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 1qi3_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 RFNFVRGYAP DATA SEQUENCE ERVNSWMTDS ADNSFcVGEL 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 0.000 176.328 176.300 0.047 0.000 2.045 1 D CA 0.000 54.032 54.000 0.053 0.000 0.868 1 D CB 0.000 40.857 40.800 0.095 0.000 0.688 2 Q N 1.650 121.456 119.800 0.011 0.000 2.361 2 Q HA 0.449 4.789 4.340 -0.000 0.000 0.276 2 Q C -0.185 175.744 176.000 -0.118 0.000 1.022 2 Q CA 0.297 56.079 55.803 -0.035 0.000 0.898 2 Q CB 0.876 29.590 28.738 -0.040 0.000 1.246 2 Q HN 0.432 nan 8.270 nan 0.000 0.410 3 A N 3.529 126.224 122.820 -0.208 0.000 2.594 3 A HA 0.423 4.743 4.320 -0.000 0.000 0.292 3 A C 0.183 177.587 177.584 -0.300 0.000 1.026 3 A CA 0.102 51.807 52.037 -0.552 0.000 0.983 3 A CB 0.356 19.031 19.000 -0.542 0.000 1.233 3 A HN 0.785 nan 8.150 nan 0.000 0.519 4 G N -0.205 108.551 108.800 -0.074 0.000 2.532 4 G HA2 0.494 4.454 3.960 -0.000 0.000 0.291 4 G HA3 0.494 4.454 3.960 -0.000 0.000 0.291 4 G C -0.195 174.818 174.900 0.188 0.000 1.349 4 G CA -0.567 44.561 45.100 0.046 0.000 1.038 4 G HN 0.301 nan 8.290 nan 0.000 0.518 5 K N -0.414 120.065 120.400 0.131 0.000 2.098 5 K HA 0.439 4.759 4.320 -0.000 0.000 0.261 5 K C 0.864 177.421 176.600 -0.072 0.000 0.987 5 K CA -0.301 56.010 56.287 0.041 0.000 0.916 5 K CB 1.359 33.852 32.500 -0.011 0.000 1.039 5 K HN 0.626 nan 8.250 nan 0.000 0.455 6 S N 1.459 116.867 115.700 -0.487 0.000 2.617 6 S HA 0.157 4.627 4.470 -0.000 0.000 0.259 6 S C -1.760 172.714 174.600 -0.209 0.000 1.301 6 S CA -0.915 56.921 58.200 -0.608 0.000 0.984 6 S CB 0.521 63.187 63.200 -0.890 0.000 0.954 6 S HN 0.387 nan 8.310 nan 0.000 0.572 7 P HA 0.051 nan 4.420 nan 0.000 0.225 7 P C 0.237 177.494 177.300 -0.071 0.000 1.148 7 P CA 0.866 63.934 63.100 -0.053 0.000 0.779 7 P CB -0.084 31.610 31.700 -0.009 0.000 0.780 8 N N -1.252 117.379 118.700 -0.115 0.000 2.238 8 N HA 0.300 5.040 4.740 -0.000 0.000 0.222 8 N C 0.403 175.840 175.510 -0.123 0.000 1.133 8 N CA 0.301 53.287 53.050 -0.106 0.000 0.854 8 N CB -0.203 38.216 38.487 -0.113 0.000 1.041 8 N HN -0.125 nan 8.380 nan 0.000 0.510 9 A N -1.014 121.730 122.820 -0.128 0.000 2.860 9 A HA -0.184 4.136 4.320 -0.000 0.000 0.267 9 A C 0.102 177.602 177.584 -0.140 0.000 1.421 9 A CA 0.511 52.481 52.037 -0.112 0.000 0.831 9 A CB -2.322 16.633 19.000 -0.076 0.000 1.041 9 A HN 0.035 nan 8.150 nan 0.000 0.623 10 V N 0.617 120.405 119.914 -0.211 0.000 2.530 10 V HA 0.227 4.347 4.120 -0.000 0.000 0.282 10 V C 1.366 177.350 176.094 -0.182 0.000 1.048 10 V CA -0.180 61.997 62.300 -0.205 0.000 0.997 10 V CB 1.178 32.863 31.823 -0.229 0.000 0.987 10 V HN 0.474 nan 8.190 nan 0.000 0.477 11 R N 4.531 124.980 120.500 -0.084 0.000 4.154 11 R HA 0.063 4.403 4.340 -0.000 0.000 0.186 11 R C 0.151 176.507 176.300 0.093 0.000 1.750 11 R CA -0.106 56.005 56.100 0.018 0.000 1.431 11 R CB -0.299 30.006 30.300 0.008 0.000 1.383 11 R HN 0.896 nan 8.270 nan 0.000 0.788 12 Y N -0.972 119.372 120.300 0.073 0.000 2.468 12 Y HA 0.089 4.639 4.550 -0.000 0.000 0.268 12 Y C 0.427 176.602 175.900 0.458 0.000 1.177 12 Y CA -1.326 56.913 58.100 0.231 0.000 1.265 12 Y CB -0.921 37.649 38.460 0.183 0.000 1.103 12 Y HN 0.434 nan 8.280 nan 0.000 0.522 13 H N 1.366 120.763 119.070 0.545 0.000 2.591 13 H HA -0.173 4.382 4.556 -0.000 0.000 0.325 13 H C 1.438 176.817 175.328 0.085 0.000 1.096 13 H CA 1.096 57.329 56.048 0.309 0.000 1.108 13 H CB -1.051 28.903 29.762 0.319 0.000 1.590 13 H HN 0.876 nan 8.280 nan 0.000 0.399 14 G N 0.084 108.864 108.800 -0.034 0.000 2.253 14 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.251 14 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.251 14 G C 1.525 176.068 174.900 -0.594 0.000 0.998 14 G CA 1.042 46.014 45.100 -0.213 0.000 0.621 14 G HN 1.821 nan 8.290 nan 0.000 0.524 15 G N 0.193 108.438 108.800 -0.925 0.000 2.160 15 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.251 15 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.251 15 G C 0.373 175.093 174.900 -0.300 0.000 1.008 15 G CA 1.261 45.839 45.100 -0.869 0.000 0.724 15 G HN 1.948 nan 8.290 nan 0.000 0.514 16 D N -0.565 119.729 120.400 -0.177 0.000 2.571 16 D HA 0.237 4.876 4.640 -0.000 0.000 0.239 16 D C 0.379 176.641 176.300 -0.063 0.000 1.267 16 D CA -0.333 53.614 54.000 -0.089 0.000 0.823 16 D CB 0.297 41.059 40.800 -0.065 0.000 1.056 16 D HN 0.332 nan 8.370 nan 0.000 0.494 17 E N 0.606 120.757 120.200 -0.083 0.000 2.349 17 E HA 0.440 4.789 4.350 -0.000 0.000 0.265 17 E C 0.151 176.714 176.600 -0.061 0.000 1.064 17 E CA -0.433 55.892 56.400 -0.125 0.000 0.886 17 E CB 2.010 31.510 29.700 -0.332 0.000 1.036 17 E HN 0.260 nan 8.360 nan 0.000 0.413 18 I N 2.988 123.548 120.570 -0.017 0.000 2.503 18 I HA 0.313 4.483 4.170 -0.000 0.000 0.282 18 I C -0.370 175.873 176.117 0.210 0.000 1.059 18 I CA -0.361 60.995 61.300 0.093 0.000 1.081 18 I CB 0.973 39.005 38.000 0.054 0.000 1.210 18 I HN 0.202 nan 8.210 nan 0.000 0.450 19 I N 6.064 126.760 120.570 0.209 0.000 2.437 19 I HA 0.398 4.568 4.170 -0.000 0.000 0.298 19 I C -0.600 175.603 176.117 0.143 0.000 0.984 19 I CA -0.894 60.509 61.300 0.171 0.000 1.214 19 I CB 1.988 40.066 38.000 0.131 0.000 1.365 19 I HN 0.352 nan 8.210 nan 0.000 0.469 20 L N 5.522 126.659 121.223 -0.143 0.000 2.296 20 L HA 0.352 4.692 4.340 -0.000 0.000 0.286 20 L C -0.131 176.725 176.870 -0.024 0.000 1.023 20 L CA -0.060 54.519 54.840 -0.435 0.000 0.812 20 L CB 1.463 42.898 42.059 -1.040 0.000 1.223 20 L HN 0.627 nan 8.230 nan 0.000 0.421 21 Q N 3.448 123.271 119.800 0.039 0.000 2.307 21 Q HA 0.279 4.619 4.340 -0.000 0.000 0.261 21 Q C 0.777 176.736 176.000 -0.069 0.000 1.051 21 Q CA 0.261 55.981 55.803 -0.139 0.000 0.911 21 Q CB 0.951 29.457 28.738 -0.387 0.000 1.227 21 Q HN 0.977 nan 8.270 nan 0.000 0.418 22 G N 4.787 113.598 108.800 0.018 0.000 3.262 22 G HA2 0.203 4.163 3.960 -0.000 0.000 0.222 22 G HA3 0.203 4.163 3.960 -0.000 0.000 0.222 22 G C -0.505 174.490 174.900 0.159 0.000 1.269 22 G CA 0.123 45.342 45.100 0.199 0.000 1.032 22 G HN 0.651 nan 8.290 nan 0.000 0.502 23 F N -2.278 117.510 119.950 -0.271 0.000 2.900 23 F HA 0.551 5.078 4.527 -0.000 0.000 0.321 23 F C -0.850 174.736 175.800 -0.356 0.000 1.160 23 F CA -1.965 55.674 58.000 -0.603 0.000 0.890 23 F CB 0.671 39.255 39.000 -0.692 0.000 1.334 23 F HN 0.173 nan 8.300 nan 0.000 0.459 24 H N -0.851 118.045 119.070 -0.291 0.000 2.907 24 H HA 0.199 4.755 4.556 -0.000 0.000 0.361 24 H C -0.191 175.279 175.328 0.237 0.000 1.194 24 H CA -0.835 55.215 56.048 0.003 0.000 1.152 24 H CB 1.612 31.356 29.762 -0.030 0.000 1.867 24 H HN 0.987 nan 8.280 nan 0.000 0.561 25 W N 2.118 123.646 121.300 0.380 0.000 2.342 25 W HA -0.140 4.520 4.660 -0.000 0.000 0.297 25 W C -0.026 176.617 176.519 0.208 0.000 1.213 25 W CA 1.714 59.262 57.345 0.338 0.000 1.251 25 W CB 0.074 29.739 29.460 0.341 0.000 1.136 25 W HN 0.690 nan 8.180 nan 0.000 0.526 26 N N -0.066 118.823 118.700 0.314 0.000 2.313 26 N HA -0.042 4.698 4.740 -0.000 0.000 0.207 26 N C 1.320 176.734 175.510 -0.160 0.000 1.141 26 N CA -0.320 52.772 53.050 0.070 0.000 0.830 26 N CB 0.383 39.029 38.487 0.266 0.000 1.008 26 N HN -0.152 nan 8.380 nan 0.000 0.481 27 V N 0.756 120.329 119.914 -0.569 0.000 2.287 27 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 27 V C 2.333 178.117 176.094 -0.517 0.000 1.053 27 V CA 1.830 63.657 62.300 -0.788 0.000 1.027 27 V CB -0.430 30.569 31.823 -1.374 0.000 0.646 27 V HN 0.397 nan 8.190 nan 0.000 0.447 28 V N -1.503 118.058 119.914 -0.588 0.000 2.867 28 V HA -0.179 3.940 4.120 -0.000 0.000 0.260 28 V C 2.191 178.095 176.094 -0.316 0.000 1.099 28 V CA 1.920 63.886 62.300 -0.558 0.000 1.122 28 V CB -0.879 30.527 31.823 -0.695 0.000 0.708 28 V HN 0.463 nan 8.190 nan 0.000 0.490 29 R N -0.599 119.758 120.500 -0.239 0.000 2.146 29 R HA 0.172 4.512 4.340 -0.000 0.000 0.206 29 R C 2.321 178.581 176.300 -0.066 0.000 1.049 29 R CA 0.744 56.765 56.100 -0.132 0.000 1.029 29 R CB -0.027 30.217 30.300 -0.094 0.000 0.949 29 R HN 0.468 nan 8.270 nan 0.000 0.471 30 E N 0.203 120.376 120.200 -0.044 0.000 2.190 30 E HA 0.070 4.420 4.350 -0.000 0.000 0.191 30 E C 0.257 176.877 176.600 0.035 0.000 0.978 30 E CA 0.649 57.067 56.400 0.030 0.000 0.839 30 E CB 0.639 30.409 29.700 0.117 0.000 0.787 30 E HN 0.167 nan 8.360 nan 0.000 0.473 31 A N 2.287 125.107 122.820 0.000 0.000 3.308 31 A HA 0.302 4.622 4.320 -0.000 0.000 0.275 31 A C -2.541 175.038 177.584 -0.008 0.000 0.950 31 A CA -1.235 50.841 52.037 0.064 0.000 0.987 31 A CB 0.135 19.287 19.000 0.254 0.000 1.146 31 A HN -0.135 nan 8.150 nan 0.000 0.488 32 P HA -0.023 nan 4.420 nan 0.000 0.260 32 P C 0.041 177.298 177.300 -0.072 0.000 1.185 32 P CA 0.753 63.789 63.100 -0.107 0.000 0.763 32 P CB 0.204 31.852 31.700 -0.088 0.000 0.776 33 N N 1.110 119.747 118.700 -0.105 0.000 2.732 33 N HA -0.227 4.513 4.740 -0.000 0.000 0.250 33 N C 0.339 175.837 175.510 -0.020 0.000 1.097 33 N CA 1.359 54.373 53.050 -0.060 0.000 0.812 33 N CB -1.448 37.022 38.487 -0.027 0.000 1.148 33 N HN 0.514 nan 8.380 nan 0.000 0.572 34 D N -1.274 119.129 120.400 0.004 0.000 2.474 34 D HA 0.111 4.751 4.640 -0.000 0.000 0.213 34 D C 1.353 177.684 176.300 0.051 0.000 1.120 34 D CA -0.256 53.763 54.000 0.032 0.000 0.836 34 D CB 0.006 40.829 40.800 0.038 0.000 1.019 34 D HN 0.345 nan 8.370 nan 0.000 0.507 35 W N 0.435 121.625 121.300 -0.184 0.000 2.318 35 W HA -0.317 4.343 4.660 -0.000 0.000 0.313 35 W C 0.892 177.334 176.519 -0.128 0.000 1.221 35 W CA 1.152 58.374 57.345 -0.205 0.000 1.266 35 W CB -0.189 29.143 29.460 -0.214 0.000 1.150 35 W HN 0.074 nan 8.180 nan 0.000 0.496 36 Y N 0.737 121.049 120.300 0.019 0.000 2.274 36 Y HA -0.226 4.324 4.550 -0.000 0.000 0.290 36 Y C 2.336 178.149 175.900 -0.145 0.000 1.145 36 Y CA 1.264 59.311 58.100 -0.088 0.000 1.203 36 Y CB -1.533 36.931 38.460 0.006 0.000 0.984 36 Y HN 0.025 nan 8.280 nan 0.000 0.533 37 N N 0.284 118.996 118.700 0.020 0.000 2.142 37 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 37 N C 1.979 177.409 175.510 -0.133 0.000 1.023 37 N CA 1.362 54.392 53.050 -0.033 0.000 0.852 37 N CB -0.524 37.954 38.487 -0.015 0.000 0.998 37 N HN 0.341 nan 8.380 nan 0.000 0.424 38 I N 1.203 121.622 120.570 -0.252 0.000 2.163 38 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 38 I C 2.112 177.976 176.117 -0.423 0.000 1.085 38 I CA 0.935 62.001 61.300 -0.390 0.000 1.347 38 I CB -0.254 37.371 38.000 -0.625 0.000 1.044 38 I HN 0.057 nan 8.210 nan 0.000 0.408 39 L N 0.124 121.042 121.223 -0.509 0.000 2.083 39 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 39 L C 2.764 179.531 176.870 -0.173 0.000 1.083 39 L CA 1.223 55.856 54.840 -0.345 0.000 0.752 39 L CB -0.597 41.264 42.059 -0.330 0.000 0.899 39 L HN 0.246 nan 8.230 nan 0.000 0.433 40 R N 0.323 120.746 120.500 -0.129 0.000 2.081 40 R HA -0.205 4.135 4.340 -0.000 0.000 0.235 40 R C 2.269 178.522 176.300 -0.078 0.000 1.131 40 R CA 1.610 57.663 56.100 -0.079 0.000 0.960 40 R CB -0.079 30.191 30.300 -0.050 0.000 0.856 40 R HN 0.392 nan 8.270 nan 0.000 0.436 41 Q N -0.630 119.113 119.800 -0.095 0.000 2.224 41 Q HA -0.103 4.237 4.340 -0.000 0.000 0.203 41 Q C 1.795 177.741 176.000 -0.089 0.000 0.970 41 Q CA 1.019 56.773 55.803 -0.083 0.000 0.865 41 Q CB 0.287 28.976 28.738 -0.082 0.000 0.922 41 Q HN 0.315 nan 8.270 nan 0.000 0.445 42 Q N -0.738 118.992 119.800 -0.116 0.000 2.408 42 Q HA 0.151 4.491 4.340 -0.000 0.000 0.205 42 Q C 1.838 177.790 176.000 -0.080 0.000 0.919 42 Q CA 0.651 56.380 55.803 -0.124 0.000 0.932 42 Q CB 0.170 28.805 28.738 -0.172 0.000 1.058 42 Q HN 0.338 nan 8.270 nan 0.000 0.517 43 A N 1.581 124.366 122.820 -0.059 0.000 1.915 43 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 43 A C 2.293 179.874 177.584 -0.005 0.000 1.198 43 A CA 2.362 54.382 52.037 -0.029 0.000 0.647 43 A CB -0.748 18.231 19.000 -0.035 0.000 0.825 43 A HN 0.382 nan 8.150 nan 0.000 0.456 44 A N -1.633 121.178 122.820 -0.014 0.000 1.902 44 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 44 A C 2.317 179.908 177.584 0.012 0.000 1.181 44 A CA 2.311 54.346 52.037 -0.003 0.000 0.623 44 A CB -1.237 17.756 19.000 -0.012 0.000 0.818 44 A HN 0.473 nan 8.150 nan 0.000 0.443 45 T N 0.398 114.954 114.554 0.002 0.000 2.708 45 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 45 T C 1.811 176.572 174.700 0.103 0.000 1.037 45 T CA 1.525 63.640 62.100 0.026 0.000 1.146 45 T CB -0.414 68.437 68.868 -0.029 0.000 0.865 45 T HN 0.421 nan 8.240 nan 0.000 0.435 46 I N 1.326 121.962 120.570 0.110 0.000 2.208 46 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 46 I C 2.912 179.189 176.117 0.268 0.000 1.097 46 I CA 1.197 62.660 61.300 0.272 0.000 1.363 46 I CB -0.483 37.620 38.000 0.172 0.000 1.051 46 I HN 0.206 nan 8.210 nan 0.000 0.413 47 A N 0.691 123.591 122.820 0.133 0.000 1.898 47 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 47 A C 2.536 180.146 177.584 0.044 0.000 1.181 47 A CA 1.730 53.818 52.037 0.084 0.000 0.620 47 A CB -0.805 18.220 19.000 0.042 0.000 0.819 47 A HN 0.427 nan 8.150 nan 0.000 0.442 48 A N -0.150 122.691 122.820 0.034 0.000 1.972 48 A HA -0.152 4.167 4.320 -0.000 0.000 0.219 48 A C 1.628 179.195 177.584 -0.029 0.000 1.169 48 A CA 1.795 53.832 52.037 0.001 0.000 0.635 48 A CB -0.499 18.505 19.000 0.008 0.000 0.810 48 A HN 0.441 nan 8.150 nan 0.000 0.446 49 D N -1.344 119.049 120.400 -0.012 0.000 2.269 49 D HA 0.154 4.794 4.640 -0.000 0.000 0.208 49 D C 1.472 177.564 176.300 -0.346 0.000 0.963 49 D CA 1.454 55.378 54.000 -0.126 0.000 0.864 49 D CB -0.005 40.803 40.800 0.012 0.000 0.936 49 D HN 0.639 nan 8.370 nan 0.000 0.505 50 G N -0.545 108.094 108.800 -0.267 0.000 2.192 50 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.193 50 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.193 50 G C 0.004 174.722 174.900 -0.304 0.000 0.999 50 G CA -0.590 44.330 45.100 -0.301 0.000 0.659 50 G HN 0.141 nan 8.290 nan 0.000 0.503 51 F N 1.986 121.929 119.950 -0.011 0.000 2.443 51 F HA 0.480 5.006 4.527 -0.000 0.000 0.353 51 F C 1.725 177.508 175.800 -0.028 0.000 1.101 51 F CA 0.248 58.243 58.000 -0.008 0.000 1.226 51 F CB 1.698 40.716 39.000 0.030 0.000 1.140 51 F HN 0.143 nan 8.300 nan 0.000 0.557 52 S N 0.952 116.735 115.700 0.138 0.000 2.524 52 S HA 0.672 5.142 4.470 -0.000 0.000 0.215 52 S C 0.294 174.877 174.600 -0.028 0.000 0.986 52 S CA 0.242 58.455 58.200 0.021 0.000 0.911 52 S CB 0.003 63.182 63.200 -0.034 0.000 0.805 52 S HN 0.768 nan 8.310 nan 0.000 0.501 53 A N 0.496 123.319 122.820 0.005 0.000 2.612 53 A HA 0.756 5.076 4.320 -0.000 0.000 0.293 53 A C -1.653 175.920 177.584 -0.018 0.000 1.075 53 A CA -0.727 51.265 