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 1jdc_1_A DATA FIRST_RESID 1 DATA SEQUENCE DQAGKSPNAV RYHGGDEIIL QGFHWNVVRE APNDWYNILR QQAATIAADG DATA SEQUENCE FSAIWMPVPW RDFSSWSDGS KSGGGEGYFW HDFNKNGRYG SDAQLRQAAS DATA SEQUENCE ALGGAGVKVL YDVVPNHMNR GYPDKEINLP AGQGFWRNDc ADPGNYPNDc DATA SEQUENCE DDGDRFIGGD ADLNTGHPQV YGMFRDEFTN LRSQYGAGGF RFDFVRGYAP DATA SEQUENCE ERVNSWMTDS ADNSFcVGQL WKGPSEYPNW DWRNTASWQQ IIKDWSDRAK DATA SEQUENCE cPVFDFALKE RMQNGSIADW KHGLNGNPDP RWREVAVTFV DNHDTGYSPG DATA SEQUENCE QNGGQHHWAL QDGLIRQAYA YILTSPGTPV VYWDHMYDWG YGDFIRQLIQ DATA SEQUENCE VRRAAGVRAD SAISFHSGYS GLVATVSGSQ QTLVVALNSD LGNPGQVASG DATA SEQUENCE SFSEAVNASN GQVRVWRS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.286 176.300 -0.023 0.000 2.045 1 D CA 0.000 53.989 54.000 -0.018 0.000 0.868 1 D CB 0.000 40.800 40.800 -0.001 0.000 0.688 2 Q N 0.395 120.161 119.800 -0.056 0.000 2.335 2 Q HA 0.831 5.171 4.340 0.000 0.000 0.180 2 Q C 0.314 176.198 176.000 -0.194 0.000 1.101 2 Q CA -0.524 55.229 55.803 -0.083 0.000 1.165 2 Q CB 0.477 29.174 28.738 -0.069 0.000 1.220 2 Q HN 0.292 nan 8.270 nan 0.000 0.626 3 A N -1.564 121.106 122.820 -0.249 0.000 2.507 3 A HA 0.939 5.259 4.320 0.000 0.000 0.284 3 A C -0.421 177.056 177.584 -0.179 0.000 1.281 3 A CA -0.321 51.419 52.037 -0.494 0.000 0.744 3 A CB 1.135 19.766 19.000 -0.615 0.000 1.332 3 A HN 1.321 nan 8.150 nan 0.000 0.454 4 G N -0.629 108.109 108.800 -0.103 0.000 2.576 4 G HA2 0.214 4.174 3.960 0.000 0.000 0.686 4 G HA3 0.214 4.174 3.960 0.000 0.000 0.686 4 G C -0.950 174.060 174.900 0.184 0.000 1.242 4 G CA -0.383 44.747 45.100 0.051 0.000 0.819 4 G HN 0.755 nan 8.290 nan 0.000 0.655 5 K N 0.189 120.671 120.400 0.136 0.000 2.102 5 K HA 0.656 4.976 4.320 0.000 0.000 0.244 5 K C 1.289 177.879 176.600 -0.017 0.000 1.021 5 K CA 0.011 56.344 56.287 0.076 0.000 0.913 5 K CB 0.970 33.471 32.500 0.000 0.000 1.062 5 K HN 0.929 nan 8.250 nan 0.000 0.485 6 S N 0.197 115.638 115.700 -0.432 0.000 2.624 6 S HA 0.125 4.595 4.470 0.000 0.000 0.263 6 S C -1.892 172.589 174.600 -0.197 0.000 1.287 6 S CA -1.086 56.773 58.200 -0.570 0.000 0.990 6 S CB 0.656 63.278 63.200 -0.963 0.000 0.950 6 S HN 0.305 nan 8.310 nan 0.000 0.561 7 P HA -0.053 nan 4.420 nan 0.000 0.220 7 P C 0.327 177.586 177.300 -0.069 0.000 1.144 7 P CA 1.284 64.355 63.100 -0.048 0.000 0.800 7 P CB -0.266 31.429 31.700 -0.009 0.000 0.772 8 N N -1.311 117.320 118.700 -0.115 0.000 2.251 8 N HA 0.303 5.044 4.740 0.000 0.000 0.217 8 N C 0.224 175.661 175.510 -0.122 0.000 1.124 8 N CA 0.324 53.310 53.050 -0.107 0.000 0.843 8 N CB 0.090 38.508 38.487 -0.115 0.000 1.024 8 N HN -0.116 nan 8.380 nan 0.000 0.501 9 A N -0.212 122.535 122.820 -0.122 0.000 2.860 9 A HA -0.167 4.153 4.320 0.000 0.000 0.267 9 A C 0.192 177.696 177.584 -0.134 0.000 1.421 9 A CA 0.395 52.370 52.037 -0.103 0.000 0.831 9 A CB -2.215 16.743 19.000 -0.069 0.000 1.041 9 A HN 0.131 nan 8.150 nan 0.000 0.623 10 V N 0.923 120.711 119.914 -0.211 0.000 2.530 10 V HA 0.194 4.314 4.120 0.000 0.000 0.282 10 V C 1.430 177.406 176.094 -0.197 0.000 1.048 10 V CA -0.158 62.009 62.300 -0.221 0.000 0.997 10 V CB 1.174 32.844 31.823 -0.255 0.000 0.987 10 V HN 0.472 nan 8.190 nan 0.000 0.477 11 R N 4.776 125.219 120.500 -0.095 0.000 4.559 11 R HA 0.036 4.376 4.340 0.000 0.000 0.177 11 R C 0.206 176.543 176.300 0.062 0.000 1.875 11 R CA -0.056 56.049 56.100 0.009 0.000 1.509 11 R CB -0.298 29.995 30.300 -0.011 0.000 1.395 11 R HN 0.888 nan 8.270 nan 0.000 0.830 12 Y N -1.275 119.041 120.300 0.026 0.000 2.461 12 Y HA 0.081 4.631 4.550 0.000 0.000 0.277 12 Y C 0.428 176.598 175.900 0.451 0.000 1.182 12 Y CA -1.329 56.873 58.100 0.170 0.000 1.276 12 Y CB -1.032 37.520 38.460 0.154 0.000 1.087 12 Y HN 0.384 nan 8.280 nan 0.000 0.519 13 H N 1.267 120.656 119.070 0.531 0.000 2.496 13 H HA -0.176 4.380 4.556 0.000 0.000 0.323 13 H C 1.427 176.806 175.328 0.086 0.000 1.054 13 H CA 1.083 57.321 56.048 0.316 0.000 1.095 13 H CB -1.009 28.985 29.762 0.387 0.000 1.595 13 H HN 0.877 nan 8.280 nan 0.000 0.388 14 G N -0.132 108.568 108.800 -0.168 0.000 2.225 14 G HA2 -0.251 3.709 3.960 0.000 0.000 0.254 14 G HA3 -0.251 3.709 3.960 0.000 0.000 0.254 14 G C 1.510 176.079 174.900 -0.552 0.000 0.988 14 G CA 0.993 45.917 45.100 -0.293 0.000 0.625 14 G HN 1.782 nan 8.290 nan 0.000 0.527 15 G N 0.255 108.523 108.800 -0.887 0.000 2.168 15 G HA2 -0.115 3.846 3.960 0.000 0.000 0.263 15 G HA3 -0.115 3.846 3.960 0.000 0.000 0.263 15 G C 0.445 175.181 174.900 -0.273 0.000 0.977 15 G CA 1.359 45.980 45.100 -0.798 0.000 0.659 15 G HN 1.973 nan 8.290 nan 0.000 0.533 16 D N -0.329 119.966 120.400 -0.176 0.000 2.623 16 D HA 0.283 4.923 4.640 0.000 0.000 0.252 16 D C 0.331 176.597 176.300 -0.056 0.000 1.294 16 D CA -0.420 53.527 54.000 -0.089 0.000 0.824 16 D CB 0.256 41.010 40.800 -0.077 0.000 1.070 16 D HN 0.282 nan 8.370 nan 0.000 0.487 17 E N 0.612 120.776 120.200 -0.059 0.000 2.373 17 E HA 0.398 4.748 4.350 0.000 0.000 0.263 17 E C 0.247 176.825 176.600 -0.037 0.000 1.073 17 E CA -0.312 56.037 56.400 -0.084 0.000 0.894 17 E CB 1.828 31.379 29.700 -0.249 0.000 1.008 17 E HN 0.307 nan 8.360 nan 0.000 0.420 18 I N 3.108 123.677 120.570 -0.002 0.000 2.503 18 I HA 0.325 4.495 4.170 0.000 0.000 0.282 18 I C -0.257 175.992 176.117 0.220 0.000 1.059 18 I CA -0.383 60.970 61.300 0.088 0.000 1.081 18 I CB 0.942 38.955 38.000 0.022 0.000 1.210 18 I HN 0.175 nan 8.210 nan 0.000 0.450 19 I N 5.935 126.654 120.570 0.248 0.000 2.437 19 I HA 0.395 4.565 4.170 0.000 0.000 0.298 19 I C -0.607 175.687 176.117 0.295 0.000 0.984 19 I CA -0.930 60.522 61.300 0.254 0.000 1.214 19 I CB 1.997 40.102 38.000 0.174 0.000 1.365 19 I HN 0.347 nan 8.210 nan 0.000 0.469 20 L N 5.757 127.005 121.223 0.042 0.000 2.296 20 L HA 0.326 4.666 4.340 0.000 0.000 0.286 20 L C -0.124 176.784 176.870 0.064 0.000 1.023 20 L CA -0.084 54.590 54.840 -0.277 0.000 0.812 20 L CB 1.443 42.952 42.059 -0.917 0.000 1.223 20 L HN 0.640 nan 8.230 nan 0.000 0.421 21 Q N 3.552 123.420 119.800 0.113 0.000 2.344 21 Q HA 0.308 4.648 4.340 0.000 0.000 0.253 21 Q C 0.772 176.735 176.000 -0.063 0.000 1.050 21 Q CA 0.169 55.924 55.803 -0.081 0.000 0.912 21 Q CB 0.882 29.426 28.738 -0.324 0.000 1.258 21 Q HN 0.978 nan 8.270 nan 0.000 0.443 22 G N 4.610 113.427 108.800 0.028 0.000 3.186 22 G HA2 0.172 4.132 3.960 0.000 0.000 0.214 22 G HA3 0.172 4.132 3.960 0.000 0.000 0.214 22 G C -0.424 174.576 174.900 0.167 0.000 1.222 22 G CA 0.143 45.374 45.100 0.218 0.000 0.921 22 G HN 0.657 nan 8.290 nan 0.000 0.504 23 F N -2.073 117.710 119.950 -0.279 0.000 2.858 23 F HA 0.598 5.125 4.527 0.000 0.000 0.319 23 F C -0.828 174.736 175.800 -0.393 0.000 1.166 23 F CA -1.925 55.716 58.000 -0.598 0.000 0.899 23 F CB 0.764 39.370 39.000 -0.657 0.000 1.332 23 F HN 0.172 nan 8.300 nan 0.000 0.461 24 H N -0.851 118.019 119.070 -0.333 0.000 2.908 24 H HA 0.196 4.752 4.556 0.000 0.000 0.350 24 H C -0.387 175.063 175.328 0.204 0.000 1.217 24 H CA -0.851 55.140 56.048 -0.095 0.000 1.168 24 H CB 1.581 31.261 29.762 -0.137 0.000 1.891 24 H HN 0.978 nan 8.280 nan 0.000 0.566 25 W N 2.024 123.569 121.300 0.409 0.000 2.374 25 W HA -0.084 4.576 4.660 0.000 0.000 0.288 25 W C -0.088 176.578 176.519 0.245 0.000 1.218 25 W CA 1.489 59.051 57.345 0.361 0.000 1.245 25 W CB 0.062 29.731 29.460 0.348 0.000 1.126 25 W HN 0.687 nan 8.180 nan 0.000 0.545 26 N N -0.023 118.866 118.700 0.316 0.000 2.314 26 N HA -0.043 4.697 4.740 0.000 0.000 0.200 26 N C 1.395 176.810 175.510 -0.158 0.000 1.135 26 N CA -0.337 52.759 53.050 0.076 0.000 0.835 26 N CB 0.427 39.079 38.487 0.274 0.000 0.989 26 N HN -0.169 nan 8.380 nan 0.000 0.478 27 V N 0.823 120.385 119.914 -0.587 0.000 2.332 27 V HA -0.243 3.877 4.120 0.000 0.000 0.248 27 V C 2.388 178.142 176.094 -0.568 0.000 1.055 27 V CA 1.837 63.631 62.300 -0.845 0.000 1.038 27 V CB -0.484 30.521 31.823 -1.363 0.000 0.651 27 V HN 0.377 nan 8.190 nan 0.000 0.450 28 V N -1.196 118.355 119.914 -0.606 0.000 2.720 28 V HA -0.213 3.907 4.120 0.000 0.000 0.256 28 V C 2.220 178.114 176.094 -0.334 0.000 1.082 28 V CA 2.043 64.000 62.300 -0.571 0.000 1.101 28 V CB -0.882 30.547 31.823 -0.656 0.000 0.693 28 V HN 0.469 nan 8.190 nan 0.000 0.479 29 R N -0.545 119.802 120.500 -0.255 0.000 2.206 29 R HA 0.176 4.516 4.340 0.000 0.000 0.198 29 R C 2.257 178.506 176.300 -0.085 0.000 0.986 29 R CA 0.659 56.672 56.100 -0.146 0.000 1.029 29 R CB -0.010 30.229 30.300 -0.103 0.000 0.966 29 R HN 0.482 nan 8.270 nan 0.000 0.487 30 E N 0.124 120.281 120.200 -0.072 0.000 2.190 30 E HA 0.093 4.443 4.350 0.000 0.000 0.191 30 E C 0.241 176.839 176.600 -0.003 0.000 0.978 30 E CA 0.571 56.970 56.400 -0.001 0.000 0.839 30 E CB 0.806 30.556 29.700 0.083 0.000 0.787 30 E HN 0.169 nan 8.360 nan 0.000 0.473 31 A N 2.283 125.073 122.820 -0.050 0.000 3.365 31 A HA 0.291 4.611 4.320 0.000 0.000 0.258 31 A C -2.578 174.979 177.584 -0.045 0.000 0.964 31 A CA -1.129 50.919 52.037 0.019 0.000 0.988 31 A CB 0.166 19.274 19.000 0.179 0.000 1.193 31 A HN -0.133 nan 8.150 nan 0.000 0.508 32 P HA 0.027 nan 4.420 nan 0.000 0.264 32 P C -0.028 177.212 177.300 -0.100 0.000 1.193 32 P CA 0.674 63.690 63.100 -0.140 0.000 0.763 32 P CB 0.375 31.998 31.700 -0.128 0.000 0.810 33 N N 0.879 119.501 118.700 -0.130 0.000 2.778 33 N HA -0.219 4.521 4.740 0.000 0.000 0.249 33 N C 0.252 175.735 175.510 -0.045 0.000 1.069 33 N CA 1.404 54.403 53.050 -0.085 0.000 0.831 33 N CB -1.631 36.825 38.487 -0.051 0.000 1.142 33 N HN 0.541 nan 8.380 nan 0.000 0.573 34 D N -1.399 118.987 120.400 -0.023 0.000 2.520 34 D HA 0.127 4.767 4.640 0.000 0.000 0.223 34 D C 1.234 177.573 176.300 0.064 0.000 1.186 34 D CA -0.316 53.696 54.000 0.021 0.000 0.821 34 D CB 0.009 40.825 40.800 0.027 0.000 1.072 34 D HN 0.355 nan 8.370 nan 0.000 0.518 35 W N 0.308 121.496 121.300 -0.186 0.000 2.338 35 W HA -0.281 4.379 4.660 0.000 0.000 0.304 35 W C 0.802 177.275 176.519 -0.076 0.000 1.212 35 W CA 0.976 58.213 57.345 -0.180 0.000 1.264 35 W CB -0.070 29.287 29.460 -0.173 0.000 1.142 35 W HN 0.056 nan 8.180 nan 0.000 0.512 36 Y N 0.849 121.157 120.300 0.013 0.000 2.274 36 Y HA -0.235 4.315 4.550 0.000 0.000 0.290 36 Y C 2.345 178.152 175.900 -0.155 0.000 1.145 36 Y CA 1.136 59.178 58.100 -0.096 0.000 1.203 36 Y CB -1.535 36.927 38.460 0.003 0.000 0.984 36 Y HN 0.026 nan 8.280 nan 0.000 0.533 37 N N 0.190 118.909 118.700 0.031 0.000 2.166 37 N HA -0.132 4.608 4.740 0.000 0.000 0.186 37 N C 1.946 177.380 175.510 -0.126 0.000 1.019 37 N CA 1.328 54.359 53.050 -0.031 0.000 0.856 37 N CB -0.421 38.058 38.487 -0.012 0.000 0.993 37 N HN 0.355 nan 8.380 nan 0.000 0.426 38 I N 0.796 121.220 120.570 -0.244 0.000 2.286 38 I HA -0.169 4.001 4.170 0.000 0.000 0.245 38 I C 2.117 177.990 176.117 -0.408 0.000 1.104 38 I CA 0.622 61.710 61.300 -0.353 0.000 1.397 38 I CB -0.158 37.519 38.000 -0.539 0.000 1.072 38 I HN 0.029 nan 8.210 nan 0.000 0.417 39 L N 0.314 121.209 121.223 -0.546 0.000 2.083 39 L HA -0.225 4.115 4.340 0.000 0.000 0.209 39 L C 2.784 179.539 176.870 -0.192 0.000 1.083 39 L CA 1.314 55.919 54.840 -0.391 0.000 0.752 39 L CB -0.524 41.293 42.059 -0.404 0.000 0.899 39 L HN 0.235 nan 8.230 nan 0.000 0.433 40 R N -0.386 120.026 120.500 -0.148 0.000 2.073 40 R HA -0.186 4.154 4.340 0.000 0.000 0.234 40 R C 2.406 178.656 176.300 -0.084 0.000 1.134 40 R CA 1.370 57.416 56.100 -0.089 0.000 0.952 40 R CB -0.015 30.250 30.300 -0.057 0.000 0.850 40 R HN 0.308 nan 8.270 nan 0.000 0.433 41 Q N 0.045 119.787 119.800 -0.096 0.000 2.170 41 Q HA -0.134 4.207 4.340 0.000 0.000 0.203 41 Q C 1.693 177.641 176.000 -0.087 0.000 0.976 41 Q CA 1.208 56.963 55.803 -0.081 0.000 0.858 41 Q CB 0.049 28.740 28.738 -0.078 0.000 0.907 41 Q HN 0.440 nan 8.270 nan 0.000 0.433 42 Q N -0.667 119.065 119.800 -0.114 0.000 2.403 42 Q HA 0.214 4.554 4.340 0.000 0.000 0.203 42 Q C 1.640 177.592 176.000 -0.080 0.000 0.932 42 Q CA 0.510 56.240 55.803 -0.122 0.000 0.945 42 Q CB 0.060 28.693 28.738 -0.176 0.000 1.045 42 Q HN 0.281 nan 8.270 nan 0.000 0.511 43 A N 1.398 124.182 122.820 -0.059 0.000 1.883 43 A HA -0.170 4.150 4.320 0.000 0.000 0.217 43 A C 2.306 179.886 177.584 -0.007 0.000 1.186 43 A CA 1.965 53.984 52.037 -0.029 0.000 0.624 43 A CB -0.578 18.401 19.000 -0.035 0.000 0.822 43 A HN 0.380 nan 8.150 nan 0.000 0.444 44 A N -1.720 121.091 122.820 -0.015 0.000 1.902 44 A HA -0.132 4.188 4.320 0.000 0.000 0.217 44 A C 2.395 179.985 177.584 0.011 0.000 1.181 44 A CA 2.470 54.505 52.037 -0.004 0.000 0.623 44 A CB -1.305 17.688 19.000 -0.012 0.000 0.818 44 A HN 0.472 nan 8.150 nan 0.000 0.443 45 T N -0.561 113.993 114.554 -0.000 0.000 2.821 45 T HA -0.061 4.289 4.350 0.000 0.000 0.267 45 T C 1.756 176.515 174.700 0.099 0.000 1.046 45 T CA 1.438 63.553 62.100 0.024 0.000 1.139 45 T CB -0.478 68.376 68.868 -0.023 0.000 0.871 45 T HN 0.383 nan 8.240 nan 0.000 0.454 46 I N 1.118 121.754 120.570 0.109 0.000 2.163 46 I HA -0.166 4.004 4.170 0.000 0.000 0.243 46 I C 2.855 179.145 176.117 0.288 0.000 1.085 46 I CA 1.293 62.754 61.300 0.267 0.000 1.347 46 I CB -0.446 37.656 38.000 0.169 0.000 1.044 46 I HN 0.258 nan 8.210 nan 0.000 0.408 47 A N 0.580 123.488 122.820 0.146 0.000 1.877 47 A HA -0.156 4.164 4.320 0.000 0.000 0.216 47 A C 2.513 180.130 177.584 0.055 0.000 1.186 47 A CA 1.855 53.949 52.037 0.095 0.000 0.620 47 A CB -0.888 18.141 19.000 0.048 0.000 0.822 47 A HN 0.432 nan 8.150 nan 0.000 0.443 48 A N -0.248 122.599 122.820 0.046 0.000 1.969 48 A HA -0.128 4.192 4.320 0.000 0.000 0.218 48 A C 1.595 179.172 177.584 -0.011 0.000 1.169 48 A CA 1.704 53.748 52.037 0.012 0.000 0.635 48 A CB -0.487 18.521 19.000 0.013 0.000 0.810 48 A HN 0.434 nan 8.150 nan 0.000 0.445 49 D N -1.176 119.235 120.400 0.019 0.000 2.350 49 D HA 0.152 4.792 4.640 0.000 0.000 0.216 49 D C 1.441 177.566 176.300 -0.292 0.000 0.968 49 D CA 1.371 55.336 54.000 -0.058 0.000 0.894 49 D CB -0.010 40.852 40.800 0.103 0.000 0.909 49 D HN 0.640 nan 8.370 nan 0.000 0.520 50 G N -0.406 108.250 108.800 -0.240 0.000 2.184 50 G HA2 -0.228 3.732 3.960 0.000 0.000 0.206 50 G HA3 -0.228 3.732 3.960 0.000 0.000 0.206 50 G C 0.075 174.756 174.900 -0.365 0.000 0.995 50 G CA -0.541 44.369 45.100 -0.317 0.000 0.651 50 G HN 0.177 nan 8.290 nan 0.000 0.511 51 F N 1.686 121.636 119.950 0.001 0.000 2.418 51 F HA 0.496 5.023 4.527 0.000 0.000 0.341 51 F C 1.688 177.481 175.800 -0.010 0.000 1.120 51 F CA 0.322 58.326 58.000 0.006 0.000 1.232 51 F CB 1.668 40.692 39.000 0.039 0.000 1.175 51 F HN 0.141 nan 8.300 nan 0.000 0.569 52 S N 0.317 116.101 115.700 0.140 0.000 