HA -0.143 4.177 4.320 0.000 0.000 0.205 329 K C 2.075 178.697 176.600 0.037 0.000 1.050 329 K CA 0.906 57.203 56.287 0.017 0.000 0.938 329 K CB -0.103 32.396 32.500 -0.001 0.000 0.718 329 K HN 0.130 nan 8.250 nan 0.000 0.442 330 L N 0.715 121.962 121.223 0.040 0.000 2.056 330 L HA -0.141 4.199 4.340 0.000 0.000 0.207 330 L C 2.050 179.029 176.870 0.182 0.000 1.078 330 L CA 1.362 56.249 54.840 0.079 0.000 0.749 330 L CB -0.270 41.798 42.059 0.016 0.000 0.901 330 L HN 0.083 nan 8.230 nan 0.000 0.433 331 V N -3.552 116.420 119.914 0.096 0.000 2.591 331 V HA -0.192 3.928 4.120 0.000 0.000 0.249 331 V C 2.205 178.322 176.094 0.037 0.000 1.053 331 V CA 1.372 63.705 62.300 0.055 0.000 1.068 331 V CB -0.902 30.932 31.823 0.019 0.000 0.689 331 V HN 0.561 nan 8.190 nan 0.000 0.462 332 Q N -0.123 119.703 119.800 0.044 0.000 2.050 332 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 332 Q C 2.329 178.350 176.000 0.034 0.000 0.980 332 Q CA 2.488 58.310 55.803 0.031 0.000 0.840 332 Q CB -0.305 28.447 28.738 0.023 0.000 0.898 332 Q HN 0.649 nan 8.270 nan 0.000 0.424 333 M N -0.149 119.495 119.600 0.073 0.000 2.086 333 M HA -0.198 4.282 4.480 0.000 0.000 0.261 333 M C 2.169 178.499 176.300 0.050 0.000 1.067 333 M CA 1.070 56.431 55.300 0.102 0.000 1.116 333 M CB -0.301 32.426 32.600 0.212 0.000 1.348 333 M HN 0.215 nan 8.290 nan 0.000 0.407 334 L N 0.495 121.723 121.223 0.008 0.000 2.046 334 L HA -0.063 4.277 4.340 0.000 0.000 0.208 334 L C 2.342 179.095 176.870 -0.195 0.000 1.077 334 L CA 2.124 56.794 54.840 -0.284 0.000 0.747 334 L CB -1.190 40.644 42.059 -0.375 0.000 0.896 334 L HN 0.260 nan 8.230 nan 0.000 0.432 335 G N -1.110 107.633 108.800 -0.096 0.000 2.404 335 G HA2 -0.290 3.670 3.960 0.000 0.000 0.215 335 G HA3 -0.290 3.670 3.960 0.000 0.000 0.215 335 G C 1.426 176.322 174.900 -0.008 0.000 1.174 335 G CA 0.863 45.925 45.100 -0.063 0.000 0.780 335 G HN 0.561 nan 8.290 nan 0.000 0.537 336 N N 0.027 118.735 118.700 0.013 0.000 2.061 336 N HA -0.157 4.583 4.740 0.000 0.000 0.193 336 N C 2.212 177.754 175.510 0.053 0.000 1.030 336 N CA 1.239 54.310 53.050 0.035 0.000 0.856 336 N CB -0.158 38.323 38.487 -0.010 0.000 1.023 336 N HN 0.173 nan 8.380 nan 0.000 0.424 337 V N 1.681 121.606 119.914 0.018 0.000 2.343 337 V HA -0.219 3.901 4.120 0.000 0.000 0.247 337 V C 2.321 178.490 176.094 0.124 0.000 1.051 337 V CA 1.510 63.841 62.300 0.053 0.000 1.036 337 V CB -0.454 31.372 31.823 0.005 0.000 0.654 337 V HN 0.338 nan 8.190 nan 0.000 0.451 338 Q N 0.113 119.958 119.800 0.074 0.000 2.084 338 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 338 Q C 2.403 178.518 176.000 0.193 0.000 0.978 338 Q CA 2.011 57.912 55.803 0.163 0.000 0.844 338 Q CB -0.940 27.619 28.738 -0.298 0.000 0.898 338 Q HN 0.633 nan 8.270 nan 0.000 0.426 339 A N 1.077 123.990 122.820 0.154 0.000 1.858 339 A HA -0.154 4.166 4.320 0.000 0.000 0.216 339 A C 2.290 180.008 177.584 0.224 0.000 1.190 339 A CA 1.635 53.797 52.037 0.209 0.000 0.617 339 A CB -0.627 18.556 19.000 0.304 0.000 0.827 339 A HN 0.297 nan 8.150 nan 0.000 0.443 340 M N -1.965 117.803 119.600 0.279 0.000 2.088 340 M HA -0.204 4.276 4.480 0.000 0.000 0.256 340 M C 2.190 178.451 176.300 -0.064 0.000 1.071 340 M CA 2.328 57.739 55.300 0.185 0.000 1.097 340 M CB -0.595 32.059 32.600 0.091 0.000 1.315 340 M HN 0.556 nan 8.290 nan 0.000 0.406 341 F N 1.053 120.850 119.950 -0.256 0.000 2.069 341 F HA -0.260 4.267 4.527 0.000 0.000 0.298 341 F C 2.009 177.617 175.800 -0.320 0.000 1.113 341 F CA 1.672 59.364 58.000 -0.514 0.000 1.214 341 F CB -0.158 38.322 39.000 -0.868 0.000 0.978 341 F HN -0.024 nan 8.300 nan 0.000 0.474 