52.037 -0.074 0.000 0.680 53 A CB 1.033 19.906 19.000 -0.211 0.000 1.279 53 A HN 0.492 nan 8.150 nan 0.000 0.411 54 I N 0.768 121.319 120.570 -0.031 0.000 2.533 54 I HA 0.552 4.722 4.170 -0.000 0.000 0.290 54 I C -1.537 174.633 176.117 0.089 0.000 1.056 54 I CA -0.637 60.674 61.300 0.018 0.000 1.057 54 I CB 1.367 39.363 38.000 -0.006 0.000 1.240 54 I HN 0.860 nan 8.210 nan 0.000 0.423 55 W N 9.913 131.213 121.300 0.000 0.000 2.357 55 W HA 0.408 5.068 4.660 -0.000 0.000 0.317 55 W C -1.285 175.322 176.519 0.147 0.000 1.101 55 W CA -1.342 56.046 57.345 0.072 0.000 1.380 55 W CB 0.565 30.134 29.460 0.182 0.000 1.266 55 W HN 0.299 nan 8.180 nan 0.000 0.419 56 M N 8.473 128.224 119.600 0.251 0.000 2.247 56 M HA 0.275 4.754 4.480 -0.000 0.000 0.326 56 M C -1.633 174.609 176.300 -0.097 0.000 1.134 56 M CA -2.160 53.153 55.300 0.022 0.000 1.136 56 M CB 0.193 32.652 32.600 -0.235 0.000 1.454 56 M HN 0.221 nan 8.290 nan 0.000 0.467 57 P HA 0.119 nan 4.420 nan 0.000 0.274 57 P C -0.517 176.388 177.300 -0.659 0.000 1.260 57 P CA -0.521 61.776 63.100 -1.339 0.000 0.793 57 P CB 0.197 30.674 31.700 -2.039 0.000 1.048 58 V N 2.940 122.457 119.914 -0.662 0.000 2.493 58 V HA -0.002 4.118 4.120 -0.000 0.000 0.292 58 V C -0.860 174.964 176.094 -0.451 0.000 1.016 58 V CA -0.227 61.736 62.300 -0.563 0.000 1.097 58 V CB -0.065 31.411 31.823 -0.579 0.000 0.947 58 V HN 0.644 nan 8.190 nan 0.000 0.479 59 P HA -0.036 nan 4.420 nan 0.000 0.227 59 P C 0.106 177.302 177.300 -0.173 0.000 1.161 59 P CA 0.371 63.267 63.100 -0.339 0.000 0.788 59 P CB 0.241 31.585 31.700 -0.594 0.000 0.822 60 W N 3.897 125.024 121.300 -0.288 0.000 2.368 60 W HA 0.154 4.813 4.660 -0.000 0.000 0.316 60 W C 1.142 177.528 176.519 -0.222 0.000 1.375 60 W CA -0.971 56.213 57.345 -0.268 0.000 1.261 60 W CB -0.662 28.552 29.460 -0.410 0.000 1.298 60 W HN 0.063 nan 8.180 nan 0.000 0.539 61 R N 1.911 122.344 120.500 -0.112 0.000 2.585 61 R HA 0.131 4.470 4.340 -0.000 0.000 0.275 61 R C -0.412 175.533 176.300 -0.591 0.000 1.018 61 R CA -0.072 55.791 56.100 -0.395 0.000 1.072 61 R CB 0.537 30.482 30.300 -0.593 0.000 0.953 61 R HN 0.271 nan 8.270 nan 0.000 0.419 62 D N 3.356 123.464 120.400 -0.487 0.000 2.542 62 D HA 0.197 4.837 4.640 -0.000 0.000 0.252 62 D C -1.146 175.074 176.300 -0.134 0.000 1.222 62 D CA -0.865 52.979 54.000 -0.260 0.000 0.895 62 D CB 0.761 41.564 40.800 0.006 0.000 1.207 62 D HN 0.527 nan 8.370 nan 0.000 0.558 63 F N 1.380 121.339 119.950 0.016 0.000 2.791 63 F HA 0.197 4.724 4.527 -0.000 0.000 0.308 63 F C 1.297 177.132 175.800 0.059 0.000 1.138 63 F CA -0.810 57.184 58.000 -0.011 0.000 1.294 63 F CB -0.539 38.440 39.000 -0.035 0.000 0.975 63 F HN 0.143 nan 8.300 nan 0.000 0.512 64 S N -0.714 115.150 115.700 0.274 0.000 2.596 64 S HA 0.568 5.038 4.470 -0.000 0.000 0.260 64 S C 0.235 174.998 174.600 0.273 0.000 1.336 64 S CA -0.345 58.066 58.200 0.352 0.000 0.993 64 S CB 1.755 65.262 63.200 0.511 0.000 0.923 64 S HN 0.128 nan 8.310 nan 0.000 0.567 65 S N 1.152 117.017 115.700 0.276 0.000 2.543 65 S HA 0.647 5.117 4.470 -0.000 0.000 0.273 65 S C -1.785 172.955 174.600 0.233 0.000 1.152 65 S CA -0.817 57.470 58.200 0.146 0.000 0.910 65 S CB 0.789 64.048 63.200 0.098 0.000 1.105 65 S HN 0.947 nan 8.310 nan 0.000 0.465 66 W N 1.468 122.822 121.300 0.091 0.000 3.074 66 W HA 0.805 5.465 4.660 -0.000 0.000 0.332 66 W C -1.556 175.003 176.519 0.066 0.000 1.253 66 W CA -0.787 56.598 57.345 0.066 0.000 1.180 66 W CB 0.990 30.480 29.460 0.050 0.000 1.445 66 W HN 0.668 nan 8.180 nan 0.000 0.573 67 S N 1.336 117.316 115.700 0.468 0.000 2.563 67 S HA 0.350 4.820 4.470 -0.000 0.000 0.279 67 S C -2.051 172.755 174.600 0.344 0.000 1.155 67 S CA -0.467 57.898 58.200 0.276 0.000 0.928 67 S CB 1.202 64.439 63.200 0.062 0.000 1.107 67 S HN 0.548 nan 8.310 nan 0.000 0.462 68 D N 2.181 122.792 120.400 0.351 0.000 2.328 68 D HA 0.593 5.233 4.640 -0.000 0.000 0.243 68 D C 0.735 177.137 176.300 0.171 0.000 1.324 68 D CA 0.122 54.253 54.000 0.219 0.000 0.966 68 D CB 0.546 41.444 40.800 0.163 0.000 1.324 68 D HN 0.923 nan 8.370 nan 0.000 0.549 69 G N 2.196 111.065 108.800 0.115 0.000 2.596 69 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.258 69 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.258 69 G C 1.210 176.159 174.900 0.082 0.000 1.207 69 G CA 0.351 45.503 45.100 0.087 0.000 0.954 69 G HN 1.089 nan 8.290 nan 0.000 0.551 70 S N 0.355 116.107 115.700 0.087 0.000 2.436 70 S HA 0.213 4.682 4.470 -0.000 0.000 0.228 70 S C 1.019 175.668 174.600 0.082 0.000 1.014 70 S CA 1.580 59.827 58.200 0.078 0.000 0.950 70 S CB 0.131 63.383 63.200 0.087 0.000 0.784 70 S HN 0.648 nan 8.310 nan 0.000 0.504 71 K N 2.490 122.967 120.400 0.128 0.000 2.297 71 K HA 0.429 4.749 4.320 -0.000 0.000 0.286 71 K C -0.244 176.354 176.600 -0.002 0.000 1.053 71 K CA -0.151 56.232 56.287 0.159 0.000 0.940 71 K CB 1.009 33.723 32.500 0.357 0.000 1.019 71 K HN 0.440 nan 8.250 nan 0.000 0.475 72 S N 1.178 116.691 115.700 -0.310 0.000 2.618 72 S HA 0.889 5.359 4.470 -0.000 0.000 0.277 72 S C -0.353 173.545 174.600 -1.169 0.000 1.138 72 S CA -0.586 57.102 58.200 -0.854 0.000 0.844 72 S CB 2.297 65.261 63.200 -0.394 0.000 1.127 72 S HN 0.709 nan 8.310 nan 0.000 0.474 73 G N -0.929 106.867 108.800 -1.672 0.000 2.561 73 G HA2 0.840 4.800 3.960 -0.000 0.000 0.310 73 G HA3 0.840 4.800 3.960 -0.000 0.000 0.310 73 G C -0.139 174.416 174.900 -0.575 0.000 1.292 73 G CA -0.068 44.534 45.100 -0.829 0.000 0.811 73 G HN 2.266 nan 8.290 nan 0.000 0.482 74 G N -2.738 106.049 108.800 -0.023 0.000 2.525 74 G HA2 0.558 4.518 3.960 -0.000 0.000 0.685 74 G HA3 0.558 4.518 3.960 -0.000 0.000 0.685 74 G C 0.957 175.855 174.900 -0.003 0.000 1.285 74 G CA 1.089 46.266 45.100 0.129 0.000 0.849 74 G HN 2.707 nan 8.290 nan 0.000 0.653 75 G N -0.371 108.465 108.800 0.060 0.000 2.159 75 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.256 75 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.256 75 G C 0.795 175.593 174.900 -0.170 0.000 0.977 75 G CA 1.259 46.345 45.100 -0.024 0.000 0.652 75 G HN 1.358 nan 8.290 nan 0.000 0.531 76 E N -0.540 119.559 120.200 -0.168 0.000 2.358 76 E HA 0.391 4.741 4.350 -0.000 0.000 0.195 76 E C 2.136 178.669 176.600 -0.110 0.000 1.010 76 E CA 1.491 57.749 56.400 -0.236 0.000 0.856 76 E CB -0.049 29.354 29.700 -0.494 0.000 0.795 76 E HN 1.508 nan 8.360 nan 0.000 0.504 77 G N -0.509 108.243 108.800 -0.080 0.000 2.284 77 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.201 77 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.201 77 G C 0.603 175.409 174.900 -0.157 0.000 0.998 77 G CA -0.067 44.921 45.100 -0.186 0.000 0.651 77 G HN 0.254 nan 8.290 nan 0.000 0.489 78 Y N -0.596 119.944 120.300 0.400 0.000 2.578 78 Y HA 0.558 5.108 4.550 -0.000 0.000 0.297 78 Y C 1.091 177.351 175.900 0.601 0.000 1.176 78 Y CA 0.214 58.606 58.100 0.487 0.000 1.315 78 Y CB 0.190 38.932 38.460 0.470 0.000 1.031 78 Y HN 0.209 nan 8.280 nan 0.000 0.524 79 F N 1.187 121.347 119.950 0.349 0.000 2.566 79 F HA 0.236 4.762 4.527 -0.000 0.000 0.352 79 F C -0.177 175.680 175.800 0.096 0.000 1.534 79 F CA -2.023 56.098 58.000 0.202 0.000 1.097 79 F CB -0.014 39.119 39.000 0.222 0.000 1.488 79 F HN 0.020 nan 8.300 nan 0.000 0.562 80 W N 1.095 122.420 121.300 0.041 0.000 2.112 80 W HA 0.209 4.869 4.660 -0.000 0.000 0.349 80 W C 0.139 176.532 176.519 -0.211 0.000 1.289 80 W CA 0.106 57.376 57.345 -0.124 0.000 1.256 80 W CB -0.199 29.283 29.460 0.037 0.000 1.148 80 W HN 0.602 nan 8.180 nan 0.000 0.590 81 H N -1.224 117.768 119.070 -0.129 0.000 2.855 81 H HA 0.236 4.791 4.556 -0.000 0.000 0.259 81 H C -0.681 174.576 175.328 -0.118 0.000 0.972 81 H CA 0.466 56.361 56.048 -0.256 0.000 1.213 81 H CB 0.299 29.911 29.762 -0.250 0.000 1.451 81 H HN 0.332 nan 8.280 nan 0.000 0.484 82 D N -1.229 119.126 120.400 -0.076 0.000 2.692 82 D HA 0.063 4.703 4.640 -0.000 0.000 0.290 82 D C -0.682 175.452 176.300 -0.278 0.000 1.281 82 D CA -0.940 52.928 54.000 -0.221 0.000 0.804 82 D CB -0.015 40.683 40.800 -0.170 0.000 1.331 82 D HN -0.047 nan 8.370 nan 0.000 0.432 83 F N -0.214 119.484 119.950 -0.420 0.000 2.804 83 F HA 0.220 4.746 4.527 -0.000 0.000 0.303 83 F C 1.175 176.817 175.800 -0.264 0.000 1.154 83 F CA -0.625 57.013 58.000 -0.603 0.000 1.401 83 F CB -1.056 37.497 39.000 -0.744 0.000 1.106 83 F HN 0.308 nan 8.300 nan 0.000 0.568 84 N N 1.928 120.604 118.700 -0.039 0.000 2.483 84 N HA -0.066 4.674 4.740 -0.000 0.000 0.264 84 N C 0.853 176.355 175.510 -0.013 0.000 1.197 84 N CA 0.260 53.300 53.050 -0.017 0.000 0.927 84 N CB 0.798 39.278 38.487 -0.011 0.000 1.065 84 N HN 0.084 nan 8.380 nan 0.000 0.461 85 K N 2.376 122.778 120.400 0.003 0.000 2.444 85 K HA 0.045 4.364 4.320 -0.000 0.000 0.193 85 K C -0.315 176.341 176.600 0.093 0.000 1.024 85 K CA 0.122 56.415 56.287 0.010 0.000 1.077 85 K CB -0.355 32.094 32.500 -0.086 0.000 0.833 85 K HN 0.490 nan 8.250 nan 0.000 0.517 86 N N 1.611 120.369 118.700 0.098 0.000 2.968 86 N HA 0.122 4.862 4.740 -0.000 0.000 0.271 86 N C 0.162 175.780 175.510 0.179 0.000 1.174 86 N CA -0.240 52.902 53.050 0.152 0.000 1.096 86 N CB 0.975 39.554 38.487 0.152 0.000 1.403 86 N HN 0.172 nan 8.380 nan 0.000 0.522 87 G N -0.134 108.759 108.800 0.154 0.000 2.990 87 G HA2 0.200 4.160 3.960 -0.000 0.000 0.208 87 G HA3 0.200 4.160 3.960 -0.000 0.000 0.208 87 G C 0.690 175.677 174.900 0.145 0.000 1.334 87 G CA -0.519 44.659 45.100 0.130 0.000 1.024 87 G HN 0.302 nan 8.290 nan 0.000 0.574 88 R N -0.953 119.545 120.500 -0.003 0.000 2.299 88 R HA 0.070 4.410 4.340 -0.000 0.000 0.197 88 R C 1.362 177.412 176.300 -0.418 0.000 0.971 88 R CA 0.416 56.397 56.100 -0.199 0.000 1.030 88 R CB -0.029 30.100 30.300 -0.286 0.000 0.932 88 R HN 0.548 nan 8.270 nan 0.000 0.477 89 Y N -0.088 120.052 120.300 -0.267 0.000 2.503 89 Y HA 0.232 4.782 4.550 -0.000 0.000 0.278 89 Y C 1.502 177.039 175.900 -0.604 0.000 1.111 89 Y CA 0.636 58.412 58.100 -0.539 0.000 1.270 89 Y CB 0.700 38.642 38.460 -0.865 0.000 1.063 89 Y HN 0.150 nan 8.280 nan 0.000 0.548 90 G N -0.755 107.956 108.800 -0.149 0.000 2.369 90 G HA2 0.214 4.174 3.960 -0.000 0.000 0.293 90 G HA3 0.214 4.174 3.960 -0.000 0.000 0.293 90 G C -0.898 174.154 174.900 0.253 0.000 1.301 90 G CA -0.623 44.517 45.100 0.066 0.000 0.913 90 G HN 0.194 nan 8.290 nan 0.000 0.540 91 S N -0.837 115.013 115.700 0.249 0.000 2.634 91 S HA 0.419 4.889 4.470 -0.000 0.000 0.261 91 S C 1.088 175.827 174.600 0.231 0.000 1.271 91 S CA 0.749 59.075 58.200 0.210 0.000 0.985 91 S CB 1.691 64.975 63.200 0.141 0.000 0.968 91 S HN 0.814 nan 8.310 nan 0.000 0.568 92 D N 0.737 121.237 120.400 0.167 0.000 2.097 92 D HA -0.158 4.481 4.640 -0.000 0.000 0.195 92 D C 2.076 178.457 176.300 0.135 0.000 0.989 92 D CA 1.536 55.633 54.000 0.163 0.000 0.827 92 D CB -0.451 40.444 40.800 0.159 0.000 0.966 92 D HN 0.681 nan 8.370 nan 0.000 0.456 93 A N 0.731 123.613 122.820 0.102 0.000 1.908 93 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 93 A C 2.239 179.857 177.584 0.056 0.000 1.181 93 A CA 1.762 53.836 52.037 0.062 0.000 0.627 93 A CB -0.750 18.281 19.000 0.052 0.000 0.818 93 A HN 0.369 nan 8.150 nan 0.000 0.445 94 Q N -0.782 119.077 119.800 0.099 0.000 2.167 94 Q HA -0.026 4.314 4.340 -0.000 0.000 0.202 94 Q C 2.122 178.134 176.000 0.020 0.000 0.970 94 Q CA 1.088 56.959 55.803 0.114 0.000 0.855 94 Q CB -0.241 28.632 28.738 0.226 0.000 0.911 94 Q HN 0.699 nan 8.270 nan 0.000 0.438 95 L N 0.599 121.766 121.223 -0.094 0.000 2.027 95 L HA -0.200 4.139 4.340 -0.000 0.000 0.206 95 L C 2.238 179.013 176.870 -0.158 0.000 1.074 95 L CA 1.498 56.055 54.840 -0.471 0.000 0.745 95 L CB -0.127 41.639 42.059 -0.489 0.000 0.898 95 L HN 0.215 nan 8.230 nan 0.000 0.433 96 R N -0.529 119.958 120.500 -0.022 0.000 2.091 96 R HA -0.232 4.108 4.340 -0.000 0.000 0.238 96 R C 2.240 178.509 176.300 -0.053 0.000 1.136 96 R CA 1.879 57.955 56.100 -0.040 0.000 0.959 96 R CB -0.331 29.916 30.300 -0.089 0.000 0.856 96 R HN 0.535 nan 8.270 nan 0.000 0.437 97 Q N -0.016 119.759 119.800 -0.042 0.000 2.050 97 Q HA -0.121 4.218 4.340 -0.000 0.000 0.202 97 Q C 2.271 178.244 176.000 -0.045 0.000 0.980 97 Q CA 1.676 57.458 55.803 -0.034 0.000 0.840 97 Q CB -0.182 28.548 28.738 -0.014 0.000 0.898 97 Q HN 0.390 nan 8.270 nan 0.000 0.424 98 A N 1.066 123.850 122.820 -0.060 0.000 1.865 98 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 98 A C 2.294 179.829 177.584 -0.081 0.000 1.191 98 A CA 1.834 53.826 52.037 -0.075 0.000 0.623 98 A CB -1.037 17.905 19.000 -0.096 0.000 0.826 98 A HN 0.421 nan 8.150 nan 0.000 0.444 99 A N -1.267 121.503 122.820 -0.082 0.000 1.969 99 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 99 A C 2.439 179.995 177.584 -0.047 0.000 1.169 99 A CA 2.065 54.068 52.037 -0.057 0.000 0.635 99 A CB -0.773 18.237 19.000 0.017 0.000 0.810 99 A HN 0.516 nan 8.150 nan 0.000 0.445 100 S N -0.658 115.015 115.700 -0.045 0.000 2.371 100 S HA 0.040 4.509 4.470 -0.000 0.000 0.224 100 S C 2.207 176.784 174.600 -0.038 0.000 1.029 100 S CA 1.341 59.516 58.200 -0.041 0.000 0.978 100 S CB -0.400 62.775 63.200 -0.042 0.000 0.833 100 S HN 0.757 nan 8.310 nan 0.000 0.466 101 A N 1.626 124.422 122.820 -0.040 0.000 1.877 101 A HA 0.028 4.348 4.320 -0.000 0.000 0.216 101 A C 2.062 179.624 177.584 -0.036 0.000 1.186 101 A CA 1.265 53.280 52.037 -0.037 0.000 0.620 101 A CB -0.850 18.126 19.000 -0.040 0.000 0.822 101 A HN 0.486 nan 8.150 nan 0.000 0.443 102 L N -0.056 121.140 121.223 -0.044 0.000 1.989 102 L HA -0.115 4.225 4.340 -0.000 0.000 0.211 102 L C 2.727 179.575 176.870 -0.036 0.000 1.071 102 L CA 2.141 56.956 54.840 -0.041 0.000 0.749 102 L CB -1.749 40.274 42.059 -0.060 0.000 0.890 102 L HN 0.416 nan 8.230 nan 0.000 0.431 103 G N -1.390 107.384 108.800 -0.043 0.000 2.432 103 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.219 103 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.219 103 G C 1.596 176.480 174.900 -0.026 0.000 1.135 103 G CA 0.740 45.817 45.100 -0.038 0.000 0.767 103 G HN 0.535 nan 8.290 nan 0.000 0.550 104 G N 0.960 109.745 108.800 -0.025 0.000 2.402 104 G HA2 0.092 4.052 3.960 -0.000 0.000 0.216 104 G HA3 0.092 4.052 3.960 -0.000 0.000 0.216 104 G C 1.814 176.706 174.900 -0.014 0.000 1.162 104 G CA 1.220 46.309 45.100 -0.019 0.000 0.777 104 G HN 0.641 nan 8.290 nan 0.000 0.539 105 A N -0.206 122.605 122.820 -0.014 0.000 2.235 105 A HA 0.461 4.780 4.320 -0.000 0.000 0.208 105 A C 1.935 179.517 177.584 -0.003 0.000 1.172 105 A CA 1.255 53.288 52.037 -0.007 0.000 0.786 105 A CB -0.596 18.403 19.000 -0.002 0.000 0.804 105 A HN 1.631 nan 8.150 nan 0.000 0.479 106 G N -1.654 107.141 108.800 -0.008 0.000 2.136 106 