2.523 52 S HA 0.686 5.156 4.470 0.000 0.000 0.217 52 S C 0.209 174.817 174.600 0.012 0.000 0.996 52 S CA 0.193 58.420 58.200 0.046 0.000 0.921 52 S CB 0.083 63.283 63.200 0.001 0.000 0.829 52 S HN 0.749 nan 8.310 nan 0.000 0.495 53 A N 0.709 123.554 122.820 0.041 0.000 2.587 53 A HA 0.812 5.132 4.320 0.000 0.000 0.293 53 A C -1.577 176.026 177.584 0.032 0.000 1.087 53 A CA -0.752 51.267 52.037 -0.031 0.000 0.692 53 A CB 1.291 20.191 19.000 -0.168 0.000 1.291 53 A HN 0.559 nan 8.150 nan 0.000 0.407 54 I N 0.637 121.209 120.570 0.002 0.000 2.534 54 I HA 0.522 4.692 4.170 0.000 0.000 0.288 54 I C -1.639 174.544 176.117 0.110 0.000 1.077 54 I CA -0.554 60.778 61.300 0.052 0.000 1.051 54 I CB 1.244 39.256 38.000 0.021 0.000 1.234 54 I HN 0.849 nan 8.210 nan 0.000 0.425 55 W N 10.005 131.315 121.300 0.018 0.000 2.416 55 W HA 0.410 5.070 4.660 0.000 0.000 0.318 55 W C -1.318 175.283 176.519 0.137 0.000 1.150 55 W CA -1.248 56.144 57.345 0.078 0.000 1.392 55 W CB 0.546 30.121 29.460 0.191 0.000 1.311 55 W HN 0.306 nan 8.180 nan 0.000 0.436 56 M N 8.907 128.661 119.600 0.256 0.000 2.291 56 M HA 0.304 4.784 4.480 0.000 0.000 0.324 56 M C -1.645 174.624 176.300 -0.052 0.000 1.148 56 M CA -2.301 53.022 55.300 0.039 0.000 1.104 56 M CB 0.445 32.943 32.600 -0.171 0.000 1.483 56 M HN 0.251 nan 8.290 nan 0.000 0.467 57 P HA 0.127 nan 4.420 nan 0.000 0.274 57 P C -0.490 176.408 177.300 -0.670 0.000 1.260 57 P CA -0.452 61.896 63.100 -1.253 0.000 0.793 57 P CB 0.278 30.741 31.700 -2.061 0.000 1.048 58 V N 2.964 122.448 119.914 -0.716 0.000 2.509 58 V HA -0.026 4.094 4.120 0.000 0.000 0.297 58 V C -0.678 175.113 176.094 -0.505 0.000 1.014 58 V CA -0.169 61.763 62.300 -0.612 0.000 1.127 58 V CB -0.166 31.279 31.823 -0.630 0.000 0.925 58 V HN 0.640 nan 8.190 nan 0.000 0.480 59 P HA -0.032 nan 4.420 nan 0.000 0.227 59 P C 0.085 177.260 177.300 -0.209 0.000 1.161 59 P CA 0.372 63.250 63.100 -0.369 0.000 0.788 59 P CB 0.278 31.619 31.700 -0.599 0.000 0.822 60 W N 3.261 124.390 121.300 -0.285 0.000 2.303 60 W HA 0.178 4.838 4.660 0.000 0.000 0.318 60 W C 0.688 177.087 176.519 -0.201 0.000 1.362 60 W CA -0.829 56.359 57.345 -0.263 0.000 1.234 60 W CB -0.605 28.618 29.460 -0.395 0.000 1.248 60 W HN 0.003 nan 8.180 nan 0.000 0.546 61 R N 1.627 122.074 120.500 -0.089 0.000 2.640 61 R HA 0.192 4.532 4.340 0.000 0.000 0.270 61 R C -0.322 175.701 176.300 -0.462 0.000 1.024 61 R CA -0.094 55.795 56.100 -0.351 0.000 1.085 61 R CB 0.169 30.097 30.300 -0.619 0.000 0.963 61 R HN 0.225 nan 8.270 nan 0.000 0.426 62 D N 2.079 122.284 120.400 -0.325 0.000 2.575 62 D HA 0.225 4.865 4.640 0.000 0.000 0.250 62 D C -1.112 175.221 176.300 0.055 0.000 1.279 62 D CA -0.805 53.145 54.000 -0.083 0.000 0.925 62 D CB 0.574 41.435 40.800 0.102 0.000 1.261 62 D HN 0.410 nan 8.370 nan 0.000 0.567 63 F N 1.395 121.373 119.950 0.047 0.000 2.708 63 F HA 0.205 4.732 4.527 0.000 0.000 0.300 63 F C 1.230 177.048 175.800 0.030 0.000 1.118 63 F CA -0.812 57.168 58.000 -0.034 0.000 1.307 63 F CB -0.681 38.252 39.000 -0.111 0.000 0.986 63 F HN 0.170 nan 8.300 nan 0.000 0.522 64 S N -0.629 115.231 115.700 0.268 0.000 2.589 64 S HA 0.542 5.012 4.470 0.000 0.000 0.265 64 S C 0.239 175.004 174.600 0.275 0.000 1.342 64 S CA -0.339 58.068 58.200 0.346 0.000 1.005 64 S CB 1.890 65.411 63.200 0.535 0.000 0.909 64 S HN 0.145 nan 8.310 nan 0.000 0.555 65 S N 1.180 117.053 115.700 0.289 0.000 2.535 65 S HA 0.690 5.160 4.470 0.000 0.000 0.272 65 S C -1.882 172.868 174.600 0.250 0.000 1.149 65 S CA -0.810 57.482 58.200 0.154 0.000 0.888 65 S CB 0.880 64.143 63.200 0.105 0.000 1.110 65 S HN 1.034 nan 8.310 nan 0.000 0.463 66 W N 1.526 122.880 121.300 0.091 0.000 3.146 66 W HA 0.730 5.390 4.660 0.000 0.000 0.319 66 W C -1.665 174.893 176.519 0.065 0.000 1.258 66 W CA -0.728 56.657 57.345 0.067 0.000 1.189 66 W CB 0.842 30.335 29.460 0.055 0.000 1.412 66 W HN 0.825 nan 8.180 nan 0.000 0.567 67 S N 1.461 117.393 115.700 0.387 0.000 2.668 67 S HA 0.399 4.869 4.470 0.000 0.000 0.277 67 S C -2.182 172.646 174.600 0.379 0.000 1.170 67 S CA -0.262 58.086 58.200 0.246 0.000 0.994 67 S CB 1.660 64.910 63.200 0.084 0.000 1.051 67 S HN 0.496 nan 8.310 nan 0.000 0.484 68 D N 3.267 123.927 120.400 0.434 0.000 2.479 68 D HA 0.596 5.236 4.640 0.000 0.000 0.246 68 D C 0.905 177.335 176.300 0.216 0.000 1.336 68 D CA 1.086 55.259 54.000 0.289 0.000 0.967 68 D CB 0.933 41.871 40.800 0.231 0.000 1.275 68 D HN 1.048 nan 8.370 nan 0.000 0.577 69 G N 3.291 112.170 108.800 0.131 0.000 2.557 69 G HA2 -0.296 3.664 3.960 0.000 0.000 0.292 69 G HA3 -0.296 3.664 3.960 0.000 0.000 0.292 69 G C 0.790 175.749 174.900 0.099 0.000 1.162 69 G CA 0.625 45.784 45.100 0.098 0.000 0.964 69 G HN 1.261 nan 8.290 nan 0.000 0.541 70 S N 0.256 116.018 115.700 0.103 0.000 2.568 70 S HA 0.543 5.013 4.470 0.000 0.000 0.232 70 S C 0.475 175.132 174.600 0.095 0.000 0.975 70 S CA 0.690 58.942 58.200 0.086 0.000 0.949 70 S CB 0.533 63.780 63.200 0.078 0.000 0.829 70 S HN 0.712 nan 8.310 nan 0.000 0.479 71 K N 1.692 122.174 120.400 0.137 0.000 2.221 71 K HA 0.710 5.030 4.320 0.000 0.000 0.243 71 K C -0.517 176.078 176.600 -0.009 0.000 0.968 71 K CA -0.474 55.893 56.287 0.133 0.000 0.846 71 K CB 1.847 34.522 32.500 0.291 0.000 1.141 71 K HN 0.313 nan 8.250 nan 0.000 0.434 72 S N -0.399 115.134 115.700 -0.278 0.000 2.579 72 S HA 0.897 5.367 4.470 0.000 0.000 0.272 72 S C -0.555 173.441 174.600 -1.007 0.000 1.141 72 S CA -0.614 57.166 58.200 -0.700 0.000 0.843 72 S CB 2.185 65.178 63.200 -0.344 0.000 1.122 72 S HN 0.824 nan 8.310 nan 0.000 0.468 73 G N -0.923 107.005 108.800 -1.452 0.000 2.488 73 G HA2 0.859 4.819 3.960 0.000 0.000 0.301 73 G HA3 0.859 4.819 3.960 0.000 0.000 0.301 73 G C -0.223 174.322 174.900 -0.592 0.000 1.339 73 G CA 0.001 44.617 45.100 -0.806 0.000 0.803 73 G HN 2.251 nan 8.290 nan 0.000 0.482 74 G N -2.724 106.040 108.800 -0.059 0.000 2.334 74 G HA2 0.571 4.531 3.960 0.000 0.000 0.566 74 G HA3 0.571 4.531 3.960 0.000 0.000 0.566 74 G C 0.901 175.810 174.900 0.014 0.000 1.413 74 G CA 1.143 46.316 45.100 0.120 0.000 0.993 74 G HN 2.669 nan 8.290 nan 0.000 0.642 75 G N -0.684 108.173 108.800 0.096 0.000 2.162 75 G HA2 -0.165 3.795 3.960 0.000 0.000 0.260 75 G HA3 -0.165 3.795 3.960 0.000 0.000 0.260 75 G C 0.787 175.621 174.900 -0.110 0.000 0.976 75 G CA 1.407 46.521 45.100 0.024 0.000 0.655 75 G HN 1.325 nan 8.290 nan 0.000 0.533 76 E N -0.631 119.509 120.200 -0.100 0.000 2.427 76 E HA 0.393 4.743 4.350 0.000 0.000 0.196 76 E C 2.158 178.724 176.600 -0.057 0.000 1.028 76 E CA 1.568 57.856 56.400 -0.186 0.000 0.864 76 E CB -0.098 29.336 29.700 -0.443 0.000 0.813 76 E HN 1.508 nan 8.360 nan 0.000 0.514 77 G N -0.575 108.225 108.800 0.001 0.000 2.352 77 G HA2 -0.289 3.671 3.960 0.000 0.000 0.204 77 G HA3 -0.289 3.671 3.960 0.000 0.000 0.204 77 G C 0.729 175.599 174.900 -0.049 0.000 1.004 77 G CA -0.075 44.954 45.100 -0.119 0.000 0.648 77 G HN 0.253 nan 8.290 nan 0.000 0.491 78 Y N -0.522 120.011 120.300 0.389 0.000 2.583 78 Y HA 0.523 5.073 4.550 0.000 0.000 0.293 78 Y C 1.283 177.537 175.900 0.589 0.000 1.157 78 Y CA 0.418 58.810 58.100 0.487 0.000 1.315 78 Y CB 0.163 38.906 38.460 0.471 0.000 1.021 78 Y HN 0.214 nan 8.280 nan 0.000 0.536 79 F N 1.260 121.424 119.950 0.357 0.000 2.688 79 F HA 0.237 4.764 4.527 0.000 0.000 0.376 79 F C 0.059 175.924 175.800 0.109 0.000 1.428 79 F CA -2.122 55.995 58.000 0.195 0.000 1.156 79 F CB -0.150 38.966 39.000 0.192 0.000 1.141 79 F HN 0.043 nan 8.300 nan 0.000 0.521 80 W N 1.200 122.524 121.300 0.040 0.000 2.148 80 W HA 0.128 4.788 4.660 0.000 0.000 0.347 80 W C 0.102 176.499 176.519 -0.202 0.000 1.288 80 W CA 0.295 57.590 57.345 -0.084 0.000 1.252 80 W CB -0.199 29.314 29.460 0.089 0.000 1.156 80 W HN 0.619 nan 8.180 nan 0.000 0.580 81 H N -1.132 117.837 119.070 -0.168 0.000 3.046 81 H HA 0.269 4.825 4.556 0.000 0.000 0.262 81 H C -0.678 174.550 175.328 -0.166 0.000 1.044 81 H CA 0.388 56.235 56.048 -0.335 0.000 1.209 81 H CB 0.344 29.863 29.762 -0.405 0.000 1.507 81 H HN 0.361 nan 8.280 nan 0.000 0.507 82 D N -1.427 118.893 120.400 -0.133 0.000 2.738 82 D HA 0.017 4.657 4.640 0.000 0.000 0.308 82 D C -0.555 175.533 176.300 -0.353 0.000 1.311 82 D CA -0.889 52.942 54.000 -0.282 0.000 0.799 82 D CB -0.139 40.491 40.800 -0.284 0.000 1.332 82 D HN -0.064 nan 8.370 nan 0.000 0.441 83 F N -0.273 119.407 119.950 -0.450 0.000 2.780 83 F HA 0.232 4.759 4.527 0.000 0.000 0.299 83 F C 1.293 176.922 175.800 -0.284 0.000 1.146 83 F CA -0.504 57.127 58.000 -0.616 0.000 1.428 83 F CB -0.952 37.604 39.000 -0.740 0.000 1.115 83 F HN 0.310 nan 8.300 nan 0.000 0.583 84 N N 1.847 120.497 118.700 -0.084 0.000 2.357 84 N HA -0.110 4.630 4.740 0.000 0.000 0.257 84 N C 0.882 176.366 175.510 -0.043 0.000 1.250 84 N CA 0.310 53.326 53.050 -0.057 0.000 0.862 84 N CB 0.769 39.215 38.487 -0.070 0.000 1.066 84 N HN -0.086 nan 8.380 nan 0.000 0.468 85 K N 1.656 122.045 120.400 -0.018 0.000 2.487 85 K HA 0.147 4.467 4.320 0.000 0.000 0.192 85 K C -0.275 176.372 176.600 0.078 0.000 1.027 85 K CA 0.194 56.479 56.287 -0.005 0.000 1.054 85 K CB -0.133 32.328 32.500 -0.065 0.000 0.824 85 K HN 0.456 nan 8.250 nan 0.000 0.510 86 N N 1.519 120.262 118.700 0.072 0.000 2.868 86 N HA 0.120 4.860 4.740 0.000 0.000 0.252 86 N C 0.177 175.782 175.510 0.158 0.000 1.130 86 N CA 0.135 53.263 53.050 0.131 0.000 1.026 86 N CB 1.102 39.671 38.487 0.137 0.000 1.335 86 N HN 0.163 nan 8.380 nan 0.000 0.516 87 G N 0.463 109.350 108.800 0.145 0.000 3.122 87 G HA2 0.175 4.136 3.960 0.000 0.000 0.180 87 G HA3 0.175 4.136 3.960 0.000 0.000 0.180 87 G C 0.907 175.903 174.900 0.160 0.000 1.279 87 G CA -0.219 44.980 45.100 0.166 0.000 0.987 87 G HN 0.202 nan 8.290 nan 0.000 0.589 88 R N -0.931 119.591 120.500 0.038 0.000 2.235 88 R HA 0.056 4.396 4.340 0.000 0.000 0.213 88 R C 1.710 177.757 176.300 -0.422 0.000 1.059 88 R CA 0.639 56.619 56.100 -0.200 0.000 0.997 88 R CB -0.486 29.616 30.300 -0.330 0.000 0.884 88 R HN 0.571 nan 8.270 nan 0.000 0.462 89 Y N -0.504 119.616 120.300 -0.300 0.000 2.510 89 Y HA 0.284 4.835 4.550 0.000 0.000 0.273 89 Y C 1.448 176.916 175.900 -0.720 0.000 1.119 89 Y CA 0.638 58.391 58.100 -0.579 0.000 1.286 89 Y CB 0.597 38.543 38.460 -0.857 0.000 1.061 89 Y HN 0.157 nan 8.280 nan 0.000 0.542 90 G N -0.699 107.943 108.800 -0.262 0.000 2.368 90 G HA2 0.227 4.187 3.960 0.000 0.000 0.302 90 G HA3 0.227 4.187 3.960 0.000 0.000 0.302 90 G C -1.045 173.974 174.900 0.199 0.000 1.329 90 G CA -0.627 44.455 45.100 -0.029 0.000 0.935 90 G HN 0.179 nan 8.290 nan 0.000 0.590 91 S N -0.758 115.084 115.700 0.237 0.000 2.669 91 S HA 0.466 4.936 4.470 0.000 0.000 0.270 91 S C 1.039 175.778 174.600 0.232 0.000 1.225 91 S CA 0.705 59.027 58.200 0.202 0.000 0.991 91 S CB 1.889 65.170 63.200 0.134 0.000 0.987 91 S HN 0.788 nan 8.310 nan 0.000 0.552 92 D N 1.099 121.598 120.400 0.166 0.000 2.104 92 D HA -0.182 4.458 4.640 0.000 0.000 0.194 92 D C 2.075 178.462 176.300 0.143 0.000 0.994 92 D CA 1.735 55.830 54.000 0.158 0.000 0.830 92 D CB -0.509 40.378 40.800 0.145 0.000 0.959 92 D HN 0.714 nan 8.370 nan 0.000 0.452 93 A N 0.522 123.407 122.820 0.108 0.000 1.940 93 A HA -0.230 4.090 4.320 0.000 0.000 0.219 93 A C 2.233 179.855 177.584 0.063 0.000 1.176 93 A CA 1.698 53.777 52.037 0.070 0.000 0.631 93 A CB -0.654 18.378 19.000 0.053 0.000 0.814 93 A HN 0.381 nan 8.150 nan 0.000 0.446 94 Q N -0.851 119.011 119.800 0.104 0.000 2.123 94 Q HA 0.012 4.352 4.340 0.000 0.000 0.199 94 Q C 2.110 178.132 176.000 0.035 0.000 0.966 94 Q CA 1.007 56.882 55.803 0.120 0.000 0.845 94 Q CB -0.212 28.662 28.738 0.227 0.000 0.907 94 Q HN 0.693 nan 8.270 nan 0.000 0.439 95 L N 0.567 121.744 121.223 -0.076 0.000 2.027 95 L HA -0.200 4.140 4.340 0.000 0.000 0.206 95 L C 2.206 178.986 176.870 -0.150 0.000 1.074 95 L CA 1.476 56.030 54.840 -0.477 0.000 0.745 95 L CB -0.107 41.682 42.059 -0.450 0.000 0.898 95 L HN 0.217 nan 8.230 nan 0.000 0.433 96 R N -0.583 119.912 120.500 -0.007 0.000 2.096 96 R HA -0.214 4.126 4.340 0.000 0.000 0.235 96 R C 2.223 178.496 176.300 -0.045 0.000 1.127 96 R CA 1.756 57.842 56.100 -0.022 0.000 0.968 96 R CB -0.217 30.043 30.300 -0.066 0.000 0.861 96 R HN 0.534 nan 8.270 nan 0.000 0.440 97 Q N -0.232 119.546 119.800 -0.037 0.000 2.123 97 Q HA -0.031 4.309 4.340 0.000 0.000 0.199 97 Q C 2.170 178.142 176.000 -0.047 0.000 0.966 97 Q CA 1.383 57.165 55.803 -0.034 0.000 0.845 97 Q CB -0.039 28.689 28.738 -0.016 0.000 0.907 97 Q HN 0.352 nan 8.270 nan 0.000 0.439 98 A N 1.193 123.972 122.820 -0.067 0.000 1.858 98 A HA -0.147 4.173 4.320 0.000 0.000 0.216 98 A C 2.322 179.856 177.584 -0.083 0.000 1.190 98 A CA 1.655 53.641 52.037 -0.085 0.000 0.617 98 A CB -1.051 17.875 19.000 -0.122 0.000 0.827 98 A HN 0.392 nan 8.150 nan 0.000 0.443 99 A N -0.771 122.001 122.820 -0.080 0.000 1.908 99 A HA -0.161 4.160 4.320 0.000 0.000 0.218 99 A C 2.514 180.071 177.584 -0.045 0.000 1.181 99 A CA 2.417 54.425 52.037 -0.048 0.000 0.627 99 A CB -1.009 18.011 19.000 0.033 0.000 0.818 99 A HN 0.615 nan 8.150 nan 0.000 0.445 100 S N -0.642 115.031 115.700 -0.044 0.000 2.368 100 S HA 0.008 4.478 4.470 0.000 0.000 0.224 100 S C 2.167 176.744 174.600 -0.038 0.000 1.029 100 S CA 1.507 59.683 58.200 -0.041 0.000 0.988 100 S CB -0.465 62.709 63.200 -0.043 0.000 0.838 100 S HN 0.822 nan 8.310 nan 0.000 0.462 101 A N 1.550 124.346 122.820 -0.040 0.000 1.898 101 A HA 0.084 4.404 4.320 0.000 0.000 0.216 101 A C 2.112 179.674 177.584 -0.035 0.000 1.181 101 A CA 1.158 53.173 52.037 -0.037 0.000 0.620 101 A CB -0.679 18.297 19.000 -0.040 0.000 0.819 101 A HN 0.507 nan 8.150 nan 0.000 0.442 102 L N -0.224 120.973 121.223 -0.044 0.000 2.005 102 L HA -0.083 4.257 4.340 0.000 0.000 0.207 102 L C 2.753 179.603 176.870 -0.034 0.000 1.072 102 L CA 2.109 56.925 54.840 -0.040 0.000 0.744 102 L CB -1.943 40.081 42.059 -0.058 0.000 0.895 102 L HN 0.415 nan 8.230 nan 0.000 0.433 103 G N -0.807 107.968 108.800 -0.041 0.000 2.440 103 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 103 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 103 G C 1.603 176.489 174.900 -0.024 0.000 1.154 103 G CA 0.819 45.898 45.100 -0.036 0.000 0.767 103 G HN 0.515 nan 8.290 nan 0.000 0.552 104 G N 0.790 109.576 108.800 -0.023 0.000 2.432 104 G HA2 0.079 4.039 3.960 0.000 0.000 0.219 104 G HA3 0.079 4.039 3.960 0.000 0.000 0.219 104 G C 1.818 176.710 174.900 -0.013 0.000 1.135 104 G CA 1.377 46.467 45.100 -0.018 0.000 0.767 104 G HN 0.699 nan 8.290 nan 0.000 0.550 105 A N -0.634 122.179 122.820 -0.012 