342 L N -0.733 120.606 121.223 0.193 0.000 2.083 342 L HA -0.256 4.084 4.340 0.000 0.000 0.209 342 L C 2.430 179.422 176.870 0.204 0.000 1.083 342 L CA 1.211 56.216 54.840 0.274 0.000 0.752 342 L CB -0.570 41.638 42.059 0.248 0.000 0.899 342 L HN 0.294 nan 8.230 nan 0.000 0.433 343 M N 0.141 119.763 119.600 0.037 0.000 2.067 343 M HA -0.103 4.378 4.480 0.000 0.000 0.260 343 M C 2.131 178.384 176.300 -0.078 0.000 1.069 343 M CA 2.134 57.404 55.300 -0.050 0.000 1.117 343 M CB -1.072 31.473 32.600 -0.092 0.000 1.334 343 M HN 0.151 nan 8.290 nan 0.000 0.407 344 G N -1.735 106.901 108.800 -0.273 0.000 2.432 344 G HA2 -0.291 3.669 3.960 0.000 0.000 0.219 344 G HA3 -0.291 3.669 3.960 0.000 0.000 0.219 344 G C 1.341 176.289 174.900 0.081 0.000 1.135 344 G CA 0.868 45.705 45.100 -0.439 0.000 0.767 344 G HN 0.689 nan 8.290 nan 0.000 0.550 345 W N 1.359 122.621 121.300 -0.064 0.000 2.381 345 W HA -0.004 4.656 4.660 0.000 0.000 0.301 345 W C 2.609 179.202 176.519 0.123 0.000 1.205 345 W CA 1.355 58.798 57.345 0.163 0.000 1.285 345 W CB -0.007 29.533 29.460 0.134 0.000 1.133 345 W HN 0.128 nan 8.180 nan 0.000 0.521 346 R N 0.606 121.123 120.500 0.030 0.000 2.081 346 R HA -0.156 4.184 4.340 0.000 0.000 0.235 346 R C 2.093 178.274 176.300 -0.200 0.000 1.131 346 R CA 1.865 57.839 56.100 -0.210 0.000 0.960 346 R CB -1.404 28.905 30.300 0.015 0.000 0.856 346 R HN 0.311 nan 8.270 nan 0.000 0.436 347 L N 0.131 121.312 121.223 -0.070 0.000 1.990 347 L HA -0.235 4.105 4.340 0.000 0.000 0.213 347 L C 2.195 179.053 176.870 -0.021 0.000 1.072 347 L CA 1.841 56.666 54.840 -0.026 0.000 0.755 347 L CB -1.176 40.894 42.059 0.019 0.000 0.889 347 L HN 0.325 nan 8.230 nan 0.000 0.432 348 C N -0.316 118.979 119.300 -0.007 0.000 2.391 348 C HA -0.199 4.261 4.460 0.000 0.000 0.276 348 C C 2.716 177.644 174.990 -0.103 0.000 1.217 348 C CA 0.890 59.881 59.018 -0.044 0.000 1.766 348 C CB -0.959 26.726 27.740 -0.091 0.000 2.046 348 C HN 0.467 nan 8.230 nan 0.000 0.475 349 K N 0.388 120.619 120.400 -0.283 0.000 2.155 349 K HA 0.082 4.402 4.320 0.000 0.000 0.203 349 K C 1.860 178.356 176.600 -0.174 0.000 1.052 349 K CA 0.873 56.973 56.287 -0.311 0.000 0.948 349 K CB -0.604 31.543 32.500 -0.589 0.000 0.728 349 K HN 0.527 nan 8.250 nan 0.000 0.448 350 L N -0.204 120.941 121.223 -0.130 0.000 2.046 350 L HA -0.216 4.124 4.340 0.000 0.000 0.208 350 L C 2.490 179.349 176.870 -0.019 0.000 1.077 350 L CA 1.312 56.112 54.840 -0.067 0.000 0.747 350 L CB -0.504 41.529 42.059 -0.043 0.000 0.896 350 L HN 0.082 nan 8.230 nan 0.000 0.432 351 Y N 1.120 121.359 120.300 -0.103 0.000 2.114 351 Y HA -0.294 4.257 4.550 0.000 0.000 0.284 351 Y C 2.514 178.363 175.900 -0.085 0.000 1.143 351 Y CA 1.828 59.877 58.100 -0.085 0.000 1.135 351 Y CB -0.234 38.177 38.460 -0.081 0.000 0.980 351 Y HN 0.167 nan 8.280 nan 0.000 0.499 352 E N -1.004 119.133 120.200 -0.106 0.000 2.130 352 E HA -0.214 4.136 4.350 0.000 0.000 0.196 352 E C 1.826 178.313 176.600 -0.188 0.000 0.998 352 E CA 1.994 58.292 56.400 -0.169 0.000 0.806 352 E CB -0.241 29.404 29.700 -0.092 0.000 0.738 352 E HN 0.627 nan 8.360 nan 0.000 0.459 353 T N -2.736 111.727 114.554 -0.151 0.000 3.148 353 T HA 0.196 4.546 4.350 0.000 0.000 0.253 353 T C 1.466 176.084 174.700 -0.137 0.000 1.134 353 T CA 0.368 62.394 62.100 -0.124 0.000 1.051 353 T CB 0.406 69.219 68.868 -0.093 0.000 0.959 353 T HN 0.305 nan 8.240 nan 0.000 0.525 354 G N 2.366 111.047 108.800 -0.199 0.000 2.148 354 G HA2 -0.318 3.642 3.960 0.000 0.000 0.254 354 G HA3 -0.318 3.642 3.960 0.000 0.000 0.254 354 G C 0.437 175.263 174.900 -0.123 0.000 0.981 354 G CA 0.348 45.327 45.100 -0.202 0.000 