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.242 106 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.242 106 G C 0.023 174.915 174.900 -0.012 0.000 0.989 106 G CA 0.135 45.230 45.100 -0.009 0.000 0.682 106 G HN 0.857 nan 8.290 nan 0.000 0.522 107 V N 1.144 121.049 119.914 -0.015 0.000 2.350 107 V HA 0.362 4.482 4.120 -0.000 0.000 0.276 107 V C 0.840 176.897 176.094 -0.062 0.000 1.028 107 V CA -0.839 61.450 62.300 -0.019 0.000 0.860 107 V CB 1.386 33.216 31.823 0.011 0.000 0.990 107 V HN 0.338 nan 8.190 nan 0.000 0.453 108 K N 2.914 123.255 120.400 -0.097 0.000 2.382 108 K HA 0.335 4.655 4.320 -0.000 0.000 0.275 108 K C -0.175 176.324 176.600 -0.168 0.000 1.009 108 K CA -0.131 56.070 56.287 -0.143 0.000 0.970 108 K CB 1.437 33.809 32.500 -0.212 0.000 0.934 108 K HN 0.600 nan 8.250 nan 0.000 0.479 109 V N 4.260 124.047 119.914 -0.212 0.000 2.370 109 V HA 0.402 4.522 4.120 -0.000 0.000 0.283 109 V C -0.777 175.053 176.094 -0.440 0.000 1.023 109 V CA -0.729 61.374 62.300 -0.328 0.000 0.857 109 V CB 0.567 32.165 31.823 -0.376 0.000 0.985 109 V HN 0.549 nan 8.190 nan 0.000 0.443 110 L N 7.133 128.126 121.223 -0.384 0.000 2.296 110 L HA 0.552 4.892 4.340 -0.000 0.000 0.286 110 L C -0.955 175.676 176.870 -0.398 0.000 1.023 110 L CA -0.537 54.100 54.840 -0.338 0.000 0.812 110 L CB 1.347 43.346 42.059 -0.099 0.000 1.223 110 L HN 0.626 nan 8.230 nan 0.000 0.421 111 Y N 0.846 120.996 120.300 -0.250 0.000 2.334 111 Y HA 0.207 4.757 4.550 -0.000 0.000 0.328 111 Y C 0.456 176.261 175.900 -0.159 0.000 1.130 111 Y CA -0.521 57.476 58.100 -0.172 0.000 1.163 111 Y CB 1.096 39.431 38.460 -0.208 0.000 1.207 111 Y HN 0.455 nan 8.280 nan 0.000 0.471 112 D N 2.648 123.071 120.400 0.038 0.000 2.348 112 D HA 0.309 4.949 4.640 -0.000 0.000 0.253 112 D C -1.075 175.035 176.300 -0.317 0.000 1.161 112 D CA 0.088 54.080 54.000 -0.014 0.000 0.876 112 D CB 0.854 41.810 40.800 0.261 0.000 1.160 112 D HN 0.373 nan 8.370 nan 0.000 0.459 113 V N 1.507 121.187 119.914 -0.391 0.000 2.656 113 V HA 0.589 4.708 4.120 -0.000 0.000 0.307 113 V C -0.336 175.631 176.094 -0.211 0.000 1.051 113 V CA -0.865 61.054 62.300 -0.634 0.000 0.893 113 V CB 1.913 33.298 31.823 -0.730 0.000 0.999 113 V HN 0.199 nan 8.190 nan 0.000 0.426 114 V N 5.587 125.461 119.914 -0.067 0.000 2.225 114 V HA 0.358 4.477 4.120 -0.000 0.000 0.264 114 V C -1.709 174.607 176.094 0.370 0.000 1.067 114 V CA -1.033 61.441 62.300 0.290 0.000 0.903 114 V CB 0.804 32.903 31.823 0.460 0.000 1.136 114 V HN 0.854 nan 8.190 nan 0.000 0.456 115 P HA -0.013 nan 4.420 nan 0.000 0.231 115 P C 1.407 178.623 177.300 -0.140 0.000 1.168 115 P CA 0.753 63.474 63.100 -0.633 0.000 0.779 115 P CB 0.370 31.440 31.700 -1.051 0.000 0.844 116 N N -0.023 118.779 118.700 0.170 0.000 2.142 116 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 116 N C 0.760 176.483 175.510 0.354 0.000 1.023 116 N CA 0.920 54.209 53.050 0.400 0.000 0.852 116 N CB -0.039 38.861 38.487 0.689 0.000 0.998 116 N HN 0.271 nan 8.380 nan 0.000 0.424 117 H N -2.899 116.363 119.070 0.321 0.000 2.933 117 H HA 0.428 4.984 4.556 -0.000 0.000 0.310 117 H C -0.944 174.304 175.328 -0.134 0.000 1.351 117 H CA -1.021 55.140 56.048 0.188 0.000 1.137 117 H CB 0.746 30.643 29.762 0.225 0.000 1.853 117 H HN 0.107 nan 8.280 nan 0.000 0.539 118 M N 0.068 119.507 119.600 -0.268 0.000 2.644 118 M HA 0.362 4.842 4.480 -0.000 0.000 0.273 118 M C -1.722 174.008 176.300 -0.949 0.000 1.253 118 M CA -0.797 53.865 55.300 -1.063 0.000 0.852 118 M CB 2.788 34.595 32.600 -1.322 0.000 1.708 118 M HN 0.578 nan 8.290 nan 0.000 0.471 119 N N 1.280 119.315 118.700 -1.109 0.000 2.819 119 N HA 0.121 4.861 4.740 -0.000 0.000 0.284 119 N C 0.811 176.131 175.510 -0.316 0.000 1.196 119 N CA -0.128 52.372 53.050 -0.917 0.000 1.114 119 N CB 0.432 38.602 38.487 -0.529 0.000 1.437 119 N HN 0.684 nan 8.380 nan 0.000 0.518 120 R N 1.881 122.231 120.500 -0.249 0.000 2.119 120 R HA -0.150 4.190 4.340 -0.000 0.000 0.246 120 R C 1.773 178.002 176.300 -0.117 0.000 1.146 120 R CA 1.980 57.975 56.100 -0.174 0.000 0.962 120 R CB -0.215 29.846 30.300 -0.397 0.000 0.863 120 R HN 0.525 nan 8.270 nan 0.000 0.442 121 G N -1.326 107.441 108.800 -0.055 0.000 2.920 121 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.208 121 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.208 121 G C -0.155 174.743 174.900 -0.004 0.000 1.159 121 G CA -0.392 44.695 45.100 -0.022 0.000 0.784 121 G HN 0.294 nan 8.290 nan 0.000 0.535 122 Y N 2.788 123.035 120.300 -0.089 0.000 2.650 122 Y HA 0.144 4.694 4.550 -0.000 0.000 0.331 122 Y C -0.694 175.133 175.900 -0.121 0.000 1.165 122 Y CA -2.336 55.688 58.100 -0.126 0.000 1.473 122 Y CB 1.384 39.694 38.460 -0.250 0.000 1.224 122 Y HN 0.018 nan 8.280 nan 0.000 0.533 123 P HA -0.166 nan 4.420 nan 0.000 0.215 123 P C -0.205 176.898 177.300 -0.328 0.000 1.157 123 P CA 1.410 64.258 63.100 -0.419 0.000 0.868 123 P CB 0.299 31.758 31.700 -0.402 0.000 0.788 124 D N 0.194 120.328 120.400 -0.442 0.000 2.460 124 D HA 0.282 4.922 4.640 -0.000 0.000 0.232 124 D C -0.422 175.974 176.300 0.160 0.000 1.079 124 D CA -0.617 53.338 54.000 -0.075 0.000 0.864 124 D CB 0.328 41.111 40.800 -0.029 0.000 1.048 124 D HN 0.129 nan 8.370 nan 0.000 0.523 125 K N 1.357 121.835 120.400 0.131 0.000 2.533 125 K HA 0.444 4.764 4.320 -0.000 0.000 0.272 125 K C -0.043 176.601 176.600 0.073 0.000 0.985 125 K CA -0.870 55.538 56.287 0.202 0.000 0.876 125 K CB 1.421 34.073 32.500 0.253 0.000 1.452 125 K HN -0.013 nan 8.250 nan 0.000 0.439 126 E N 0.628 120.846 120.200 0.031 0.000 2.442 126 E HA 0.138 4.487 4.350 -0.000 0.000 0.195 126 E C -0.066 176.466 176.600 -0.113 0.000 1.030 126 E CA 0.412 56.787 56.400 -0.042 0.000 0.869 126 E CB 0.085 29.749 29.700 -0.060 0.000 0.857 126 E HN 0.373 nan 8.360 nan 0.000 0.505 127 I N 2.007 122.490 120.570 -0.146 0.000 2.382 127 I HA 0.209 4.378 4.170 -0.000 0.000 0.285 127 I C -1.062 174.971 176.117 -0.140 0.000 1.007 127 I CA -0.637 60.529 61.300 -0.224 0.000 1.142 127 I CB 1.290 39.054 38.000 -0.393 0.000 1.289 127 I HN -0.121 nan 8.210 nan 0.000 0.453 128 N N 7.522 126.148 118.700 -0.123 0.000 2.491 128 N HA 0.536 5.276 4.740 -0.000 0.000 0.274 128 N C -1.281 174.195 175.510 -0.057 0.000 1.023 128 N CA -0.482 52.542 53.050 -0.043 0.000 0.902 128 N CB 1.850 40.326 38.487 -0.018 0.000 1.267 128 N HN 0.408 nan 8.380 nan 0.000 0.503 129 L N 3.248 124.490 121.223 0.031 0.000 2.280 129 L HA 0.592 4.932 4.340 -0.000 0.000 0.287 129 L C -1.964 175.178 176.870 0.453 0.000 1.023 129 L CA -1.800 53.046 54.840 0.011 0.000 0.819 129 L CB 1.170 42.994 42.059 -0.392 0.000 1.212 129 L HN 0.300 nan 8.230 nan 0.000 0.420 130 P HA 0.206 nan 4.420 nan 0.000 0.274 130 P C -0.629 176.964 177.300 0.488 0.000 1.246 130 P CA -0.439 62.871 63.100 0.351 0.000 0.795 130 P CB 1.233 33.074 31.700 0.235 0.000 1.006 131 A N 0.352 123.335 122.820 0.272 0.000 2.304 131 A HA 0.540 4.859 4.320 -0.000 0.000 0.271 131 A C 1.270 178.944 177.584 0.151 0.000 1.091 131 A CA 0.246 52.414 52.037 0.217 0.000 0.812 131 A CB -0.840 18.194 19.000 0.057 0.000 1.056 131 A HN 0.873 nan 8.150 nan 0.000 0.489 132 G N -0.351 108.519 108.800 0.117 0.000 2.159 132 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.256 132 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.256 132 G C 0.459 175.350 174.900 -0.015 0.000 0.977 132 G CA 0.645 45.774 45.100 0.049 0.000 0.652 132 G HN 0.720 nan 8.290 nan 0.000 0.531 133 Q N -0.807 118.931 119.800 -0.103 0.000 2.217 133 Q HA 0.370 4.710 4.340 -0.000 0.000 0.217 133 Q C 1.688 177.416 176.000 -0.453 0.000 0.844 133 Q CA 0.670 56.264 55.803 -0.348 0.000 0.957 133 Q CB 1.181 29.526 28.738 -0.654 0.000 1.127 133 Q HN 1.561 nan 8.270 nan 0.000 0.503 134 G N 1.162 109.824 108.800 -0.229 0.000 2.132 134 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.228 134 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.228 134 G C 0.253 175.135 174.900 -0.030 0.000 1.000 134 G CA 0.081 45.153 45.100 -0.047 0.000 0.693 134 G HN 0.286 nan 8.290 nan 0.000 0.515 135 F N -1.100 118.817 119.950 -0.055 0.000 2.512 135 F HA 0.378 4.905 4.527 -0.000 0.000 0.296 135 F C 1.441 176.971 175.800 -0.449 0.000 1.110 135 F CA -0.225 57.541 58.000 -0.390 0.000 1.446 135 F CB -0.060 38.549 39.000 -0.652 0.000 1.092 135 F HN 0.296 nan 8.300 nan 0.000 0.554 136 W N -0.267 121.167 121.300 0.223 0.000 2.639 136 W HA 0.476 5.135 4.660 -0.000 0.000 0.347 136 W C 1.660 178.275 176.519 0.159 0.000 1.067 136 W CA -1.029 56.423 57.345 0.179 0.000 1.218 136 W CB 0.759 30.302 29.460 0.138 0.000 1.393 136 W HN -0.400 nan 8.180 nan 0.000 0.557 137 R N 1.591 122.348 120.500 0.429 0.000 2.091 137 R HA -0.230 4.109 4.340 -0.000 0.000 0.238 137 R C 1.462 177.911 176.300 0.249 0.000 1.136 137 R CA 2.149 58.429 56.100 0.301 0.000 0.959 137 R CB -0.333 30.144 30.300 0.295 0.000 0.856 137 R HN 0.642 nan 8.270 nan 0.000 0.437 138 N N 0.158 119.013 118.700 0.257 0.000 2.501 138 N HA -0.095 4.645 4.740 -0.000 0.000 0.195 138 N C 0.068 175.668 175.510 0.149 0.000 1.213 138 N CA 0.670 53.818 53.050 0.164 0.000 0.864 138 N CB 0.028 38.578 38.487 0.104 0.000 0.999 138 N HN 0.198 nan 8.380 nan 0.000 0.454 139 D N -0.326 120.194 120.400 0.199 0.000 2.347 139 D HA 0.073 4.713 4.640 -0.000 0.000 0.213 139 D C -0.104 176.262 176.300 0.112 0.000 0.985 139 D CA 0.237 54.332 54.000 0.158 0.000 0.879 139 D CB 0.209 41.119 40.800 0.183 0.000 0.919 139 D HN 0.286 nan 8.370 nan 0.000 0.526 140 c N -0.077 118.595 118.600 0.120 0.000 2.668 140 c HA 0.790 5.360 4.570 -0.000 0.000 0.355 140 c C 0.301 174.444 174.090 0.088 0.000 1.277 140 c CA -1.219 55.168 56.329 0.097 0.000 1.787 140 c CB 1.445 44.018 42.510 0.105 0.000 2.233 140 c HN 0.240 nan 8.230 nan 0.000 0.495 141 A N 1.225 124.090 122.820 0.075 0.000 2.454 141 A HA 0.431 4.751 4.320 -0.000 0.000 0.260 141 A C -0.394 177.239 177.584 0.082 0.000 1.106 141 A CA 0.462 52.538 52.037 0.065 0.000 0.780 141 A CB -0.067 18.964 19.000 0.052 0.000 1.044 141 A HN 0.828 nan 8.150 nan 0.000 0.498 142 D N 3.361 123.807 120.400 0.077 0.000 2.458 142 D HA 0.430 5.070 4.640 -0.000 0.000 0.258 142 D C -1.351 174.991 176.300 0.069 0.000 1.134 142 D CA -1.480 52.573 54.000 0.088 0.000 0.915 142 D CB 0.974 41.829 40.800 0.091 0.000 1.028 142 D HN 0.269 nan 8.370 nan 0.000 0.508 143 P HA 0.150 nan 4.420 nan 0.000 0.210 143 P C 0.504 177.833 177.300 0.047 0.000 1.189 143 P CA 0.593 63.722 63.100 0.049 0.000 0.920 143 P CB 0.306 32.032 31.700 0.043 0.000 0.782 144 G N -1.957 106.889 108.800 0.077 0.000 2.815 144 G HA2 0.178 4.138 3.960 -0.000 0.000 0.305 144 G HA3 0.178 4.138 3.960 -0.000 0.000 0.305 144 G C -1.348 173.618 174.900 0.110 0.000 1.277 144 G CA -0.618 44.523 45.100 0.068 0.000 0.795 144 G HN 0.162 nan 8.290 nan 0.000 0.528 145 N N 0.038 118.786 118.700 0.080 0.000 2.744 145 N HA 0.279 5.019 4.740 -0.000 0.000 0.290 145 N C -1.285 174.308 175.510 0.138 0.000 1.206 145 N CA -0.056 53.038 53.050 0.075 0.000 1.119 145 N CB -0.078 38.413 38.487 0.007 0.000 1.449 145 N HN 0.433 nan 8.380 nan 0.000 0.514 146 Y N 2.379 122.696 120.300 0.028 0.000 2.604 146 Y HA 0.351 4.901 4.550 -0.000 0.000 0.331 146 Y C -2.708 173.238 175.900 0.076 0.000 1.158 146 Y CA -1.886 56.239 58.100 0.042 0.000 1.056 146 Y CB 1.560 40.053 38.460 0.054 0.000 1.330 146 Y HN 0.321 nan 8.280 nan 0.000 0.457 147 P HA 0.100 nan 4.420 nan 0.000 0.264 147 P C -1.088 176.310 177.300 0.163 0.000 1.183 147 P CA 0.374 63.417 63.100 -0.096 0.000 0.763 147 P CB 0.438 31.996 31.700 -0.238 0.000 0.807 148 N N 1.345 120.142 118.700 0.162 0.000 2.989 148 N HA 0.203 4.942 4.740 -0.000 0.000 0.338 148 N C 0.135 175.729 175.510 0.141 0.000 1.369 148 N CA -0.365 52.790 53.050 0.176 0.000 0.794 148 N CB 0.120 38.706 38.487 0.165 0.000 1.359 148 N HN 0.072 nan 8.380 nan 0.000 0.609 149 D N -0.760 119.714 120.400 0.122 0.000 2.355 149 D HA 0.106 4.746 4.640 -0.000 0.000 0.218 149 D C 0.244 176.607 176.300 0.105 0.000 1.004 149 D CA 0.480 54.540 54.000 0.100 0.000 0.880 149 D CB -0.132 40.715 40.800 0.079 0.000 0.911 149 D HN 0.409 nan 8.370 nan 0.000 0.528 150 c N 0.623 119.301 118.600 0.130 0.000 2.884 150 c HA 0.212 4.782 4.570 -0.000 0.000 0.287 150 c C 0.150 174.349 174.090 0.182 0.000 1.310 150 c CA -0.507 55.914 56.329 0.154 0.000 1.725 150 c CB -0.292 42.319 42.510 0.168 0.000 2.060 150 c HN 0.129 nan 8.230 nan 0.000 0.618 151 D N 0.482 120.984 120.400 0.170 0.000 2.301 151 D HA 0.083 4.723 4.640 -0.000 0.000 0.203 151 D C -0.553 175.841 176.300 0.156 0.000 1.300 151 D CA -0.047 54.071 54.000 0.197 0.000 0.899 151 D CB 0.544 41.483 40.800 0.232 0.000 1.597 151 D HN 0.206 nan 8.370 nan 0.000 0.538 152 D N 1.860 122.347 120.400 0.146 0.000 2.400 152 D HA 0.327 4.967 4.640 -0.000 0.000 0.243 152 D C 0.723 177.066 176.300 0.071 0.000 1.184 152 D CA -0.178 53.878 54.000 0.092 0.000 0.853 152 D CB 0.188 41.036 40.800 0.081 0.000 0.944 152 D HN 0.371 nan 8.370 nan 0.000 0.501 153 G N -0.965 107.893 108.800 0.096 0.000 2.827 153 G HA2 0.371 4.331 3.960 -0.000 0.000 0.296 153 G HA3 0.371 4.331 3.960 -0.000 0.000 0.296 153 G C -1.049 173.880 174.900 0.048 0.000 1.362 153 G CA -0.831 44.297 45.100 0.047 0.000 0.809 153 G HN -0.036 nan 8.290 nan 0.000 0.522 154 D N 0.001 120.411 120.400 0.018 0.000 2.384 154 D HA 0.347 4.987 4.640 -0.000 0.000 0.244 154 D C 0.833 177.306 176.300 0.288 0.000 1.251 154 D CA 0.082 54.122 54.000 0.067 0.000 0.961 154 D CB 0.740 41.508 40.800 -0.052 0.000 1.116 154 D HN 0.581 nan 8.370 nan 0.000 0.484 155 R N -0.458 120.214 120.500 0.287 0.000 2.828 155 R HA 0.505 4.844 4.340 -0.000 0.000 0.264 155 R C -0.936 175.594 176.300 0.382 0.000 1.022 155 R CA -0.784 55.517 56.100 0.337 0.000 1.021 155 R CB 0.673 31.092 30.300 0.199 0.000 1.163 155 R HN 0.314 nan 8.270 nan 0.000 0.494 156 F N 3.720 123.709 119.950 0.065 0.000 2.350 156 F HA 0.328 4.855 4.527 -0.000 0.000 0.365 156 F C 0.835 176.532 175.800 -0.172 0.000 1.122 156 F CA -0.699 57.151 58.000 -0.249 0.000 1.139 156 F CB -0.393 38.270 39.000 -0.562 0.000 1.220 156 F HN 0.859 nan 8.300 nan 0.000 0.499 157 I N 3.083 123.250 120.570 -0.672 0.000 4.904 157 I HA -0.469 3.700 4.170 -0.000 0.000 0.038 157 I C 1.969 177.897 176.117 -0.316 0.000 0.635 157 I CA 1.589 62.524 61.300 -0.609 0.000 0.225 157 I CB -1.505 35.926 38.000 -0.949 0.000 0.329 157 I HN 0.594 nan 8.210 nan 0.000 0.150 158 G N -0.068 108.553 108.800 -0.298 0.000 2.422 158 G HA2 0.244 4.203 3.960 -0.000 0.000 0.218 158 G HA3 0.244 4.203 3.960 -0.000 0.000 0.218 158 G C 1.230 176.101 174.900 -0.049 0.000 1.140 158 G CA 1.496 46.508 45.100 -0.146 0.000 0.775 158 G HN 1.881 nan 8.290 nan 0.000 0.545 159 G N 0.721 109.517 108.800 -0.008 0.000 