0.000 2.178 105 A HA 0.484 4.804 4.320 0.000 0.000 0.211 105 A C 1.862 179.447 177.584 0.002 0.000 1.157 105 A CA 1.301 53.336 52.037 -0.004 0.000 0.780 105 A CB -0.222 18.778 19.000 -0.000 0.000 0.828 105 A HN 1.594 nan 8.150 nan 0.000 0.476 106 G N -1.526 107.273 108.800 -0.002 0.000 2.141 106 G HA2 -0.109 3.851 3.960 0.000 0.000 0.195 106 G HA3 -0.109 3.851 3.960 0.000 0.000 0.195 106 G C -0.148 174.753 174.900 0.002 0.000 1.012 106 G CA -0.046 45.054 45.100 -0.001 0.000 0.696 106 G HN 0.813 nan 8.290 nan 0.000 0.508 107 V N 0.928 120.840 119.914 -0.003 0.000 2.384 107 V HA 0.421 4.541 4.120 0.000 0.000 0.287 107 V C 0.697 176.762 176.094 -0.047 0.000 1.020 107 V CA -0.910 61.389 62.300 -0.002 0.000 0.850 107 V CB 1.577 33.417 31.823 0.027 0.000 0.987 107 V HN 0.320 nan 8.190 nan 0.000 0.436 108 K N 2.828 123.183 120.400 -0.075 0.000 2.326 108 K HA 0.424 4.744 4.320 0.000 0.000 0.275 108 K C -0.271 176.233 176.600 -0.161 0.000 1.018 108 K CA -0.202 56.007 56.287 -0.131 0.000 0.962 108 K CB 1.667 34.055 32.500 -0.186 0.000 0.953 108 K HN 0.601 nan 8.250 nan 0.000 0.475 109 V N 4.227 124.012 119.914 -0.216 0.000 2.398 109 V HA 0.436 4.557 4.120 0.000 0.000 0.286 109 V C -0.861 174.955 176.094 -0.462 0.000 1.026 109 V CA -0.718 61.383 62.300 -0.331 0.000 0.868 109 V CB 0.589 32.188 31.823 -0.375 0.000 0.982 109 V HN 0.554 nan 8.190 nan 0.000 0.443 110 L N 7.087 128.067 121.223 -0.405 0.000 2.305 110 L HA 0.555 4.895 4.340 0.000 0.000 0.284 110 L C -0.972 175.679 176.870 -0.364 0.000 1.013 110 L CA -0.572 54.060 54.840 -0.347 0.000 0.819 110 L CB 1.339 43.330 42.059 -0.114 0.000 1.227 110 L HN 0.615 nan 8.230 nan 0.000 0.417 111 Y N 0.904 121.130 120.300 -0.124 0.000 2.310 111 Y HA 0.200 4.750 4.550 0.000 0.000 0.326 111 Y C 0.516 176.365 175.900 -0.086 0.000 1.151 111 Y CA -0.456 57.588 58.100 -0.094 0.000 1.195 111 Y CB 0.894 39.273 38.460 -0.136 0.000 1.210 111 Y HN 0.454 nan 8.280 nan 0.000 0.483 112 D N 2.612 123.061 120.400 0.081 0.000 2.317 112 D HA 0.321 4.961 4.640 0.000 0.000 0.252 112 D C -1.092 175.016 176.300 -0.319 0.000 1.174 112 D CA 0.018 54.032 54.000 0.024 0.000 0.866 112 D CB 0.866 41.828 40.800 0.269 0.000 1.127 112 D HN 0.373 nan 8.370 nan 0.000 0.467 113 V N 1.491 121.166 119.914 -0.399 0.000 2.604 113 V HA 0.620 4.740 4.120 0.000 0.000 0.305 113 V C -0.356 175.589 176.094 -0.248 0.000 1.043 113 V CA -0.854 61.049 62.300 -0.661 0.000 0.888 113 V CB 1.906 33.295 31.823 -0.723 0.000 0.995 113 V HN 0.203 nan 8.190 nan 0.000 0.429 114 V N 5.321 125.172 119.914 -0.106 0.000 2.235 114 V HA 0.370 4.490 4.120 0.000 0.000 0.266 114 V C -1.837 174.421 176.094 0.273 0.000 1.055 114 V CA -1.031 61.409 62.300 0.233 0.000 0.844 114 V CB 0.927 33.007 31.823 0.429 0.000 1.097 114 V HN 0.855 nan 8.190 nan 0.000 0.453 115 P HA 0.016 nan 4.420 nan 0.000 0.231 115 P C 1.396 178.581 177.300 -0.191 0.000 1.168 115 P CA 0.636 63.311 63.100 -0.708 0.000 0.779 115 P CB 0.373 31.376 31.700 -1.161 0.000 0.844 116 N N -0.028 118.702 118.700 0.050 0.000 2.120 116 N HA -0.124 4.616 4.740 0.000 0.000 0.188 116 N C 0.737 176.432 175.510 0.307 0.000 1.024 116 N CA 0.955 54.187 53.050 0.303 0.000 0.852 116 N CB -0.040 38.843 38.487 0.660 0.000 1.003 116 N HN 0.256 nan 8.380 nan 0.000 0.424 117 H N -2.709 116.560 119.070 0.332 0.000 2.966 117 H HA 0.460 5.017 4.556 0.000 0.000 0.330 117 H C -0.869 174.437 175.328 -0.037 0.000 1.292 117 H CA -1.048 55.140 56.048 0.233 0.000 1.127 117 H CB 0.887 30.790 29.762 0.235 0.000 1.863 117 H HN 0.112 nan 8.280 nan 0.000 0.543 118 M N -0.049 119.447 119.600 -0.172 0.000 2.682 118 M HA 0.342 4.822 4.480 0.000 0.000 0.272 118 M C -1.677 174.047 176.300 -0.960 0.000 1.232 118 M CA -0.811 53.879 55.300 -1.018 0.000 0.849 118 M CB 2.808 34.618 32.600 -1.317 0.000 1.695 118 M HN 0.581 nan 8.290 nan 0.000 0.481 119 N N 1.483 119.414 118.700 -1.282 0.000 2.671 119 N HA 0.102 4.842 4.740 0.000 0.000 0.274 119 N C 0.792 176.081 175.510 -0.368 0.000 1.188 119 N CA -0.123 52.270 53.050 -1.094 0.000 1.065 119 N CB 0.475 38.498 38.487 -0.774 0.000 1.415 119 N HN 0.724 nan 8.380 nan 0.000 0.511 120 R N 2.192 122.545 120.500 -0.245 0.000 2.105 120 R HA -0.123 4.217 4.340 0.000 0.000 0.239 120 R C 1.700 177.927 176.300 -0.121 0.000 1.135 120 R CA 1.840 57.840 56.100 -0.166 0.000 0.967 120 R CB -0.208 29.855 30.300 -0.395 0.000 0.861 120 R HN 0.534 nan 8.270 nan 0.000 0.442 121 G N -1.018 107.750 108.800 -0.053 0.000 2.813 121 G HA2 -0.177 3.783 3.960 0.000 0.000 0.209 121 G HA3 -0.177 3.783 3.960 0.000 0.000 0.209 121 G C -0.081 174.825 174.900 0.011 0.000 1.150 121 G CA -0.370 44.720 45.100 -0.018 0.000 0.785 121 G HN 0.300 nan 8.290 nan 0.000 0.535 122 Y N 2.049 122.291 120.300 -0.096 0.000 2.544 122 Y HA 0.224 4.774 4.550 0.000 0.000 0.330 122 Y C -1.046 174.792 175.900 -0.105 0.000 1.136 122 Y CA -1.954 56.075 58.100 -0.119 0.000 1.417 122 Y CB 1.650 39.979 38.460 -0.218 0.000 1.229 122 Y HN -0.011 nan 8.280 nan 0.000 0.532 123 P HA -0.085 nan 4.420 nan 0.000 0.215 123 P C -0.456 176.711 177.300 -0.221 0.000 1.157 123 P CA 1.339 64.239 63.100 -0.332 0.000 0.856 123 P CB 0.383 31.874 31.700 -0.348 0.000 0.786 124 D N 1.522 121.745 120.400 -0.296 0.000 2.564 124 D HA 0.128 4.768 4.640 0.000 0.000 0.226 124 D C 0.439 176.887 176.300 0.246 0.000 1.149 124 D CA 0.119 54.132 54.000 0.023 0.000 0.994 124 D CB 0.073 40.914 40.800 0.067 0.000 1.029 124 D HN 0.408 nan 8.370 nan 0.000 0.517 125 K N -1.034 119.476 120.400 0.184 0.000 2.444 125 K HA 0.505 4.825 4.320 0.000 0.000 0.252 125 K C 0.179 176.816 176.600 0.062 0.000 0.993 125 K CA -0.839 55.580 56.287 0.219 0.000 0.847 125 K CB 1.910 34.563 32.500 0.255 0.000 1.340 125 K HN -0.247 nan 8.250 nan 0.000 0.446 126 E N 0.414 120.611 120.200 -0.004 0.000 2.474 126 E HA 0.164 4.514 4.350 0.000 0.000 0.194 126 E C -0.209 176.301 176.600 -0.150 0.000 1.041 126 E CA 0.187 56.541 56.400 -0.075 0.000 0.874 126 E CB 0.135 29.779 29.700 -0.093 0.000 0.914 126 E HN 0.359 nan 8.360 nan 0.000 0.498 127 I N 1.706 122.163 120.570 -0.188 0.000 2.355 127 I HA 0.200 4.370 4.170 0.000 0.000 0.288 127 I C -0.929 175.086 176.117 -0.171 0.000 0.999 127 I CA -0.488 60.655 61.300 -0.261 0.000 1.163 127 I CB 1.337 39.083 38.000 -0.423 0.000 1.316 127 I HN -0.112 nan 8.210 nan 0.000 0.454 128 N N 7.272 125.879 118.700 -0.154 0.000 2.573 128 N HA 0.447 5.187 4.740 0.000 0.000 0.262 128 N C -1.247 174.209 175.510 -0.089 0.000 1.029 128 N CA -0.468 52.539 53.050 -0.071 0.000 0.882 128 N CB 1.433 39.899 38.487 -0.036 0.000 1.204 128 N HN 0.400 nan 8.380 nan 0.000 0.519 129 L N 3.531 124.738 121.223 -0.027 0.000 2.259 129 L HA 0.522 4.862 4.340 0.000 0.000 0.288 129 L C -1.884 175.243 176.870 0.430 0.000 1.051 129 L CA -1.757 53.052 54.840 -0.052 0.000 0.824 129 L CB 0.454 42.286 42.059 -0.379 0.000 1.206 129 L HN 0.246 nan 8.230 nan 0.000 0.429 130 P HA 0.188 nan 4.420 nan 0.000 0.274 130 P C -0.442 177.147 177.300 0.481 0.000 1.246 130 P CA -0.423 62.875 63.100 0.330 0.000 0.795 130 P CB 1.047 32.889 31.700 0.236 0.000 1.006 131 A N 0.325 123.310 122.820 0.275 0.000 2.272 131 A HA 0.529 4.849 4.320 0.000 0.000 0.275 131 A C 1.353 179.044 177.584 0.179 0.000 1.096 131 A CA 0.206 52.388 52.037 0.241 0.000 0.822 131 A CB -1.044 17.998 19.000 0.070 0.000 1.088 131 A HN 0.851 nan 8.150 nan 0.000 0.495 132 G N -0.902 107.982 108.800 0.140 0.000 2.168 132 G HA2 -0.282 3.678 3.960 0.000 0.000 0.263 132 G HA3 -0.282 3.678 3.960 0.000 0.000 0.263 132 G C 0.487 175.384 174.900 -0.005 0.000 0.977 132 G CA 0.989 46.128 45.100 0.064 0.000 0.659 132 G HN 0.786 nan 8.290 nan 0.000 0.533 133 Q N -0.907 118.839 119.800 -0.090 0.000 2.247 133 Q HA 0.427 4.767 4.340 0.000 0.000 0.211 133 Q C 1.755 177.475 176.000 -0.467 0.000 0.861 133 Q CA 0.445 56.036 55.803 -0.353 0.000 0.949 133 Q CB 0.711 29.097 28.738 -0.586 0.000 1.115 133 Q HN 1.435 nan 8.270 nan 0.000 0.507 134 G N 0.611 109.283 108.800 -0.213 0.000 2.137 134 G HA2 -0.260 3.700 3.960 0.000 0.000 0.237 134 G HA3 -0.260 3.700 3.960 0.000 0.000 0.237 134 G C 0.208 175.091 174.900 -0.029 0.000 1.002 134 G CA 0.117 45.189 45.100 -0.047 0.000 0.702 134 G HN 0.367 nan 8.290 nan 0.000 0.515 135 F N -1.289 118.629 119.950 -0.052 0.000 2.664 135 F HA 0.399 4.926 4.527 0.000 0.000 0.296 135 F C 1.365 176.891 175.800 -0.457 0.000 1.125 135 F CA -0.273 57.501 58.000 -0.376 0.000 1.444 135 F CB 0.004 38.615 39.000 -0.649 0.000 1.114 135 F HN 0.270 nan 8.300 nan 0.000 0.576 136 W N 0.015 121.451 121.300 0.227 0.000 2.689 136 W HA 0.473 5.134 4.660 0.000 0.000 0.340 136 W C 1.616 178.235 176.519 0.167 0.000 1.060 136 W CA -1.124 56.333 57.345 0.188 0.000 1.218 136 W CB 0.859 30.408 29.460 0.149 0.000 1.410 136 W HN -0.384 nan 8.180 nan 0.000 0.528 137 R N 1.817 122.577 120.500 0.434 0.000 2.103 137 R HA -0.259 4.081 4.340 0.000 0.000 0.242 137 R C 1.491 177.945 176.300 0.258 0.000 1.142 137 R CA 2.260 58.545 56.100 0.310 0.000 0.960 137 R CB -0.383 30.101 30.300 0.305 0.000 0.858 137 R HN 0.642 nan 8.270 nan 0.000 0.439 138 N N 0.279 119.139 118.700 0.266 0.000 2.501 138 N HA -0.110 4.630 4.740 0.000 0.000 0.195 138 N C 0.049 175.656 175.510 0.161 0.000 1.213 138 N CA 0.805 53.959 53.050 0.173 0.000 0.864 138 N CB -0.038 38.518 38.487 0.116 0.000 0.999 138 N HN 0.257 nan 8.380 nan 0.000 0.454 139 D N -0.252 120.275 120.400 0.212 0.000 2.347 139 D HA 0.072 4.712 4.640 0.000 0.000 0.213 139 D C -0.096 176.275 176.300 0.119 0.000 0.985 139 D CA 0.238 54.340 54.000 0.170 0.000 0.879 139 D CB 0.226 41.142 40.800 0.193 0.000 0.919 139 D HN 0.275 nan 8.370 nan 0.000 0.526 140 c N 0.380 119.055 118.600 0.125 0.000 2.486 140 c HA 0.772 5.342 4.570 0.000 0.000 0.348 140 c C 0.502 174.646 174.090 0.091 0.000 1.203 140 c CA -1.276 55.112 56.329 0.099 0.000 1.911 140 c CB 1.405 43.978 42.510 0.105 0.000 2.340 140 c HN 0.265 nan 8.230 nan 0.000 0.511 141 A N 1.384 124.248 122.820 0.075 0.000 2.520 141 A HA 0.397 4.717 4.320 0.000 0.000 0.245 141 A C -0.205 177.429 177.584 0.083 0.000 1.072 141 A CA 0.534 52.612 52.037 0.068 0.000 0.761 141 A CB -0.041 18.992 19.000 0.055 0.000 1.004 141 A HN 0.861 nan 8.150 nan 0.000 0.499 142 D N 3.170 123.618 120.400 0.080 0.000 2.404 142 D HA 0.353 4.993 4.640 0.000 0.000 0.267 142 D C -1.002 175.347 176.300 0.080 0.000 1.194 142 D CA -1.345 52.711 54.000 0.092 0.000 0.910 142 D CB 0.920 41.777 40.800 0.095 0.000 1.090 142 D HN 0.304 nan 8.370 nan 0.000 0.511 143 P HA 0.161 nan 4.420 nan 0.000 0.212 143 P C 0.625 177.986 177.300 0.101 0.000 1.180 143 P CA 0.607 63.762 63.100 0.093 0.000 0.906 143 P CB 0.352 32.115 31.700 0.106 0.000 0.782 144 G N -1.204 107.688 108.800 0.153 0.000 2.975 144 G HA2 0.206 4.166 3.960 0.000 0.000 0.291 144 G HA3 0.206 4.166 3.960 0.000 0.000 0.291 144 G C -1.211 173.693 174.900 0.006 0.000 1.334 144 G CA -0.617 44.542 45.100 0.098 0.000 0.843 144 G HN 0.253 nan 8.290 nan 0.000 0.548 145 N N 0.207 118.771 118.700 -0.226 0.000 3.050 145 N HA 0.281 5.021 4.740 0.000 0.000 0.289 145 N C -1.284 173.790 175.510 -0.727 0.000 1.209 145 N CA 0.041 52.882 53.050 -0.349 0.000 1.154 145 N CB -0.110 38.178 38.487 -0.332 0.000 1.444 145 N HN 0.298 nan 8.380 nan 0.000 0.529 146 Y N 0.115 120.436 120.300 0.035 0.000 2.609 146 Y HA 0.381 4.931 4.550 0.000 0.000 0.336 146 Y C -2.305 173.645 175.900 0.084 0.000 1.129 146 Y CA -2.134 55.998 58.100 0.054 0.000 1.040 146 Y CB 1.250 39.756 38.460 0.076 0.000 1.310 146 Y HN 0.319 nan 8.280 nan 0.000 0.460 147 P HA 0.119 nan 4.420 nan 0.000 0.268 147 P C -0.768 176.648 177.300 0.193 0.000 1.205 147 P CA 0.099 63.325 63.100 0.210 0.000 0.771 147 P CB 0.545 32.361 31.700 0.193 0.000 0.858 148 N N 0.889 119.689 118.700 0.167 0.000 3.091 148 N HA 0.213 4.953 4.740 0.000 0.000 0.329 148 N C 0.118 175.703 175.510 0.125 0.000 1.430 148 N CA -0.456 52.679 53.050 0.141 0.000 0.755 148 N CB -0.010 38.561 38.487 0.139 0.000 1.626 148 N HN 0.025 nan 8.380 nan 0.000 0.614 149 D N -0.635 119.829 120.400 0.106 0.000 2.312 149 D HA 0.071 4.711 4.640 0.000 0.000 0.211 149 D C 0.410 176.773 176.300 0.105 0.000 0.964 149 D CA 0.726 54.781 54.000 0.090 0.000 0.877 149 D CB -0.177 40.665 40.800 0.070 0.000 0.924 149 D HN 0.454 nan 8.370 nan 0.000 0.515 150 c N 0.361 119.040 118.600 0.132 0.000 3.104 150 c HA 0.227 4.797 4.570 0.000 0.000 0.284 150 c C 0.145 174.353 174.090 0.196 0.000 1.326 150 c CA -0.525 55.900 56.329 0.160 0.000 1.725 150 c CB -0.135 42.479 42.510 0.173 0.000 2.156 150 c HN 0.103 nan 8.230 nan 0.000 0.638 151 D N 0.571 121.086 120.400 0.193 0.000 2.369 151 D HA 0.087 4.727 4.640 0.000 0.000 0.212 151 D C -0.565 175.861 176.300 0.210 0.000 1.326 151 D CA -0.023 54.115 54.000 0.229 0.000 0.933 151 D CB 0.531 41.485 40.800 0.257 0.000 1.516 151 D HN 0.225 nan 8.370 nan 0.000 0.557 152 D N 1.930 122.455 120.400 0.209 0.000 2.400 152 D HA 0.320 4.960 4.640 0.000 0.000 0.243 152 D C 0.653 177.068 176.300 0.191 0.000 1.184 152 D CA -0.172 53.937 54.000 0.180 0.000 0.853 152 D CB 0.090 40.979 40.800 0.147 0.000 0.944 152 D HN 0.373 nan 8.370 nan 0.000 0.501 153 G N -0.983 107.943 108.800 0.210 0.000 2.782 153 G HA2 0.338 4.298 3.960 0.000 0.000 0.304 153 G HA3 0.338 4.298 3.960 0.000 0.000 0.304 153 G C -1.112 173.883 174.900 0.157 0.000 1.315 153 G CA -0.821 44.380 45.100 0.168 0.000 0.791 153 G HN -0.005 nan 8.290 nan 0.000 0.519 154 D N 0.032 120.485 120.400 0.088 0.000 2.384 154 D HA 0.413 5.053 4.640 0.000 0.000 0.244 154 D C 0.782 177.230 176.300 0.248 0.000 1.251 154 D CA 0.134 54.173 54.000 0.066 0.000 0.961 154 D CB 0.676 41.429 40.800 -0.078 0.000 1.116 154 D HN 0.593 nan 8.370 nan 0.000 0.484 155 R N -0.661 119.975 120.500 0.226 0.000 2.873 155 R HA 0.568 4.908 4.340 0.000 0.000 0.264 155 R C -0.932 175.593 176.300 0.375 0.000 1.026 155 R CA -0.896 55.398 56.100 0.323 0.000 1.002 155 R CB 0.802 31.212 30.300 0.184 0.000 1.174 155 R HN 0.317 nan 8.270 nan 0.000 0.488 156 F N 3.380 123.409 119.950 0.132 0.000 2.371 156 F HA 0.339 4.866 4.527 0.000 0.000 0.363 156 F C 0.833 176.533 175.800 -0.166 0.000 1.122 156 F CA -0.393 57.502 58.000 -0.175 0.000 1.129 156 F CB -0.068 38.586 39.000 -0.576 0.000 1.173 156 F HN 0.831 nan 8.300 nan 0.000 0.489 157 I N 3.202 123.321 120.570 -0.751 0.000 4.906 157 I HA -0.456 3.714 4.170 0.000 0.000 0.038 157 I C 1.920 177.833 176.117 -0.341 0.000 0.635 157 I CA 1.639 62.536 61.300 -0.672 0.000 0.215 157 I CB -1.461 35.941 38.000 -0.996 0.000 0.324 157 I HN 0.666 nan 8.210 nan 0.000 0.150 158 G N 0.008 108.639 108.800 -0.281 0.000 2.534 158 G HA2 0.295 4.255 