0.670 354 G HN 0.780 nan 8.290 nan 0.000 0.528 355 Q N -1.097 118.648 119.800 -0.091 0.000 2.175 355 Q HA 0.595 4.935 4.340 0.000 0.000 0.225 355 Q C 0.823 176.805 176.000 -0.030 0.000 0.837 355 Q CA -0.416 55.355 55.803 -0.054 0.000 1.032 355 Q CB 0.582 29.290 28.738 -0.050 0.000 1.137 355 Q HN 0.516 nan 8.270 nan 0.000 0.483 356 M N 3.041 122.634 119.600 -0.011 0.000 2.108 356 M HA 0.243 4.723 4.480 0.000 0.000 0.354 356 M C -0.424 175.891 176.300 0.025 0.000 1.229 356 M CA -0.224 55.092 55.300 0.026 0.000 1.081 356 M CB 1.263 33.921 32.600 0.098 0.000 1.606 356 M HN 0.333 nan 8.290 nan 0.000 0.467 357 T N 2.708 117.268 114.554 0.011 0.000 2.882 357 T HA 0.439 4.790 4.350 0.000 0.000 0.287 357 T C -1.893 172.813 174.700 0.010 0.000 1.014 357 T CA -1.515 60.590 62.100 0.009 0.000 1.049 357 T CB 0.717 69.586 68.868 0.002 0.000 1.001 357 T HN 0.521 nan 8.240 nan 0.000 0.525 358 P HA -0.030 nan 4.420 nan 0.000 0.218 358 P C 1.784 179.088 177.300 0.006 0.000 1.148 358 P CA 1.350 64.452 63.100 0.003 0.000 0.822 358 P CB -0.563 31.139 31.700 0.003 0.000 0.784 359 G N 0.269 109.075 108.800 0.011 0.000 2.442 359 G HA2 -0.273 3.687 3.960 0.000 0.000 0.219 359 G HA3 -0.273 3.687 3.960 0.000 0.000 0.219 359 G C 1.683 176.580 174.900 -0.005 0.000 1.141 359 G CA 0.585 45.689 45.100 0.007 0.000 0.763 359 G HN 0.306 nan 8.290 nan 0.000 0.554 360 Q N -0.018 119.778 119.800 -0.006 0.000 2.124 360 Q HA 0.032 4.372 4.340 0.000 0.000 0.202 360 Q C 3.001 178.995 176.000 -0.011 0.000 0.977 360 Q CA 1.235 57.030 55.803 -0.013 0.000 0.850 360 Q CB -0.216 28.515 28.738 -0.012 0.000 0.901 360 Q HN 0.495 nan 8.270 nan 0.000 0.429 361 A N 0.008 122.823 122.820 -0.009 0.000 1.898 361 A HA -0.146 4.174 4.320 0.000 0.000 0.216 361 A C 2.238 179.816 177.584 -0.010 0.000 1.181 361 A CA 1.498 53.526 52.037 -0.015 0.000 0.620 361 A CB -0.525 18.456 19.000 -0.031 0.000 0.819 361 A HN 0.224 nan 8.150 nan 0.000 0.442 362 S N -0.529 115.166 115.700 -0.009 0.000 2.359 362 S HA -0.167 4.303 4.470 0.000 0.000 0.224 362 S C 1.916 176.510 174.600 -0.009 0.000 1.035 362 S CA 1.614 59.809 58.200 -0.010 0.000 1.018 362 S CB -0.442 62.755 63.200 -0.003 0.000 0.876 362 S HN 0.536 nan 8.310 nan 0.000 0.448 363 L N 1.862 123.083 121.223 -0.004 0.000 2.046 363 L HA 0.032 4.372 4.340 0.000 0.000 0.208 363 L C 2.208 179.122 176.870 0.073 0.000 1.077 363 L CA 2.093 56.945 54.840 0.019 0.000 0.747 363 L CB -1.336 40.721 42.059 -0.004 0.000 0.896 363 L HN 0.288 nan 8.230 nan 0.000 0.432 364 G N -0.069 108.753 108.800 0.036 0.000 2.553 364 G HA2 -0.441 3.520 3.960 0.000 0.000 0.218 364 G HA3 -0.441 3.520 3.960 0.000 0.000 0.218 364 G C 1.619 176.573 174.900 0.091 0.000 1.195 364 G CA 1.235 46.363 45.100 0.047 0.000 0.779 364 G HN 0.576 nan 8.290 nan 0.000 0.577 365 K N 0.736 121.170 120.400 0.056 0.000 2.026 365 K HA 0.183 4.503 4.320 0.000 0.000 0.208 365 K C 2.672 179.330 176.600 0.097 0.000 1.048 365 K CA 1.723 58.047 56.287 0.060 0.000 0.929 365 K CB -0.515 32.006 32.500 0.034 0.000 0.713 365 K HN 0.218 nan 8.250 nan 0.000 0.439 366 A N 0.747 123.614 122.820 0.078 0.000 1.845 366 A HA -0.176 4.144 4.320 0.000 0.000 0.215 366 A C 2.111 179.884 177.584 0.315 0.000 1.195 366 A CA 1.547 53.642 52.037 0.096 0.000 0.616 366 A CB -1.391 17.495 19.000 -0.190 0.000 0.832 366 A HN 0.726 nan 8.150 nan 0.000 0.443 367 W N 0.467 121.833 121.300 0.110 0.000 2.335 367 W HA -0.179 4.481 4.660 0.001 0.000 0.311 367 W C 1.957 178.542 176.519 0.110 0.000 1.213 367 W CA 2.123 59.552 57.345 0.141 0.000 1.274 367 W CB -0.238 29.259 29.460 0.062 0.000 1.148 367 W HN 0.317 nan 8.180 nan 0.000 0.498 368 I N 0.418 