2.176 159 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.253 159 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.253 159 G C 0.925 175.913 174.900 0.146 0.000 0.979 159 G CA 0.903 46.072 45.100 0.114 0.000 0.641 159 G HN 0.650 nan 8.290 nan 0.000 0.530 160 D N 0.239 120.693 120.400 0.091 0.000 2.347 160 D HA 0.328 4.968 4.640 -0.000 0.000 0.215 160 D C 1.814 178.168 176.300 0.090 0.000 0.976 160 D CA 1.072 55.109 54.000 0.061 0.000 0.884 160 D CB -0.248 40.552 40.800 -0.000 0.000 0.915 160 D HN 0.873 nan 8.370 nan 0.000 0.526 161 A N 0.111 123.075 122.820 0.240 0.000 2.431 161 A HA 0.164 4.484 4.320 -0.000 0.000 0.239 161 A C 0.007 177.925 177.584 0.556 0.000 1.230 161 A CA -0.430 51.813 52.037 0.344 0.000 0.928 161 A CB 0.113 19.369 19.000 0.426 0.000 1.006 161 A HN -0.069 nan 8.150 nan 0.000 0.520 162 D N 0.366 121.071 120.400 0.508 0.000 2.390 162 D HA 0.429 5.069 4.640 -0.000 0.000 0.249 162 D C -0.180 176.438 176.300 0.530 0.000 1.144 162 D CA 0.601 54.906 54.000 0.508 0.000 0.880 162 D CB 0.769 41.821 40.800 0.420 0.000 1.182 162 D HN 0.254 nan 8.370 nan 0.000 0.451 163 L N 2.460 123.908 121.223 0.375 0.000 2.360 163 L HA 0.292 4.632 4.340 -0.000 0.000 0.271 163 L C 0.637 177.648 176.870 0.235 0.000 1.057 163 L CA -0.817 54.117 54.840 0.157 0.000 0.803 163 L CB 0.798 42.920 42.059 0.106 0.000 1.207 163 L HN 0.311 nan 8.230 nan 0.000 0.445 164 N N 0.506 119.309 118.700 0.173 0.000 2.807 164 N HA -0.009 4.731 4.740 -0.000 0.000 0.259 164 N C 1.067 176.744 175.510 0.277 0.000 1.149 164 N CA -0.049 53.141 53.050 0.232 0.000 1.042 164 N CB 0.492 39.114 38.487 0.224 0.000 1.367 164 N HN 0.690 nan 8.380 nan 0.000 0.516 165 T N -1.318 113.424 114.554 0.314 0.000 2.977 165 T HA -0.068 4.281 4.350 -0.000 0.000 0.271 165 T C 1.666 176.573 174.700 0.345 0.000 1.105 165 T CA 1.057 63.395 62.100 0.397 0.000 1.116 165 T CB -0.246 68.853 68.868 0.385 0.000 0.878 165 T HN 0.329 nan 8.240 nan 0.000 0.509 166 G N -0.250 108.696 108.800 0.242 0.000 2.777 166 G HA2 0.054 4.014 3.960 -0.000 0.000 0.211 166 G HA3 0.054 4.014 3.960 -0.000 0.000 0.211 166 G C 0.368 175.366 174.900 0.163 0.000 1.149 166 G CA -0.401 44.784 45.100 0.142 0.000 0.785 166 G HN 0.746 nan 8.290 nan 0.000 0.536 167 H N 1.278 120.440 119.070 0.153 0.000 3.004 167 H HA 0.175 4.730 4.556 -0.000 0.000 0.316 167 H C -1.105 174.333 175.328 0.183 0.000 1.014 167 H CA -1.237 54.900 56.048 0.149 0.000 1.454 167 H CB 1.530 31.413 29.762 0.202 0.000 1.472 167 H HN -0.068 nan 8.280 nan 0.000 0.571 168 P HA -0.288 nan 4.420 nan 0.000 0.218 168 P C 1.175 178.695 177.300 0.366 0.000 1.154 168 P CA 1.759 64.973 63.100 0.190 0.000 0.872 168 P CB 0.141 31.855 31.700 0.023 0.000 0.790 169 Q N -0.778 119.376 119.800 0.590 0.000 2.245 169 Q HA -0.063 4.277 4.340 -0.000 0.000 0.201 169 Q C 1.712 177.799 176.000 0.144 0.000 0.955 169 Q CA 0.964 56.966 55.803 0.332 0.000 0.870 169 Q CB -0.159 28.779 28.738 0.334 0.000 0.945 169 Q HN 0.049 nan 8.270 nan 0.000 0.461 170 V N 0.299 120.343 119.914 0.218 0.000 2.407 170 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 170 V C 1.902 178.173 176.094 0.295 0.000 1.041 170 V CA 1.568 63.919 62.300 0.086 0.000 1.040 170 V CB -0.772 31.130 31.823 0.131 0.000 0.671 170 V HN 0.466 nan 8.190 nan 0.000 0.455 171 Y N 2.234 122.738 120.300 0.339 0.000 2.128 171 Y HA -0.195 4.354 4.550 -0.000 0.000 0.284 171 Y C 2.353 178.516 175.900 0.437 0.000 1.154 171 Y CA 1.998 60.378 58.100 0.467 0.000 1.149 171 Y CB -0.846 37.727 38.460 0.188 0.000 0.976 171 Y HN 0.197 nan 8.280 nan 0.000 0.505 172 G N 0.363 109.339 108.800 0.294 0.000 2.422 172 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 172 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 172 G C 1.768 176.633 174.900 -0.057 0.000 1.146 172 G CA 0.995 46.179 45.100 0.140 0.000 0.769 172 G HN 0.534 nan 8.290 nan 0.000 0.547 173 M N -0.763 118.763 119.600 -0.124 0.000 2.117 173 M HA 0.031 4.511 4.480 -0.000 0.000 0.262 173 M C 2.206 178.232 176.300 -0.456 0.000 1.065 173 M CA 1.428 56.552 55.300 -0.293 0.000 1.114 173 M CB -0.161 32.192 32.600 -0.411 0.000 1.361 173 M HN 0.206 nan 8.290 nan 0.000 0.408 174 F N 0.066 119.757 119.950 -0.432 0.000 2.163 174 F HA -0.058 4.469 4.527 -0.000 0.000 0.297 174 F C 2.704 177.654 175.800 -1.416 0.000 1.094 174 F CA 1.177 58.542 58.000 -1.060 0.000 1.290 174 F CB -0.889 37.403 39.000 -1.180 0.000 1.017 174 F HN 0.148 nan 8.300 nan 0.000 0.483 175 R N 0.845 120.977 120.500 -0.614 0.000 2.096 175 R HA -0.198 4.142 4.340 -0.000 0.000 0.240 175 R C 1.640 177.768 176.300 -0.287 0.000 1.139 175 R CA 2.260 58.158 56.100 -0.336 0.000 0.952 175 R CB -0.744 29.475 30.300 -0.134 0.000 0.854 175 R HN 0.215 nan 8.270 nan 0.000 0.436 176 D N -0.065 120.170 120.400 -0.276 0.000 2.144 176 D HA -0.148 4.491 4.640 -0.000 0.000 0.200 176 D C 1.818 177.949 176.300 -0.280 0.000 0.978 176 D CA 1.012 54.893 54.000 -0.197 0.000 0.833 176 D CB -0.179 40.534 40.800 -0.144 0.000 0.961 176 D HN 0.259 nan 8.370 nan 0.000 0.470 177 E N -0.022 119.859 120.200 -0.533 0.000 2.106 177 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 177 E C 1.701 178.093 176.600 -0.347 0.000 0.984 177 E CA 0.707 56.715 56.400 -0.654 0.000 0.806 177 E CB -0.287 28.572 29.700 -1.401 0.000 0.750 177 E HN 0.130 nan 8.360 nan 0.000 0.458 178 F N 0.439 120.183 119.950 -0.344 0.000 2.186 178 F HA -0.077 4.449 4.527 -0.000 0.000 0.299 178 F C 2.385 178.176 175.800 -0.016 0.000 1.090 178 F CA 1.482 59.281 58.000 -0.335 0.000 1.307 178 F CB -1.252 37.387 39.000 -0.601 0.000 1.019 178 F HN 0.025 nan 8.300 nan 0.000 0.489 179 T N -0.378 114.255 114.554 0.132 0.000 2.821 179 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 179 T C 1.985 176.754 174.700 0.115 0.000 1.046 179 T CA 1.301 63.481 62.100 0.133 0.000 1.139 179 T CB -0.458 68.456 68.868 0.076 0.000 0.871 179 T HN 0.363 nan 8.240 nan 0.000 0.454 180 N N 0.646 119.384 118.700 0.062 0.000 2.084 180 N HA -0.109 4.630 4.740 -0.000 0.000 0.190 180 N C 1.860 177.493 175.510 0.205 0.000 1.030 180 N CA 0.909 54.012 53.050 0.089 0.000 0.849 180 N CB -0.119 38.378 38.487 0.016 0.000 1.012 180 N HN 0.120 nan 8.380 nan 0.000 0.423 181 L N 1.974 123.298 121.223 0.169 0.000 2.079 181 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 181 L C 2.527 179.557 176.870 0.266 0.000 1.081 181 L CA 1.373 56.314 54.840 0.169 0.000 0.752 181 L CB -0.814 41.288 42.059 0.072 0.000 0.896 181 L HN 0.157 nan 8.230 nan 0.000 0.433 182 R N -1.451 119.210 120.500 0.268 0.000 2.073 182 R HA -0.088 4.252 4.340 -0.000 0.000 0.229 182 R C 2.422 178.800 176.300 0.131 0.000 1.120 182 R CA 1.398 57.619 56.100 0.201 0.000 0.967 182 R CB -0.088 30.343 30.300 0.219 0.000 0.862 182 R HN 0.504 nan 8.270 nan 0.000 0.436 183 S N -0.549 115.221 115.700 0.116 0.000 2.458 183 S HA -0.027 4.443 4.470 -0.000 0.000 0.223 183 S C 1.478 176.073 174.600 -0.008 0.000 1.019 183 S CA 0.456 58.688 58.200 0.053 0.000 0.937 183 S CB 0.370 63.600 63.200 0.049 0.000 0.788 183 S HN 0.312 nan 8.310 nan 0.000 0.511 184 Q N -1.324 118.452 119.800 -0.040 0.000 2.185 184 Q HA 0.266 4.606 4.340 -0.000 0.000 0.234 184 Q C -0.223 175.414 176.000 -0.604 0.000 0.819 184 Q CA 0.109 55.726 55.803 -0.310 0.000 0.961 184 Q CB 0.597 29.065 28.738 -0.450 0.000 1.140 184 Q HN 0.721 nan 8.270 nan 0.000 0.492 185 Y N -0.582 119.712 120.300 -0.009 0.000 2.707 185 Y HA 0.313 4.863 4.550 -0.000 0.000 0.249 185 Y C 1.113 177.078 175.900 0.108 0.000 1.166 185 Y CA -0.072 58.032 58.100 0.008 0.000 1.184 185 Y CB 1.277 39.669 38.460 -0.113 0.000 1.240 185 Y HN 0.124 nan 8.280 nan 0.000 0.547 186 G N 1.290 110.174 108.800 0.140 0.000 2.321 186 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.287 186 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.287 186 G C 0.416 175.367 174.900 0.086 0.000 1.018 186 G CA 0.181 45.332 45.100 0.086 0.000 0.855 186 G HN 0.667 nan 8.290 nan 0.000 0.507 187 A N -0.493 122.426 122.820 0.164 0.000 2.520 187 A HA 0.599 4.919 4.320 -0.000 0.000 0.245 187 A C 1.535 179.046 177.584 -0.122 0.000 1.072 187 A CA 1.166 53.214 52.037 0.018 0.000 0.761 187 A CB 0.660 19.669 19.000 0.015 0.000 1.004 187 A HN 1.561 nan 8.150 nan 0.000 0.499 188 G N 1.081 109.745 108.800 -0.225 0.000 3.192 188 G HA2 0.531 4.491 3.960 -0.000 0.000 0.239 188 G HA3 0.531 4.491 3.960 -0.000 0.000 0.239 188 G C 0.532 175.301 174.900 -0.218 0.000 1.084 188 G CA 0.730 45.725 45.100 -0.174 0.000 0.784 188 G HN 1.793 nan 8.290 nan 0.000 0.540 189 G N -0.892 107.613 108.800 -0.491 0.000 2.341 189 G HA2 0.422 4.382 3.960 -0.000 0.000 0.293 189 G HA3 0.422 4.382 3.960 -0.000 0.000 0.293 189 G C -1.931 172.357 174.900 -1.020 0.000 1.298 189 G CA -0.991 43.792 45.100 -0.529 0.000 0.868 189 G HN 0.143 nan 8.290 nan 0.000 0.540 190 F N -0.255 119.637 119.950 -0.096 0.000 2.588 190 F HA 0.772 5.299 4.527 -0.000 0.000 0.310 190 F C 0.225 175.844 175.800 -0.301 0.000 1.082 190 F CA -0.981 56.820 58.000 -0.331 0.000 0.929 190 F CB 2.407 40.934 39.000 -0.788 0.000 1.254 190 F HN 0.414 nan 8.300 nan 0.000 0.455 191 R N 2.519 122.896 120.500 -0.204 0.000 2.246 191 R HA 0.398 4.738 4.340 -0.000 0.000 0.332 191 R C -1.874 174.313 176.300 -0.188 0.000 0.974 191 R CA -0.438 55.534 56.100 -0.214 0.000 0.837 191 R CB 0.257 30.241 30.300 -0.528 0.000 1.145 191 R HN 0.578 nan 8.270 nan 0.000 0.467 192 F N 4.002 124.000 119.950 0.080 0.000 2.413 192 F HA 0.239 4.765 4.527 -0.000 0.000 0.359 192 F C 1.356 177.295 175.800 0.230 0.000 1.122 192 F CA -0.083 58.021 58.000 0.173 0.000 1.160 192 F CB 0.615 39.789 39.000 0.289 0.000 1.146 192 F HN 0.401 nan 8.300 nan 0.000 0.514 193 N N 3.367 122.323 118.700 0.426 0.000 2.513 193 N HA 0.039 4.779 4.740 -0.000 0.000 0.274 193 N C 0.233 176.066 175.510 0.537 0.000 1.189 193 N CA -0.350 52.976 53.050 0.460 0.000 0.975 193 N CB 0.474 39.270 38.487 0.515 0.000 1.157 193 N HN 0.654 nan 8.380 nan 0.000 0.465 194 F N 2.764 122.849 119.950 0.224 0.000 2.783 194 F HA -0.223 4.304 4.527 -0.000 0.000 0.222 194 F C 0.666 176.448 175.800 -0.031 0.000 1.028 194 F CA 0.191 58.271 58.000 0.133 0.000 0.862 194 F CB -0.966 38.180 39.000 0.244 0.000 0.744 194 F HN 0.347 nan 8.300 nan 0.000 0.850 195 V N 2.436 122.206 119.914 -0.240 0.000 2.867 195 V HA -0.294 3.826 4.120 -0.000 0.000 0.260 195 V C 2.410 178.127 176.094 -0.627 0.000 1.099 195 V CA 2.415 64.398 62.300 -0.529 0.000 1.122 195 V CB -0.545 30.969 31.823 -0.515 0.000 0.708 195 V HN 0.685 nan 8.190 nan 0.000 0.490 196 R N 0.425 120.538 120.500 -0.645 0.000 2.189 196 R HA -0.002 4.338 4.340 -0.000 0.000 0.218 196 R C 2.037 178.064 176.300 -0.456 0.000 1.074 196 R CA 1.369 57.132 56.100 -0.561 0.000 0.991 196 R CB -0.752 29.136 30.300 -0.686 0.000 0.883 196 R HN 0.415 nan 8.270 nan 0.000 0.457 197 G N 0.480 109.024 108.800 -0.427 0.000 2.848 197 G HA2 0.013 3.972 3.960 -0.000 0.000 0.208 197 G HA3 0.013 3.972 3.960 -0.000 0.000 0.208 197 G C -0.213 174.862 174.900 0.291 0.000 1.152 197 G CA 0.215 45.407 45.100 0.152 0.000 0.789 197 G HN 0.525 nan 8.290 nan 0.000 0.531 198 Y N -3.832 116.594 120.300 0.211 0.000 2.713 198 Y HA 0.708 5.257 4.550 -0.000 0.000 0.335 198 Y C -0.135 175.862 175.900 0.163 0.000 1.222 198 Y CA -2.164 56.058 58.100 0.204 0.000 1.061 198 Y CB 0.481 39.111 38.460 0.283 0.000 1.314 198 Y HN 0.100 nan 8.280 nan 0.000 0.453 199 A N 1.918 124.903 122.820 0.274 0.000 2.477 199 A HA 0.433 4.753 4.320 -0.000 0.000 0.246 199 A C -1.979 175.684 177.584 0.131 0.000 1.078 199 A CA -1.085 51.034 52.037 0.137 0.000 0.770 199 A CB -0.194 18.842 19.000 0.059 0.000 1.011 199 A HN 0.680 nan 8.150 nan 0.000 0.494 200 P HA -0.156 nan 4.420 nan 0.000 0.215 200 P C 0.909 178.054 177.300 -0.258 0.000 1.153 200 P CA 1.450 64.406 63.100 -0.240 0.000 0.853 200 P CB 0.185 31.581 31.700 -0.507 0.000 0.788 201 E N -0.876 119.214 120.200 -0.183 0.000 2.160 201 E HA -0.193 4.156 4.350 -0.000 0.000 0.195 201 E C 2.098 178.595 176.600 -0.171 0.000 0.991 201 E CA 0.942 57.237 56.400 -0.175 0.000 0.810 201 E CB -0.573 29.047 29.700 -0.135 0.000 0.742 201 E HN 0.153 nan 8.360 nan 0.000 0.466 202 R N 0.030 120.434 120.500 -0.160 0.000 2.115 202 R HA -0.076 4.264 4.340 -0.000 0.000 0.230 202 R C 1.860 177.993 176.300 -0.278 0.000 1.111 202 R CA 0.830 56.742 56.100 -0.313 0.000 0.976 202 R CB -0.050 30.007 30.300 -0.404 0.000 0.870 202 R HN 0.071 nan 8.270 nan 0.000 0.445 203 V N 1.385 121.249 119.914 -0.082 0.000 2.358 203 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 203 V C 2.192 178.240 176.094 -0.077 0.000 1.047 203 V CA 2.132 64.377 62.300 -0.092 0.000 1.035 203 V CB -0.778 30.885 31.823 -0.267 0.000 0.658 203 V HN 0.544 nan 8.190 nan 0.000 0.452 204 N N -0.219 118.400 118.700 -0.135 0.000 2.120 204 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 204 N C 1.991 177.508 175.510 0.012 0.000 1.024 204 N CA 1.642 54.639 53.050 -0.088 0.000 0.852 204 N CB 0.045 38.445 38.487 -0.145 0.000 1.003 204 N HN 0.423 nan 8.380 nan 0.000 0.424 205 S N 0.112 115.810 115.700 -0.004 0.000 2.356 205 S HA -0.104 4.366 4.470 -0.000 0.000 0.223 205 S C 1.463 176.233 174.600 0.283 0.000 1.032 205 S CA 0.759 58.999 58.200 0.068 0.000 1.005 205 S CB -0.328 62.835 63.200 -0.061 0.000 0.867 205 S HN 0.491 nan 8.310 nan 0.000 0.449 206 W N 1.371 122.833 121.300 0.270 0.000 2.338 206 W HA -0.008 4.652 4.660 -0.000 0.000 0.304 206 W C 2.238 178.885 176.519 0.213 0.000 1.212 206 W CA 0.758 58.256 57.345 0.255 0.000 1.264 206 W CB -0.874 28.772 29.460 0.309 0.000 1.142 206 W HN 0.317 nan 8.180 nan 0.000 0.512 207 M N -0.327 119.501 119.600 0.379 0.000 2.099 207 M HA -0.122 4.358 4.480 -0.000 0.000 0.262 207 M C 1.916 178.353 176.300 0.229 0.000 1.067 207 M CA 1.747 57.213 55.300 0.277 0.000 1.124 207 M CB -1.984 30.736 32.600 0.201 0.000 1.353 207 M HN -0.151 nan 8.290 nan 0.000 0.410 208 T N 0.793 115.457 114.554 0.184 0.000 2.720 208 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 208 T C 1.393 176.195 174.700 0.170 0.000 1.037 208 T CA 1.694 63.880 62.100 0.144 0.000 1.144 208 T CB -0.291 68.635 68.868 0.097 0.000 0.864 208 T HN 0.277 nan 8.240 nan 0.000 0.444 209 D N 0.580 121.117 120.400 0.227 0.000 2.123 209 D HA 0.033 4.673 4.640 -0.000 0.000 0.200 209 D C 2.327 178.757 176.300 0.216 0.000 0.976 209 D CA 1.003 55.141 54.000 0.229 0.000 0.831 209 D CB -0.162 40.819 40.800 0.302 0.000 0.974 209 D HN 0.300 nan 8.370 nan 0.000 0.469 210 S N -1.018 114.837 115.700 0.257 0.000 2.514 210 S HA 0.399 4.869 4.470 -0.000 0.000 0.223 210 S C 0.960 175.717 174.600 0.262 0.000 1.046 210 S CA 0.232 58.584 58.200 0.252 0.000 0.914 210 S CB 1.378 64.763 63.200 0.309 0.000 0.807 210 S HN 0.273 nan 8.310 nan 0.000 0.497 