3.960 0.000 0.000 0.217 158 G HA3 0.295 4.255 3.960 0.000 0.000 0.217 158 G C 1.204 176.078 174.900 -0.044 0.000 1.128 158 G CA 1.115 46.132 45.100 -0.140 0.000 0.784 158 G HN 1.762 nan 8.290 nan 0.000 0.542 159 G N 1.011 109.813 108.800 0.005 0.000 2.184 159 G HA2 -0.363 3.597 3.960 0.000 0.000 0.264 159 G HA3 -0.363 3.597 3.960 0.000 0.000 0.264 159 G C 1.033 176.023 174.900 0.149 0.000 0.975 159 G CA 0.926 46.097 45.100 0.119 0.000 0.642 159 G HN 0.666 nan 8.290 nan 0.000 0.536 160 D N 0.201 120.656 120.400 0.091 0.000 2.348 160 D HA 0.276 4.916 4.640 0.000 0.000 0.216 160 D C 1.819 178.171 176.300 0.086 0.000 0.970 160 D CA 1.088 55.125 54.000 0.061 0.000 0.889 160 D CB -0.204 40.595 40.800 -0.001 0.000 0.912 160 D HN 0.853 nan 8.370 nan 0.000 0.524 161 A N 0.216 123.174 122.820 0.229 0.000 2.470 161 A HA 0.167 4.487 4.320 0.000 0.000 0.251 161 A C -0.067 177.852 177.584 0.557 0.000 1.245 161 A CA -0.438 51.802 52.037 0.337 0.000 0.932 161 A CB 0.153 19.427 19.000 0.458 0.000 1.037 161 A HN -0.063 nan 8.150 nan 0.000 0.522 162 D N 0.404 121.118 120.400 0.524 0.000 2.390 162 D HA 0.420 5.060 4.640 0.000 0.000 0.249 162 D C -0.137 176.496 176.300 0.555 0.000 1.144 162 D CA 0.521 54.840 54.000 0.531 0.000 0.880 162 D CB 0.805 41.870 40.800 0.440 0.000 1.182 162 D HN 0.253 nan 8.370 nan 0.000 0.451 163 L N 2.486 123.949 121.223 0.401 0.000 2.379 163 L HA 0.259 4.599 4.340 0.000 0.000 0.269 163 L C 0.657 177.666 176.870 0.232 0.000 1.084 163 L CA -0.713 54.231 54.840 0.172 0.000 0.802 163 L CB 0.737 42.864 42.059 0.113 0.000 1.175 163 L HN 0.337 nan 8.230 nan 0.000 0.448 164 N N 0.343 119.134 118.700 0.151 0.000 2.719 164 N HA 0.004 4.744 4.740 0.000 0.000 0.243 164 N C 0.982 176.661 175.510 0.281 0.000 1.104 164 N CA -0.075 53.114 53.050 0.231 0.000 0.981 164 N CB 0.636 39.255 38.487 0.220 0.000 1.290 164 N HN 0.673 nan 8.380 nan 0.000 0.513 165 T N -0.978 113.773 114.554 0.328 0.000 2.929 165 T HA -0.058 4.292 4.350 0.000 0.000 0.271 165 T C 1.723 176.653 174.700 0.383 0.000 1.085 165 T CA 1.081 63.431 62.100 0.418 0.000 1.125 165 T CB -0.266 68.853 68.868 0.419 0.000 0.874 165 T HN 0.333 nan 8.240 nan 0.000 0.494 166 G N -0.095 108.868 108.800 0.272 0.000 2.551 166 G HA2 0.015 3.975 3.960 0.000 0.000 0.216 166 G HA3 0.015 3.975 3.960 0.000 0.000 0.216 166 G C 0.453 175.457 174.900 0.175 0.000 1.137 166 G CA -0.272 44.930 45.100 0.171 0.000 0.798 166 G HN 0.747 nan 8.290 nan 0.000 0.536 167 H N 1.907 121.073 119.070 0.160 0.000 3.034 167 H HA 0.108 4.664 4.556 0.000 0.000 0.324 167 H C -0.643 174.795 175.328 0.183 0.000 1.015 167 H CA -1.020 55.115 56.048 0.145 0.000 1.429 167 H CB 1.602 31.470 29.762 0.176 0.000 1.429 167 H HN -0.040 nan 8.280 nan 0.000 0.585 168 P HA -0.296 nan 4.420 nan 0.000 0.216 168 P C 1.258 178.792 177.300 0.390 0.000 1.157 168 P CA 1.623 64.838 63.100 0.193 0.000 0.880 168 P CB 0.205 31.917 31.700 0.020 0.000 0.791 169 Q N -0.201 119.972 119.800 0.623 0.000 2.119 169 Q HA -0.082 4.258 4.340 0.000 0.000 0.201 169 Q C 2.084 178.177 176.000 0.155 0.000 0.972 169 Q CA 1.297 57.297 55.803 0.329 0.000 0.847 169 Q CB -0.208 28.710 28.738 0.300 0.000 0.903 169 Q HN 0.035 nan 8.270 nan 0.000 0.433 170 V N 0.221 120.262 119.914 0.212 0.000 2.283 170 V HA -0.242 3.878 4.120 0.000 0.000 0.243 170 V C 2.002 178.254 176.094 0.263 0.000 1.039 170 V CA 1.885 64.238 62.300 0.089 0.000 1.016 170 V CB -0.976 30.942 31.823 0.159 0.000 0.650 170 V HN 0.480 nan 8.190 nan 0.000 0.449 171 Y N 2.220 122.729 120.300 0.347 0.000 2.114 171 Y HA -0.254 4.296 4.550 0.000 0.000 0.282 171 Y C 2.325 178.486 175.900 0.436 0.000 1.165 171 Y CA 2.039 60.435 58.100 0.494 0.000 1.148 171 Y CB -0.859 37.742 38.460 0.234 0.000 0.972 171 Y HN 0.195 nan 8.280 nan 0.000 0.504 172 G N 0.219 109.195 108.800 0.293 0.000 2.418 172 G HA2 -0.316 3.644 3.960 0.000 0.000 0.217 172 G HA3 -0.316 3.644 3.960 0.000 0.000 0.217 172 G C 1.758 176.610 174.900 -0.081 0.000 1.158 172 G CA 0.946 46.124 45.100 0.131 0.000 0.771 172 G HN 0.524 nan 8.290 nan 0.000 0.545 173 M N -0.655 118.849 119.600 -0.160 0.000 2.080 173 M HA -0.039 4.441 4.480 0.000 0.000 0.260 173 M C 2.310 178.278 176.300 -0.553 0.000 1.068 173 M CA 1.572 56.666 55.300 -0.344 0.000 1.109 173 M CB -0.200 32.111 32.600 -0.482 0.000 1.342 173 M HN 0.228 nan 8.290 nan 0.000 0.405 174 F N -0.022 119.619 119.950 -0.514 0.000 2.113 174 F HA -0.144 4.383 4.527 0.000 0.000 0.297 174 F C 2.708 177.591 175.800 -1.529 0.000 1.103 174 F CA 1.495 58.760 58.000 -1.225 0.000 1.248 174 F CB -1.052 37.133 39.000 -1.359 0.000 0.999 174 F HN 0.188 nan 8.300 nan 0.000 0.475 175 R N 0.816 120.936 120.500 -0.633 0.000 2.112 175 R HA -0.211 4.129 4.340 0.000 0.000 0.242 175 R C 1.696 177.844 176.300 -0.253 0.000 1.137 175 R CA 2.376 58.300 56.100 -0.292 0.000 0.944 175 R CB -0.723 29.537 30.300 -0.067 0.000 0.857 175 R HN 0.219 nan 8.270 nan 0.000 0.435 176 D N -0.024 120.223 120.400 -0.257 0.000 2.178 176 D HA -0.152 4.488 4.640 0.000 0.000 0.202 176 D C 1.830 177.973 176.300 -0.261 0.000 0.974 176 D CA 1.024 54.915 54.000 -0.180 0.000 0.841 176 D CB -0.222 40.495 40.800 -0.138 0.000 0.953 176 D HN 0.294 nan 8.370 nan 0.000 0.478 177 E N 0.217 120.101 120.200 -0.528 0.000 2.072 177 E HA -0.130 4.220 4.350 0.000 0.000 0.191 177 E C 1.766 178.176 176.600 -0.317 0.000 0.985 177 E CA 0.757 56.773 56.400 -0.640 0.000 0.801 177 E CB -0.341 28.538 29.700 -1.368 0.000 0.750 177 E HN 0.129 nan 8.360 nan 0.000 0.452 178 F N 0.580 120.342 119.950 -0.313 0.000 2.171 178 F HA -0.109 4.418 4.527 0.000 0.000 0.300 178 F C 2.433 178.254 175.800 0.034 0.000 1.090 178 F CA 1.528 59.366 58.000 -0.270 0.000 1.293 178 F CB -1.336 37.371 39.000 -0.489 0.000 1.013 178 F HN 0.033 nan 8.300 nan 0.000 0.486 179 T N -0.258 114.397 114.554 0.167 0.000 2.821 179 T HA -0.188 4.162 4.350 0.000 0.000 0.267 179 T C 1.991 176.769 174.700 0.130 0.000 1.046 179 T CA 1.356 63.550 62.100 0.156 0.000 1.139 179 T CB -0.472 68.451 68.868 0.092 0.000 0.871 179 T HN 0.388 nan 8.240 nan 0.000 0.454 180 N N 0.672 119.415 118.700 0.073 0.000 2.106 180 N HA -0.115 4.625 4.740 0.000 0.000 0.188 180 N C 1.844 177.476 175.510 0.203 0.000 1.029 180 N CA 0.924 54.029 53.050 0.092 0.000 0.848 180 N CB -0.125 38.371 38.487 0.015 0.000 1.007 180 N HN 0.119 nan 8.380 nan 0.000 0.423 181 L N 2.126 123.457 121.223 0.181 0.000 2.042 181 L HA -0.123 4.217 4.340 0.000 0.000 0.210 181 L C 2.700 179.741 176.870 0.286 0.000 1.076 181 L CA 1.430 56.386 54.840 0.194 0.000 0.749 181 L CB -1.277 40.862 42.059 0.133 0.000 0.893 181 L HN 0.269 nan 8.230 nan 0.000 0.432 182 R N -0.746 119.926 120.500 0.287 0.000 2.066 182 R HA -0.126 4.214 4.340 0.000 0.000 0.232 182 R C 2.387 178.764 176.300 0.129 0.000 1.131 182 R CA 1.804 58.028 56.100 0.207 0.000 0.955 182 R CB -0.165 30.276 30.300 0.235 0.000 0.851 182 R HN 0.482 nan 8.270 nan 0.000 0.432 183 S N -1.118 114.648 115.700 0.110 0.000 2.486 183 S HA 0.062 4.532 4.470 0.000 0.000 0.220 183 S C 1.616 176.206 174.600 -0.017 0.000 1.011 183 S CA -0.086 58.141 58.200 0.046 0.000 0.921 183 S CB 0.444 63.670 63.200 0.043 0.000 0.785 183 S HN 0.311 nan 8.310 nan 0.000 0.517 184 Q N -0.418 119.359 119.800 -0.038 0.000 2.392 184 Q HA 0.270 4.610 4.340 0.000 0.000 0.219 184 Q C 0.063 175.680 176.000 -0.639 0.000 0.895 184 Q CA 0.607 56.226 55.803 -0.307 0.000 0.929 184 Q CB 0.167 28.713 28.738 -0.320 0.000 1.077 184 Q HN 0.790 nan 8.270 nan 0.000 0.532 185 Y N -0.716 119.580 120.300 -0.007 0.000 2.641 185 Y HA 0.347 4.897 4.550 0.000 0.000 0.248 185 Y C 1.142 177.109 175.900 0.111 0.000 1.170 185 Y CA 0.008 58.116 58.100 0.014 0.000 1.201 185 Y CB 0.915 39.309 38.460 -0.110 0.000 1.232 185 Y HN 0.131 nan 8.280 nan 0.000 0.537 186 G N 1.134 110.009 108.800 0.126 0.000 2.249 186 G HA2 -0.233 3.727 3.960 0.000 0.000 0.273 186 G HA3 -0.233 3.727 3.960 0.000 0.000 0.273 186 G C 0.387 175.337 174.900 0.083 0.000 1.036 186 G CA 0.108 45.254 45.100 0.077 0.000 0.824 186 G HN 0.665 nan 8.290 nan 0.000 0.504 187 A N -0.367 122.552 122.820 0.166 0.000 2.520 187 A HA 0.592 4.912 4.320 0.000 0.000 0.245 187 A C 1.538 179.023 177.584 -0.164 0.000 1.072 187 A CA 1.214 53.253 52.037 0.002 0.000 0.761 187 A CB 0.614 19.619 19.000 0.009 0.000 1.004 187 A HN 1.602 nan 8.150 nan 0.000 0.499 188 G N 1.167 109.806 108.800 -0.268 0.000 3.159 188 G HA2 0.532 4.492 3.960 0.000 0.000 0.232 188 G HA3 0.532 4.492 3.960 0.000 0.000 0.232 188 G C 0.553 175.270 174.900 -0.305 0.000 1.116 188 G CA 0.726 45.679 45.100 -0.245 0.000 0.767 188 G HN 1.815 nan 8.290 nan 0.000 0.547 189 G N -0.863 107.622 108.800 -0.525 0.000 2.341 189 G HA2 0.417 4.377 3.960 0.000 0.000 0.293 189 G HA3 0.417 4.377 3.960 0.000 0.000 0.293 189 G C -1.881 172.422 174.900 -0.994 0.000 1.298 189 G CA -0.999 43.770 45.100 -0.551 0.000 0.868 189 G HN 0.187 nan 8.290 nan 0.000 0.540 190 F N -0.433 119.478 119.950 -0.065 0.000 2.613 190 F HA 0.761 5.288 4.527 0.000 0.000 0.310 190 F C 0.167 175.811 175.800 -0.260 0.000 1.085 190 F CA -0.953 56.874 58.000 -0.289 0.000 0.945 190 F CB 2.368 40.925 39.000 -0.737 0.000 1.298 190 F HN 0.455 nan 8.300 nan 0.000 0.455 191 R N 2.326 122.737 120.500 -0.147 0.000 2.246 191 R HA 0.426 4.766 4.340 0.000 0.000 0.332 191 R C -1.782 174.418 176.300 -0.166 0.000 0.974 191 R CA -0.392 55.609 56.100 -0.164 0.000 0.837 191 R CB 0.346 30.402 30.300 -0.407 0.000 1.145 191 R HN 0.578 nan 8.270 nan 0.000 0.467 192 F N 2.665 122.672 119.950 0.096 0.000 2.438 192 F HA 0.115 4.642 4.527 0.000 0.000 0.356 192 F C 0.935 176.876 175.800 0.236 0.000 1.099 192 F CA -0.035 58.071 58.000 0.176 0.000 1.185 192 F CB 0.859 40.035 39.000 0.295 0.000 1.115 192 F HN 0.494 nan 8.300 nan 0.000 0.526 193 D N 2.241 122.898 120.400 0.428 0.000 2.225 193 D HA 0.180 4.820 4.640 0.000 0.000 0.249 193 D C -0.020 176.619 176.300 0.566 0.000 1.052 193 D CA -0.254 54.031 54.000 0.476 0.000 0.909 193 D CB 0.451 41.553 40.800 0.503 0.000 1.186 193 D HN 0.415 nan 8.370 nan 0.000 0.431 194 F N 2.882 122.991 119.950 0.264 0.000 2.907 194 F HA -0.255 4.272 4.527 0.000 0.000 0.244 194 F C 0.679 176.511 175.800 0.053 0.000 1.007 194 F CA 0.245 58.359 58.000 0.190 0.000 0.872 194 F CB -0.992 38.200 39.000 0.320 0.000 0.767 194 F HN 0.287 nan 8.300 nan 0.000 0.837 195 V N 1.533 121.343 119.914 -0.172 0.000 2.828 195 V HA -0.299 3.821 4.120 0.000 0.000 0.260 195 V C 2.283 178.010 176.094 -0.610 0.000 1.101 195 V CA 2.493 64.501 62.300 -0.486 0.000 1.123 195 V CB -0.458 31.088 31.823 -0.461 0.000 0.704 195 V HN 0.652 nan 8.190 nan 0.000 0.493 196 R N 0.250 120.395 120.500 -0.593 0.000 2.276 196 R HA 0.072 4.413 4.340 0.000 0.000 0.203 196 R C 1.967 178.042 176.300 -0.375 0.000 1.017 196 R CA 1.296 57.099 56.100 -0.496 0.000 1.010 196 R CB -0.784 29.153 30.300 -0.604 0.000 0.900 196 R HN 0.345 nan 8.270 nan 0.000 0.469 197 G N 0.055 108.684 108.800 -0.284 0.000 2.920 197 G HA2 0.045 4.005 3.960 0.000 0.000 0.208 197 G HA3 0.045 4.005 3.960 0.000 0.000 0.208 197 G C -0.377 174.737 174.900 0.357 0.000 1.159 197 G CA 0.156 45.403 45.100 0.244 0.000 0.784 197 G HN 0.505 nan 8.290 nan 0.000 0.535 198 Y N -3.547 116.900 120.300 0.246 0.000 2.624 198 Y HA 0.726 5.276 4.550 0.000 0.000 0.334 198 Y C -0.092 175.934 175.900 0.211 0.000 1.155 198 Y CA -2.218 56.029 58.100 0.245 0.000 1.046 198 Y CB 0.547 39.195 38.460 0.313 0.000 1.316 198 Y HN 0.102 nan 8.280 nan 0.000 0.457 199 A N 2.323 125.308 122.820 0.276 0.000 2.540 199 A HA 0.357 4.677 4.320 0.000 0.000 0.239 199 A C -1.925 175.741 177.584 0.137 0.000 1.061 199 A CA -0.903 51.227 52.037 0.155 0.000 0.758 199 A CB -0.283 18.777 19.000 0.100 0.000 0.991 199 A HN 0.691 nan 8.150 nan 0.000 0.502 200 P HA -0.108 nan 4.420 nan 0.000 0.218 200 P C 0.792 177.950 177.300 -0.237 0.000 1.149 200 P CA 1.240 64.235 63.100 -0.176 0.000 0.817 200 P CB 0.233 31.633 31.700 -0.501 0.000 0.785 201 E N -0.876 119.230 120.200 -0.157 0.000 2.204 201 E HA -0.124 4.226 4.350 0.000 0.000 0.194 201 E C 2.080 178.582 176.600 -0.163 0.000 0.989 201 E CA 0.645 56.947 56.400 -0.164 0.000 0.824 201 E CB -0.543 29.082 29.700 -0.124 0.000 0.756 201 E HN 0.127 nan 8.360 nan 0.000 0.477 202 R N 0.055 120.471 120.500 -0.140 0.000 2.115 202 R HA -0.066 4.274 4.340 0.000 0.000 0.230 202 R C 1.729 177.841 176.300 -0.315 0.000 1.111 202 R CA 0.803 56.727 56.100 -0.293 0.000 0.976 202 R CB -0.079 30.009 30.300 -0.353 0.000 0.870 202 R HN 0.057 nan 8.270 nan 0.000 0.445 203 V N 1.477 121.323 119.914 -0.113 0.000 2.427 203 V HA -0.247 3.873 4.120 0.000 0.000 0.248 203 V C 2.233 178.234 176.094 -0.155 0.000 1.051 203 V CA 2.082 64.290 62.300 -0.154 0.000 1.048 203 V CB -0.819 30.841 31.823 -0.270 0.000 0.666 203 V HN 0.553 nan 8.190 nan 0.000 0.456 204 N N 0.160 118.754 118.700 -0.177 0.000 2.069 204 N HA -0.185 4.555 4.740 0.000 0.000 0.191 204 N C 1.950 177.445 175.510 -0.024 0.000 1.031 204 N CA 1.878 54.854 53.050 -0.124 0.000 0.852 204 N CB 0.029 38.417 38.487 -0.165 0.000 1.018 204 N HN 0.457 nan 8.380 nan 0.000 0.423 205 S N 0.246 115.922 115.700 -0.040 0.000 2.356 205 S HA -0.110 4.360 4.470 0.000 0.000 0.223 205 S C 1.575 176.310 174.600 0.225 0.000 1.032 205 S CA 0.838 59.063 58.200 0.041 0.000 1.005 205 S CB -0.429 62.736 63.200 -0.058 0.000 0.867 205 S HN 0.482 nan 8.310 nan 0.000 0.449 206 W N 1.677 123.129 121.300 0.254 0.000 2.318 206 W HA -0.059 4.601 4.660 0.000 0.000 0.313 206 W C 2.339 178.986 176.519 0.212 0.000 1.221 206 W CA 0.880 58.371 57.345 0.244 0.000 1.266 206 W CB -0.970 28.667 29.460 0.296 0.000 1.150 206 W HN 0.318 nan 8.180 nan 0.000 0.496 207 M N -0.391 119.431 119.600 0.370 0.000 2.117 207 M HA -0.130 4.350 4.480 0.000 0.000 0.262 207 M C 1.862 178.304 176.300 0.236 0.000 1.065 207 M CA 1.736 57.212 55.300 0.294 0.000 1.114 207 M CB -2.022 30.708 32.600 0.217 0.000 1.361 207 M HN -0.118 nan 8.290 nan 0.000 0.408 208 T N 0.996 115.661 114.554 0.184 0.000 2.684 208 T HA -0.156 4.194 4.350 0.000 0.000 0.267 208 T C 1.395 176.201 174.700 0.176 0.000 1.036 208 T CA 1.704 63.890 62.100 0.144 0.000 1.148 208 T CB -0.281 68.644 68.868 0.096 0.000 0.863 208 T HN 0.301 nan 8.240 nan 0.000 0.436 209 D N 0.663 121.202 120.400 0.232 0.000 2.149 209 D HA 0.015 4.655 4.640 0.000 0.000 0.201 209 D C 2.221 178.661 176.300 0.234 0.000 0.972 209 D CA 1.052 55.195 54.000 0.238 0.000 0.835 209 D CB -0.112 40.871 40.800 0.305 0.000 0.966 209 D HN 0.349 nan 8.370 nan 0.000 0.476 210 S N -1.005 114.864 115.700 0.281 0.000 2.539 210 S HA 0.416 4.886 4.470 0.000 0.000 0.226 210 S C 1.019 175.791 