121.187 120.570 0.332 0.000 2.179 368 I HA -0.355 3.816 4.170 0.000 0.000 0.242 368 I C 2.689 178.805 176.117 -0.002 0.000 1.088 368 I CA 1.845 63.246 61.300 0.168 0.000 1.357 368 I CB -0.909 37.162 38.000 0.119 0.000 1.051 368 I HN 0.048 nan 8.210 nan 0.000 0.409 369 S N -0.810 114.931 115.700 0.068 0.000 2.423 369 S HA -0.166 4.304 4.470 0.000 0.000 0.231 369 S C 2.085 176.736 174.600 0.084 0.000 1.014 369 S CA 1.369 59.626 58.200 0.095 0.000 0.965 369 S CB -0.387 62.916 63.200 0.172 0.000 0.785 369 S HN 0.388 nan 8.310 nan 0.000 0.495 370 S N 1.638 117.364 115.700 0.043 0.000 2.355 370 S HA -0.023 4.447 4.470 0.000 0.000 0.222 370 S C 1.920 176.344 174.600 -0.294 0.000 1.031 370 S CA 0.863 58.988 58.200 -0.125 0.000 0.993 370 S CB -0.330 62.769 63.200 -0.169 0.000 0.859 370 S HN 0.398 nan 8.310 nan 0.000 0.453 371 K N 1.459 121.601 120.400 -0.430 0.000 2.211 371 K HA 0.127 4.447 4.320 0.000 0.000 0.203 371 K C 2.151 178.609 176.600 -0.236 0.000 1.050 371 K CA 1.044 57.070 56.287 -0.435 0.000 0.945 371 K CB -0.817 31.256 32.500 -0.713 0.000 0.732 371 K HN 0.448 nan 8.250 nan 0.000 0.451 372 A N 1.435 124.151 122.820 -0.173 0.000 1.897 372 A HA -0.114 4.207 4.320 0.000 0.000 0.215 372 A C 2.231 179.740 177.584 -0.126 0.000 1.181 372 A CA 0.859 52.834 52.037 -0.103 0.000 0.620 372 A CB -0.278 18.686 19.000 -0.060 0.000 0.821 372 A HN 0.120 nan 8.150 nan 0.000 0.443 373 R N -0.398 119.983 120.500 -0.198 0.000 2.096 373 R HA -0.200 4.140 4.340 0.000 0.000 0.240 373 R C 2.187 178.370 176.300 -0.196 0.000 1.139 373 R CA 1.912 57.842 56.100 -0.283 0.000 0.952 373 R CB -0.455 29.554 30.300 -0.485 0.000 0.854 373 R HN 0.798 nan 8.270 nan 0.000 0.436 374 E N -0.602 119.487 120.200 -0.185 0.000 2.051 374 E HA -0.148 4.202 4.350 0.000 0.000 0.192 374 E C 1.657 178.218 176.600 -0.065 0.000 0.991 374 E CA 1.853 58.176 56.400 -0.128 0.000 0.799 374 E CB 0.087 29.695 29.700 -0.154 0.000 0.748 374 E HN 0.253 nan 8.360 nan 0.000 0.449 375 T N 0.422 114.940 114.554 -0.060 0.000 2.746 375 T HA -0.150 4.200 4.350 0.000 0.000 0.267 375 T C 1.808 176.523 174.700 0.025 0.000 1.039 375 T CA 1.245 63.340 62.100 -0.010 0.000 1.142 375 T CB -0.245 68.622 68.868 -0.001 0.000 0.866 375 T HN 0.301 nan 8.240 nan 0.000 0.444 376 A N 0.661 123.501 122.820 0.033 0.000 2.014 376 A HA 0.009 4.329 4.320 0.000 0.000 0.218 376 A C 2.562 180.280 177.584 0.224 0.000 1.163 376 A CA 1.609 53.720 52.037 0.123 0.000 0.652 376 A CB -0.778 18.287 19.000 0.108 0.000 0.808 376 A HN 0.402 nan 8.150 nan 0.000 0.449 377 S N -0.240 115.559 115.700 0.165 0.000 2.348 377 S HA -0.109 4.362 4.470 0.000 0.000 0.221 377 S C 1.902 176.509 174.600 0.012 0.000 1.033 377 S CA 1.553 59.843 58.200 0.150 0.000 1.010 377 S CB -0.446 62.799 63.200 0.075 0.000 0.891 377 S HN 0.526 nan 8.310 nan 0.000 0.442 378 L N 0.655 121.877 121.223 -0.001 0.000 2.046 378 L HA -0.035 4.305 4.340 0.000 0.000 0.208 378 L C 2.780 179.621 176.870 -0.048 0.000 1.077 378 L CA 1.301 56.125 54.840 -0.026 0.000 0.747 378 L CB -1.085 40.968 42.059 -0.009 0.000 0.896 378 L HN 0.432 nan 8.230 nan 0.000 0.432 379 G N -0.533 108.250 108.800 -0.029 0.000 2.422 379 G HA2 -0.247 3.714 3.960 0.000 0.000 0.218 379 G HA3 -0.247 3.714 3.960 0.000 0.000 0.218 379 G C 1.817 176.639 174.900 -0.129 0.000 1.146 379 G CA 0.281 45.345 45.100 -0.059 0.000 0.769 379 G HN 0.126 nan 8.290 nan 0.000 0.547 380 R N 1.334 121.748 120.500 -0.144 0.000 2.066 380 R HA -0.088 4.252 4.340 0.000 0.000 0.232 380 R C 2.656 178.788 176.300 -0.279 0.000 1.131 380 R CA 1.867 57.799 56.100 -0.279 0.000 0.955 380 R CB -0.492 29.496 30.300 -0.520 0.000 0.851 380 R HN 