211 A N 0.993 123.976 122.820 0.271 0.000 3.426 211 A HA 0.401 4.720 4.320 -0.000 0.000 0.222 211 A C 0.245 177.959 177.584 0.217 0.000 1.090 211 A CA -0.388 51.805 52.037 0.260 0.000 1.026 211 A CB -0.106 19.126 19.000 0.388 0.000 1.342 211 A HN 0.085 nan 8.150 nan 0.000 0.695 212 D N 0.802 121.306 120.400 0.173 0.000 2.158 212 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 212 D C 1.189 177.565 176.300 0.127 0.000 0.995 212 D CA 1.909 55.991 54.000 0.138 0.000 0.846 212 D CB 0.246 41.111 40.800 0.108 0.000 0.941 212 D HN 0.484 nan 8.370 nan 0.000 0.456 213 N N -0.241 118.540 118.700 0.135 0.000 2.270 213 N HA 0.075 4.815 4.740 -0.000 0.000 0.198 213 N C -0.158 175.475 175.510 0.206 0.000 1.117 213 N CA 0.009 53.141 53.050 0.136 0.000 0.845 213 N CB 0.673 39.221 38.487 0.103 0.000 0.980 213 N HN 0.024 nan 8.380 nan 0.000 0.486 214 S N 0.187 116.015 115.700 0.214 0.000 2.661 214 S HA 0.307 4.777 4.470 -0.000 0.000 0.265 214 S C -0.243 174.528 174.600 0.285 0.000 1.225 214 S CA -0.507 57.838 58.200 0.242 0.000 0.986 214 S CB 0.953 64.250 63.200 0.162 0.000 1.008 214 S HN 0.193 nan 8.310 nan 0.000 0.565 215 F N 1.540 121.551 119.950 0.101 0.000 2.399 215 F HA 0.568 5.095 4.527 -0.000 0.000 0.334 215 F C -0.020 175.827 175.800 0.079 0.000 1.097 215 F CA -0.776 57.280 58.000 0.093 0.000 1.076 215 F CB 0.446 39.437 39.000 -0.014 0.000 1.162 215 F HN 0.702 nan 8.300 nan 0.000 0.495 216 c N 4.994 123.203 118.600 -0.652 0.000 2.994 216 c HA 0.889 5.459 4.570 -0.000 0.000 0.305 216 c C -1.052 172.733 174.090 -0.507 0.000 1.251 216 c CA -1.220 54.958 56.329 -0.252 0.000 1.478 216 c CB 0.787 43.382 42.510 0.141 0.000 1.922 216 c HN 0.921 nan 8.230 nan 0.000 0.472 217 V N 1.273 121.106 119.914 -0.136 0.000 2.851 217 V HA 0.887 5.007 4.120 -0.000 0.000 0.307 217 V C 0.022 176.139 176.094 0.038 0.000 1.129 217 V CA 0.650 62.826 62.300 -0.206 0.000 0.932 217 V CB 2.009 33.551 31.823 -0.468 0.000 1.024 217 V HN 1.637 nan 8.190 nan 0.000 0.426 218 G N 3.404 112.208 108.800 0.007 0.000 2.379 218 G HA2 0.550 4.510 3.960 -0.000 0.000 0.327 218 G HA3 0.550 4.510 3.960 -0.000 0.000 0.327 218 G C -0.770 174.077 174.900 -0.089 0.000 1.145 218 G CA -0.402 44.611 45.100 -0.145 0.000 0.905 218 G HN 0.844 nan 8.290 nan 0.000 0.466 219 E N 2.350 122.601 120.200 0.085 0.000 1.993 219 E HA 0.227 4.577 4.350 -0.000 0.000 0.271 219 E C -1.133 175.416 176.600 -0.086 0.000 1.008 219 E CA -0.683 55.868 56.400 0.251 0.000 0.814 219 E CB 0.884 30.747 29.700 0.272 0.000 1.098 219 E HN 0.251 nan 8.360 nan 0.000 0.407 220 L N 7.087 128.218 121.223 -0.152 0.000 2.301 220 L HA 0.345 4.685 4.340 -0.000 0.000 0.278 220 L C -1.670 175.087 176.870 -0.187 0.000 1.022 220 L CA -0.567 54.098 54.840 -0.291 0.000 0.854 220 L CB 0.623 42.409 42.059 -0.455 0.000 1.226 220 L HN 0.521 nan 8.230 nan 0.000 0.429 221 W N 7.298 128.278 121.300 -0.532 0.000 2.351 221 W HA 0.520 5.180 4.660 -0.000 0.000 0.320 221 W C -0.974 175.287 176.519 -0.429 0.000 0.947 221 W CA -1.135 55.792 57.345 -0.696 0.000 1.565 221 W CB 0.473 29.420 29.460 -0.856 0.000 1.409 221 W HN 0.631 nan 8.180 nan 0.000 0.399 222 K N 3.586 123.942 120.400 -0.073 0.000 2.651 222 K HA 0.446 4.766 4.320 -0.000 0.000 0.259 222 K C 0.101 176.436 176.600 -0.442 0.000 1.017 222 K CA -0.425 55.685 56.287 -0.295 0.000 0.897 222 K CB 0.790 33.060 32.500 -0.383 0.000 1.262 222 K HN 0.459 nan 8.250 nan 0.000 0.460 223 G N 3.393 111.845 108.800 -0.580 0.000 2.537 223 G HA2 0.233 4.193 3.960 -0.000 0.000 0.273 223 G HA3 0.233 4.193 3.960 -0.000 0.000 0.273 223 G C -1.847 172.780 174.900 -0.455 0.000 1.189 223 G CA -1.433 43.078 45.100 -0.982 0.000 0.881 223 G HN 0.376 nan 8.290 nan 0.000 0.535 224 P HA -0.210 nan 4.420 nan 0.000 0.216 224 P C 2.220 179.484 177.300 -0.060 0.000 1.154 224 P CA 2.219 65.197 63.100 -0.204 0.000 0.865 224 P CB 0.106 31.686 31.700 -0.200 0.000 0.789 225 S N -1.085 114.559 115.700 -0.094 0.000 2.547 225 S HA -0.108 4.361 4.470 -0.000 0.000 0.235 225 S C 1.525 176.047 174.600 -0.131 0.000 0.980 225 S CA 0.818 58.969 58.200 -0.082 0.000 0.941 225 S CB -0.980 62.189 63.200 -0.051 0.000 0.763 225 S HN 0.278 nan 8.310 nan 0.000 0.532 226 E N -0.479 119.602 120.200 -0.198 0.000 2.474 226 E HA 0.147 4.497 4.350 -0.000 0.000 0.194 226 E C -0.663 175.666 176.600 -0.451 0.000 1.041 226 E CA -0.080 56.117 56.400 -0.339 0.000 0.874 226 E CB 0.148 29.569 29.700 -0.464 0.000 0.914 226 E HN 0.639 nan 8.360 nan 0.000 0.498 227 Y N 1.217 121.340 120.300 -0.296 0.000 2.354 227 Y HA 0.220 4.770 4.550 -0.000 0.000 0.322 227 Y C -1.934 173.740 175.900 -0.378 0.000 1.253 227 Y CA -3.005 54.887 58.100 -0.347 0.000 1.272 227 Y CB 0.152 38.366 38.460 -0.410 0.000 1.255 227 Y HN -0.085 nan 8.280 nan 0.000 0.500 228 P HA 0.050 nan 4.420 nan 0.000 0.269 228 P C -0.413 176.511 177.300 -0.627 0.000 1.215 228 P CA 0.142 62.865 63.100 -0.629 0.000 0.780 228 P CB 0.768 31.775 31.700 -1.155 0.000 0.898 229 N N 0.862 119.299 118.700 -0.439 0.000 2.289 229 N HA -0.119 4.621 4.740 -0.000 0.000 0.184 229 N C 1.208 176.658 175.510 -0.100 0.000 1.016 229 N CA 0.986 53.918 53.050 -0.197 0.000 0.872 229 N CB -0.293 38.164 38.487 -0.051 0.000 0.973 229 N HN 0.658 nan 8.380 nan 0.000 0.433 230 W N -0.063 121.261 121.300 0.041 0.000 3.139 230 W HA 0.278 4.938 4.660 -0.000 0.000 0.260 230 W C -0.100 176.460 176.519 0.069 0.000 1.312 230 W CA -0.486 56.890 57.345 0.051 0.000 1.606 230 W CB -0.390 29.098 29.460 0.046 0.000 1.118 230 W HN -0.103 nan 8.180 nan 0.000 0.675 231 D N 2.419 122.693 120.400 -0.210 0.000 2.304 231 D HA -0.078 4.562 4.640 -0.000 0.000 0.250 231 D C 1.658 177.908 176.300 -0.083 0.000 1.107 231 D CA -0.366 53.544 54.000 -0.148 0.000 0.885 231 D CB 0.724 41.243 40.800 -0.468 0.000 1.192 231 D HN 0.240 nan 8.370 nan 0.000 0.436 232 W N 5.132 126.420 121.300 -0.020 0.000 2.364 232 W HA -0.127 4.533 4.660 -0.000 0.000 0.281 232 W C 0.994 177.429 176.519 -0.139 0.000 1.219 232 W CA 0.047 57.365 57.345 -0.045 0.000 1.220 232 W CB -0.647 28.803 29.460 -0.017 0.000 1.127 232 W HN 0.383 nan 8.180 nan 0.000 0.556 233 R N 0.896 120.810 120.500 -0.977 0.000 2.235 233 R HA -0.109 4.231 4.340 -0.000 0.000 0.213 233 R C 2.055 177.961 176.300 -0.657 0.000 1.059 233 R CA 1.031 56.412 56.100 -1.199 0.000 0.997 233 R CB -0.676 28.377 30.300 -2.079 0.000 0.884 233 R HN 0.270 nan 8.270 nan 0.000 0.462 234 N N 1.184 119.653 118.700 -0.385 0.000 2.381 234 N HA -0.112 4.628 4.740 -0.000 0.000 0.182 234 N C 0.780 176.223 175.510 -0.112 0.000 1.025 234 N CA 1.625 54.564 53.050 -0.184 0.000 0.888 234 N CB 0.278 38.673 38.487 -0.153 0.000 0.965 234 N HN 0.234 nan 8.380 nan 0.000 0.438 235 T N -3.041 111.465 114.554 -0.079 0.000 3.145 235 T HA 0.582 4.931 4.350 -0.000 0.000 0.281 235 T C 0.284 175.006 174.700 0.036 0.000 1.003 235 T CA -0.539 61.561 62.100 -0.001 0.000 0.901 235 T CB 0.498 69.389 68.868 0.039 0.000 1.112 235 T HN 0.219 nan 8.240 nan 0.000 0.535 236 A N 1.822 124.638 122.820 -0.006 0.000 2.252 236 A HA 0.809 5.129 4.320 -0.000 0.000 0.305 236 A C 0.647 178.269 177.584 0.063 0.000 1.097 236 A CA -0.516 51.574 52.037 0.089 0.000 0.849 236 A CB 0.731 19.799 19.000 0.115 0.000 1.142 236 A HN 0.658 nan 8.150 nan 0.000 0.499 237 S N -1.163 114.631 115.700 0.157 0.000 2.614 237 S HA 0.194 4.664 4.470 -0.000 0.000 0.265 237 S C 0.380 175.128 174.600 0.248 0.000 1.303 237 S CA -0.231 58.102 58.200 0.222 0.000 1.000 237 S CB 0.113 63.454 63.200 0.235 0.000 0.935 237 S HN 0.681 nan 8.310 nan 0.000 0.551 238 W N 0.781 122.170 121.300 0.149 0.000 2.342 238 W HA -0.055 4.605 4.660 -0.000 0.000 0.297 238 W C 2.808 179.457 176.519 0.217 0.000 1.213 238 W CA 1.174 58.627 57.345 0.179 0.000 1.251 238 W CB -0.629 28.956 29.460 0.208 0.000 1.136 238 W HN 0.775 nan 8.180 nan 0.000 0.526 239 Q N -0.118 119.968 119.800 0.478 0.000 2.061 239 Q HA -0.283 4.056 4.340 -0.000 0.000 0.204 239 Q C 2.135 178.428 176.000 0.488 0.000 0.984 239 Q CA 1.935 58.018 55.803 0.467 0.000 0.846 239 Q CB -0.472 28.545 28.738 0.466 0.000 0.902 239 Q HN 0.482 nan 8.270 nan 0.000 0.421 240 Q N 0.013 120.099 119.800 0.478 0.000 2.119 240 Q HA -0.124 4.215 4.340 -0.000 0.000 0.201 240 Q C 2.108 178.310 176.000 0.337 0.000 0.972 240 Q CA 1.007 57.108 55.803 0.498 0.000 0.847 240 Q CB -0.063 29.008 28.738 0.554 0.000 0.903 240 Q HN 0.412 nan 8.270 nan 0.000 0.433 241 I N 1.203 121.876 120.570 0.172 0.000 2.142 241 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 241 I C 2.483 178.679 176.117 0.132 0.000 1.078 241 I CA 1.272 62.565 61.300 -0.012 0.000 1.343 241 I CB -0.546 37.340 38.000 -0.190 0.000 1.046 241 I HN 0.287 nan 8.210 nan 0.000 0.405 242 I N -0.477 120.218 120.570 0.208 0.000 2.315 242 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 242 I C 2.529 178.783 176.117 0.229 0.000 1.117 242 I CA 1.499 62.949 61.300 0.251 0.000 1.404 242 I CB -0.496 37.686 38.000 0.303 0.000 1.071 242 I HN 0.085 nan 8.210 nan 0.000 0.419 243 K N 1.943 122.418 120.400 0.126 0.000 2.057 243 K HA -0.264 4.055 4.320 -0.000 0.000 0.207 243 K C 1.701 178.247 176.600 -0.092 0.000 1.049 243 K CA 2.290 58.505 56.287 -0.120 0.000 0.931 243 K CB -0.593 31.558 32.500 -0.582 0.000 0.714 243 K HN 0.553 nan 8.250 nan 0.000 0.440 244 D N -1.106 119.327 120.400 0.054 0.000 2.097 244 D HA -0.191 4.448 4.640 -0.000 0.000 0.195 244 D C 1.747 178.104 176.300 0.095 0.000 0.989 244 D CA 1.469 55.536 54.000 0.112 0.000 0.827 244 D CB -0.307 40.694 40.800 0.336 0.000 0.966 244 D HN 0.429 nan 8.370 nan 0.000 0.456 245 W N 0.671 121.970 121.300 -0.001 0.000 2.358 245 W HA -0.172 4.488 4.660 -0.000 0.000 0.303 245 W C 2.669 179.164 176.519 -0.042 0.000 1.208 245 W CA 2.056 59.391 57.345 -0.016 0.000 1.274 245 W CB -0.713 28.743 29.460 -0.006 0.000 1.138 245 W HN -0.019 nan 8.180 nan 0.000 0.515 246 S N 0.100 115.893 115.700 0.155 0.000 2.382 246 S HA -0.218 4.252 4.470 -0.000 0.000 0.228 246 S C 1.538 175.993 174.600 -0.241 0.000 1.027 246 S CA 1.973 60.152 58.200 -0.036 0.000 0.991 246 S CB -0.658 62.604 63.200 0.103 0.000 0.823 246 S HN 0.262 nan 8.310 nan 0.000 0.469 247 D N 0.851 121.128 120.400 -0.206 0.000 2.178 247 D HA -0.032 4.608 4.640 -0.000 0.000 0.201 247 D C 2.271 178.429 176.300 -0.237 0.000 0.980 247 D CA 0.913 54.789 54.000 -0.207 0.000 0.842 247 D CB -0.201 40.496 40.800 -0.171 0.000 0.948 247 D HN 0.491 nan 8.370 nan 0.000 0.472 248 R N 0.257 120.574 120.500 -0.304 0.000 2.100 248 R HA 0.181 4.521 4.340 -0.000 0.000 0.220 248 R C 2.048 178.077 176.300 -0.451 0.000 1.091 248 R CA 0.904 56.806 56.100 -0.331 0.000 0.986 248 R CB -0.016 30.104 30.300 -0.300 0.000 0.888 248 R HN 0.047 nan 8.270 nan 0.000 0.444 249 A N 0.875 123.250 122.820 -0.741 0.000 2.132 249 A HA 0.020 4.340 4.320 -0.000 0.000 0.213 249 A C 0.399 177.711 177.584 -0.454 0.000 1.154 249 A CA 0.213 51.793 52.037 -0.763 0.000 0.753 249 A CB 0.244 18.330 19.000 -1.523 0.000 0.826 249 A HN 0.082 nan 8.150 nan 0.000 0.469 250 K N -1.583 118.592 120.400 -0.376 0.000 3.069 250 K HA -0.165 4.155 4.320 -0.000 0.000 0.267 250 K C -0.696 175.792 176.600 -0.187 0.000 1.082 250 K CA 0.866 57.014 56.287 -0.232 0.000 0.782 250 K CB -3.019 29.383 32.500 -0.164 0.000 1.230 250 K HN 0.547 nan 8.250 nan 0.000 0.488 251 c N -0.388 118.092 118.600 -0.200 0.000 2.712 251 c HA 0.461 5.031 4.570 -0.000 0.000 0.308 251 c C -2.066 172.032 174.090 0.013 0.000 1.201 251 c CA -1.680 54.595 56.329 -0.090 0.000 1.554 251 c CB 1.897 44.435 42.510 0.046 0.000 2.117 251 c HN 0.112 nan 8.230 nan 0.000 0.480 252 P HA 0.180 nan 4.420 nan 0.000 0.269 252 P C -0.911 176.440 177.300 0.085 0.000 1.217 252 P CA 0.121 63.222 63.100 0.002 0.000 0.783 252 P CB 0.489 32.131 31.700 -0.097 0.000 0.898 253 V N 3.408 123.383 119.914 0.102 0.000 2.789 253 V HA 0.444 4.564 4.120 -0.000 0.000 0.311 253 V C -0.936 175.198 176.094 0.066 0.000 1.073 253 V CA -0.945 61.413 62.300 0.096 0.000 0.921 253 V CB 0.954 32.938 31.823 0.269 0.000 1.009 253 V HN 0.236 nan 8.190 nan 0.000 0.426 254 F N 3.478 123.522 119.950 0.157 0.000 2.572 254 F HA 0.178 4.705 4.527 -0.000 0.000 0.370 254 F C 1.092 177.068 175.800 0.293 0.000 1.103 254 F CA 0.310 58.426 58.000 0.194 0.000 1.286 254 F CB 0.285 39.343 39.000 0.096 0.000 1.105 254 F HN 0.502 nan 8.300 nan 0.000 0.583 255 D N 3.903 124.573 120.400 0.449 0.000 2.498 255 D HA 0.016 4.656 4.640 -0.000 0.000 0.229 255 D C 0.679 177.096 176.300 0.195 0.000 1.188 255 D CA 0.280 54.456 54.000 0.294 0.000 1.028 255 D CB -0.420 40.487 40.800 0.179 0.000 1.087 255 D HN 0.361 nan 8.370 nan 0.000 0.510 256 F N 1.150 121.282 119.950 0.304 0.000 2.710 256 F HA 0.078 4.605 4.527 -0.000 0.000 0.298 256 F C 2.280 178.100 175.800 0.034 0.000 1.137 256 F CA 0.259 58.384 58.000 0.208 0.000 1.444 256 F CB 0.196 39.402 39.000 0.343 0.000 1.111 256 F HN 0.412 nan 8.300 nan 0.000 0.580 257 A N -0.109 122.876 122.820 0.276 0.000 1.873 257 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 257 A C 2.063 179.600 177.584 -0.078 0.000 1.186 257 A CA 1.395 53.525 52.037 0.154 0.000 0.616 257 A CB -0.915 18.268 19.000 0.305 0.000 0.823 257 A HN 0.325 nan 8.150 nan 0.000 0.442 258 L N -0.313 120.851 121.223 -0.099 0.000 2.056 258 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 258 L C 2.231 178.790 176.870 -0.517 0.000 1.078 258 L CA 2.679 57.373 54.840 -0.243 0.000 0.749 258 L CB -0.530 41.426 42.059 -0.171 0.000 0.901 258 L HN 0.292 nan 8.230 nan 0.000 0.433 259 K N 0.144 120.155 120.400 -0.649 0.000 2.032 259 K HA -0.230 4.090 4.320 -0.000 0.000 0.209 259 K C 2.203 178.225 176.600 -0.963 0.000 1.048 259 K CA 1.846 57.575 56.287 -0.929 0.000 0.927 259 K CB -0.595 31.272 32.500 -1.055 0.000 0.712 259 K HN 0.463 nan 8.250 nan 0.000 0.441 260 E N 0.363 120.080 120.200 -0.806 0.000 2.110 260 E HA -0.192 4.157 4.350 -0.000 0.000 0.193 260 E C 1.796 178.096 176.600 -0.499 0.000 0.988 260 E CA 1.023 56.967 56.400 -0.761 0.000 0.804 260 E CB 0.054 29.229 29.700 -0.875 0.000 0.745 260 E HN 0.174 nan 8.360 nan 0.000 0.458 261 R N -0.182 120.084 120.500 -0.389 0.000 2.092 261 R HA 0.001 4.341 4.340 -0.000 0.000 0.231 261 R C 2.461 178.631 176.300 -0.216 0.000 1.119 261 R CA 0.969 56.952 56.100 -0.195 0.000 0.970 261 R CB -0.592 29.669 30.300 -0.065 0.000 0.864 261 R HN 0.345 nan 8.270 nan 0.000 0.440 262 M N 0.522 119.802 119.600 -0.534 0.000 2.175 262 M HA -0.149 4.331 4.480 -0.000 0.000 0.264 262 M C 1.996 178.084 176.300 -0.353 0.000 1.063 262 M CA 1.485 56.421 55.300 -0.607 0.000 1.119 262 M CB -0.092 31.928 32.600 -0.965 0.000 1.377 262 M HN -0.028 nan 8.290 nan 0.000 0.415 263 Q N -0.085 119.417 119.800 -0.497 0.000 2.123 263 Q HA 0.010 4.350 4.340 -0.000 0.000 0.196 263 Q C 1.036 