174.600 0.287 0.000 1.054 210 S CA 0.095 58.462 58.200 0.280 0.000 0.910 210 S CB 1.658 65.066 63.200 0.346 0.000 0.818 210 S HN 0.265 nan 8.310 nan 0.000 0.490 211 A N 1.179 124.180 122.820 0.301 0.000 3.455 211 A HA 0.441 4.761 4.320 0.000 0.000 0.225 211 A C 0.305 178.025 177.584 0.227 0.000 1.052 211 A CA -0.359 51.843 52.037 0.275 0.000 1.005 211 A CB -0.064 19.177 19.000 0.402 0.000 1.318 211 A HN 0.071 nan 8.150 nan 0.000 0.639 212 D N 0.946 121.456 120.400 0.184 0.000 2.149 212 D HA -0.176 4.464 4.640 0.000 0.000 0.194 212 D C 1.211 177.595 176.300 0.140 0.000 1.001 212 D CA 2.057 56.145 54.000 0.147 0.000 0.849 212 D CB 0.234 41.105 40.800 0.117 0.000 0.939 212 D HN 0.505 nan 8.370 nan 0.000 0.449 213 N N -0.257 118.533 118.700 0.150 0.000 2.270 213 N HA 0.077 4.817 4.740 0.000 0.000 0.198 213 N C -0.151 175.506 175.510 0.244 0.000 1.117 213 N CA -0.023 53.131 53.050 0.173 0.000 0.845 213 N CB 0.708 39.284 38.487 0.149 0.000 0.980 213 N HN 0.050 nan 8.380 nan 0.000 0.486 214 S N 0.284 116.103 115.700 0.200 0.000 2.652 214 S HA 0.282 4.752 4.470 0.000 0.000 0.267 214 S C -0.123 174.610 174.600 0.222 0.000 1.201 214 S CA -0.509 57.785 58.200 0.157 0.000 0.996 214 S CB 0.906 64.141 63.200 0.058 0.000 1.054 214 S HN 0.174 nan 8.310 nan 0.000 0.561 215 F N 1.183 121.122 119.950 -0.018 0.000 2.377 215 F HA 0.557 5.084 4.527 0.000 0.000 0.328 215 F C 0.067 175.904 175.800 0.061 0.000 1.094 215 F CA -0.689 57.333 58.000 0.037 0.000 1.093 215 F CB 0.520 39.482 39.000 -0.064 0.000 1.214 215 F HN 0.721 nan 8.300 nan 0.000 0.518 216 c N 4.220 122.491 118.600 -0.548 0.000 3.086 216 c HA 0.870 5.440 4.570 0.000 0.000 0.311 216 c C -1.076 172.756 174.090 -0.430 0.000 1.260 216 c CA -1.231 55.006 56.329 -0.152 0.000 1.426 216 c CB 0.783 43.412 42.510 0.199 0.000 1.826 216 c HN 0.911 nan 8.230 nan 0.000 0.474 217 V N 1.156 121.032 119.914 -0.062 0.000 2.851 217 V HA 0.882 5.002 4.120 0.000 0.000 0.307 217 V C -0.034 176.078 176.094 0.030 0.000 1.129 217 V CA 0.698 62.894 62.300 -0.173 0.000 0.932 217 V CB 2.017 33.587 31.823 -0.422 0.000 1.024 217 V HN 1.686 nan 8.190 nan 0.000 0.426 218 G N 3.650 112.445 108.800 -0.008 0.000 2.415 218 G HA2 0.559 4.519 3.960 0.000 0.000 0.327 218 G HA3 0.559 4.519 3.960 0.000 0.000 0.327 218 G C -0.897 173.909 174.900 -0.156 0.000 1.182 218 G CA -0.584 44.419 45.100 -0.162 0.000 0.924 218 G HN 0.907 nan 8.290 nan 0.000 0.470 219 Q N 1.711 121.544 119.800 0.055 0.000 2.456 219 Q HA 0.454 4.794 4.340 0.000 0.000 0.234 219 Q C -1.084 174.849 176.000 -0.113 0.000 1.061 219 Q CA -0.648 55.289 55.803 0.224 0.000 0.896 219 Q CB 0.890 29.809 28.738 0.302 0.000 1.233 219 Q HN 0.380 nan 8.270 nan 0.000 0.506 220 L N 5.752 126.844 121.223 -0.219 0.000 2.277 220 L HA 0.495 4.835 4.340 0.000 0.000 0.284 220 L C -1.919 174.802 176.870 -0.249 0.000 1.028 220 L CA -0.278 54.364 54.840 -0.331 0.000 0.835 220 L CB 0.855 42.654 42.059 -0.433 0.000 1.215 220 L HN 0.747 nan 8.230 nan 0.000 0.425 221 W N 7.621 128.592 121.300 -0.549 0.000 2.443 221 W HA 0.543 5.203 4.660 0.000 0.000 0.303 221 W C -1.174 175.085 176.519 -0.433 0.000 0.991 221 W CA -1.253 55.687 57.345 -0.674 0.000 1.522 221 W CB 0.548 29.505 29.460 -0.838 0.000 1.315 221 W HN 0.620 nan 8.180 nan 0.000 0.419 222 K N 3.734 124.091 120.400 -0.071 0.000 2.616 222 K HA 0.494 4.814 4.320 0.000 0.000 0.255 222 K C 0.069 176.390 176.600 -0.466 0.000 0.995 222 K CA -0.459 55.627 56.287 -0.336 0.000 0.860 222 K CB 0.934 33.172 32.500 -0.435 0.000 1.264 222 K HN 0.482 nan 8.250 nan 0.000 0.451 223 G N 3.316 111.753 108.800 -0.606 0.000 2.537 223 G HA2 0.253 4.213 3.960 0.000 0.000 0.273 223 G HA3 0.253 4.213 3.960 0.000 0.000 0.273 223 G C -1.901 172.703 174.900 -0.493 0.000 1.189 223 G CA -1.501 42.977 45.100 -1.036 0.000 0.881 223 G HN 0.392 nan 8.290 nan 0.000 0.535 224 P HA -0.189 nan 4.420 nan 0.000 0.217 224 P C 2.155 179.419 177.300 -0.061 0.000 1.151 224 P CA 2.151 65.135 63.100 -0.193 0.000 0.849 224 P CB 0.149 31.734 31.700 -0.192 0.000 0.787 225 S N -1.390 114.248 115.700 -0.104 0.000 2.603 225 S HA -0.059 4.411 4.470 0.000 0.000 0.229 225 S C 1.560 176.070 174.600 -0.150 0.000 0.972 225 S CA 0.693 58.838 58.200 -0.091 0.000 0.935 225 S CB -0.880 62.289 63.200 -0.052 0.000 0.769 225 S HN 0.251 nan 8.310 nan 0.000 0.536 226 E N -0.469 119.589 120.200 -0.238 0.000 2.447 226 E HA 0.161 4.511 4.350 0.000 0.000 0.195 226 E C -0.710 175.609 176.600 -0.468 0.000 1.028 226 E CA -0.027 56.139 56.400 -0.390 0.000 0.876 226 E CB 0.213 29.587 29.700 -0.543 0.000 0.885 226 E HN 0.641 nan 8.360 nan 0.000 0.500 227 Y N 0.782 120.915 120.300 -0.279 0.000 2.376 227 Y HA 0.249 4.799 4.550 0.000 0.000 0.325 227 Y C -2.064 173.630 175.900 -0.343 0.000 1.199 227 Y CA -3.048 54.869 58.100 -0.305 0.000 1.206 227 Y CB 0.357 38.596 38.460 -0.369 0.000 1.229 227 Y HN -0.110 nan 8.280 nan 0.000 0.480 228 P HA -0.052 nan 4.420 nan 0.000 0.268 228 P C 0.596 177.497 177.300 -0.666 0.000 1.208 228 P CA 0.063 62.766 63.100 -0.662 0.000 0.777 228 P CB 0.680 31.530 31.700 -1.417 0.000 0.875 229 N N 1.583 119.970 118.700 -0.521 0.000 2.132 229 N HA -0.156 4.584 4.740 0.000 0.000 0.191 229 N C 1.105 176.523 175.510 -0.153 0.000 1.015 229 N CA 1.458 54.359 53.050 -0.249 0.000 0.864 229 N CB -0.035 38.402 38.487 -0.083 0.000 1.006 229 N HN 0.627 nan 8.380 nan 0.000 0.430 230 W N 0.475 121.787 121.300 0.020 0.000 3.197 230 W HA 0.285 4.945 4.660 0.000 0.000 0.274 230 W C 0.264 176.807 176.519 0.041 0.000 1.297 230 W CA -0.569 56.791 57.345 0.026 0.000 1.662 230 W CB -0.651 28.816 29.460 0.012 0.000 1.106 230 W HN -0.163 nan 8.180 nan 0.000 0.663 231 D N 2.413 122.711 120.400 -0.170 0.000 2.350 231 D HA -0.085 4.555 4.640 0.000 0.000 0.249 231 D C 1.638 177.908 176.300 -0.049 0.000 1.119 231 D CA -0.307 53.633 54.000 -0.101 0.000 0.886 231 D CB 0.876 41.447 40.800 -0.381 0.000 1.195 231 D HN 0.232 nan 8.370 nan 0.000 0.437 232 W N 5.178 126.462 121.300 -0.027 0.000 2.350 232 W HA -0.156 4.504 4.660 0.000 0.000 0.289 232 W C 1.077 177.517 176.519 -0.131 0.000 1.215 232 W CA 0.113 57.428 57.345 -0.050 0.000 1.236 232 W CB -0.548 28.897 29.460 -0.024 0.000 1.130 232 W HN 0.399 nan 8.180 nan 0.000 0.541 233 R N 0.904 120.796 120.500 -1.013 0.000 2.189 233 R HA -0.112 4.228 4.340 0.000 0.000 0.218 233 R C 2.191 178.118 176.300 -0.621 0.000 1.074 233 R CA 1.135 56.505 56.100 -1.217 0.000 0.991 233 R CB -0.703 28.367 30.300 -2.051 0.000 0.883 233 R HN 0.252 nan 8.270 nan 0.000 0.457 234 N N 0.883 119.363 118.700 -0.366 0.000 2.364 234 N HA -0.125 4.615 4.740 0.000 0.000 0.183 234 N C 0.518 175.964 175.510 -0.107 0.000 1.022 234 N CA 1.687 54.631 53.050 -0.177 0.000 0.883 234 N CB 0.253 38.651 38.487 -0.148 0.000 0.965 234 N HN 0.246 nan 8.380 nan 0.000 0.438 235 T N -2.885 111.623 114.554 -0.076 0.000 3.288 235 T HA 0.606 4.956 4.350 0.000 0.000 0.293 235 T C 0.094 174.813 174.700 0.031 0.000 1.008 235 T CA -0.625 61.474 62.100 -0.003 0.000 0.929 235 T CB 0.523 69.411 68.868 0.033 0.000 1.152 235 T HN 0.228 nan 8.240 nan 0.000 0.517 236 A N 1.703 124.509 122.820 -0.023 0.000 2.256 236 A HA 0.841 5.161 4.320 0.000 0.000 0.318 236 A C 0.631 178.245 177.584 0.049 0.000 1.103 236 A CA -0.505 51.567 52.037 0.059 0.000 0.860 236 A CB 0.883 19.875 19.000 -0.013 0.000 1.182 236 A HN 0.677 nan 8.150 nan 0.000 0.501 237 S N -0.956 114.830 115.700 0.145 0.000 2.645 237 S HA 0.246 4.716 4.470 0.000 0.000 0.266 237 S C 0.396 175.149 174.600 0.256 0.000 1.258 237 S CA -0.219 58.113 58.200 0.220 0.000 0.990 237 S CB 0.130 63.469 63.200 0.232 0.000 0.967 237 S HN 0.664 nan 8.310 nan 0.000 0.556 238 W N 0.765 122.156 121.300 0.152 0.000 2.363 238 W HA -0.017 4.643 4.660 0.000 0.000 0.296 238 W C 2.806 179.458 176.519 0.222 0.000 1.212 238 W CA 1.087 58.544 57.345 0.186 0.000 1.260 238 W CB -0.752 28.837 29.460 0.214 0.000 1.131 238 W HN 0.772 nan 8.180 nan 0.000 0.530 239 Q N 0.024 120.105 119.800 0.468 0.000 2.061 239 Q HA -0.282 4.058 4.340 0.000 0.000 0.204 239 Q C 2.171 178.455 176.000 0.473 0.000 0.984 239 Q CA 1.894 57.975 55.803 0.464 0.000 0.846 239 Q CB -0.585 28.447 28.738 0.491 0.000 0.902 239 Q HN 0.472 nan 8.270 nan 0.000 0.421 240 Q N 0.244 120.333 119.800 0.481 0.000 2.030 240 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 240 Q C 2.171 178.371 176.000 0.334 0.000 0.986 240 Q CA 1.376 57.472 55.803 0.489 0.000 0.843 240 Q CB -0.217 28.829 28.738 0.515 0.000 0.904 240 Q HN 0.418 nan 8.270 nan 0.000 0.420 241 I N 0.837 121.500 120.570 0.156 0.000 2.163 241 I HA -0.297 3.873 4.170 0.000 0.000 0.243 241 I C 2.432 178.629 176.117 0.135 0.000 1.085 241 I CA 1.321 62.611 61.300 -0.017 0.000 1.347 241 I CB -0.450 37.449 38.000 -0.169 0.000 1.044 241 I HN 0.318 nan 8.210 nan 0.000 0.408 242 I N -0.970 119.725 120.570 0.208 0.000 2.500 242 I HA -0.161 4.009 4.170 0.000 0.000 0.252 242 I C 2.489 178.741 176.117 0.226 0.000 1.142 242 I CA 1.235 62.686 61.300 0.252 0.000 1.451 242 I CB -0.417 37.763 38.000 0.301 0.000 1.093 242 I HN 0.021 nan 8.210 nan 0.000 0.430 243 K N 1.970 122.439 120.400 0.115 0.000 2.057 243 K HA -0.259 4.061 4.320 0.000 0.000 0.207 243 K C 1.732 178.284 176.600 -0.081 0.000 1.049 243 K CA 2.218 58.428 56.287 -0.128 0.000 0.931 243 K CB -0.537 31.587 32.500 -0.627 0.000 0.714 243 K HN 0.503 nan 8.250 nan 0.000 0.440 244 D N -0.898 119.534 120.400 0.054 0.000 2.104 244 D HA -0.217 4.423 4.640 0.000 0.000 0.194 244 D C 1.705 178.060 176.300 0.092 0.000 0.994 244 D CA 1.614 55.683 54.000 0.115 0.000 0.830 244 D CB -0.299 40.703 40.800 0.337 0.000 0.959 244 D HN 0.455 nan 8.370 nan 0.000 0.452 245 W N 0.663 121.966 121.300 0.005 0.000 2.355 245 W HA -0.160 4.500 4.660 0.000 0.000 0.309 245 W C 2.699 179.194 176.519 -0.039 0.000 1.206 245 W CA 2.166 59.505 57.345 -0.010 0.000 1.284 245 W CB -0.798 28.663 29.460 0.001 0.000 1.145 245 W HN -0.010 nan 8.180 nan 0.000 0.502 246 S N 0.018 115.800 115.700 0.136 0.000 2.419 246 S HA -0.203 4.267 4.470 0.000 0.000 0.233 246 S C 1.466 175.913 174.600 -0.256 0.000 1.016 246 S CA 1.939 60.096 58.200 -0.071 0.000 0.974 246 S CB -0.617 62.646 63.200 0.105 0.000 0.786 246 S HN 0.273 nan 8.310 nan 0.000 0.492 247 D N 0.894 121.161 120.400 -0.223 0.000 2.183 247 D HA 0.020 4.660 4.640 0.000 0.000 0.203 247 D C 2.260 178.410 176.300 -0.250 0.000 0.969 247 D CA 0.822 54.692 54.000 -0.218 0.000 0.842 247 D CB -0.157 40.537 40.800 -0.177 0.000 0.957 247 D HN 0.496 nan 8.370 nan 0.000 0.484 248 R N 0.265 120.570 120.500 -0.326 0.000 2.112 248 R HA 0.215 4.555 4.340 0.000 0.000 0.216 248 R C 1.980 178.005 176.300 -0.459 0.000 1.080 248 R CA 0.827 56.722 56.100 -0.342 0.000 0.996 248 R CB 0.069 30.198 30.300 -0.285 0.000 0.902 248 R HN 0.036 nan 8.270 nan 0.000 0.449 249 A N 0.854 123.222 122.820 -0.754 0.000 2.081 249 A HA 0.038 4.358 4.320 0.000 0.000 0.214 249 A C 0.317 177.633 177.584 -0.447 0.000 1.158 249 A CA 0.208 51.809 52.037 -0.726 0.000 0.724 249 A CB 0.328 18.515 19.000 -1.355 0.000 0.826 249 A HN 0.046 nan 8.150 nan 0.000 0.463 250 K N -1.595 118.573 120.400 -0.387 0.000 3.167 250 K HA -0.141 4.179 4.320 0.000 0.000 0.272 250 K C -0.837 175.645 176.600 -0.197 0.000 1.137 250 K CA 0.752 56.894 56.287 -0.241 0.000 0.800 250 K CB -3.070 29.329 32.500 -0.169 0.000 1.253 250 K HN 0.498 nan 8.250 nan 0.000 0.497 251 c N -0.169 118.303 118.600 -0.213 0.000 2.698 251 c HA 0.469 5.039 4.570 0.000 0.000 0.309 251 c C -2.075 172.025 174.090 0.018 0.000 1.186 251 c CA -1.613 54.661 56.329 -0.092 0.000 1.474 251 c CB 1.963 44.500 42.510 0.045 0.000 2.020 251 c HN 0.145 nan 8.230 nan 0.000 0.474 252 P HA 0.184 nan 4.420 nan 0.000 0.269 252 P C -0.891 176.463 177.300 0.090 0.000 1.211 252 P CA 0.133 63.231 63.100 -0.002 0.000 0.781 252 P CB 0.492 32.132 31.700 -0.101 0.000 0.877 253 V N 2.828 122.807 119.914 0.109 0.000 2.925 253 V HA 0.430 4.551 4.120 0.000 0.000 0.311 253 V C -0.969 175.195 176.094 0.117 0.000 1.104 253 V CA -0.935 61.431 62.300 0.110 0.000 0.954 253 V CB 1.204 33.190 31.823 0.272 0.000 1.022 253 V HN 0.220 nan 8.190 nan 0.000 0.427 254 F N 3.340 123.410 119.950 0.201 0.000 2.578 254 F HA 0.190 4.717 4.527 0.000 0.000 0.376 254 F C 1.062 177.101 175.800 0.399 0.000 1.085 254 F CA 0.178 58.349 58.000 0.286 0.000 1.260 254 F CB 0.313 39.465 39.000 0.253 0.000 1.095 254 F HN 0.500 nan 8.300 nan 0.000 0.573 255 D N 4.122 124.839 120.400 0.528 0.000 2.498 255 D HA -0.009 4.631 4.640 0.000 0.000 0.229 255 D C 0.796 177.200 176.300 0.173 0.000 1.188 255 D CA 0.320 54.515 54.000 0.325 0.000 1.028 255 D CB -0.456 40.463 40.800 0.198 0.000 1.087 255 D HN 0.365 nan 8.370 nan 0.000 0.510 256 F N 1.191 121.315 119.950 0.290 0.000 2.558 256 F HA 0.050 4.577 4.527 0.000 0.000 0.298 256 F C 2.309 178.132 175.800 0.038 0.000 1.119 256 F CA 0.388 58.507 58.000 0.198 0.000 1.451 256 F CB 0.166 39.388 39.000 0.370 0.000 1.091 256 F HN 0.416 nan 8.300 nan 0.000 0.563 257 A N -0.192 122.790 122.820 0.269 0.000 1.873 257 A HA -0.142 4.178 4.320 0.000 0.000 0.215 257 A C 2.065 179.589 177.584 -0.100 0.000 1.186 257 A CA 1.362 53.488 52.037 0.148 0.000 0.616 257 A CB -0.917 18.254 19.000 0.285 0.000 0.823 257 A HN 0.319 nan 8.150 nan 0.000 0.442 258 L N -0.189 120.958 121.223 -0.127 0.000 2.027 258 L HA -0.095 4.245 4.340 0.000 0.000 0.206 258 L C 2.261 178.790 176.870 -0.568 0.000 1.074 258 L CA 2.697 57.369 54.840 -0.280 0.000 0.745 258 L CB -0.564 41.366 42.059 -0.216 0.000 0.898 258 L HN 0.318 nan 8.230 nan 0.000 0.433 259 K N -0.046 119.928 120.400 -0.710 0.000 2.063 259 K HA -0.225 4.095 4.320 0.000 0.000 0.208 259 K C 2.176 178.158 176.600 -1.031 0.000 1.048 259 K CA 1.669 57.346 56.287 -1.016 0.000 0.928 259 K CB -0.468 31.288 32.500 -1.240 0.000 0.713 259 K HN 0.442 nan 8.250 nan 0.000 0.442 260 E N 0.324 120.040 120.200 -0.806 0.000 2.077 260 E HA -0.184 4.166 4.350 0.000 0.000 0.193 260 E C 1.816 178.096 176.600 -0.533 0.000 0.989 260 E CA 1.001 56.944 56.400 -0.762 0.000 0.800 260 E CB 0.067 29.203 29.700 -0.939 0.000 0.746 260 E HN 0.180 nan 8.360 nan 0.000 0.452 261 R N -0.196 120.053 120.500 -0.419 0.000 2.092 261 R HA 0.008 4.348 4.340 0.000 0.000 0.231 261 R C 2.433 178.594 176.300 -0.231 0.000 1.119 261 R CA 0.827 56.796 56.100 -0.219 0.000 0.970 261 R CB -0.566 29.680 30.300 -0.091 0.000 0.864 261 R HN 0.335 nan 8.270 nan 0.000 0.440 262 M N 0.433 119.694 119.600 -0.566 0.000 2.175 262 M HA -0.159 4.321 4.480 0.000 0.000 0.264 262 M C 1.984 178.057 176.300 -0.379 0.000 1.063 262 M CA 1.500 56.419 55.300 -0.636 0.000 1.119 262 M CB -0.050 