0.696 nan 8.270 nan 0.000 0.432 381 E N -0.018 120.052 120.200 -0.217 0.000 2.274 381 E HA -0.135 4.216 4.350 0.000 0.000 0.194 381 E C 2.107 178.611 176.600 -0.160 0.000 0.996 381 E CA 0.593 56.883 56.400 -0.182 0.000 0.840 381 E CB -0.380 29.239 29.700 -0.135 0.000 0.772 381 E HN 0.309 nan 8.360 nan 0.000 0.491 382 L N 0.684 121.815 121.223 -0.153 0.000 2.275 382 L HA -0.053 4.287 4.340 0.000 0.000 0.215 382 L C 2.086 178.847 176.870 -0.181 0.000 1.119 382 L CA 0.669 55.432 54.840 -0.128 0.000 0.790 382 L CB -0.040 41.956 42.059 -0.106 0.000 0.919 382 L HN 0.300 nan 8.230 nan 0.000 0.443 383 L N -1.035 119.991 121.223 -0.328 0.000 2.592 383 L HA 0.188 4.528 4.340 0.000 0.000 0.227 383 L C 1.509 178.140 176.870 -0.398 0.000 1.127 383 L CA 0.362 54.852 54.840 -0.583 0.000 0.884 383 L CB -0.929 40.591 42.059 -0.898 0.000 1.065 383 L HN 0.400 nan 8.230 nan 0.000 0.457 384 G N 1.137 109.790 108.800 -0.246 0.000 2.611 384 G HA2 -0.387 3.573 3.960 0.000 0.000 0.301 384 G HA3 -0.387 3.573 3.960 0.000 0.000 0.301 384 G C 0.955 175.711 174.900 -0.239 0.000 1.233 384 G CA 0.171 45.157 45.100 -0.190 0.000 0.993 384 G HN 0.336 nan 8.290 nan 0.000 0.553 385 G N 0.024 108.694 108.800 -0.215 0.000 2.446 385 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 385 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 385 G C 1.529 176.255 174.900 -0.291 0.000 1.168 385 G CA 1.577 46.547 45.100 -0.217 0.000 0.771 385 G HN 0.743 nan 8.290 nan 0.000 0.551 386 N N 1.355 119.785 118.700 -0.450 0.000 2.430 386 N HA -0.094 4.646 4.740 0.000 0.000 0.186 386 N C 2.196 177.431 175.510 -0.458 0.000 1.032 386 N CA 1.047 53.745 53.050 -0.587 0.000 0.893 386 N CB -0.507 37.254 38.487 -1.211 0.000 0.957 386 N HN 0.346 nan 8.380 nan 0.000 0.442 387 G N 1.158 109.694 108.800 -0.440 0.000 2.535 387 G HA2 -0.129 3.831 3.960 0.000 0.000 0.218 387 G HA3 -0.129 3.831 3.960 0.000 0.000 0.218 387 G C 1.396 176.139 174.900 -0.261 0.000 1.122 387 G CA 0.308 45.194 45.100 -0.357 0.000 0.769 387 G HN 0.527 nan 8.290 nan 0.000 0.549 388 I N -2.369 118.077 120.570 -0.206 0.000 3.883 388 I HA 0.435 4.605 4.170 0.000 0.000 0.326 388 I C -0.448 175.638 176.117 -0.052 0.000 1.283 388 I CA -0.528 60.693 61.300 -0.132 0.000 1.161 388 I CB 0.345 38.279 38.000 -0.111 0.000 1.012 388 I HN -0.251 nan 8.210 nan 0.000 0.421 389 L N 1.840 123.043 121.223 -0.034 0.000 2.275 389 L HA 0.550 4.891 4.340 0.000 0.000 0.288 389 L C 1.507 178.386 176.870 0.015 0.000 1.046 389 L CA -0.061 54.806 54.840 0.044 0.000 0.805 389 L CB 1.224 43.375 42.059 0.154 0.000 1.193 389 L HN 0.196 nan 8.230 nan 0.000 0.426 390 A N 2.542 125.349 122.820 -0.022 0.000 1.917 390 A HA -0.206 4.114 4.320 0.000 0.000 0.219 390 A C 1.685 179.197 177.584 -0.120 0.000 1.182 390 A CA 1.856 53.807 52.037 -0.143 0.000 0.633 390 A CB -0.492 18.474 19.000 -0.057 0.000 0.819 390 A HN 0.851 nan 8.150 nan 0.000 0.448 391 D N -0.959 119.385 120.400 -0.094 0.000 2.218 391 D HA -0.210 4.430 4.640 0.000 0.000 0.194 391 D C 0.673 176.738 176.300 -0.391 0.000 1.007 391 D CA 1.487 55.338 54.000 -0.248 0.000 0.879 391 D CB -0.287 40.303 40.800 -0.349 0.000 0.918 391 D HN 0.597 nan 8.370 nan 0.000 0.449 392 F N -0.334 119.551 119.950 -0.108 0.000 2.730 392 F HA 0.180 4.708 4.527 0.000 0.000 0.295 392 F C 1.404 177.109 175.800 -0.159 0.000 1.143 392 F CA -0.368 57.554 58.000 -0.129 0.000 1.367 392 F CB 0.326 39.217 39.000 -0.182 0.000 0.970 392 F HN -0.237 nan 8.300 nan 0.000 0.514 393 L N -1.442 119.754 121.223 -0.044 0.000 3.832 393 L HA -0.449 3.892 4.340 0.000 0.000 0.359 393 L C 1.563 178.384 176.870 -0.082 0.000 2.750 393 L CA 2.182 56.985 