176.950 176.000 -0.142 0.000 0.958 263 Q CA 1.357 56.909 55.803 -0.419 0.000 0.841 263 Q CB -0.295 27.915 28.738 -0.879 0.000 0.915 263 Q HN 0.665 nan 8.270 nan 0.000 0.455 264 N N -0.539 118.100 118.700 -0.103 0.000 2.348 264 N HA 0.138 4.878 4.740 -0.000 0.000 0.183 264 N C 0.695 176.216 175.510 0.019 0.000 1.094 264 N CA 0.253 53.309 53.050 0.010 0.000 0.885 264 N CB 0.820 39.341 38.487 0.056 0.000 1.065 264 N HN 0.056 nan 8.380 nan 0.000 0.472 265 G N 0.259 109.072 108.800 0.021 0.000 2.568 265 G HA2 0.437 4.397 3.960 -0.000 0.000 0.293 265 G HA3 0.437 4.397 3.960 -0.000 0.000 0.293 265 G C -0.212 174.722 174.900 0.056 0.000 1.347 265 G CA -0.420 44.710 45.100 0.050 0.000 1.039 265 G HN 0.157 nan 8.290 nan 0.000 0.523 266 S N -1.476 114.227 115.700 0.005 0.000 2.713 266 S HA 0.307 4.777 4.470 -0.000 0.000 0.283 266 S C 1.501 175.947 174.600 -0.257 0.000 1.161 266 S CA -0.523 57.626 58.200 -0.085 0.000 0.999 266 S CB 1.482 64.620 63.200 -0.103 0.000 1.039 266 S HN 0.569 nan 8.310 nan 0.000 0.548 267 I N 0.705 120.958 120.570 -0.528 0.000 2.335 267 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 267 I C 2.415 177.952 176.117 -0.967 0.000 1.129 267 I CA 1.692 62.207 61.300 -1.307 0.000 1.402 267 I CB -0.650 36.673 38.000 -1.129 0.000 1.069 267 I HN 0.867 nan 8.210 nan 0.000 0.424 268 A N -0.154 122.371 122.820 -0.492 0.000 2.015 268 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 268 A C 1.775 179.163 177.584 -0.325 0.000 1.163 268 A CA 1.780 53.614 52.037 -0.339 0.000 0.646 268 A CB -0.507 18.373 19.000 -0.200 0.000 0.806 268 A HN 0.479 nan 8.150 nan 0.000 0.448 269 D N -1.347 118.918 120.400 -0.224 0.000 2.363 269 D HA -0.089 4.551 4.640 -0.000 0.000 0.220 269 D C 1.010 177.273 176.300 -0.062 0.000 0.994 269 D CA 0.253 54.203 54.000 -0.084 0.000 0.890 269 D CB -0.267 40.591 40.800 0.096 0.000 0.906 269 D HN 0.656 nan 8.370 nan 0.000 0.530 270 W N 2.251 123.328 121.300 -0.371 0.000 2.424 270 W HA -0.118 4.542 4.660 -0.000 0.000 0.264 270 W C 2.007 178.248 176.519 -0.463 0.000 1.229 270 W CA 0.391 57.486 57.345 -0.417 0.000 1.208 270 W CB -0.591 28.520 29.460 -0.581 0.000 1.127 270 W HN 0.210 nan 8.180 nan 0.000 0.588 271 K N -0.458 119.626 120.400 -0.526 0.000 2.574 271 K HA -0.139 4.181 4.320 -0.000 0.000 0.193 271 K C 0.654 176.868 176.600 -0.642 0.000 1.035 271 K CA 1.525 57.222 56.287 -0.983 0.000 0.982 271 K CB -0.796 30.553 32.500 -1.918 0.000 0.795 271 K HN 0.221 nan 8.250 nan 0.000 0.491 272 H N 0.123 119.110 119.070 -0.140 0.000 2.517 272 H HA 0.225 4.781 4.556 -0.000 0.000 0.282 272 H C 0.845 176.193 175.328 0.033 0.000 1.023 272 H CA -0.393 55.628 56.048 -0.045 0.000 1.169 272 H CB 0.738 30.480 29.762 -0.035 0.000 1.454 272 H HN 0.367 nan 8.280 nan 0.000 0.556 273 G N 0.029 108.902 108.800 0.120 0.000 2.580 273 G HA2 0.127 4.086 3.960 -0.000 0.000 0.278 273 G HA3 0.127 4.086 3.960 -0.000 0.000 0.278 273 G C 0.864 175.893 174.900 0.214 0.000 1.212 273 G CA -0.516 44.667 45.100 0.140 0.000 0.939 273 G HN 0.248 nan 8.290 nan 0.000 0.513 274 L N 0.635 122.006 121.223 0.247 0.000 2.083 274 L HA -0.122 4.217 4.340 -0.000 0.000 0.209 274 L C 2.577 179.621 176.870 0.289 0.000 1.083 274 L CA 2.245 57.272 54.840 0.312 0.000 0.752 274 L CB -0.572 41.680 42.059 0.321 0.000 0.899 274 L HN 0.732 nan 8.230 nan 0.000 0.433 275 N N -0.566 118.282 118.700 0.245 0.000 2.520 275 N HA -0.086 4.654 4.740 -0.000 0.000 0.185 275 N C 1.480 177.150 175.510 0.267 0.000 1.068 275 N CA 1.274 54.460 53.050 0.226 0.000 0.911 275 N CB -0.567 38.018 38.487 0.162 0.000 0.961 275 N HN 0.417 nan 8.380 nan 0.000 0.446 276 G N -0.346 108.645 108.800 0.318 0.000 3.126 276 G HA2 -0.007 3.952 3.960 -0.000 0.000 0.224 276 G HA3 -0.007 3.952 3.960 -0.000 0.000 0.224 276 G C 0.235 175.329 174.900 0.323 0.000 1.142 276 G CA -0.557 44.800 45.100 0.427 0.000 0.759 276 G HN 0.404 nan 8.290 nan 0.000 0.550 277 N N 1.454 120.300 118.700 0.243 0.000 2.454 277 N HA 0.134 4.874 4.740 -0.000 0.000 0.260 277 N C -0.814 174.779 175.510 0.138 0.000 1.218 277 N CA -1.044 52.103 53.050 0.162 0.000 0.904 277 N CB 1.649 40.253 38.487 0.195 0.000 1.065 277 N HN -0.108 nan 8.380 nan 0.000 0.462 278 P HA -0.111 nan 4.420 nan 0.000 0.225 278 P C -0.441 176.891 177.300 0.054 0.000 1.148 278 P CA 1.005 64.142 63.100 0.062 0.000 0.779 278 P CB 0.116 31.835 31.700 0.032 0.000 0.780 279 D N 0.568 120.991 120.400 0.040 0.000 2.280 279 D HA 0.095 4.735 4.640 -0.000 0.000 0.243 279 D C -1.390 175.034 176.300 0.207 0.000 1.129 279 D CA -2.547 51.515 54.000 0.103 0.000 0.848 279 D CB 1.567 42.404 40.800 0.063 0.000 1.107 279 D HN -0.026 nan 8.370 nan 0.000 0.471 280 P HA -0.115 nan 4.420 nan 0.000 0.220 280 P C 1.033 178.462 177.300 0.215 0.000 1.148 280 P CA 0.575 63.784 63.100 0.183 0.000 0.803 280 P CB 0.445 32.229 31.700 0.140 0.000 0.782 281 R N -1.547 119.093 120.500 0.234 0.000 2.237 281 R HA -0.082 4.258 4.340 -0.000 0.000 0.219 281 R C 1.985 178.402 176.300 0.195 0.000 1.080 281 R CA 0.940 57.148 56.100 0.180 0.000 0.995 281 R CB -0.974 29.418 30.300 0.154 0.000 0.875 281 R HN 0.376 nan 8.270 nan 0.000 0.462 282 W N 1.248 122.597 121.300 0.083 0.000 2.601 282 W HA 0.049 4.708 4.660 -0.000 0.000 0.292 282 W C 2.441 179.036 176.519 0.127 0.000 1.153 282 W CA 0.590 57.997 57.345 0.104 0.000 1.448 282 W CB -0.394 29.132 29.460 0.110 0.000 1.113 282 W HN 0.079 nan 8.180 nan 0.000 0.548 283 R N 1.380 122.104 120.500 0.374 0.000 2.148 283 R HA -0.090 4.250 4.340 -0.000 0.000 0.223 283 R C 1.565 178.006 176.300 0.236 0.000 1.088 283 R CA 1.715 57.983 56.100 0.280 0.000 0.985 283 R CB -1.260 29.185 30.300 0.242 0.000 0.880 283 R HN 0.365 nan 8.270 nan 0.000 0.451 284 E N 2.052 122.392 120.200 0.234 0.000 2.338 284 E HA -0.112 4.238 4.350 -0.000 0.000 0.197 284 E C 1.684 178.458 176.600 0.290 0.000 1.007 284 E CA 1.335 57.900 56.400 0.274 0.000 0.849 284 E CB 0.065 29.964 29.700 0.333 0.000 0.774 284 E HN 0.427 nan 8.360 nan 0.000 0.506 285 V N -2.049 117.982 119.914 0.195 0.000 3.650 285 V HA 0.433 4.553 4.120 -0.000 0.000 0.271 285 V C 1.002 177.195 176.094 0.166 0.000 1.281 285 V CA -0.042 62.347 62.300 0.148 0.000 1.120 285 V CB -0.090 31.764 31.823 0.052 0.000 0.856 285 V HN 0.298 nan 8.190 nan 0.000 0.443 286 A N 0.541 123.477 122.820 0.193 0.000 2.401 286 A HA 0.640 4.960 4.320 -0.000 0.000 0.259 286 A C -0.152 177.540 177.584 0.180 0.000 1.103 286 A CA -0.084 52.069 52.037 0.194 0.000 0.789 286 A CB 0.762 19.886 19.000 0.206 0.000 1.035 286 A HN 0.616 nan 8.150 nan 0.000 0.491 287 V N 3.698 123.714 119.914 0.170 0.000 2.305 287 V HA 0.303 4.423 4.120 -0.000 0.000 0.275 287 V C 0.563 176.852 176.094 0.324 0.000 1.020 287 V CA -0.111 62.288 62.300 0.164 0.000 0.811 287 V CB 0.929 32.709 31.823 -0.072 0.000 1.031 287 V HN 1.083 nan 8.190 nan 0.000 0.439 288 T N 2.436 117.153 114.554 0.272 0.000 2.910 288 T HA 0.774 5.124 4.350 -0.000 0.000 0.293 288 T C -0.596 174.303 174.700 0.333 0.000 1.015 288 T CA -0.291 61.938 62.100 0.215 0.000 1.094 288 T CB 1.260 70.157 68.868 0.048 0.000 0.968 288 T HN 0.686 nan 8.240 nan 0.000 0.521 289 F N 0.569 120.492 119.950 -0.046 0.000 2.686 289 F HA 0.670 5.196 4.527 -0.000 0.000 0.311 289 F C 0.254 175.887 175.800 -0.279 0.000 1.128 289 F CA -1.042 56.911 58.000 -0.078 0.000 0.946 289 F CB 0.978 39.967 39.000 -0.017 0.000 1.336 289 F HN 0.426 nan 8.300 nan 0.000 0.457 290 V N -1.000 118.710 119.914 -0.340 0.000 2.788 290 V HA 0.439 4.559 4.120 -0.000 0.000 0.241 290 V C -0.432 175.454 176.094 -0.347 0.000 1.083 290 V CA 1.401 63.351 62.300 -0.582 0.000 1.103 290 V CB 0.331 31.644 31.823 -0.850 0.000 0.800 290 V HN 0.813 nan 8.190 nan 0.000 0.476 291 D N -0.287 120.128 120.400 0.025 0.000 2.599 291 D HA 0.403 5.042 4.640 -0.000 0.000 0.252 291 D C -1.125 175.086 176.300 -0.148 0.000 1.232 291 D CA -0.060 53.951 54.000 0.018 0.000 0.819 291 D CB 2.089 42.915 40.800 0.043 0.000 1.401 291 D HN 0.715 nan 8.370 nan 0.000 0.429 292 N N -1.351 117.102 118.700 -0.412 0.000 3.278 292 N HA 0.143 4.883 4.740 -0.000 0.000 0.307 292 N C 0.947 176.084 175.510 -0.622 0.000 1.551 292 N CA -0.497 52.187 53.050 -0.610 0.000 0.794 292 N CB 1.288 39.549 38.487 -0.376 0.000 1.770 292 N HN 0.388 nan 8.380 nan 0.000 0.612 293 H N -0.840 118.054 119.070 -0.293 0.000 2.491 293 H HA 0.024 4.579 4.556 -0.000 0.000 0.290 293 H C -0.033 175.269 175.328 -0.044 0.000 1.050 293 H CA 1.164 57.246 56.048 0.057 0.000 1.309 293 H CB -0.181 29.772 29.762 0.318 0.000 1.392 293 H HN 0.511 nan 8.280 nan 0.000 0.554 294 D N 0.897 120.930 120.400 -0.611 0.000 2.320 294 D HA -0.084 4.556 4.640 -0.000 0.000 0.228 294 D C 2.360 178.575 176.300 -0.142 0.000 0.978 294 D CA 2.384 56.160 54.000 -0.373 0.000 0.905 294 D CB -0.284 40.460 40.800 -0.094 0.000 1.051 294 D HN 0.561 nan 8.370 nan 0.000 0.471 295 T N -1.083 113.446 114.554 -0.041 0.000 2.857 295 T HA 0.091 4.441 4.350 -0.000 0.000 0.266 295 T C 1.254 175.950 174.700 -0.006 0.000 1.048 295 T CA 0.872 63.033 62.100 0.101 0.000 1.139 295 T CB -0.256 68.685 68.868 0.121 0.000 0.874 295 T HN 0.059 nan 8.240 nan 0.000 0.455 296 G N -0.705 108.035 108.800 -0.100 0.000 2.557 296 G HA2 0.566 4.526 3.960 -0.000 0.000 0.302 296 G HA3 0.566 4.526 3.960 -0.000 0.000 0.302 296 G C -1.089 173.846 174.900 0.059 0.000 1.311 296 G CA -1.110 43.991 45.100 0.002 0.000 1.030 296 G HN 0.328 nan 8.290 nan 0.000 0.509 297 Y N -0.744 119.766 120.300 0.349 0.000 2.295 297 Y HA 0.503 5.053 4.550 -0.000 0.000 0.331 297 Y C 0.995 177.273 175.900 0.630 0.000 1.311 297 Y CA 0.360 58.725 58.100 0.441 0.000 1.430 297 Y CB 1.473 40.104 38.460 0.285 0.000 1.339 297 Y HN 0.351 nan 8.280 nan 0.000 0.552 298 S N 1.123 117.245 115.700 0.702 0.000 2.546 298 S HA 0.433 4.903 4.470 -0.000 0.000 0.274 298 S C -2.824 171.995 174.600 0.364 0.000 1.121 298 S CA -1.389 57.099 58.200 0.479 0.000 0.887 298 S CB 2.035 65.538 63.200 0.505 0.000 1.094 298 S HN 0.254 nan 8.310 nan 0.000 0.474 299 P HA 0.427 nan 4.420 nan 0.000 0.270 299 P C 0.669 178.051 177.300 0.137 0.000 1.227 299 P CA 0.825 63.997 63.100 0.121 0.000 0.788 299 P CB 0.163 31.815 31.700 -0.081 0.000 0.926 300 G N 0.516 109.413 108.800 0.162 0.000 2.615 300 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 300 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 300 G C -0.588 174.421 174.900 0.181 0.000 1.339 300 G CA -0.155 45.039 45.100 0.157 0.000 0.884 300 G HN 0.816 nan 8.290 nan 0.000 0.559 301 Q N 0.615 120.512 119.800 0.162 0.000 2.320 301 Q HA 0.259 4.599 4.340 -0.000 0.000 0.311 301 Q C 0.954 177.083 176.000 0.215 0.000 1.083 301 Q CA 1.498 57.395 55.803 0.156 0.000 1.001 301 Q CB -0.798 28.006 28.738 0.110 0.000 1.074 301 Q HN 1.092 nan 8.270 nan 0.000 0.379 302 N N 2.621 121.443 118.700 0.204 0.000 2.815 302 N HA -0.276 4.464 4.740 -0.000 0.000 0.247 302 N C 0.581 176.322 175.510 0.386 0.000 1.030 302 N CA 0.335 53.539 53.050 0.256 0.000 0.881 302 N CB -1.434 37.188 38.487 0.225 0.000 1.134 302 N HN 1.092 nan 8.380 nan 0.000 0.582 303 G N -0.707 108.314 108.800 0.368 0.000 2.179 303 G HA2 0.073 4.033 3.960 -0.000 0.000 0.257 303 G HA3 0.073 4.033 3.960 -0.000 0.000 0.257 303 G C 0.941 176.177 174.900 0.560 0.000 1.010 303 G CA 0.817 46.230 45.100 0.521 0.000 0.736 303 G HN 1.549 nan 8.290 nan 0.000 0.513 304 G N -1.076 107.965 108.800 0.401 0.000 2.512 304 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.254 304 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.254 304 G C 0.716 175.568 174.900 -0.081 0.000 1.199 304 G CA 1.084 46.385 45.100 0.335 0.000 0.941 304 G HN 1.016 nan 8.290 nan 0.000 0.569 305 Q N 0.106 119.653 119.800 -0.423 0.000 2.134 305 Q HA 0.142 4.482 4.340 -0.000 0.000 0.195 305 Q C 1.068 176.320 176.000 -1.247 0.000 0.958 305 Q CA 1.037 56.289 55.803 -0.917 0.000 0.840 305 Q CB 0.024 28.053 28.738 -1.181 0.000 0.918 305 Q HN 1.273 nan 8.270 nan 0.000 0.467 306 H N -0.945 117.800 119.070 -0.542 0.000 2.394 306 H HA -0.173 4.383 4.556 -0.000 0.000 0.322 306 H C -0.024 175.150 175.328 -0.256 0.000 1.012 306 H CA 0.774 56.495 56.048 -0.545 0.000 1.084 306 H CB -2.044 27.014 29.762 -1.174 0.000 1.597 306 H HN 0.342 nan 8.280 nan 0.000 0.375 307 H N -1.156 117.905 119.070 -0.015 0.000 2.512 307 H HA 0.029 4.585 4.556 -0.000 0.000 0.279 307 H C 0.356 175.871 175.328 0.313 0.000 0.999 307 H CA 1.346 57.455 56.048 0.102 0.000 1.283 307 H CB 0.275 30.119 29.762 0.137 0.000 1.421 307 H HN 0.737 nan 8.280 nan 0.000 0.554 308 W N 0.863 122.284 121.300 0.203 0.000 0.885 308 W HA 0.530 5.190 4.660 -0.000 0.000 0.320 308 W C -0.909 175.639 176.519 0.048 0.000 0.884 308 W CA -1.572 55.862 57.345 0.148 0.000 1.281 308 W CB -0.362 29.228 29.460 0.217 0.000 1.324 308 W HN -0.045 nan 8.180 nan 0.000 0.495 309 A N 2.085 125.019 122.820 0.190 0.000 2.401 309 A HA 0.523 4.843 4.320 -0.000 0.000 0.259 309 A C -0.570 177.047 177.584 0.056 0.000 1.103 309 A CA -0.354 51.750 52.037 0.112 0.000 0.789 309 A CB 0.651 19.747 19.000 0.160 0.000 1.035 309 A HN 0.461 nan 8.150 nan 0.000 0.491 310 L N 2.762 123.984 121.223 -0.001 0.000 2.367 310 L HA 0.235 4.575 4.340 -0.000 0.000 0.275 310 L C 0.955 177.838 176.870 0.021 0.000 1.129 310 L CA 0.088 54.890 54.840 -0.064 0.000 0.839 310 L CB 0.742 42.704 42.059 -0.160 0.000 1.133 310 L HN 0.829 nan 8.230 nan 0.000 0.453 311 Q N 2.325 122.131 119.800 0.009 0.000 2.361 311 Q HA 0.013 4.353 4.340 -0.000 0.000 0.276 311 Q C 0.381 176.380 176.000 -0.001 0.000 1.022 311 Q CA 0.139 55.951 55.803 0.016 0.000 0.898 311 Q CB 0.424 29.169 28.738 0.012 0.000 1.246 311 Q HN 0.783 nan 8.270 nan 0.000 0.410 312 D N 3.318 123.709 120.400 -0.015 0.000 2.228 312 D HA -0.174 4.466 4.640 -0.000 0.000 0.203 312 D C 1.553 177.857 176.300 0.007 0.000 0.988 312 D CA 1.550 55.547 54.000 -0.004 0.000 0.864 312 D CB -0.677 40.113 40.800 -0.016 0.000 0.928 312 D HN 0.775 nan 8.370 nan 0.000 0.469 313 G N -0.206 108.594 108.800 -0.001 0.000 2.559 313 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.216 313 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.216 313 G C 1.525 176.428 174.900 0.006 0.000 1.126 313 G CA 0.344 45.444 45.100 0.001 0.000 0.778 313 G HN 0.397 nan 8.290 nan 0.000 0.543 314 L N -0.186 121.045 121.223 0.012 0.000 2.858 314 L HA 0.390 4.729 4.340 -0.000 0.000 0.251 314 L C 2.073 178.950 176.870 0.010 0.000 1.149 314 L CA -0.265 54.607 54.840 0.053 0.000 0.955 314 L CB 0.264 42.394 42.059 0.119 0.000 1.289 314 L HN 0.107 nan 8.230 nan 0.000 0.542 315 I N 0.068 120.594 120.570 -0.074 0.000 2.127 315 I HA -0.328 3.841 4.170 -0.000 0.000 0.241 315 I C 2.593 178.664 176.117 -0.075 0.000 1.075 315 I CA 1.604 62.783 61.300 -0.201 0.000 1.334 315 I CB -0.210 37.544 