31.943 32.600 -1.012 0.000 1.377 262 M HN -0.028 nan 8.290 nan 0.000 0.415 263 Q N -0.087 119.386 119.800 -0.545 0.000 2.123 263 Q HA 0.002 4.343 4.340 0.000 0.000 0.196 263 Q C 0.991 176.878 176.000 -0.189 0.000 0.958 263 Q CA 1.383 56.898 55.803 -0.480 0.000 0.841 263 Q CB -0.301 27.859 28.738 -0.965 0.000 0.915 263 Q HN 0.659 nan 8.270 nan 0.000 0.455 264 N N -0.585 118.031 118.700 -0.140 0.000 2.227 264 N HA 0.174 4.914 4.740 0.000 0.000 0.196 264 N C 0.584 176.090 175.510 -0.006 0.000 1.142 264 N CA 0.185 53.223 53.050 -0.020 0.000 0.887 264 N CB 0.962 39.472 38.487 0.038 0.000 1.022 264 N HN 0.039 nan 8.380 nan 0.000 0.500 265 G N 0.223 109.019 108.800 -0.005 0.000 2.753 265 G HA2 0.480 4.440 3.960 0.000 0.000 0.285 265 G HA3 0.480 4.440 3.960 0.000 0.000 0.285 265 G C -0.311 174.613 174.900 0.041 0.000 1.344 265 G CA -0.440 44.677 45.100 0.029 0.000 1.050 265 G HN 0.139 nan 8.290 nan 0.000 0.532 266 S N -1.413 114.283 115.700 -0.007 0.000 2.713 266 S HA 0.338 4.808 4.470 0.000 0.000 0.283 266 S C 1.455 175.886 174.600 -0.281 0.000 1.161 266 S CA -0.571 57.574 58.200 -0.093 0.000 0.999 266 S CB 1.584 64.722 63.200 -0.104 0.000 1.039 266 S HN 0.570 nan 8.310 nan 0.000 0.548 267 I N 0.668 120.916 120.570 -0.537 0.000 2.335 267 I HA -0.172 3.998 4.170 0.000 0.000 0.251 267 I C 2.404 177.909 176.117 -1.020 0.000 1.129 267 I CA 1.696 62.219 61.300 -1.295 0.000 1.402 267 I CB -0.620 36.743 38.000 -1.062 0.000 1.069 267 I HN 0.865 nan 8.210 nan 0.000 0.424 268 A N -0.265 122.249 122.820 -0.510 0.000 2.067 268 A HA -0.200 4.120 4.320 0.000 0.000 0.219 268 A C 1.790 179.180 177.584 -0.322 0.000 1.158 268 A CA 1.694 53.523 52.037 -0.347 0.000 0.661 268 A CB -0.508 18.375 19.000 -0.194 0.000 0.801 268 A HN 0.473 nan 8.150 nan 0.000 0.452 269 D N -1.177 119.083 120.400 -0.234 0.000 2.363 269 D HA -0.089 4.551 4.640 0.000 0.000 0.226 269 D C 0.845 177.128 176.300 -0.028 0.000 1.020 269 D CA 0.318 54.284 54.000 -0.057 0.000 0.892 269 D CB -0.207 40.636 40.800 0.073 0.000 0.900 269 D HN 0.690 nan 8.370 nan 0.000 0.531 270 W N 1.932 123.001 121.300 -0.384 0.000 2.699 270 W HA -0.033 4.627 4.660 0.000 0.000 0.249 270 W C 1.951 178.147 176.519 -0.537 0.000 1.280 270 W CA 0.056 57.124 57.345 -0.461 0.000 1.345 270 W CB -0.590 28.486 29.460 -0.640 0.000 1.128 270 W HN 0.195 nan 8.180 nan 0.000 0.642 271 K N -0.325 119.717 120.400 -0.597 0.000 2.555 271 K HA -0.102 4.218 4.320 0.000 0.000 0.193 271 K C 0.573 176.744 176.600 -0.714 0.000 1.032 271 K CA 1.254 56.861 56.287 -1.134 0.000 1.004 271 K CB -0.738 30.504 32.500 -2.096 0.000 0.804 271 K HN 0.199 nan 8.250 nan 0.000 0.496 272 H N 0.367 119.327 119.070 -0.184 0.000 2.519 272 H HA 0.220 4.776 4.556 0.000 0.000 0.289 272 H C 0.705 176.042 175.328 0.014 0.000 1.040 272 H CA -0.480 55.528 56.048 -0.066 0.000 1.165 272 H CB 0.719 30.451 29.762 -0.050 0.000 1.462 272 H HN 0.363 nan 8.280 nan 0.000 0.555 273 G N -0.057 108.807 108.800 0.106 0.000 2.547 273 G HA2 0.154 4.114 3.960 0.000 0.000 0.291 273 G HA3 0.154 4.114 3.960 0.000 0.000 0.291 273 G C 0.799 175.824 174.900 0.210 0.000 1.211 273 G CA -0.546 44.630 45.100 0.127 0.000 0.950 273 G HN 0.261 nan 8.290 nan 0.000 0.504 274 L N 0.662 122.030 121.223 0.243 0.000 2.131 274 L HA -0.109 4.231 4.340 0.000 0.000 0.210 274 L C 2.599 179.644 176.870 0.292 0.000 1.092 274 L CA 2.153 57.179 54.840 0.310 0.000 0.759 274 L CB -0.507 41.746 42.059 0.323 0.000 0.903 274 L HN 0.739 nan 8.230 nan 0.000 0.435 275 N N -0.544 118.306 118.700 0.250 0.000 2.453 275 N HA -0.102 4.638 4.740 0.000 0.000 0.183 275 N C 1.524 177.203 175.510 0.281 0.000 1.041 275 N CA 1.347 54.540 53.050 0.239 0.000 0.900 275 N CB -0.605 37.992 38.487 0.182 0.000 0.961 275 N HN 0.409 nan 8.380 nan 0.000 0.443 276 G N -0.176 108.819 108.800 0.325 0.000 3.088 276 G HA2 -0.020 3.940 3.960 0.000 0.000 0.217 276 G HA3 -0.020 3.940 3.960 0.000 0.000 0.217 276 G C 0.255 175.354 174.900 0.330 0.000 1.159 276 G CA -0.556 44.802 45.100 0.430 0.000 0.760 276 G HN 0.429 nan 8.290 nan 0.000 0.550 277 N N 1.309 120.161 118.700 0.253 0.000 2.454 277 N HA 0.136 4.876 4.740 0.000 0.000 0.260 277 N C -0.838 174.764 175.510 0.153 0.000 1.218 277 N CA -1.079 52.077 53.050 0.177 0.000 0.904 277 N CB 1.697 40.316 38.487 0.218 0.000 1.065 277 N HN -0.113 nan 8.380 nan 0.000 0.462 278 P HA -0.103 nan 4.420 nan 0.000 0.225 278 P C -0.456 176.881 177.300 0.062 0.000 1.148 278 P CA 0.964 64.106 63.100 0.071 0.000 0.779 278 P CB 0.124 31.847 31.700 0.039 0.000 0.780 279 D N 0.734 121.164 120.400 0.050 0.000 2.313 279 D HA 0.088 4.728 4.640 0.000 0.000 0.239 279 D C -1.314 175.117 176.300 0.219 0.000 1.142 279 D CA -2.496 51.572 54.000 0.113 0.000 0.847 279 D CB 1.422 42.257 40.800 0.059 0.000 1.082 279 D HN -0.013 nan 8.370 nan 0.000 0.480 280 P HA -0.141 nan 4.420 nan 0.000 0.219 280 P C 1.068 178.493 177.300 0.209 0.000 1.146 280 P CA 0.664 63.872 63.100 0.181 0.000 0.808 280 P CB 0.447 32.230 31.700 0.138 0.000 0.779 281 R N -1.455 119.182 120.500 0.229 0.000 2.189 281 R HA -0.091 4.249 4.340 0.000 0.000 0.223 281 R C 2.097 178.514 176.300 0.195 0.000 1.092 281 R CA 1.017 57.224 56.100 0.179 0.000 0.989 281 R CB -1.081 29.315 30.300 0.160 0.000 0.876 281 R HN 0.370 nan 8.270 nan 0.000 0.457 282 W N 0.934 122.283 121.300 0.082 0.000 2.539 282 W HA 0.161 4.821 4.660 0.000 0.000 0.299 282 W C 2.441 179.037 176.519 0.128 0.000 1.165 282 W CA 0.245 57.653 57.345 0.104 0.000 1.400 282 W CB -0.488 29.040 29.460 0.113 0.000 1.123 282 W HN -0.042 nan 8.180 nan 0.000 0.533 283 R N 0.804 121.527 120.500 0.371 0.000 2.080 283 R HA -0.195 4.145 4.340 0.000 0.000 0.236 283 R C 1.984 178.426 176.300 0.238 0.000 1.137 283 R CA 2.001 58.270 56.100 0.280 0.000 0.943 283 R CB -1.108 29.331 30.300 0.231 0.000 0.846 283 R HN 0.411 nan 8.270 nan 0.000 0.431 284 E N 1.345 121.685 120.200 0.233 0.000 2.331 284 E HA -0.122 4.228 4.350 0.000 0.000 0.199 284 E C 1.605 178.376 176.600 0.285 0.000 1.008 284 E CA 1.494 58.060 56.400 0.277 0.000 0.843 284 E CB -0.089 29.801 29.700 0.318 0.000 0.761 284 E HN 0.371 nan 8.360 nan 0.000 0.507 285 V N -2.037 117.989 119.914 0.186 0.000 3.647 285 V HA 0.439 4.559 4.120 0.000 0.000 0.279 285 V C 0.954 177.148 176.094 0.166 0.000 1.314 285 V CA -0.009 62.374 62.300 0.137 0.000 1.125 285 V CB -0.085 31.758 31.823 0.033 0.000 0.907 285 V HN 0.317 nan 8.190 nan 0.000 0.434 286 A N 0.571 123.510 122.820 0.199 0.000 2.388 286 A HA 0.656 4.976 4.320 0.000 0.000 0.257 286 A C -0.177 177.531 177.584 0.206 0.000 1.095 286 A CA -0.117 52.045 52.037 0.210 0.000 0.791 286 A CB 0.811 19.942 19.000 0.219 0.000 1.029 286 A HN 0.651 nan 8.150 nan 0.000 0.489 287 V N 3.407 123.446 119.914 0.207 0.000 2.325 287 V HA 0.365 4.485 4.120 0.000 0.000 0.280 287 V C 0.518 176.832 176.094 0.368 0.000 1.016 287 V CA -0.139 62.290 62.300 0.214 0.000 0.818 287 V CB 1.017 32.839 31.823 -0.001 0.000 1.019 287 V HN 1.086 nan 8.190 nan 0.000 0.434 288 T N 2.391 117.128 114.554 0.305 0.000 2.913 288 T HA 0.838 5.188 4.350 0.000 0.000 0.287 288 T C -0.641 174.284 174.700 0.376 0.000 1.008 288 T CA -0.395 61.860 62.100 0.258 0.000 1.067 288 T CB 1.509 70.427 68.868 0.084 0.000 0.996 288 T HN 0.729 nan 8.240 nan 0.000 0.513 289 F N 0.387 120.331 119.950 -0.010 0.000 2.693 289 F HA 0.654 5.181 4.527 0.000 0.000 0.309 289 F C 0.287 175.925 175.800 -0.269 0.000 1.129 289 F CA -1.075 56.893 58.000 -0.052 0.000 0.948 289 F CB 0.920 39.924 39.000 0.006 0.000 1.315 289 F HN 0.436 nan 8.300 nan 0.000 0.447 290 V N -0.987 118.754 119.914 -0.288 0.000 2.581 290 V HA 0.416 4.536 4.120 0.000 0.000 0.240 290 V C -0.369 175.502 176.094 -0.371 0.000 1.054 290 V CA 1.532 63.496 62.300 -0.560 0.000 1.076 290 V CB 0.213 31.539 31.823 -0.827 0.000 0.748 290 V HN 0.814 nan 8.190 nan 0.000 0.474 291 D N -0.447 119.938 120.400 -0.024 0.000 2.623 291 D HA 0.381 5.021 4.640 0.000 0.000 0.241 291 D C -1.101 175.083 176.300 -0.194 0.000 1.241 291 D CA -0.030 53.932 54.000 -0.063 0.000 0.788 291 D CB 2.148 42.869 40.800 -0.131 0.000 1.413 291 D HN 0.739 nan 8.370 nan 0.000 0.429 292 N N -1.386 117.108 118.700 -0.343 0.000 3.343 292 N HA 0.187 4.927 4.740 0.000 0.000 0.330 292 N C 1.038 176.310 175.510 -0.398 0.000 1.560 292 N CA -0.549 52.256 53.050 -0.408 0.000 0.752 292 N CB 1.211 39.520 38.487 -0.297 0.000 1.863 292 N HN 0.365 nan 8.380 nan 0.000 0.636 293 H N -1.051 117.954 119.070 -0.107 0.000 2.518 293 H HA 0.021 4.577 4.556 0.000 0.000 0.289 293 H C -0.131 175.187 175.328 -0.017 0.000 1.051 293 H CA 1.122 57.243 56.048 0.121 0.000 1.280 293 H CB -0.196 29.765 29.762 0.332 0.000 1.380 293 H HN 0.520 nan 8.280 nan 0.000 0.566 294 D N 0.758 120.828 120.400 -0.550 0.000 2.369 294 D HA -0.077 4.563 4.640 0.000 0.000 0.231 294 D C 2.424 178.618 176.300 -0.177 0.000 0.967 294 D CA 2.301 56.093 54.000 -0.346 0.000 0.905 294 D CB -0.292 40.479 40.800 -0.049 0.000 1.044 294 D HN 0.554 nan 8.370 nan 0.000 0.487 295 T N -1.114 113.391 114.554 -0.082 0.000 2.812 295 T HA 0.083 4.434 4.350 0.000 0.000 0.264 295 T C 1.297 175.932 174.700 -0.109 0.000 1.042 295 T CA 0.955 63.072 62.100 0.029 0.000 1.140 295 T CB -0.411 68.496 68.868 0.065 0.000 0.870 295 T HN 0.049 nan 8.240 nan 0.000 0.445 296 G N -0.525 108.153 108.800 -0.203 0.000 2.557 296 G HA2 0.550 4.510 3.960 0.000 0.000 0.302 296 G HA3 0.550 4.510 3.960 0.000 0.000 0.302 296 G C -1.029 173.791 174.900 -0.134 0.000 1.311 296 G CA -1.076 43.897 45.100 -0.212 0.000 1.030 296 G HN 0.342 nan 8.290 nan 0.000 0.509 297 Y N -0.619 119.835 120.300 0.257 0.000 2.281 297 Y HA 0.484 5.034 4.550 0.000 0.000 0.337 297 Y C 1.010 177.289 175.900 0.632 0.000 1.304 297 Y CA 0.193 58.524 58.100 0.385 0.000 1.465 297 Y CB 1.197 39.782 38.460 0.208 0.000 1.350 297 Y HN 0.337 nan 8.280 nan 0.000 0.575 298 S N 0.954 117.085 115.700 0.718 0.000 2.541 298 S HA 0.441 4.911 4.470 0.000 0.000 0.271 298 S C -2.889 171.924 174.600 0.355 0.000 1.133 298 S CA -1.415 57.049 58.200 0.441 0.000 0.876 298 S CB 2.129 65.580 63.200 0.418 0.000 1.105 298 S HN 0.246 nan 8.310 nan 0.000 0.470 299 P HA 0.486 nan 4.420 nan 0.000 0.270 299 P C 0.666 178.032 177.300 0.109 0.000 1.223 299 P CA 0.750 63.921 63.100 0.117 0.000 0.785 299 P CB 0.254 31.910 31.700 -0.072 0.000 0.923 300 G N 0.301 109.192 108.800 0.151 0.000 2.512 300 G HA2 -0.151 3.809 3.960 0.000 0.000 0.210 300 G HA3 -0.151 3.809 3.960 0.000 0.000 0.210 300 G C -1.040 173.958 174.900 0.163 0.000 1.295 300 G CA -0.820 44.366 45.100 0.143 0.000 0.934 300 G HN 0.564 nan 8.290 nan 0.000 0.554 301 Q N 0.886 120.775 119.800 0.149 0.000 2.315 301 Q HA 0.279 4.619 4.340 0.000 0.000 0.289 301 Q C 1.126 177.249 176.000 0.206 0.000 1.044 301 Q CA 0.986 56.878 55.803 0.148 0.000 0.920 301 Q CB 0.020 28.822 28.738 0.106 0.000 1.214 301 Q HN 0.737 nan 8.270 nan 0.000 0.392 302 N N 0.867 119.685 118.700 0.197 0.000 2.857 302 N HA -0.287 4.453 4.740 0.000 0.000 0.242 302 N C 0.595 176.325 175.510 0.367 0.000 0.983 302 N CA 0.784 53.987 53.050 0.255 0.000 0.934 302 N CB -1.076 37.552 38.487 0.234 0.000 1.115 302 N HN 0.999 nan 8.380 nan 0.000 0.593 303 G N -1.066 107.939 108.800 0.343 0.000 2.137 303 G HA2 0.220 4.180 3.960 0.000 0.000 0.237 303 G HA3 0.220 4.180 3.960 0.000 0.000 0.237 303 G C 0.892 176.120 174.900 0.546 0.000 1.002 303 G CA 0.687 46.054 45.100 0.444 0.000 0.702 303 G HN 1.594 nan 8.290 nan 0.000 0.515 304 G N -1.073 107.971 108.800 0.407 0.000 2.542 304 G HA2 -0.127 3.833 3.960 0.000 0.000 0.235 304 G HA3 -0.127 3.833 3.960 0.000 0.000 0.235 304 G C 0.630 175.532 174.900 0.003 0.000 1.286 304 G CA 0.921 46.234 45.100 0.355 0.000 0.904 304 G HN 1.021 nan 8.290 nan 0.000 0.577 305 Q N 0.032 119.639 119.800 -0.323 0.000 2.163 305 Q HA 0.123 4.463 4.340 0.000 0.000 0.198 305 Q C 1.214 176.568 176.000 -1.076 0.000 0.954 305 Q CA 1.146 56.466 55.803 -0.804 0.000 0.851 305 Q CB -0.014 28.034 28.738 -1.149 0.000 0.928 305 Q HN 1.311 nan 8.270 nan 0.000 0.459 306 H N -1.513 117.309 119.070 -0.414 0.000 2.445 306 H HA -0.186 4.370 4.556 0.000 0.000 0.322 306 H C 0.081 175.287 175.328 -0.204 0.000 1.053 306 H CA 0.914 56.694 56.048 -0.447 0.000 1.109 306 H CB -2.227 27.103 29.762 -0.720 0.000 1.546 306 H HN 0.351 nan 8.280 nan 0.000 0.397 307 H N -1.771 117.280 119.070 -0.030 0.000 2.462 307 H HA -0.018 4.538 4.556 0.000 0.000 0.292 307 H C 0.473 175.969 175.328 0.280 0.000 1.049 307 H CA 1.598 57.703 56.048 0.095 0.000 1.334 307 H CB 0.147 30.000 29.762 0.152 0.000 1.404 307 H HN 0.726 nan 8.280 nan 0.000 0.544 308 W N 0.788 122.157 121.300 0.114 0.000 1.067 308 W HA 0.565 5.225 4.660 0.000 0.000 0.313 308 W C -0.776 175.698 176.519 -0.074 0.000 0.868 308 W CA -1.585 55.790 57.345 0.050 0.000 1.561 308 W CB -0.325 29.186 29.460 0.084 0.000 1.608 308 W HN -0.030 nan 8.180 nan 0.000 0.485 309 A N 1.930 124.774 122.820 0.039 0.000 2.425 309 A HA 0.456 4.776 4.320 0.000 0.000 0.249 309 A C -0.380 177.152 177.584 -0.086 0.000 1.084 309 A CA -0.342 51.636 52.037 -0.098 0.000 0.781 309 A CB 0.536 19.371 19.000 -0.275 0.000 1.019 309 A HN 0.464 nan 8.150 nan 0.000 0.490 310 L N 1.633 122.788 121.223 -0.113 0.000 2.416 310 L HA 0.101 4.441 4.340 0.000 0.000 0.272 310 L C 0.940 177.796 176.870 -0.023 0.000 1.161 310 L CA 0.340 55.096 54.840 -0.140 0.000 0.845 310 L CB 0.536 42.471 42.059 -0.206 0.000 1.119 310 L HN 0.803 nan 8.230 nan 0.000 0.464 311 Q N 2.808 122.587 119.800 -0.036 0.000 2.263 311 Q HA -0.129 4.212 4.340 0.000 0.000 0.289 311 Q C 0.529 176.529 176.000 0.001 0.000 1.061 311 Q CA 0.596 56.400 55.803 0.002 0.000 0.927 311 Q CB 0.757 29.494 28.738 -0.002 0.000 1.154 311 Q HN 0.883 nan 8.270 nan 0.000 0.378 312 D N 2.612 123.017 120.400 0.008 0.000 2.190 312 D HA -0.140 4.500 4.640 0.000 0.000 0.200 312 D C 1.337 177.636 176.300 -0.001 0.000 0.992 312 D CA 1.620 55.616 54.000 -0.006 0.000 0.854 312 D CB -0.038 40.737 40.800 -0.042 0.000 0.936 312 D HN 0.752 nan 8.370 nan 0.000 0.462 313 G N -0.840 107.958 108.800 -0.003 0.000 3.026 313 G HA2 0.079 4.039 3.960 0.000 0.000 0.208 313 G HA3 0.079 4.039 3.960 0.000 0.000 0.208 313 G C 1.055 175.959 174.900 0.006 0.000 1.169 313 G CA -0.076 45.024 45.100 -0.000 0.000 0.788 313 G HN 0.342 nan 8.290 nan 0.000 0.533 314 L N -0.234 120.994 121.223 0.010 0.000 2.858 314 L HA 0.369 4.710 4.340 0.000 0.000 0.251 314 L C 2.126 179.004 176.870 0.013 0.000 1.149 314 L CA -0.176 54.694 54.840 0.050 0.000 0.955 314 L CB 0.210 42.331 42.059 0.104 0.000 1.289 314 L HN 0.128 nan 8.230 nan 0.000 0.542 315 I N 0.307 120.838 120.570 -0.065 0.000 2.118 