54.840 -0.063 0.000 2.342 393 L CB -1.380 40.656 42.059 -0.039 0.000 2.206 393 L HN 0.004 nan 8.230 nan 0.000 0.725 394 V N -0.027 119.847 119.914 -0.068 0.000 2.282 394 V HA -0.348 3.772 4.120 0.000 0.000 0.249 394 V C 2.740 178.802 176.094 -0.054 0.000 1.057 394 V CA 2.919 65.178 62.300 -0.068 0.000 1.032 394 V CB -1.491 30.258 31.823 -0.124 0.000 0.645 394 V HN 0.804 nan 8.190 nan 0.000 0.447 395 A N -0.243 122.516 122.820 -0.101 0.000 1.892 395 A HA -0.330 3.990 4.320 0.000 0.000 0.218 395 A C 2.343 179.865 177.584 -0.104 0.000 1.188 395 A CA 2.527 54.518 52.037 -0.078 0.000 0.631 395 A CB -0.590 18.355 19.000 -0.092 0.000 0.822 395 A HN 0.556 nan 8.150 nan 0.000 0.447 396 K N -0.538 119.645 120.400 -0.363 0.000 1.991 396 K HA -0.153 4.167 4.320 0.000 0.000 0.212 396 K C 2.244 178.688 176.600 -0.259 0.000 1.049 396 K CA 1.487 57.341 56.287 -0.720 0.000 0.932 396 K CB -0.414 31.569 32.500 -0.860 0.000 0.717 396 K HN 0.381 nan 8.250 nan 0.000 0.441 397 A N 0.795 123.544 122.820 -0.118 0.000 1.873 397 A HA -0.228 4.093 4.320 0.000 0.000 0.218 397 A C 2.084 179.702 177.584 0.056 0.000 1.193 397 A CA 1.847 53.883 52.037 -0.001 0.000 0.629 397 A CB -1.042 17.977 19.000 0.031 0.000 0.826 397 A HN 0.573 nan 8.150 nan 0.000 0.447 398 F N 0.302 120.213 119.950 -0.065 0.000 2.126 398 F HA -0.255 4.272 4.527 0.000 0.000 0.299 398 F C 2.375 178.167 175.800 -0.013 0.000 1.096 398 F CA 1.906 59.876 58.000 -0.049 0.000 1.255 398 F CB -0.471 38.492 39.000 -0.062 0.000 0.997 398 F HN 0.298 nan 8.300 nan 0.000 0.479 399 C N 0.423 119.811 119.300 0.148 0.000 2.457 399 C HA -0.099 4.361 4.460 0.000 0.000 0.278 399 C C 2.332 177.376 174.990 0.091 0.000 1.309 399 C CA 0.998 60.099 59.018 0.137 0.000 1.735 399 C CB -1.029 26.962 27.740 0.418 0.000 1.992 399 C HN 0.475 nan 8.230 nan 0.000 0.493 400 D N 0.684 121.153 120.400 0.116 0.000 2.224 400 D HA -0.046 4.594 4.640 0.000 0.000 0.205 400 D C 1.962 178.252 176.300 -0.016 0.000 0.965 400 D CA 0.598 54.665 54.000 0.112 0.000 0.852 400 D CB -0.317 40.568 40.800 0.140 0.000 0.947 400 D HN 0.198 nan 8.370 nan 0.000 0.494 401 L N 1.288 122.463 121.223 -0.080 0.000 2.131 401 L HA -0.118 4.222 4.340 0.000 0.000 0.210 401 L C 2.103 178.876 176.870 -0.162 0.000 1.092 401 L CA 1.488 56.250 54.840 -0.130 0.000 0.759 401 L CB -0.743 41.209 42.059 -0.178 0.000 0.903 401 L HN -0.016 nan 8.230 nan 0.000 0.435 402 E N -0.123 119.959 120.200 -0.197 0.000 2.031 402 E HA -0.161 4.189 4.350 0.000 0.000 0.193 402 E C -0.275 176.253 176.600 -0.120 0.000 0.994 402 E CA 1.624 57.917 56.400 -0.177 0.000 0.800 402 E CB -1.521 28.062 29.700 -0.194 0.000 0.752 402 E HN 0.415 nan 8.360 nan 0.000 0.447 403 P HA -0.061 nan 4.420 nan 0.000 0.221 403 P C 1.713 178.710 177.300 -0.504 0.000 1.150 403 P CA 0.962 63.901 63.100 -0.268 0.000 0.800 403 P CB -0.066 31.503 31.700 -0.219 0.000 0.787 404 I N -1.518 118.738 120.570 -0.522 0.000 2.315 404 I HA -0.236 3.934 4.170 0.000 0.000 0.248 404 I C 2.566 178.486 176.117 -0.328 0.000 1.117 404 I CA 1.228 62.094 61.300 -0.723 0.000 1.404 404 I CB -0.662 37.127 38.000 -0.352 0.000 1.071 404 I HN -0.139 nan 8.210 nan 0.000 0.419 405 Y N 0.868 121.003 120.300 -0.274 0.000 2.497 405 Y HA -0.187 4.364 4.550 0.000 0.000 0.292 405 Y C 2.274 178.112 175.900 -0.104 0.000 1.137 405 Y CA 1.502 59.513 58.100 -0.149 0.000 1.285 405 Y CB -0.108 38.258 38.460 -0.158 0.000 0.991 405 Y HN 0.046 nan 8.280 nan 0.000 0.556 406 T N -0.130 114.347 114.554 -0.129 0.000 3.021 406 T HA 0.010 4.360 4.350 0.000 0.000 0.245 406 T C -0.132 174.530 174.700 -0.064 0.000 1.028 406 T CA 0.534 62.556 62.100 -0.130 0.000 1.139 406 T CB -0.391 68.398 68.868 -0.132 0.000 0.884 406 T HN 0.288 nan 8.240 nan 0.000 0.457 407 Y N 1.677 121.911 120.300 -0.109 0.000 2.289 407 Y HA 0.560 5.111 4.550 0.001 0.000 0.332 407 Y C 0.651 176.514 175.900 -0.061 0.000 1.324 407 Y CA -2.208 55.837 58.100 -0.092 0.000 1.478 407 Y CB -0.363 38.045 38.460 -0.087 0.000 1.378 407 Y HN 0.175 nan 8.280 nan 0.000 0.558 408 E N -0.027 120.305 120.200 0.219 0.000 2.586 408 E HA -0.035 4.315 4.350 0.000 0.000 0.259 408 E C 0.043 176.676 176.600 0.055 0.000 1.107 408 E CA 1.686 58.122 56.400 0.060 0.000 0.754 408 E CB -1.524 28.206 29.700 0.050 0.000 1.335 408 E HN 1.632 nan 8.360 nan 0.000 0.411 409 G N -0.704 108.130 108.800 0.057 0.000 3.190 409 G HA2 -0.053 3.907 3.960 0.000 0.000 0.686 409 G HA3 -0.053 3.907 3.960 0.000 0.000 0.686 409 G C 0.163 175.054 174.900 -0.014 0.000 1.033 409 G CA 0.014 45.129 45.100 0.025 0.000 0.797 409 G HN 0.876 nan 8.290 nan 0.000 0.567 410 T N 0.850 115.383 114.554 -0.036 0.000 2.701 410 T HA 0.307 4.657 4.350 0.000 0.000 0.303 410 T C 1.402 176.014 174.700 -0.146 0.000 1.030 410 T CA 0.817 62.852 62.100 -0.108 0.000 1.010 410 T CB 0.818 69.650 68.868 -0.059 0.000 1.007 410 T HN 1.344 nan 8.240 nan 0.000 0.532 411 Y N 1.143 121.172 120.300 -0.450 0.000 2.128 411 Y HA -0.183 4.367 4.550 0.001 0.000 0.284 411 Y C 2.251 178.059 175.900 -0.153 0.000 1.154 411 Y CA 2.416 60.282 58.100 -0.389 0.000 1.149 411 Y CB -0.581 37.516 38.460 -0.606 0.000 0.976 411 Y HN 0.737 nan 8.280 nan 0.000 0.505 412 D N 0.139 120.522 120.400 -0.029 0.000 2.097 412 D HA -0.207 4.433 4.640 0.000 0.000 0.195 412 D C 2.238 178.503 176.300 -0.058 0.000 0.989 412 D CA 1.591 55.567 54.000 -0.040 0.000 0.827 412 D CB -0.129 40.702 40.800 0.051 0.000 0.966 412 D HN 0.353 nan 8.370 nan 0.000 0.456 413 I N 1.533 122.110 120.570 0.011 0.000 2.226 413 I HA -0.210 3.960 4.170 0.000 0.000 0.245 413 I C 1.842 178.021 176.117 0.104 0.000 1.100 413 I CA 1.105 62.486 61.300 0.135 0.000 1.374 413 I CB -1.025 37.050 38.000 0.125 0.000 1.057 413 I HN -0.026 nan 8.210 nan 0.000 0.413 414 N N 0.195 118.876 118.700 -0.032 0.000 2.142 414 N HA -0.166 4.574 4.740 0.000 0.000 0.186 414 N C 1.796 177.242 175.510 -0.107 0.000 1.023 414 N CA 2.065 55.081 53.050 -0.055 0.000 0.852 414 N CB -0.132 38.298 38.487 -0.094 0.000 0.998 414 N HN 0.459 nan 8.380 nan 0.000 0.424 415 T N -0.922 113.486 114.554 -0.244 0.000 2.915 415 T HA -0.031 4.319 4.350 0.000 0.000 0.269 415 T C 1.750 176.347 174.700 -0.171 0.000 1.071 415 T CA 0.762 62.716 62.100 -0.244 0.000 1.132 415 T CB -0.378 68.261 68.868 -0.383 0.000 0.878 415 T HN 0.110 nan 8.240 nan 0.000 0.479 416 L N 0.486 121.601 121.223 -0.179 0.000 2.179 416 L HA 0.054 4.394 4.340 0.000 0.000 0.208 416 L C 2.904 179.644 176.870 -0.217 0.000 1.096 416 L CA 0.380 55.008 54.840 -0.353 0.000 0.779 416 L CB -0.471 41.155 42.059 -0.722 0.000 0.922 416 L HN 0.150 nan 8.230 nan 0.000 0.443 417 V N -0.292 119.700 119.914 0.129 0.000 2.287 417 V HA -0.318 3.803 4.120 0.000 0.000 0.248 417 V C 2.548 178.684 176.094 0.070 0.000 1.053 417 V CA 2.493 64.933 62.300 0.233 0.000 1.027 417 V CB -0.805 31.130 31.823 0.187 0.000 0.646 417 V HN 0.478 nan 8.190 nan 0.000 0.447 418 T N 0.132 114.687 114.554 0.002 0.000 2.737 418 T HA -0.084 4.266 4.350 0.000 0.000 0.265 418 T C 1.940 176.619 174.700 -0.036 0.000 1.038 418 T CA 1.478 63.567 62.100 -0.018 0.000 1.144 418 T CB -0.747 68.100 68.868 -0.034 0.000 0.866 418 T HN 0.616 nan 8.240 nan 0.000 0.434 419 G N 1.542 110.297 108.800 -0.075 0.000 2.476 419 G HA2 -0.314 3.646 3.960 0.000 0.000 0.218 419 G HA3 -0.314 3.646 3.960 0.000 0.000 0.218 419 G C 1.553 