38.000 -0.409 0.000 1.040 315 I HN 0.299 nan 8.210 nan 0.000 0.405 316 R N 0.297 120.766 120.500 -0.051 0.000 2.081 316 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 316 R C 2.357 178.801 176.300 0.241 0.000 1.131 316 R CA 1.438 57.537 56.100 -0.002 0.000 0.960 316 R CB -0.332 29.718 30.300 -0.415 0.000 0.856 316 R HN 0.376 nan 8.270 nan 0.000 0.436 317 Q N 0.220 120.123 119.800 0.171 0.000 2.084 317 Q HA -0.097 4.242 4.340 -0.000 0.000 0.202 317 Q C 2.094 178.344 176.000 0.416 0.000 0.978 317 Q CA 1.901 57.862 55.803 0.263 0.000 0.844 317 Q CB -0.268 28.583 28.738 0.188 0.000 0.898 317 Q HN 0.368 nan 8.270 nan 0.000 0.426 318 A N -0.508 122.479 122.820 0.279 0.000 1.877 318 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 318 A C 1.736 179.291 177.584 -0.048 0.000 1.186 318 A CA 1.342 53.364 52.037 -0.024 0.000 0.620 318 A CB -0.861 17.911 19.000 -0.381 0.000 0.822 318 A HN 0.399 nan 8.150 nan 0.000 0.443 319 Y N -0.072 120.276 120.300 0.079 0.000 2.242 319 Y HA -0.050 4.500 4.550 -0.000 0.000 0.291 319 Y C 2.917 178.877 175.900 0.100 0.000 1.137 319 Y CA 0.638 58.786 58.100 0.079 0.000 1.181 319 Y CB -0.635 37.893 38.460 0.113 0.000 0.989 319 Y HN 0.331 nan 8.280 nan 0.000 0.527 320 A N -0.815 122.217 122.820 0.353 0.000 1.908 320 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 320 A C 2.077 179.786 177.584 0.209 0.000 1.181 320 A CA 1.861 54.035 52.037 0.229 0.000 0.627 320 A CB -1.287 17.895 19.000 0.303 0.000 0.818 320 A HN 0.561 nan 8.150 nan 0.000 0.445 321 Y N 1.185 121.591 120.300 0.178 0.000 2.133 321 Y HA -0.158 4.392 4.550 -0.000 0.000 0.287 321 Y C 2.150 178.109 175.900 0.099 0.000 1.134 321 Y CA 1.748 59.955 58.100 0.177 0.000 1.133 321 Y CB -0.430 38.232 38.460 0.336 0.000 0.987 321 Y HN 0.410 nan 8.280 nan 0.000 0.502 322 I N -2.298 118.208 120.570 -0.107 0.000 2.394 322 I HA -0.167 4.003 4.170 -0.000 0.000 0.251 322 I C 1.630 177.683 176.117 -0.107 0.000 1.136 322 I CA 1.301 62.486 61.300 -0.192 0.000 1.425 322 I CB -0.554 37.385 38.000 -0.102 0.000 1.079 322 I HN 0.161 nan 8.210 nan 0.000 0.425 323 L N 1.666 122.874 121.223 -0.024 0.000 2.291 323 L HA -0.024 4.316 4.340 -0.000 0.000 0.214 323 L C 2.541 179.371 176.870 -0.066 0.000 1.120 323 L CA 2.162 56.988 54.840 -0.023 0.000 0.799 323 L CB -1.159 40.895 42.059 -0.009 0.000 0.925 323 L HN 0.620 nan 8.230 nan 0.000 0.446 324 T N -5.092 109.410 114.554 -0.087 0.000 3.069 324 T HA 0.171 4.521 4.350 -0.000 0.000 0.252 324 T C 0.795 175.426 174.700 -0.114 0.000 1.053 324 T CA 0.309 62.363 62.100 -0.077 0.000 0.964 324 T CB -0.031 68.820 68.868 -0.029 0.000 1.005 324 T HN 0.249 nan 8.240 nan 0.000 0.532 325 S N 0.803 116.378 115.700 -0.208 0.000 2.726 325 S HA 0.790 5.260 4.470 -0.000 0.000 0.308 325 S C -3.090 171.440 174.600 -0.116 0.000 1.115 325 S CA -1.717 56.353 58.200 -0.217 0.000 0.965 325 S CB 1.396 64.287 63.200 -0.515 0.000 1.145 325 S HN 0.011 nan 8.310 nan 0.000 0.532 326 P HA 0.446 nan 4.420 nan 0.000 0.272 326 P C 0.803 178.128 177.300 0.042 0.000 1.248 326 P CA 1.174 64.288 63.100 0.023 0.000 0.799 326 P CB -0.431 31.311 31.700 0.070 0.000 0.997 327 G N -0.849 108.006 108.800 0.093 0.000 2.725 327 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.220 327 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.220 327 G C -1.039 173.922 174.900 0.101 0.000 1.357 327 G CA -0.468 44.708 45.100 0.126 0.000 0.866 327 G HN 0.608 nan 8.290 nan 0.000 0.548 328 T N 3.817 118.450 114.554 0.132 0.000 2.809 328 T HA 0.656 5.006 4.350 -0.000 0.000 0.296 328 T C -2.390 172.396 174.700 0.143 0.000 1.015 328 T CA -0.584 61.591 62.100 0.125 0.000 0.954 328 T CB 2.261 71.240 68.868 0.183 0.000 0.950 328 T HN 0.620 nan 8.240 nan 0.000 0.450 329 P HA 0.466 nan 4.420 nan 0.000 0.282 329 P C -1.007 176.442 177.300 0.248 0.000 1.249 329 P CA -0.550 62.653 63.100 0.172 0.000 0.806 329 P CB 1.152 32.926 31.700 0.124 0.000 0.984 330 V N 3.376 123.491 119.914 0.335 0.000 2.487 330 V HA 0.275 4.394 4.120 -0.000 0.000 0.298 330 V C 0.190 176.557 176.094 0.455 0.000 1.028 330 V CA -0.786 61.761 62.300 0.413 0.000 0.860 330 V CB 2.166 34.318 31.823 0.549 0.000 0.991 330 V HN 0.260 nan 8.190 nan 0.000 0.427 331 V N 4.794 124.965 119.914 0.429 0.000 2.398 331 V HA 0.327 4.446 4.120 -0.000 0.000 0.286 331 V C -0.577 175.747 176.094 0.383 0.000 1.026 331 V CA -0.773 61.809 62.300 0.469 0.000 0.868 331 V CB 1.499 33.554 31.823 0.387 0.000 0.982 331 V HN 0.744 nan 8.190 nan 0.000 0.443 332 Y N 4.685 125.206 120.300 0.368 0.000 2.402 332 Y HA 0.046 4.596 4.550 -0.000 0.000 0.333 332 Y C 0.975 176.935 175.900 0.100 0.000 1.076 332 Y CA -0.853 57.382 58.100 0.225 0.000 1.299 332 Y CB 0.490 39.150 38.460 0.333 0.000 1.197 332 Y HN 0.860 nan 8.280 nan 0.000 0.517 333 W N 5.213 126.253 121.300 -0.432 0.000 2.280 333 W HA -0.372 4.288 4.660 -0.000 0.000 0.332 333 W C 0.905 177.130 176.519 -0.490 0.000 1.300 333 W CA 2.777 59.900 57.345 -0.370 0.000 1.274 333 W CB -0.302 28.988 29.460 -0.282 0.000 1.141 333 W HN 0.703 nan 8.180 nan 0.000 0.474 334 D N -1.218 118.635 120.400 -0.913 0.000 2.123 334 D HA -0.199 4.440 4.640 -0.000 0.000 0.196 334 D C 2.056 177.841 176.300 -0.859 0.000 0.992 334 D CA 1.721 55.003 54.000 -1.197 0.000 0.833 334 D CB -0.868 38.686 40.800 -2.077 0.000 0.954 334 D HN 0.254 nan 8.370 nan 0.000 0.455 335 H N -0.718 118.213 119.070 -0.232 0.000 2.357 335 H HA -0.052 4.504 4.556 -0.000 0.000 0.301 335 H C 2.052 177.386 175.328 0.011 0.000 1.082 335 H CA 1.067 57.279 56.048 0.273 0.000 1.342 335 H CB -0.331 29.620 29.762 0.316 0.000 1.389 335 H HN 0.175 nan 8.280 nan 0.000 0.511 336 M N 0.085 119.564 119.600 -0.203 0.000 2.064 336 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 336 M C 1.272 177.112 176.300 -0.767 0.000 1.073 336 M CA 1.775 56.733 55.300 -0.571 0.000 1.124 336 M CB -0.172 31.930 32.600 -0.830 0.000 1.326 336 M HN 0.107 nan 8.290 nan 0.000 0.410 337 Y N -1.114 118.866 120.300 -0.532 0.000 2.442 337 Y HA 0.208 4.758 4.550 -0.000 0.000 0.250 337 Y C 1.624 177.342 175.900 -0.305 0.000 1.113 337 Y CA -0.035 57.760 58.100 -0.508 0.000 1.273 337 Y CB -0.015 37.893 38.460 -0.920 0.000 1.138 337 Y HN 0.265 nan 8.280 nan 0.000 0.522 338 D N -1.642 118.618 120.400 -0.232 0.000 2.615 338 D HA -0.044 4.595 4.640 -0.000 0.000 0.259 338 D C 1.199 177.534 176.300 0.059 0.000 0.999 338 D CA 0.686 54.591 54.000 -0.159 0.000 0.938 338 D CB -0.126 40.386 40.800 -0.482 0.000 1.121 338 D HN 0.270 nan 8.370 nan 0.000 0.487 339 W N 1.080 122.409 121.300 0.048 0.000 3.290 339 W HA 0.357 5.017 4.660 -0.000 0.000 0.287 339 W C 1.125 177.540 176.519 -0.174 0.000 1.288 339 W CA 0.319 57.683 57.345 0.032 0.000 1.725 339 W CB -0.482 29.124 29.460 0.243 0.000 1.103 339 W HN 0.079 nan 8.180 nan 0.000 0.670 340 G N 0.097 108.906 108.800 0.015 0.000 2.149 340 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.235 340 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.235 340 G C 0.182 174.931 174.900 -0.253 0.000 1.018 340 G CA 0.293 45.308 45.100 -0.142 0.000 0.728 340 G HN 0.368 nan 8.290 nan 0.000 0.508 341 Y N 0.032 120.377 120.300 0.075 0.000 2.458 341 Y HA 0.335 4.885 4.550 -0.000 0.000 0.256 341 Y C 2.611 178.517 175.900 0.011 0.000 1.159 341 Y CA 0.552 58.698 58.100 0.077 0.000 1.261 341 Y CB 0.073 38.601 38.460 0.113 0.000 1.119 341 Y HN 0.249 nan 8.280 nan 0.000 0.524 342 G N 0.611 109.427 108.800 0.027 0.000 2.529 342 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 342 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 342 G C 1.345 176.208 174.900 -0.061 0.000 1.177 342 G CA 1.705 46.740 45.100 -0.108 0.000 0.773 342 G HN 0.253 nan 8.290 nan 0.000 0.573 343 D N -0.340 120.060 120.400 -0.001 0.000 2.144 343 D HA -0.073 4.567 4.640 -0.000 0.000 0.200 343 D C 1.991 178.315 176.300 0.039 0.000 0.978 343 D CA 0.496 54.501 54.000 0.008 0.000 0.833 343 D CB -0.344 40.469 40.800 0.021 0.000 0.961 343 D HN 0.305 nan 8.370 nan 0.000 0.470 344 F N 1.304 121.228 119.950 -0.044 0.000 2.102 344 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 344 F C 2.113 177.874 175.800 -0.065 0.000 1.105 344 F CA 1.087 59.072 58.000 -0.026 0.000 1.239 344 F CB -0.302 38.722 39.000 0.040 0.000 0.991 344 F HN -0.145 nan 8.300 nan 0.000 0.474 345 I N 0.016 120.489 120.570 -0.162 0.000 2.252 345 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 345 I C 2.589 178.523 176.117 -0.306 0.000 1.102 345 I CA 1.241 62.349 61.300 -0.318 0.000 1.385 345 I CB -0.530 37.284 38.000 -0.309 0.000 1.064 345 I HN 0.031 nan 8.210 nan 0.000 0.414 346 R N 0.515 120.874 120.500 -0.234 0.000 2.096 346 R HA -0.242 4.098 4.340 -0.000 0.000 0.240 346 R C 2.394 178.563 176.300 -0.219 0.000 1.139 346 R CA 1.864 57.830 56.100 -0.224 0.000 0.952 346 R CB -0.303 29.907 30.300 -0.149 0.000 0.854 346 R HN 0.462 nan 8.270 nan 0.000 0.436 347 Q N 0.110 119.783 119.800 -0.211 0.000 2.061 347 Q HA -0.200 4.139 4.340 -0.000 0.000 0.204 347 Q C 2.235 178.094 176.000 -0.236 0.000 0.984 347 Q CA 1.571 57.255 55.803 -0.199 0.000 0.846 347 Q CB -0.215 28.410 28.738 -0.188 0.000 0.902 347 Q HN 0.365 nan 8.270 nan 0.000 0.421 348 L N 0.163 121.183 121.223 -0.338 0.000 2.141 348 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 348 L C 2.279 179.022 176.870 -0.212 0.000 1.094 348 L CA 0.738 55.401 54.840 -0.294 0.000 0.763 348 L CB -0.278 41.543 42.059 -0.398 0.000 0.908 348 L HN 0.254 nan 8.230 nan 0.000 0.437 349 I N -0.617 119.813 120.570 -0.233 0.000 2.226 349 I HA -0.317 3.852 4.170 -0.000 0.000 0.245 349 I C 2.556 178.571 176.117 -0.170 0.000 1.100 349 I CA 1.324 62.494 61.300 -0.217 0.000 1.374 349 I CB -0.193 37.614 38.000 -0.322 0.000 1.057 349 I HN 0.336 nan 8.210 nan 0.000 0.413 350 Q N -0.134 119.568 119.800 -0.164 0.000 2.079 350 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 350 Q C 2.411 178.353 176.000 -0.097 0.000 0.974 350 Q CA 1.391 57.121 55.803 -0.122 0.000 0.840 350 Q CB -0.116 28.556 28.738 -0.110 0.000 0.898 350 Q HN 0.357 nan 8.270 nan 0.000 0.430 351 V N 0.911 120.762 119.914 -0.105 0.000 2.295 351 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 351 V C 2.355 178.412 176.094 -0.063 0.000 1.049 351 V CA 2.005 64.259 62.300 -0.078 0.000 1.024 351 V CB -0.574 31.196 31.823 -0.089 0.000 0.648 351 V HN 0.335 nan 8.190 nan 0.000 0.447 352 R N -0.099 120.353 120.500 -0.079 0.000 2.083 352 R HA -0.199 4.140 4.340 -0.000 0.000 0.237 352 R C 2.536 178.803 176.300 -0.055 0.000 1.137 352 R CA 1.955 58.017 56.100 -0.064 0.000 0.951 352 R CB -0.207 30.049 30.300 -0.073 0.000 0.851 352 R HN 0.412 nan 8.270 nan 0.000 0.434 353 R N -0.448 120.012 120.500 -0.067 0.000 2.075 353 R HA -0.040 4.299 4.340 -0.000 0.000 0.232 353 R C 2.307 178.581 176.300 -0.043 0.000 1.126 353 R CA 1.278 57.343 56.100 -0.057 0.000 0.963 353 R CB -0.233 30.025 30.300 -0.070 0.000 0.858 353 R HN 0.283 nan 8.270 nan 0.000 0.435 354 A N 0.835 123.629 122.820 -0.043 0.000 1.969 354 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 354 A C 2.207 179.779 177.584 -0.019 0.000 1.169 354 A CA 1.587 53.606 52.037 -0.030 0.000 0.635 354 A CB -0.400 18.582 19.000 -0.031 0.000 0.810 354 A HN 0.390 nan 8.150 nan 0.000 0.445 355 A N -1.660 121.150 122.820 -0.016 0.000 2.119 355 A HA 0.389 4.709 4.320 -0.000 0.000 0.216 355 A C 1.819 179.400 177.584 -0.006 0.000 1.152 355 A CA 1.265 53.301 52.037 -0.002 0.000 0.708 355 A CB -0.905 18.101 19.000 0.009 0.000 0.805 355 A HN 1.911 nan 8.150 nan 0.000 0.460 356 G N -0.811 107.980 108.800 -0.015 0.000 2.225 356 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.264 356 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.264 356 G C 0.060 174.953 174.900 -0.012 0.000 1.060 356 G CA 0.128 45.219 45.100 -0.015 0.000 0.833 356 G HN 0.766 nan 8.290 nan 0.000 0.498 357 V N 0.858 120.763 119.914 -0.016 0.000 2.614 357 V HA 0.616 4.736 4.120 -0.000 0.000 0.291 357 V C 0.993 177.076 176.094 -0.018 0.000 1.049 357 V CA 0.524 62.816 62.300 -0.013 0.000 1.038 357 V CB 0.850 32.662 31.823 -0.019 0.000 0.980 357 V HN 0.769 nan 8.190 nan 0.000 0.481 358 R N 3.691 124.185 120.500 -0.009 0.000 2.885 358 R HA 0.792 5.132 4.340 -0.000 0.000 0.260 358 R C 0.988 177.293 176.300 0.008 0.000 1.107 358 R CA -0.348 55.742 56.100 -0.017 0.000 0.978 358 R CB 1.132 31.414 30.300 -0.030 0.000 1.227 358 R HN 0.462 nan 8.270 nan 0.000 0.473 359 A N 0.800 123.621 122.820 0.002 0.000 1.927 359 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 359 A C 1.216 178.876 177.584 0.127 0.000 1.185 359 A CA 2.257 54.339 52.037 0.075 0.000 0.639 359 A CB -0.911 18.144 19.000 0.092 0.000 0.820 359 A HN 0.865 nan 8.150 nan 0.000 0.451 360 D N -0.796 119.679 120.400 0.125 0.000 2.342 360 D HA 0.158 4.798 4.640 -0.000 0.000 0.221 360 D C 0.094 176.451 176.300 0.095 0.000 1.101 360 D CA 0.125 54.209 54.000 0.140 0.000 0.837 360 D CB -0.604 40.304 40.800 0.180 0.000 0.938 360 D HN 0.145 nan 8.370 nan 0.000 0.508 361 S N 0.414 116.153 115.700 0.064 0.000 2.563 361 S HA 0.400 4.869 4.470 -0.000 0.000 0.284 361 S C 0.513 175.140 174.600 0.044 0.000 1.331 361 S CA -0.268 57.958 58.200 0.044 0.000 1.047 361 S CB 0.707 63.921 63.200 0.022 0.000 0.859 361 S HN 0.522 nan 8.310 nan 0.000 0.514 362 A N 2.821 125.662 122.820 0.035 0.000 2.425 362 A HA 0.606 4.926 4.320 -0.000 0.000 0.249 362 A C -0.159 177.418 177.584 -0.012 0.000 1.084 362 A CA -0.293 51.759 52.037 0.025 0.000 0.781 362 A CB 0.005 19.021 19.000 0.027 0.000 1.019 362 A HN 0.826 nan 8.150 nan 0.000 0.490 363 I N 1.281 121.825 120.570 -0.043 0.000 2.534 363 I HA 0.447 4.617 4.170 -0.000 0.000 0.288 363 I C -0.676 175.290 176.117 -0.251 0.000 1.077 363 I CA 0.008 61.202 61.300 -0.176 0.000 1.051 363 I CB 1.992 39.868 38.000 -0.206 0.000 1.234 363 I HN 0.558 nan 8.210 nan 0.000 0.425 364 S N 6.476 121.960 115.700 -0.359 0.000 2.500 364 S HA 0.642 5.112 4.470 -0.000 0.000 0.301 364 S C -0.985 173.240 174.600 -0.626 0.000 1.092 364 S CA -0.389 57.602 58.200 -0.349 0.000 1.030 364 S CB 1.306 64.364 63.200 -0.237 0.000 1.031 364 S HN 0.368 nan 8.310 nan 0.000 0.483 365 F N 1.484 121.272 119.950 -0.270 0.000 2.450 365 F HA 0.430 4.956 4.527 -0.000 0.000 0.332 365 F C 0.380 175.922 175.800 -0.429 0.000 1.093 365 F CA -0.652 57.208 58.000 -0.234 0.000 1.003 365 F CB 1.120 40.054 39.000 -0.111 0.000 1.151 365 F HN 0.551 nan 8.300 nan 0.000 0.474 366 H N 0.099 119.296 119.070 0.212 0.000 2.595 366 H HA 0.258 4.814 4.556 -0.000 0.000 0.313 366 H C 0.680 176.116 175.328 0.181 0.000 1.023 366 H CA -0.508 55.645 56.048 0.175 0.000 1.218 366 H CB 1.325 31.187 29.762 0.167 0.000 1.403 366 H HN 0.590 nan 8.280 nan 0.000 0.477 367 S N 1.873 117.687 115.700 0.189 0.000 2.423 367 S