315 I HA -0.351 3.819 4.170 0.000 0.000 0.241 315 I C 2.553 178.639 176.117 -0.052 0.000 1.070 315 I CA 1.697 62.887 61.300 -0.183 0.000 1.327 315 I CB -0.142 37.637 38.000 -0.368 0.000 1.034 315 I HN 0.287 nan 8.210 nan 0.000 0.405 316 R N 0.173 120.669 120.500 -0.006 0.000 2.092 316 R HA -0.179 4.161 4.340 0.000 0.000 0.231 316 R C 2.323 178.805 176.300 0.305 0.000 1.119 316 R CA 1.209 57.359 56.100 0.084 0.000 0.970 316 R CB -0.259 29.813 30.300 -0.380 0.000 0.864 316 R HN 0.335 nan 8.270 nan 0.000 0.440 317 Q N 0.056 119.974 119.800 0.198 0.000 2.050 317 Q HA -0.079 4.261 4.340 0.000 0.000 0.202 317 Q C 2.140 178.388 176.000 0.413 0.000 0.980 317 Q CA 1.928 57.896 55.803 0.275 0.000 0.840 317 Q CB -0.323 28.535 28.738 0.199 0.000 0.898 317 Q HN 0.388 nan 8.270 nan 0.000 0.424 318 A N -0.481 122.517 122.820 0.296 0.000 1.908 318 A HA -0.216 4.104 4.320 0.000 0.000 0.218 318 A C 1.769 179.340 177.584 -0.021 0.000 1.181 318 A CA 1.487 53.525 52.037 0.002 0.000 0.627 318 A CB -0.876 17.905 19.000 -0.365 0.000 0.818 318 A HN 0.417 nan 8.150 nan 0.000 0.445 319 Y N -0.273 120.090 120.300 0.104 0.000 2.200 319 Y HA -0.015 4.535 4.550 0.000 0.000 0.290 319 Y C 2.921 178.884 175.900 0.106 0.000 1.137 319 Y CA 0.746 58.903 58.100 0.094 0.000 1.163 319 Y CB -0.603 37.931 38.460 0.123 0.000 0.988 319 Y HN 0.322 nan 8.280 nan 0.000 0.518 320 A N -0.964 122.072 122.820 0.360 0.000 1.933 320 A HA -0.248 4.072 4.320 0.000 0.000 0.218 320 A C 2.041 179.757 177.584 0.220 0.000 1.175 320 A CA 1.651 53.824 52.037 0.226 0.000 0.628 320 A CB -1.219 17.957 19.000 0.293 0.000 0.814 320 A HN 0.565 nan 8.150 nan 0.000 0.444 321 Y N 1.281 121.698 120.300 0.196 0.000 2.109 321 Y HA -0.183 4.367 4.550 0.000 0.000 0.285 321 Y C 2.166 178.136 175.900 0.116 0.000 1.131 321 Y CA 1.863 60.082 58.100 0.198 0.000 1.121 321 Y CB -0.447 38.230 38.460 0.362 0.000 0.987 321 Y HN 0.408 nan 8.280 nan 0.000 0.495 322 I N -2.218 118.307 120.570 -0.076 0.000 2.361 322 I HA -0.193 3.977 4.170 0.000 0.000 0.251 322 I C 1.683 177.741 176.117 -0.097 0.000 1.133 322 I CA 1.384 62.586 61.300 -0.164 0.000 1.413 322 I CB -0.649 37.312 38.000 -0.067 0.000 1.073 322 I HN 0.158 nan 8.210 nan 0.000 0.424 323 L N 1.660 122.875 121.223 -0.014 0.000 2.291 323 L HA -0.035 4.305 4.340 0.000 0.000 0.214 323 L C 2.498 179.334 176.870 -0.057 0.000 1.120 323 L CA 2.123 56.955 54.840 -0.014 0.000 0.799 323 L CB -1.189 40.874 42.059 0.006 0.000 0.925 323 L HN 0.616 nan 8.230 nan 0.000 0.446 324 T N -5.415 109.091 114.554 -0.080 0.000 3.023 324 T HA 0.179 4.530 4.350 0.000 0.000 0.253 324 T C 0.825 175.465 174.700 -0.100 0.000 1.038 324 T CA 0.302 62.362 62.100 -0.066 0.000 0.962 324 T CB -0.022 68.836 68.868 -0.017 0.000 1.018 324 T HN 0.246 nan 8.240 nan 0.000 0.521 325 S N 1.173 116.758 115.700 -0.191 0.000 2.739 325 S HA 0.778 5.249 4.470 0.000 0.000 0.306 325 S C -3.061 171.479 174.600 -0.099 0.000 1.115 325 S CA -1.678 56.400 58.200 -0.203 0.000 0.985 325 S CB 1.472 64.384 63.200 -0.479 0.000 1.133 325 S HN 0.007 nan 8.310 nan 0.000 0.541 326 P HA 0.502 nan 4.420 nan 0.000 0.272 326 P C 0.693 178.032 177.300 0.065 0.000 1.254 326 P CA 0.873 63.996 63.100 0.039 0.000 0.795 326 P CB -0.395 31.354 31.700 0.082 0.000 1.022 327 G N -1.097 107.770 108.800 0.113 0.000 2.757 327 G HA2 -0.076 3.885 3.960 0.000 0.000 0.638 327 G HA3 -0.076 3.885 3.960 0.000 0.000 0.638 327 G C -1.036 173.942 174.900 0.129 0.000 1.344 327 G CA -0.627 44.562 45.100 0.148 0.000 0.855 327 G HN 0.604 nan 8.290 nan 0.000 0.537 328 T N 3.872 118.526 114.554 0.167 0.000 2.758 328 T HA 0.664 5.014 4.350 0.000 0.000 0.285 328 T C -2.223 172.581 174.700 0.174 0.000 0.981 328 T CA -0.588 61.606 62.100 0.157 0.000 0.965 328 T CB 2.199 71.200 68.868 0.221 0.000 0.927 328 T HN 0.624 nan 8.240 nan 0.000 0.448 329 P HA 0.452 nan 4.420 nan 0.000 0.282 329 P C -1.060 176.406 177.300 0.275 0.000 1.249 329 P CA -0.523 62.694 63.100 0.194 0.000 0.806 329 P CB 1.158 32.943 31.700 0.141 0.000 0.984 330 V N 3.294 123.427 119.914 0.364 0.000 2.540 330 V HA 0.290 4.410 4.120 0.000 0.000 0.302 330 V C 0.243 176.632 176.094 0.492 0.000 1.035 330 V CA -0.789 61.782 62.300 0.452 0.000 0.873 330 V CB 2.173 34.346 31.823 0.583 0.000 0.992 330 V HN 0.271 nan 8.190 nan 0.000 0.428 331 V N 4.377 124.580 119.914 0.483 0.000 2.435 331 V HA 0.355 4.475 4.120 0.000 0.000 0.290 331 V C -0.636 175.717 176.094 0.431 0.000 1.030 331 V CA -0.816 61.800 62.300 0.527 0.000 0.881 331 V CB 1.596 33.701 31.823 0.470 0.000 0.983 331 V HN 0.742 nan 8.190 nan 0.000 0.445 332 Y N 4.031 124.565 120.300 0.391 0.000 2.377 332 Y HA 0.087 4.637 4.550 0.000 0.000 0.330 332 Y C 0.930 176.898 175.900 0.113 0.000 1.108 332 Y CA -0.843 57.403 58.100 0.243 0.000 1.308 332 Y CB 0.629 39.298 38.460 0.348 0.000 1.216 332 Y HN 0.856 nan 8.280 nan 0.000 0.518 333 W N 5.056 126.055 121.300 -0.502 0.000 2.290 333 W HA -0.333 4.327 4.660 0.000 0.000 0.328 333 W C 0.940 177.177 176.519 -0.470 0.000 1.272 333 W CA 2.677 59.781 57.345 -0.403 0.000 1.262 333 W CB -0.238 29.032 29.460 -0.317 0.000 1.151 333 W HN 0.682 nan 8.180 nan 0.000 0.473 334 D N -1.139 118.822 120.400 -0.731 0.000 2.144 334 D HA -0.192 4.448 4.640 0.000 0.000 0.199 334 D C 1.984 177.925 176.300 -0.598 0.000 0.984 334 D CA 1.544 54.964 54.000 -0.967 0.000 0.834 334 D CB -0.859 38.775 40.800 -1.943 0.000 0.955 334 D HN 0.284 nan 8.370 nan 0.000 0.465 335 H N -0.569 118.498 119.070 -0.005 0.000 2.353 335 H HA -0.060 4.496 4.556 0.000 0.000 0.300 335 H C 2.058 177.436 175.328 0.084 0.000 1.090 335 H CA 1.038 57.299 56.048 0.356 0.000 1.327 335 H CB -0.284 29.678 29.762 0.332 0.000 1.383 335 H HN 0.169 nan 8.280 nan 0.000 0.508 336 M N -0.042 119.454 119.600 -0.173 0.000 2.099 336 M HA -0.149 4.331 4.480 0.000 0.000 0.262 336 M C 1.117 176.986 176.300 -0.718 0.000 1.067 336 M CA 1.737 56.703 55.300 -0.557 0.000 1.124 336 M CB -0.081 31.980 32.600 -0.898 0.000 1.353 336 M HN 0.105 nan 8.290 nan 0.000 0.410 337 Y N -1.522 118.516 120.300 -0.436 0.000 2.444 337 Y HA 0.248 4.798 4.550 0.000 0.000 0.252 337 Y C 1.543 177.305 175.900 -0.229 0.000 1.091 337 Y CA -0.188 57.675 58.100 -0.395 0.000 1.276 337 Y CB 0.040 38.056 38.460 -0.740 0.000 1.170 337 Y HN 0.223 nan 8.280 nan 0.000 0.517 338 D N -1.853 118.449 120.400 -0.163 0.000 2.463 338 D HA -0.024 4.616 4.640 0.000 0.000 0.237 338 D C 1.003 177.303 176.300 0.000 0.000 1.013 338 D CA 0.713 54.613 54.000 -0.167 0.000 0.910 338 D CB 0.086 40.572 40.800 -0.523 0.000 1.080 338 D HN 0.254 nan 8.370 nan 0.000 0.498 339 W N 0.983 122.350 121.300 0.111 0.000 3.123 339 W HA 0.392 5.052 4.660 0.000 0.000 0.383 339 W C 0.971 177.456 176.519 -0.056 0.000 1.102 339 W CA -0.157 57.257 57.345 0.115 0.000 1.865 339 W CB -0.224 29.425 29.460 0.316 0.000 1.111 339 W HN 0.014 nan 8.180 nan 0.000 0.621 340 G N 0.636 109.498 108.800 0.103 0.000 2.198 340 G HA2 -0.369 3.591 3.960 0.000 0.000 0.257 340 G HA3 -0.369 3.591 3.960 0.000 0.000 0.257 340 G C 0.119 174.884 174.900 -0.224 0.000 1.042 340 G CA 0.300 45.353 45.100 -0.079 0.000 0.791 340 G HN 0.388 nan 8.290 nan 0.000 0.502 341 Y N 0.024 120.388 120.300 0.107 0.000 2.458 341 Y HA 0.335 4.885 4.550 0.000 0.000 0.256 341 Y C 2.571 178.490 175.900 0.031 0.000 1.159 341 Y CA 0.479 58.639 58.100 0.101 0.000 1.261 341 Y CB 0.211 38.748 38.460 0.127 0.000 1.119 341 Y HN 0.267 nan 8.280 nan 0.000 0.524 342 G N 0.686 109.513 108.800 0.044 0.000 2.553 342 G HA2 -0.329 3.631 3.960 0.000 0.000 0.218 342 G HA3 -0.329 3.631 3.960 0.000 0.000 0.218 342 G C 1.350 176.243 174.900 -0.011 0.000 1.195 342 G CA 1.742 46.812 45.100 -0.050 0.000 0.779 342 G HN 0.253 nan 8.290 nan 0.000 0.577 343 D N -0.183 120.235 120.400 0.030 0.000 2.123 343 D HA -0.099 4.541 4.640 0.000 0.000 0.196 343 D C 2.007 178.349 176.300 0.071 0.000 0.992 343 D CA 0.675 54.698 54.000 0.037 0.000 0.833 343 D CB -0.405 40.420 40.800 0.042 0.000 0.954 343 D HN 0.292 nan 8.370 nan 0.000 0.455 344 F N 1.300 121.237 119.950 -0.022 0.000 2.102 344 F HA -0.102 4.425 4.527 0.000 0.000 0.298 344 F C 2.165 177.944 175.800 -0.035 0.000 1.105 344 F CA 1.089 59.088 58.000 -0.003 0.000 1.239 344 F CB -0.378 38.661 39.000 0.064 0.000 0.991 344 F HN -0.135 nan 8.300 nan 0.000 0.474 345 I N -0.027 120.454 120.570 -0.149 0.000 2.226 345 I HA -0.279 3.891 4.170 0.000 0.000 0.245 345 I C 2.601 178.555 176.117 -0.273 0.000 1.100 345 I CA 1.216 62.338 61.300 -0.297 0.000 1.374 345 I CB -0.550 37.296 38.000 -0.257 0.000 1.057 345 I HN 0.053 nan 8.210 nan 0.000 0.413 346 R N 0.296 120.680 120.500 -0.193 0.000 2.103 346 R HA -0.260 4.080 4.340 0.000 0.000 0.242 346 R C 2.369 178.556 176.300 -0.188 0.000 1.142 346 R CA 1.774 57.764 56.100 -0.183 0.000 0.960 346 R CB -0.315 29.920 30.300 -0.108 0.000 0.858 346 R HN 0.463 nan 8.270 nan 0.000 0.439 347 Q N 0.437 120.125 119.800 -0.188 0.000 2.020 347 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 347 Q C 2.194 178.062 176.000 -0.220 0.000 0.982 347 Q CA 1.445 57.140 55.803 -0.181 0.000 0.838 347 Q CB -0.031 28.603 28.738 -0.173 0.000 0.899 347 Q HN 0.356 nan 8.270 nan 0.000 0.423 348 L N 0.227 121.254 121.223 -0.327 0.000 2.046 348 L HA -0.220 4.120 4.340 0.000 0.000 0.208 348 L C 2.369 179.118 176.870 -0.202 0.000 1.077 348 L CA 0.921 55.587 54.840 -0.289 0.000 0.747 348 L CB -0.368 41.453 42.059 -0.397 0.000 0.896 348 L HN 0.312 nan 8.230 nan 0.000 0.432 349 I N -0.595 119.841 120.570 -0.223 0.000 2.226 349 I HA -0.333 3.838 4.170 0.000 0.000 0.245 349 I C 2.603 178.621 176.117 -0.165 0.000 1.100 349 I CA 1.362 62.535 61.300 -0.211 0.000 1.374 349 I CB -0.314 37.495 38.000 -0.318 0.000 1.057 349 I HN 0.345 nan 8.210 nan 0.000 0.413 350 Q N 0.037 119.744 119.800 -0.154 0.000 2.124 350 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 350 Q C 2.419 178.365 176.000 -0.090 0.000 0.977 350 Q CA 1.486 57.221 55.803 -0.113 0.000 0.850 350 Q CB -0.169 28.511 28.738 -0.097 0.000 0.901 350 Q HN 0.383 nan 8.270 nan 0.000 0.429 351 V N 0.846 120.703 119.914 -0.096 0.000 2.295 351 V HA -0.286 3.834 4.120 0.000 0.000 0.246 351 V C 2.336 178.395 176.094 -0.059 0.000 1.049 351 V CA 2.040 64.298 62.300 -0.069 0.000 1.024 351 V CB -0.602 31.177 31.823 -0.074 0.000 0.648 351 V HN 0.333 nan 8.190 nan 0.000 0.447 352 R N -0.164 120.292 120.500 -0.074 0.000 2.096 352 R HA -0.242 4.098 4.340 0.000 0.000 0.240 352 R C 2.484 178.753 176.300 -0.053 0.000 1.139 352 R CA 1.969 58.033 56.100 -0.060 0.000 0.952 352 R CB -0.190 30.068 30.300 -0.070 0.000 0.854 352 R HN 0.276 nan 8.270 nan 0.000 0.436 353 R N 0.088 120.549 120.500 -0.066 0.000 2.073 353 R HA -0.010 4.330 4.340 0.000 0.000 0.234 353 R C 2.161 178.434 176.300 -0.045 0.000 1.134 353 R CA 1.845 57.910 56.100 -0.059 0.000 0.952 353 R CB -0.666 29.591 30.300 -0.072 0.000 0.850 353 R HN 0.401 nan 8.270 nan 0.000 0.433 354 A N -0.076 122.719 122.820 -0.043 0.000 1.930 354 A HA -0.022 4.298 4.320 0.000 0.000 0.217 354 A C 2.169 179.739 177.584 -0.024 0.000 1.175 354 A CA 1.659 53.676 52.037 -0.033 0.000 0.627 354 A CB -0.717 18.264 19.000 -0.031 0.000 0.815 354 A HN 0.372 nan 8.150 nan 0.000 0.443 355 A N -1.557 121.250 122.820 -0.021 0.000 2.119 355 A HA 0.382 4.702 4.320 0.000 0.000 0.216 355 A C 1.815 179.393 177.584 -0.011 0.000 1.152 355 A CA 1.261 53.292 52.037 -0.009 0.000 0.708 355 A CB -0.997 18.005 19.000 0.003 0.000 0.805 355 A HN 1.931 nan 8.150 nan 0.000 0.460 356 G N -0.740 108.049 108.800 -0.019 0.000 2.246 356 G HA2 -0.159 3.801 3.960 0.000 0.000 0.273 356 G HA3 -0.159 3.801 3.960 0.000 0.000 0.273 356 G C 0.030 174.921 174.900 -0.015 0.000 1.055 356 G CA 0.170 45.259 45.100 -0.019 0.000 0.851 356 G HN 0.769 nan 8.290 nan 0.000 0.500 357 V N 1.330 121.234 119.914 -0.017 0.000 2.555 357 V HA 0.627 4.747 4.120 0.000 0.000 0.286 357 V C 0.985 177.069 176.094 -0.017 0.000 1.044 357 V CA 0.362 62.654 62.300 -0.013 0.000 1.026 357 V CB 0.913 32.726 31.823 -0.017 0.000 0.981 357 V HN 0.774 nan 8.190 nan 0.000 0.480 358 R N 3.958 124.453 120.500 -0.009 0.000 2.905 358 R HA 0.790 5.130 4.340 0.000 0.000 0.260 358 R C 0.890 177.198 176.300 0.012 0.000 1.086 358 R CA -0.298 55.792 56.100 -0.016 0.000 0.978 358 R CB 1.466 31.747 30.300 -0.033 0.000 1.215 358 R HN 0.477 nan 8.270 nan 0.000 0.480 359 A N 0.643 123.469 122.820 0.011 0.000 1.948 359 A HA -0.247 4.073 4.320 0.000 0.000 0.220 359 A C 1.105 178.771 177.584 0.136 0.000 1.177 359 A CA 2.173 54.262 52.037 0.086 0.000 0.636 359 A CB -0.821 18.248 19.000 0.115 0.000 0.815 359 A HN 0.863 nan 8.150 nan 0.000 0.449 360 D N -1.136 119.342 120.400 0.130 0.000 2.363 360 D HA 0.162 4.802 4.640 0.000 0.000 0.214 360 D C 0.214 176.572 176.300 0.098 0.000 1.093 360 D CA 0.146 54.233 54.000 0.144 0.000 0.837 360 D CB -0.675 40.233 40.800 0.180 0.000 0.948 360 D HN 0.127 nan 8.370 nan 0.000 0.507 361 S N 0.486 116.226 115.700 0.067 0.000 2.558 361 S HA 0.345 4.815 4.470 0.000 0.000 0.287 361 S C 0.554 175.181 174.600 0.046 0.000 1.321 361 S CA -0.093 58.134 58.200 0.045 0.000 1.048 361 S CB 0.509 63.724 63.200 0.024 0.000 0.844 361 S HN 0.530 nan 8.310 nan 0.000 0.512 362 A N 2.699 125.539 122.820 0.034 0.000 2.388 362 A HA 0.629 4.949 4.320 0.000 0.000 0.257 362 A C -0.146 177.429 177.584 -0.015 0.000 1.095 362 A CA -0.357 51.694 52.037 0.023 0.000 0.791 362 A CB 0.032 19.046 19.000 0.022 0.000 1.029 362 A HN 0.825 nan 8.150 nan 0.000 0.489 363 I N 1.248 121.788 120.570 -0.051 0.000 2.569 363 I HA 0.506 4.676 4.170 0.000 0.000 0.290 363 I C -0.651 175.287 176.117 -0.299 0.000 1.088 363 I CA -0.067 61.119 61.300 -0.189 0.000 1.047 363 I CB 2.091 39.959 38.000 -0.221 0.000 1.237 363 I HN 0.584 nan 8.210 nan 0.000 0.421 364 S N 6.239 121.692 115.700 -0.411 0.000 2.513 364 S HA 0.658 5.128 4.470 0.000 0.000 0.299 364 S C -0.993 173.149 174.600 -0.763 0.000 1.087 364 S CA -0.471 57.478 58.200 -0.420 0.000 1.012 364 S CB 1.444 64.489 63.200 -0.258 0.000 1.044 364 S HN 0.390 nan 8.310 nan 0.000 0.485 365 F N 1.203 120.973 119.950 -0.300 0.000 2.443 365 F HA 0.433 4.960 4.527 0.000 0.000 0.335 365 F C 0.426 175.957 175.800 -0.448 0.000 1.104 365 F CA -0.663 57.167 58.000 -0.283 0.000 1.013 365 F CB 1.078 39.999 39.000 -0.131 0.000 1.136 365 F HN 0.561 nan 8.300 nan 0.000 0.470 366 H N -0.415 118.766 119.070 0.185 0.000 2.467 366 H HA 0.308 4.864 4.556 0.000 0.000 0.326 366 H C 0.526 175.958 175.328 0.173 0.000 1.094 366 H CA -0.429 55.714 56.048 0.159 0.000 1.253 366 H CB 1.444 31.295 29.762 0.148 0.000 1.439 366 H HN 0.579 nan 8.280 nan 0.000 0.479 367 S N 1.094 116.914 