176.407 174.900 -0.077 0.000 1.164 419 G CA 1.129 46.176 45.100 -0.090 0.000 0.768 419 G HN 0.459 nan 8.290 nan 0.000 0.560 420 R N 0.541 120.989 120.500 -0.086 0.000 2.083 420 R HA -0.102 4.238 4.340 0.000 0.000 0.237 420 R C 2.432 178.736 176.300 0.006 0.000 1.137 420 R CA 1.963 58.046 56.100 -0.029 0.000 0.951 420 R CB -0.413 29.919 30.300 0.052 0.000 0.851 420 R HN 0.535 nan 8.270 nan 0.000 0.434 421 E N -0.351 119.858 120.200 0.015 0.000 2.072 421 E HA -0.132 4.218 4.350 0.000 0.000 0.191 421 E C 1.815 178.416 176.600 0.001 0.000 0.985 421 E CA 1.168 57.577 56.400 0.016 0.000 0.801 421 E CB 0.151 29.862 29.700 0.019 0.000 0.750 421 E HN 0.246 nan 8.360 nan 0.000 0.452 422 V N 0.681 120.589 119.914 -0.009 0.000 2.719 422 V HA -0.145 3.975 4.120 0.000 0.000 0.252 422 V C 2.332 178.419 176.094 -0.013 0.000 1.065 422 V CA 2.045 64.337 62.300 -0.012 0.000 1.086 422 V CB 0.026 31.838 31.823 -0.018 0.000 0.700 422 V HN 0.581 nan 8.190 nan 0.000 0.467 423 T N -4.562 109.983 114.554 -0.016 0.000 3.000 423 T HA 0.311 4.661 4.350 0.000 0.000 0.248 423 T C 1.565 176.260 174.700 -0.009 0.000 1.034 423 T CA 1.010 63.100 62.100 -0.016 0.000 1.060 423 T CB 0.891 69.744 68.868 -0.026 0.000 0.983 423 T HN 0.854 nan 8.240 nan 0.000 0.482 424 G N 1.493 110.291 108.800 -0.004 0.000 2.175 424 G HA2 -0.158 3.802 3.960 0.000 0.000 0.244 424 G HA3 -0.158 3.802 3.960 0.000 0.000 0.244 424 G C -0.064 174.840 174.900 0.006 0.000 0.982 424 G CA 0.074 45.176 45.100 0.004 0.000 0.641 424 G HN 0.660 nan 8.290 nan 0.000 0.527 425 I N 1.321 121.889 120.570 -0.004 0.000 2.439 425 I HA 0.620 4.790 4.170 0.000 0.000 0.283 425 I C 0.754 176.860 176.117 -0.017 0.000 1.023 425 I CA -0.696 60.600 61.300 -0.006 0.000 1.100 425 I CB 1.771 39.761 38.000 -0.016 0.000 1.238 425 I HN 0.282 nan 8.210 nan 0.000 0.445 426 A N 3.865 126.697 122.820 0.021 0.000 2.540 426 A HA 0.246 4.567 4.320 0.000 0.000 0.239 426 A C 0.761 178.319 177.584 -0.043 0.000 1.061 426 A CA 0.399 52.462 52.037 0.043 0.000 0.758 426 A CB 0.335 19.426 19.000 0.152 0.000 0.991 426 A HN 0.700 nan 8.150 nan 0.000 0.502 427 S N 1.185 116.763 115.700 -0.204 0.000 2.977 427 S HA 0.375 4.845 4.470 0.000 0.000 0.250 427 S C 0.218 174.653 174.600 -0.274 0.000 1.005 427 S CA -0.369 57.704 58.200 -0.212 0.000 1.081 427 S CB -0.489 62.575 63.200 -0.227 0.000 1.018 427 S HN 0.590 nan 8.310 nan 0.000 0.539 428 F N 1.506 121.449 119.950 -0.012 0.000 2.220 428 F HA 0.383 4.910 4.527 0.000 0.000 0.290 428 F C 1.355 177.147 175.800 -0.014 0.000 1.080 428 F CA 0.244 58.235 58.000 -0.015 0.000 1.318 428 F CB 0.042 39.030 39.000 -0.019 0.000 1.063 428 F HN -0.011 nan 8.300 nan 0.000 0.498 429 K N 1.581 122.088 120.400 0.179 0.000 2.258 429 K HA 0.148 4.468 4.320 0.000 0.000 0.264 429 K C -2.078 174.555 176.600 0.053 0.000 1.007 429 K CA -1.582 54.762 56.287 0.095 0.000 0.941 429 K CB -0.103 32.439 32.500 0.070 0.000 0.966 429 K HN -0.086 nan 8.250 nan 0.000 0.480 430 P HA 0.145 nan 4.420 nan 0.000 0.276 430 P C -0.933 176.378 177.300 0.018 0.000 1.244 430 P CA -0.567 62.548 63.100 0.025 0.000 0.801 430 P CB 0.928 32.642 31.700 0.023 0.000 1.006 431 A N 0.836 123.664 122.820 0.013 0.000 2.504 431 A HA 0.514 4.835 4.320 0.000 0.000 0.242 431 A C 0.719 178.309 177.584 0.010 0.000 1.100 431 A CA 1.463 53.506 52.037 0.010 0.000 0.786 431 A CB -1.198 17.806 19.000 0.007 0.000 1.050 431 A HN 1.076 nan 8.150 nan 0.000 0.512 432 T N 0.000 114.559 114.554 0.008 0.000 3.816 432 T HA 0.000 4.350 4.350 0.000 0.000 0.228 432 T CA 0.000 nan 62.100 nan 0.000 1.349 432 T CB 0.000 nan 68.868 nan 0.000 0.612 432 T HN 0.000 nan 8.240 nan 0.000 0.658