HA -0.130 4.339 4.470 -0.000 0.000 0.231 367 S C 2.244 176.852 174.600 0.012 0.000 1.014 367 S CA 0.855 59.104 58.200 0.083 0.000 0.965 367 S CB -0.046 63.181 63.200 0.044 0.000 0.785 367 S HN 0.812 nan 8.310 nan 0.000 0.495 368 G N -0.317 108.456 108.800 -0.046 0.000 2.920 368 G HA2 0.262 4.222 3.960 -0.000 0.000 0.208 368 G HA3 0.262 4.222 3.960 -0.000 0.000 0.208 368 G C -0.047 174.384 174.900 -0.781 0.000 1.159 368 G CA -0.024 44.834 45.100 -0.403 0.000 0.784 368 G HN 0.435 nan 8.290 nan 0.000 0.535 369 Y N 0.031 120.341 120.300 0.017 0.000 2.621 369 Y HA 0.537 5.087 4.550 -0.000 0.000 0.334 369 Y C 0.791 176.685 175.900 -0.010 0.000 1.074 369 Y CA -1.181 56.920 58.100 0.002 0.000 1.149 369 Y CB 1.365 39.829 38.460 0.006 0.000 1.302 369 Y HN 0.023 nan 8.280 nan 0.000 0.501 370 S N -0.043 115.728 115.700 0.118 0.000 2.669 370 S HA 0.722 5.192 4.470 -0.000 0.000 0.270 370 S C 0.552 175.166 174.600 0.023 0.000 1.225 370 S CA -0.003 58.216 58.200 0.032 0.000 0.991 370 S CB 0.909 64.114 63.200 0.008 0.000 0.987 370 S HN 1.556 nan 8.310 nan 0.000 0.552 371 G N 0.581 109.350 108.800 -0.052 0.000 2.552 371 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.265 371 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.265 371 G C -0.717 174.107 174.900 -0.127 0.000 1.234 371 G CA 0.039 45.065 45.100 -0.124 0.000 0.944 371 G HN 1.241 nan 8.290 nan 0.000 0.568 372 L N 0.644 121.775 121.223 -0.152 0.000 2.313 372 L HA 0.781 5.121 4.340 -0.000 0.000 0.283 372 L C -0.094 176.812 176.870 0.059 0.000 1.013 372 L CA -0.612 54.177 54.840 -0.085 0.000 0.816 372 L CB 1.058 42.964 42.059 -0.255 0.000 1.236 372 L HN 1.343 nan 8.230 nan 0.000 0.419 373 V N 5.360 125.373 119.914 0.165 0.000 2.483 373 V HA 0.909 5.029 4.120 -0.000 0.000 0.297 373 V C -0.717 175.538 176.094 0.269 0.000 1.027 373 V CA -0.054 62.359 62.300 0.189 0.000 0.855 373 V CB 1.528 33.428 31.823 0.128 0.000 0.995 373 V HN 1.005 nan 8.190 nan 0.000 0.424 374 A N 4.112 127.043 122.820 0.185 0.000 2.454 374 A HA 0.896 5.216 4.320 -0.000 0.000 0.302 374 A C -0.247 177.380 177.584 0.071 0.000 1.079 374 A CA -0.649 51.404 52.037 0.026 0.000 0.731 374 A CB 2.248 21.167 19.000 -0.136 0.000 1.299 374 A HN 0.836 nan 8.150 nan 0.000 0.413 375 T N 1.441 116.023 114.554 0.047 0.000 2.772 375 T HA 0.534 4.884 4.350 -0.000 0.000 0.288 375 T C -0.766 173.930 174.700 -0.006 0.000 0.994 375 T CA -0.173 61.976 62.100 0.082 0.000 0.951 375 T CB 0.816 69.816 68.868 0.219 0.000 0.933 375 T HN 0.501 nan 8.240 nan 0.000 0.447 376 V N 3.329 123.254 119.914 0.019 0.000 2.417 376 V HA 0.367 4.487 4.120 -0.000 0.000 0.291 376 V C 0.342 176.457 176.094 0.035 0.000 1.024 376 V CA -0.793 61.507 62.300 0.000 0.000 0.861 376 V CB 1.896 33.713 31.823 -0.011 0.000 0.985 376 V HN 0.881 nan 8.190 nan 0.000 0.436 377 S N 4.042 119.757 115.700 0.026 0.000 3.363 377 S HA 0.395 4.865 4.470 -0.000 0.000 0.267 377 S C 0.751 175.367 174.600 0.028 0.000 1.288 377 S CA -0.300 57.922 58.200 0.037 0.000 0.948 377 S CB 0.308 63.529 63.200 0.034 0.000 1.397 377 S HN 1.002 nan 8.310 nan 0.000 0.493 378 G N 1.534 110.351 108.800 0.028 0.000 2.606 378 G HA2 0.247 4.207 3.960 -0.000 0.000 0.252 378 G HA3 0.247 4.207 3.960 -0.000 0.000 0.252 378 G C 1.057 175.966 174.900 0.015 0.000 1.206 378 G CA -0.261 44.849 45.100 0.017 0.000 0.861 378 G HN 0.621 nan 8.290 nan 0.000 0.561 379 S N -0.666 115.039 115.700 0.008 0.000 2.428 379 S HA -0.090 4.380 4.470 -0.000 0.000 0.230 379 S C 1.718 176.320 174.600 0.002 0.000 1.014 379 S CA 1.136 59.340 58.200 0.007 0.000 0.957 379 S CB -0.014 63.189 63.200 0.005 0.000 0.784 379 S HN 0.546 nan 8.310 nan 0.000 0.499 380 Q N 0.690 120.490 119.800 -0.001 0.000 2.287 380 Q HA 0.347 4.687 4.340 -0.000 0.000 0.201 380 Q C 0.434 176.431 176.000 -0.005 0.000 0.946 380 Q CA 0.804 56.604 55.803 -0.005 0.000 0.868 380 Q CB 0.132 28.865 28.738 -0.009 0.000 0.967 380 Q HN 0.715 nan 8.270 nan 0.000 0.516 381 Q N -0.499 119.304 119.800 0.005 0.000 2.495 381 Q HA 0.482 4.822 4.340 -0.000 0.000 0.287 381 Q C -1.139 174.888 176.000 0.044 0.000 1.078 381 Q CA -0.457 55.354 55.803 0.013 0.000 0.793 381 Q CB 2.055 30.805 28.738 0.020 0.000 1.459 381 Q HN -0.153 nan 8.270 nan 0.000 0.422 382 T N 1.205 115.804 114.554 0.074 0.000 2.875 382 T HA 0.537 4.887 4.350 -0.000 0.000 0.284 382 T C -0.993 173.858 174.700 0.251 0.000 0.995 382 T CA -0.460 61.731 62.100 0.151 0.000 1.060 382 T CB 0.504 69.487 68.868 0.191 0.000 0.967 382 T HN 0.137 nan 8.240 nan 0.000 0.476 383 L N 3.172 124.512 121.223 0.195 0.000 2.346 383 L HA 0.638 4.978 4.340 -0.000 0.000 0.274 383 L C -0.639 176.311 176.870 0.135 0.000 1.007 383 L CA -0.674 54.277 54.840 0.185 0.000 0.818 383 L CB 2.095 44.213 42.059 0.098 0.000 1.284 383 L HN 0.401 nan 8.230 nan 0.000 0.424 384 V N 3.750 123.735 119.914 0.118 0.000 2.409 384 V HA 0.571 4.691 4.120 -0.000 0.000 0.291 384 V C -0.527 175.689 176.094 0.203 0.000 1.020 384 V CA -0.747 61.586 62.300 0.055 0.000 0.848 384 V CB 1.890 33.575 31.823 -0.231 0.000 0.990 384 V HN 0.417 nan 8.190 nan 0.000 0.430 385 V N 3.945 123.945 119.914 0.144 0.000 2.409 385 V HA 0.847 4.967 4.120 -0.000 0.000 0.291 385 V C 0.200 176.378 176.094 0.141 0.000 1.020 385 V CA -0.466 61.908 62.300 0.123 0.000 0.848 385 V CB 1.668 33.574 31.823 0.138 0.000 0.990 385 V HN 0.973 nan 8.190 nan 0.000 0.430 386 A N 6.533 129.420 122.820 0.110 0.000 2.332 386 A HA 0.878 5.198 4.320 -0.000 0.000 0.300 386 A C -1.041 176.564 177.584 0.035 0.000 1.153 386 A CA -0.425 51.675 52.037 0.104 0.000 0.764 386 A CB 0.823 19.945 19.000 0.204 0.000 1.174 386 A HN 0.788 nan 8.150 nan 0.000 0.467 387 L N 2.182 123.409 121.223 0.006 0.000 2.333 387 L HA 0.439 4.779 4.340 -0.000 0.000 0.280 387 L C 0.360 177.176 176.870 -0.091 0.000 1.004 387 L CA -0.729 54.083 54.840 -0.046 0.000 0.820 387 L CB 1.289 43.307 42.059 -0.069 0.000 1.247 387 L HN 0.947 nan 8.230 nan 0.000 0.416 388 N N 0.938 119.596 118.700 -0.071 0.000 2.716 388 N HA -0.209 4.531 4.740 -0.000 0.000 0.250 388 N C -0.238 175.243 175.510 -0.047 0.000 1.033 388 N CA 0.558 53.565 53.050 -0.073 0.000 0.727 388 N CB -0.370 38.043 38.487 -0.123 0.000 0.950 388 N HN 0.587 nan 8.380 nan 0.000 0.541 389 S N -0.166 115.528 115.700 -0.009 0.000 2.621 389 S HA 0.324 4.794 4.470 -0.000 0.000 0.302 389 S C 0.669 175.302 174.600 0.054 0.000 1.093 389 S CA -0.660 57.560 58.200 0.032 0.000 1.017 389 S CB 1.238 64.470 63.200 0.053 0.000 1.077 389 S HN 0.299 nan 8.310 nan 0.000 0.517 390 D N 1.978 122.432 120.400 0.091 0.000 2.339 390 D HA 0.047 4.687 4.640 -0.000 0.000 0.217 390 D C 0.740 177.113 176.300 0.121 0.000 1.050 390 D CA -0.262 53.800 54.000 0.103 0.000 0.856 390 D CB -0.516 40.346 40.800 0.102 0.000 0.922 390 D HN 0.317 nan 8.370 nan 0.000 0.518 391 L N 1.124 122.391 121.223 0.073 0.000 2.653 391 L HA 0.236 4.576 4.340 -0.000 0.000 0.288 391 L C 1.430 178.247 176.870 -0.088 0.000 1.243 391 L CA 0.663 55.394 54.840 -0.182 0.000 0.906 391 L CB 0.713 42.582 42.059 -0.316 0.000 1.154 391 L HN 0.077 nan 8.230 nan 0.000 0.498 392 G N 4.599 113.314 108.800 -0.142 0.000 2.447 392 G HA2 0.000 3.960 3.960 -0.000 0.000 0.211 392 G HA3 0.000 3.960 3.960 -0.000 0.000 0.211 392 G C 0.237 175.033 174.900 -0.174 0.000 1.184 392 G CA 0.479 45.527 45.100 -0.087 0.000 0.813 392 G HN 0.816 nan 8.290 nan 0.000 0.540 393 N N -0.260 118.234 118.700 -0.343 0.000 2.329 393 N HA 0.253 4.993 4.740 -0.000 0.000 0.282 393 N C -2.618 172.416 175.510 -0.793 0.000 1.198 393 N CA -1.530 51.197 53.050 -0.539 0.000 0.790 393 N CB 2.742 41.031 38.487 -0.330 0.000 1.579 393 N HN -0.156 nan 8.380 nan 0.000 0.475 394 P HA -0.089 nan 4.420 nan 0.000 0.219 394 P C 1.349 178.199 177.300 -0.751 0.000 1.146 394 P CA 1.420 63.797 63.100 -1.205 0.000 0.808 394 P CB -0.171 30.547 31.700 -1.636 0.000 0.779 395 G N 0.073 108.592 108.800 -0.468 0.000 2.509 395 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 395 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 395 G C 1.571 176.341 174.900 -0.218 0.000 1.124 395 G CA 0.171 45.137 45.100 -0.224 0.000 0.776 395 G HN 0.323 nan 8.290 nan 0.000 0.547 396 Q N -0.897 118.724 119.800 -0.297 0.000 2.291 396 Q HA 0.090 4.430 4.340 -0.000 0.000 0.205 396 Q C 2.015 177.885 176.000 -0.217 0.000 0.970 396 Q CA 0.692 56.363 55.803 -0.220 0.000 0.876 396 Q CB 0.200 28.768 28.738 -0.282 0.000 0.935 396 Q HN 0.407 nan 8.270 nan 0.000 0.455 397 V N -1.445 118.252 119.914 -0.362 0.000 3.485 397 V HA 0.367 4.487 4.120 -0.000 0.000 0.280 397 V C -0.477 175.382 176.094 -0.391 0.000 1.495 397 V CA 0.393 62.416 62.300 -0.462 0.000 1.018 397 V CB 1.431 32.824 31.823 -0.718 0.000 0.818 397 V HN 0.149 nan 8.190 nan 0.000 0.436 398 A N -0.450 122.209 122.820 -0.268 0.000 2.486 398 A HA 0.744 5.064 4.320 -0.000 0.000 0.300 398 A C -0.412 177.240 177.584 0.113 0.000 1.048 398 A CA -0.187 51.812 52.037 -0.063 0.000 0.696 398 A CB 1.841 20.791 19.000 -0.084 0.000 1.278 398 A HN 0.094 nan 8.150 nan 0.000 0.405 399 S N 0.625 116.405 115.700 0.133 0.000 2.545 399 S HA 0.696 5.166 4.470 -0.000 0.000 0.275 399 S C 0.453 175.124 174.600 0.117 0.000 1.299 399 S CA 0.958 59.221 58.200 0.106 0.000 1.048 399 S CB 0.433 63.663 63.200 0.049 0.000 0.938 399 S HN 2.607 nan 8.310 nan 0.000 0.496 400 G N 2.246 111.056 108.800 0.017 0.000 2.354 400 G HA2 0.102 4.062 3.960 -0.000 0.000 0.582 400 G HA3 0.102 4.062 3.960 -0.000 0.000 0.582 400 G C -0.947 173.777 174.900 -0.293 0.000 1.316 400 G CA -0.573 44.393 45.100 -0.224 0.000 0.995 400 G HN 0.828 nan 8.290 nan 0.000 0.573 401 S N -0.099 115.336 115.700 -0.441 0.000 2.422 401 S HA 0.765 5.235 4.470 -0.000 0.000 0.308 401 S C -0.819 173.502 174.600 -0.464 0.000 1.097 401 S CA -0.407 57.618 58.200 -0.291 0.000 1.099 401 S CB -0.074 63.021 63.200 -0.175 0.000 0.976 401 S HN 0.492 nan 8.310 nan 0.000 0.471 402 F N 2.043 121.974 119.950 -0.031 0.000 2.508 402 F HA 0.520 5.047 4.527 -0.000 0.000 0.325 402 F C 0.664 176.514 175.800 0.083 0.000 1.090 402 F CA -0.589 57.423 58.000 0.019 0.000 0.945 402 F CB 2.045 41.012 39.000 -0.055 0.000 1.156 402 F HN 0.330 nan 8.300 nan 0.000 0.463 403 S N 0.585 116.482 115.700 0.328 0.000 2.578 403 S HA 0.330 4.800 4.470 -0.000 0.000 0.301 403 S C -0.756 174.077 174.600 0.389 0.000 1.091 403 S CA -1.002 57.361 58.200 0.272 0.000 1.032 403 S CB 1.746 65.030 63.200 0.141 0.000 1.064 403 S HN 0.634 nan 8.310 nan 0.000 0.508 404 E N 0.700 121.089 120.200 0.316 0.000 2.324 404 E HA 0.398 4.748 4.350 -0.000 0.000 0.271 404 E C 0.469 177.058 176.600 -0.018 0.000 1.028 404 E CA -0.204 56.243 56.400 0.079 0.000 0.890 404 E CB 0.530 30.258 29.700 0.047 0.000 1.004 404 E HN 0.717 nan 8.360 nan 0.000 0.431 405 A N 4.431 127.182 122.820 -0.115 0.000 2.013 405 A HA 0.241 4.561 4.320 -0.000 0.000 0.204 405 A C -0.068 177.445 177.584 -0.118 0.000 1.262 405 A CA 0.172 52.162 52.037 -0.078 0.000 0.800 405 A CB 0.765 19.736 19.000 -0.048 0.000 0.909 405 A HN 0.391 nan 8.150 nan 0.000 0.472 406 V N 0.205 120.002 119.914 -0.194 0.000 2.808 406 V HA 0.432 4.552 4.120 -0.000 0.000 0.308 406 V C -1.253 174.716 176.094 -0.208 0.000 1.099 406 V CA -0.681 61.531 62.300 -0.147 0.000 0.920 406 V CB 1.679 33.435 31.823 -0.111 0.000 1.014 406 V HN 0.491 nan 8.190 nan 0.000 0.425 407 N N 2.217 120.856 118.700 -0.101 0.000 2.653 407 N HA 0.709 5.449 4.740 -0.000 0.000 0.261 407 N C -0.784 174.715 175.510 -0.019 0.000 1.216 407 N CA -0.020 52.968 53.050 -0.103 0.000 0.784 407 N CB 1.205 39.627 38.487 -0.108 0.000 1.327 407 N HN 1.035 nan 8.380 nan 0.000 0.539 408 A N 1.314 124.138 122.820 0.007 0.000 2.485 408 A HA 0.705 5.025 4.320 -0.000 0.000 0.292 408 A C 0.144 177.704 177.584 -0.040 0.000 1.147 408 A CA -0.220 51.819 52.037 0.003 0.000 0.750 408 A CB 1.004 20.032 19.000 0.048 0.000 1.331 408 A HN 1.199 nan 8.150 nan 0.000 0.419 409 S N 1.099 116.758 115.700 -0.070 0.000 3.336 409 S HA -0.219 4.251 4.470 -0.000 0.000 0.362 409 S C 0.076 174.651 174.600 -0.042 0.000 0.941 409 S CA 0.875 59.035 58.200 -0.067 0.000 1.297 409 S CB -2.149 60.999 63.200 -0.087 0.000 0.915 409 S HN 1.989 nan 8.310 nan 0.000 0.527 410 N N -0.123 118.558 118.700 -0.032 0.000 2.727 410 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 410 N C 1.170 176.671 175.510 -0.016 0.000 1.048 410 N CA 2.183 55.221 53.050 -0.021 0.000 0.714 410 N CB -1.715 36.760 38.487 -0.019 0.000 0.959 410 N HN 2.147 nan 8.380 nan 0.000 0.544 411 G N -1.194 107.592 108.800 -0.022 0.000 2.184 411 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.264 411 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.264 411 G C 0.830 175.715 174.900 -0.024 0.000 0.975 411 G CA 0.752 45.839 45.100 -0.022 0.000 0.642 411 G HN 0.560 nan 8.290 nan 0.000 0.536 412 Q N -0.923 118.861 119.800 -0.026 0.000 2.224 412 Q HA 0.163 4.502 4.340 -0.000 0.000 0.203 412 Q C 0.764 176.751 176.000 -0.022 0.000 0.970 412 Q CA 1.326 57.114 55.803 -0.026 0.000 0.865 412 Q CB 0.358 29.077 28.738 -0.032 0.000 0.922 412 Q HN 0.497 nan 8.270 nan 0.000 0.445 413 V N 1.592 121.494 119.914 -0.019 0.000 2.376 413 V HA 0.362 4.482 4.120 -0.000 0.000 0.287 413 V C -0.516 175.532 176.094 -0.076 0.000 1.015 413 V CA -0.524 61.781 62.300 0.009 0.000 0.834 413 V CB 1.444 33.332 31.823 0.109 0.000 1.001 413 V HN 0.119 nan 8.190 nan 0.000 0.428 414 R N 3.284 123.676 120.500 -0.180 0.000 2.575 414 R HA 0.835 5.175 4.340 -0.000 0.000 0.293 414 R C -1.642 174.303 176.300 -0.591 0.000 0.983 414 R CA -0.632 55.170 56.100 -0.497 0.000 0.887 414 R CB 2.759 32.651 30.300 -0.681 0.000 1.184 414 R HN 0.487 nan 8.270 nan 0.000 0.445 415 V N 3.006 122.520 119.914 -0.666 0.000 2.638 415 V HA 0.540 4.660 4.120 -0.000 0.000 0.306 415 V C -0.793 175.013 176.094 -0.479 0.000 1.052 415 V CA -0.833 61.230 62.300 -0.395 0.000 0.885 415 V CB 2.119 33.839 31.823 -0.171 0.000 0.999 415 V HN 0.641 nan 8.190 nan 0.000 0.424 416 W N 3.022 124.316 121.300 -0.010 0.000 2.844 416 W HA 0.691 5.351 4.660 -0.000 0.000 0.340 416 W C -0.218 176.399 176.519 0.164 0.000 1.093 416 W CA -0.896 56.480 57.345 0.052 0.000 1.212 416 W CB 2.611 32.057 29.460 -0.024 0.000 1.422 416 W HN 0.377 nan 8.180 nan 0.000 0.515 417 R N 0.696 121.469 120.500 0.455 0.000 2.711 417 R HA 0.421 4.761 4.340 -0.000 0.000 0.284 417 R C 0.486 176.962 176.300 0.293 0.000 0.968 417 R CA -0.355 55.948 56.100 0.337 0.000 0.924 417 R CB 2.192 32.585 30.300 0.154 0.000 1.162 417 R HN 0.502 nan 8.270 nan 0.000 0.465 418 S N 0.000 115.726 115.700 0.044 0.000 2.498 418 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 418 S CA 0.000 57.952 58.200 -0.413 0.000 1.107 418 S CB 0.000 62.961 63.200 -0.398 0.000 0.593 418 S HN 0.000 nan 8.310 nan 0.000 0.517