115.700 0.201 0.000 2.511 367 S HA 0.052 4.522 4.470 0.000 0.000 0.214 367 S C 1.996 176.616 174.600 0.034 0.000 0.997 367 S CA 0.106 58.368 58.200 0.104 0.000 0.908 367 S CB 0.205 63.435 63.200 0.051 0.000 0.803 367 S HN 0.707 nan 8.310 nan 0.000 0.504 368 G N 0.162 108.945 108.800 -0.029 0.000 2.848 368 G HA2 0.294 4.254 3.960 0.000 0.000 0.208 368 G HA3 0.294 4.254 3.960 0.000 0.000 0.208 368 G C -0.199 174.306 174.900 -0.659 0.000 1.152 368 G CA 0.059 44.947 45.100 -0.354 0.000 0.789 368 G HN 0.513 nan 8.290 nan 0.000 0.531 369 Y N -0.245 120.063 120.300 0.013 0.000 2.598 369 Y HA 0.525 5.075 4.550 0.000 0.000 0.340 369 Y C 0.714 176.608 175.900 -0.011 0.000 1.038 369 Y CA -1.294 56.806 58.100 -0.000 0.000 1.100 369 Y CB 1.358 39.819 38.460 0.003 0.000 1.281 369 Y HN 0.030 nan 8.280 nan 0.000 0.488 370 S N 0.136 115.915 115.700 0.132 0.000 2.624 370 S HA 0.676 5.146 4.470 0.000 0.000 0.263 370 S C 0.659 175.274 174.600 0.025 0.000 1.287 370 S CA 0.035 58.260 58.200 0.041 0.000 0.990 370 S CB 0.780 63.989 63.200 0.016 0.000 0.950 370 S HN 1.621 nan 8.310 nan 0.000 0.561 371 G N 0.450 109.219 108.800 -0.050 0.000 2.539 371 G HA2 -0.170 3.790 3.960 0.000 0.000 0.256 371 G HA3 -0.170 3.790 3.960 0.000 0.000 0.256 371 G C -0.716 174.109 174.900 -0.125 0.000 1.233 371 G CA 0.057 45.084 45.100 -0.122 0.000 0.936 371 G HN 1.310 nan 8.290 nan 0.000 0.571 372 L N 0.734 121.872 121.223 -0.141 0.000 2.325 372 L HA 0.789 5.129 4.340 0.000 0.000 0.281 372 L C -0.096 176.810 176.870 0.060 0.000 1.004 372 L CA -0.597 54.193 54.840 -0.082 0.000 0.823 372 L CB 0.979 42.886 42.059 -0.253 0.000 1.236 372 L HN 1.463 nan 8.230 nan 0.000 0.415 373 V N 5.010 125.020 119.914 0.159 0.000 2.525 373 V HA 0.944 5.064 4.120 0.000 0.000 0.299 373 V C -0.886 175.378 176.094 0.283 0.000 1.034 373 V CA -0.005 62.410 62.300 0.193 0.000 0.863 373 V CB 1.565 33.456 31.823 0.112 0.000 0.999 373 V HN 1.038 nan 8.190 nan 0.000 0.423 374 A N 3.967 126.917 122.820 0.216 0.000 2.449 374 A HA 0.862 5.182 4.320 0.000 0.000 0.302 374 A C -0.274 177.371 177.584 0.101 0.000 1.048 374 A CA -0.586 51.485 52.037 0.056 0.000 0.708 374 A CB 2.155 21.136 19.000 -0.032 0.000 1.274 374 A HN 0.901 nan 8.150 nan 0.000 0.410 375 T N 1.909 116.513 114.554 0.083 0.000 2.756 375 T HA 0.521 4.871 4.350 0.000 0.000 0.290 375 T C -0.453 174.243 174.700 -0.007 0.000 0.985 375 T CA -0.228 61.935 62.100 0.106 0.000 0.955 375 T CB 0.774 69.765 68.868 0.206 0.000 0.930 375 T HN 0.498 nan 8.240 nan 0.000 0.451 376 V N 3.227 123.155 119.914 0.023 0.000 2.435 376 V HA 0.413 4.533 4.120 0.000 0.000 0.290 376 V C 0.250 176.364 176.094 0.034 0.000 1.030 376 V CA -0.812 61.487 62.300 -0.001 0.000 0.881 376 V CB 1.861 33.680 31.823 -0.007 0.000 0.983 376 V HN 0.890 nan 8.190 nan 0.000 0.445 377 S N 3.617 119.329 115.700 0.021 0.000 2.466 377 S HA 0.526 4.996 4.470 0.000 0.000 0.313 377 S C 0.585 175.199 174.600 0.023 0.000 1.078 377 S CA -0.402 57.817 58.200 0.031 0.000 1.115 377 S CB 0.909 64.126 63.200 0.029 0.000 1.006 377 S HN 1.023 nan 8.310 nan 0.000 0.487 378 G N 1.439 110.252 108.800 0.022 0.000 2.537 378 G HA2 0.328 4.288 3.960 0.000 0.000 0.273 378 G HA3 0.328 4.288 3.960 0.000 0.000 0.273 378 G C 1.008 175.913 174.900 0.008 0.000 1.189 378 G CA -0.424 44.683 45.100 0.011 0.000 0.881 378 G HN 0.651 nan 8.290 nan 0.000 0.535 379 S N -0.781 114.921 115.700 0.003 0.000 2.447 379 S HA -0.084 4.386 4.470 0.000 0.000 0.233 379 S C 1.616 176.213 174.600 -0.005 0.000 1.006 379 S CA 1.138 59.338 58.200 0.001 0.000 0.957 379 S CB 0.021 63.221 63.200 -0.001 0.000 0.773 379 S HN 0.542 nan 8.310 nan 0.000 0.507 380 Q N 0.386 120.181 119.800 -0.008 0.000 2.462 380 Q HA 0.360 4.700 4.340 0.000 0.000 0.224 380 Q C 0.306 176.295 176.000 -0.019 0.000 0.911 380 Q CA 0.704 56.499 55.803 -0.014 0.000 0.925 380 Q CB 0.358 29.087 28.738 -0.017 0.000 1.063 380 Q HN 0.693 nan 8.270 nan 0.000 0.572 381 Q N -0.429 119.365 119.800 -0.011 0.000 2.501 381 Q HA 0.462 4.803 4.340 0.000 0.000 0.288 381 Q C -1.231 174.779 176.000 0.016 0.000 1.051 381 Q CA -0.439 55.355 55.803 -0.015 0.000 0.788 381 Q CB 2.186 30.916 28.738 -0.014 0.000 1.469 381 Q HN -0.142 nan 8.270 nan 0.000 0.416 382 T N 1.350 115.921 114.554 0.029 0.000 2.829 382 T HA 0.566 4.916 4.350 0.000 0.000 0.282 382 T C -0.533 174.297 174.700 0.218 0.000 0.990 382 T CA -0.543 61.623 62.100 0.111 0.000 1.028 382 T CB 0.383 69.341 68.868 0.151 0.000 0.951 382 T HN 0.240 nan 8.240 nan 0.000 0.460 383 L N 2.664 124.007 121.223 0.199 0.000 2.334 383 L HA 0.689 5.029 4.340 0.000 0.000 0.276 383 L C -0.671 176.326 176.870 0.211 0.000 1.014 383 L CA -1.193 53.783 54.840 0.226 0.000 0.815 383 L CB 1.888 44.022 42.059 0.125 0.000 1.268 383 L HN 0.318 nan 8.230 nan 0.000 0.428 384 V N 3.647 123.700 119.914 0.233 0.000 2.409 384 V HA 0.442 4.562 4.120 0.000 0.000 0.291 384 V C -0.197 176.048 176.094 0.251 0.000 1.020 384 V CA -0.578 61.794 62.300 0.121 0.000 0.848 384 V CB 2.172 33.871 31.823 -0.206 0.000 0.990 384 V HN 0.423 nan 8.190 nan 0.000 0.430 385 V N 3.951 123.976 119.914 0.185 0.000 2.487 385 V HA 0.838 4.958 4.120 0.000 0.000 0.298 385 V C 0.126 176.323 176.094 0.172 0.000 1.028 385 V CA -0.467 61.935 62.300 0.170 0.000 0.860 385 V CB 1.864 33.784 31.823 0.162 0.000 0.991 385 V HN 0.967 nan 8.190 nan 0.000 0.427 386 A N 6.515 129.421 122.820 0.142 0.000 2.340 386 A HA 0.856 5.176 4.320 0.000 0.000 0.297 386 A C -1.052 176.558 177.584 0.043 0.000 1.195 386 A CA -0.384 51.719 52.037 0.110 0.000 0.769 386 A CB 0.622 19.733 19.000 0.186 0.000 1.163 386 A HN 0.775 nan 8.150 nan 0.000 0.472 387 L N 2.303 123.534 121.223 0.014 0.000 2.325 387 L HA 0.430 4.770 4.340 0.000 0.000 0.281 387 L C 0.370 177.185 176.870 -0.091 0.000 1.004 387 L CA -0.661 54.156 54.840 -0.038 0.000 0.823 387 L CB 1.155 43.180 42.059 -0.057 0.000 1.236 387 L HN 0.922 nan 8.230 nan 0.000 0.415 388 N N 1.160 119.819 118.700 -0.068 0.000 2.716 388 N HA -0.205 4.535 4.740 0.000 0.000 0.250 388 N C -0.313 175.168 175.510 -0.050 0.000 1.033 388 N CA 0.596 53.603 53.050 -0.071 0.000 0.727 388 N CB -0.330 38.086 38.487 -0.119 0.000 0.950 388 N HN 0.587 nan 8.380 nan 0.000 0.541 389 S N 0.009 115.701 115.700 -0.015 0.000 2.568 389 S HA 0.337 4.807 4.470 0.000 0.000 0.302 389 S C 0.524 175.150 174.600 0.042 0.000 1.082 389 S CA -0.684 57.529 58.200 0.020 0.000 1.009 389 S CB 1.339 64.558 63.200 0.032 0.000 1.069 389 S HN 0.289 nan 8.310 nan 0.000 0.500 390 D N 2.555 123.002 120.400 0.077 0.000 2.328 390 D HA 0.064 4.704 4.640 0.000 0.000 0.226 390 D C 0.648 177.011 176.300 0.104 0.000 1.066 390 D CA -0.300 53.754 54.000 0.090 0.000 0.861 390 D CB -0.505 40.351 40.800 0.093 0.000 0.912 390 D HN 0.325 nan 8.370 nan 0.000 0.521 391 L N 0.686 121.928 121.223 0.032 0.000 2.559 391 L HA 0.311 4.651 4.340 0.000 0.000 0.282 391 L C 1.447 178.269 176.870 -0.081 0.000 1.232 391 L CA 0.543 55.261 54.840 -0.205 0.000 0.885 391 L CB 0.851 42.695 42.059 -0.359 0.000 1.131 391 L HN 0.064 nan 8.230 nan 0.000 0.498 392 G N 4.368 113.087 108.800 -0.134 0.000 2.473 392 G HA2 0.008 3.968 3.960 0.000 0.000 0.212 392 G HA3 0.008 3.968 3.960 0.000 0.000 0.212 392 G C 0.131 174.947 174.900 -0.139 0.000 1.211 392 G CA 0.528 45.584 45.100 -0.073 0.000 0.813 392 G HN 0.834 nan 8.290 nan 0.000 0.541 393 N N -0.594 117.909 118.700 -0.328 0.000 2.591 393 N HA 0.212 4.952 4.740 0.000 0.000 0.263 393 N C -2.686 172.321 175.510 -0.838 0.000 1.308 393 N CA -1.393 51.316 53.050 -0.568 0.000 0.837 393 N CB 2.425 40.709 38.487 -0.337 0.000 1.548 393 N HN -0.146 nan 8.380 nan 0.000 0.493 394 P HA -0.117 nan 4.420 nan 0.000 0.218 394 P C 1.466 178.271 177.300 -0.826 0.000 1.148 394 P CA 1.749 64.080 63.100 -1.281 0.000 0.822 394 P CB -0.262 30.346 31.700 -1.819 0.000 0.784 395 G N 0.052 108.523 108.800 -0.549 0.000 2.470 395 G HA2 -0.247 3.713 3.960 0.000 0.000 0.220 395 G HA3 -0.247 3.713 3.960 0.000 0.000 0.220 395 G C 1.597 176.346 174.900 -0.251 0.000 1.121 395 G CA 0.323 45.253 45.100 -0.283 0.000 0.766 395 G HN 0.345 nan 8.290 nan 0.000 0.553 396 Q N -1.011 118.599 119.800 -0.317 0.000 2.297 396 Q HA 0.125 4.465 4.340 0.000 0.000 0.204 396 Q C 2.133 177.999 176.000 -0.224 0.000 0.962 396 Q CA 0.568 56.242 55.803 -0.215 0.000 0.879 396 Q CB 0.236 28.840 28.738 -0.224 0.000 0.947 396 Q HN 0.416 nan 8.270 nan 0.000 0.462 397 V N -1.327 118.357 119.914 -0.383 0.000 3.562 397 V HA 0.363 4.483 4.120 0.000 0.000 0.270 397 V C -0.344 175.522 176.094 -0.379 0.000 1.418 397 V CA 0.472 62.492 62.300 -0.468 0.000 1.033 397 V CB 1.404 32.775 31.823 -0.753 0.000 0.820 397 V HN 0.156 nan 8.190 nan 0.000 0.441 398 A N -0.020 122.616 122.820 -0.307 0.000 2.549 398 A HA 0.743 5.063 4.320 0.000 0.000 0.297 398 A C -0.226 177.375 177.584 0.028 0.000 1.061 398 A CA 0.101 52.069 52.037 -0.115 0.000 0.690 398 A CB 1.719 20.652 19.000 -0.111 0.000 1.287 398 A HN 0.342 nan 8.150 nan 0.000 0.402 399 S N 0.784 116.542 115.700 0.097 0.000 2.586 399 S HA 0.844 5.315 4.470 0.000 0.000 0.274 399 S C 0.443 175.144 174.600 0.169 0.000 1.281 399 S CA 0.314 58.577 58.200 0.104 0.000 1.035 399 S CB 1.038 64.267 63.200 0.047 0.000 0.962 399 S HN 2.749 nan 8.310 nan 0.000 0.512 400 G N 0.544 109.405 108.800 0.103 0.000 2.423 400 G HA2 0.127 4.087 3.960 0.000 0.000 0.684 400 G HA3 0.127 4.087 3.960 0.000 0.000 0.684 400 G C -0.554 174.325 174.900 -0.034 0.000 1.309 400 G CA -0.479 44.606 45.100 -0.025 0.000 0.950 400 G HN 1.142 nan 8.290 nan 0.000 0.587 401 S N -0.332 115.258 115.700 -0.183 0.000 2.499 401 S HA 0.721 5.191 4.470 0.000 0.000 0.275 401 S C -0.499 173.887 174.600 -0.358 0.000 1.257 401 S CA -0.218 57.894 58.200 -0.146 0.000 1.050 401 S CB -0.186 62.941 63.200 -0.121 0.000 0.937 401 S HN 0.545 nan 8.310 nan 0.000 0.490 402 F N 2.303 122.233 119.950 -0.033 0.000 2.546 402 F HA 0.525 5.052 4.527 0.000 0.000 0.320 402 F C 0.466 176.318 175.800 0.086 0.000 1.076 402 F CA -0.561 57.444 58.000 0.009 0.000 0.928 402 F CB 2.214 41.156 39.000 -0.097 0.000 1.189 402 F HN 0.522 nan 8.300 nan 0.000 0.465 403 S N 0.614 116.508 115.700 0.323 0.000 2.526 403 S HA 0.411 4.881 4.470 0.000 0.000 0.293 403 S C -0.885 173.931 174.600 0.359 0.000 1.092 403 S CA -1.094 57.266 58.200 0.267 0.000 0.980 403 S CB 1.827 65.102 63.200 0.125 0.000 1.048 403 S HN 0.660 nan 8.310 nan 0.000 0.483 404 E N 0.619 120.988 120.200 0.281 0.000 2.376 404 E HA 0.347 4.697 4.350 0.000 0.000 0.266 404 E C 0.709 177.299 176.600 -0.016 0.000 1.009 404 E CA -0.031 56.395 56.400 0.043 0.000 0.902 404 E CB 0.751 30.441 29.700 -0.017 0.000 0.972 404 E HN 0.805 nan 8.360 nan 0.000 0.439 405 A N 4.334 127.097 122.820 -0.095 0.000 1.984 405 A HA 0.208 4.528 4.320 0.000 0.000 0.203 405 A C 0.119 177.649 177.584 -0.090 0.000 1.292 405 A CA 0.223 52.226 52.037 -0.056 0.000 0.782 405 A CB 0.804 19.790 19.000 -0.023 0.000 0.924 405 A HN 0.378 nan 8.150 nan 0.000 0.475 406 V N -0.063 119.760 119.914 -0.152 0.000 2.971 406 V HA 0.460 4.580 4.120 0.000 0.000 0.309 406 V C -1.175 174.814 176.094 -0.175 0.000 1.130 406 V CA -0.738 61.498 62.300 -0.108 0.000 0.964 406 V CB 1.835 33.622 31.823 -0.061 0.000 1.029 406 V HN 0.523 nan 8.190 nan 0.000 0.427 407 N N 1.644 120.296 118.700 -0.081 0.000 2.747 407 N HA 0.679 5.419 4.740 0.000 0.000 0.262 407 N C -0.920 174.579 175.510 -0.018 0.000 1.261 407 N CA -0.016 52.976 53.050 -0.097 0.000 0.809 407 N CB 1.207 39.622 38.487 -0.120 0.000 1.450 407 N HN 1.049 nan 8.380 nan 0.000 0.560 408 A N 1.377 124.198 122.820 0.001 0.000 2.486 408 A HA 0.769 5.089 4.320 0.000 0.000 0.289 408 A C 0.479 178.033 177.584 -0.050 0.000 1.176 408 A CA -0.377 51.652 52.037 -0.014 0.000 0.757 408 A CB 1.406 20.404 19.000 -0.003 0.000 1.337 408 A HN 0.571 nan 8.150 nan 0.000 0.423 409 S N -0.035 115.618 115.700 -0.077 0.000 3.587 409 S HA -0.222 4.248 4.470 0.000 0.000 0.337 409 S C 0.385 174.958 174.600 -0.045 0.000 1.119 409 S CA 1.566 59.724 58.200 -0.070 0.000 0.976 409 S CB -1.835 61.321 63.200 -0.074 0.000 0.922 409 S HN 1.380 nan 8.310 nan 0.000 0.503 410 N N -1.756 116.922 118.700 -0.037 0.000 2.869 410 N HA -0.180 4.560 4.740 0.000 0.000 0.249 410 N C 0.563 176.059 175.510 -0.022 0.000 1.104 410 N CA 0.887 53.922 53.050 -0.026 0.000 0.760 410 N CB -1.426 37.047 38.487 -0.023 0.000 1.108 410 N HN 1.276 nan 8.380 nan 0.000 0.555 411 G N -0.627 108.155 108.800 -0.031 0.000 2.176 411 G HA2 -0.381 3.579 3.960 0.000 0.000 0.253 411 G HA3 -0.381 3.579 3.960 0.000 0.000 0.253 411 G C 0.570 175.451 174.900 -0.031 0.000 0.979 411 G CA 0.610 45.691 45.100 -0.032 0.000 0.641 411 G HN 0.498 nan 8.290 nan 0.000 0.530 412 Q N -0.828 118.954 119.800 -0.030 0.000 2.224 412 Q HA 0.182 4.522 4.340 0.000 0.000 0.203 412 Q C 0.673 176.660 176.000 -0.021 0.000 0.970 412 Q CA 1.310 57.096 55.803 -0.027 0.000 0.865 412 Q CB 0.296 29.015 28.738 -0.031 0.000 0.922 412 Q HN 0.460 nan 8.270 nan 0.000 0.445 413 V N 1.529 121.432 119.914 -0.019 0.000 2.349 413 V HA 0.350 4.470 4.120 0.000 0.000 0.284 413 V C -0.674 175.381 176.094 -0.065 0.000 1.014 413 V CA -0.492 61.817 62.300 0.016 0.000 0.826 413 V CB 1.490 33.381 31.823 0.113 0.000 1.009 413 V HN 0.124 nan 8.190 nan 0.000 0.431 414 R N 3.426 123.836 120.500 -0.151 0.000 2.575 414 R HA 0.854 5.195 4.340 0.000 0.000 0.293 414 R C -1.646 174.376 176.300 -0.463 0.000 0.983 414 R CA -0.690 55.147 56.100 -0.438 0.000 0.887 414 R CB 2.804 32.687 30.300 -0.696 0.000 1.184 414 R HN 0.457 nan 8.270 nan 0.000 0.445 415 V N 2.525 122.115 119.914 -0.540 0.000 2.686 415 V HA 0.531 4.651 4.120 0.000 0.000 0.306 415 V C -0.721 175.174 176.094 -0.330 0.000 1.065 415 V CA -0.918 61.221 62.300 -0.268 0.000 0.894 415 V CB 1.999 33.768 31.823 -0.091 0.000 1.004 415 V HN 0.639 nan 8.190 nan 0.000 0.424 416 W N 3.704 125.035 121.300 0.051 0.000 2.799 416 W HA 0.756 5.417 4.660 0.000 0.000 0.349 416 W C -0.184 176.487 176.519 0.253 0.000 1.100 416 W CA -0.795 56.632 57.345 0.137 0.000 1.174 416 W CB 2.599 32.130 29.460 0.117 0.000 1.427 416 W HN 0.618 nan 8.180 nan 0.000 0.547 417 R N 0.022 120.834 120.500 0.520 0.000 2.725 417 R HA 0.553 4.893 4.340 0.000 0.000 0.277 417 R C -0.021 176.315 176.300 0.061 0.000 0.987 417 R CA -0.579 55.702 56.100 0.301 0.000 0.901 417 R CB 1.626 32.007 30.300 0.134 0.000 1.207 417 R HN 0.432 nan 8.270 nan 0.000 0.463 418 S N 0.000 115.555 115.700 -0.241 0.000 2.498 418 S HA 0.000 4.470 4.470 0.000 0.000 0.327 418 S CA 0.000 57.857 58.200 -0.571 0.000 1.107 418 S CB 0.000 62.930 63.200 -0.450 0.000 0.593 418 S HN 0.000 nan 8.310 nan 0.000 0.517