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 2yxo_1_B DATA FIRST_RESID 1 DATA SEQUENCE MVDSHVHTPL CGHAEGHPEA YLEEARAKGL KGVVFTDHSP MPPWYDPESR DATA SEQUENCE MRLEALPFYL LALERVRERA QDLYVGIGLE ADFHPGTEGF LAQLLRRYPF DATA SEQUENCE DYVIGSVHYL GAWPLDHPDH QEEYAWRDLK EVFRAYFQEV EKAARSGLFH DATA SEQUENCE AIGHLDLPKK FGHRLPEEAL LELAEPALRA VAEAGLFLDV NTAGLRRPAK DATA SEQUENCE EVYPAPALLR RARELGIGLV LGSDAHRPEE VGFAFPEVQA LLAGLGFREA DATA SEQUENCE YYFVEGSPVA YPLSR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.139 176.300 -0.268 0.000 1.140 1 M CA 0.000 55.093 55.300 -0.344 0.000 0.988 1 M CB 0.000 32.217 32.600 -0.639 0.000 1.302 2 V N 1.996 121.786 119.914 -0.207 0.000 2.789 2 V HA 0.544 4.664 4.120 0.001 0.000 0.311 2 V C -1.411 174.800 176.094 0.195 0.000 1.073 2 V CA -0.434 61.800 62.300 -0.108 0.000 0.921 2 V CB 2.088 33.714 31.823 -0.328 0.000 1.009 2 V HN 0.241 nan 8.190 nan 0.000 0.426 3 D N 2.133 122.616 120.400 0.137 0.000 2.396 3 D HA 0.301 4.941 4.640 0.001 0.000 0.225 3 D C 0.531 176.922 176.300 0.151 0.000 1.121 3 D CA -0.036 54.118 54.000 0.257 0.000 0.853 3 D CB 1.691 42.478 40.800 -0.022 0.000 1.043 3 D HN 0.440 nan 8.370 nan 0.000 0.500 4 S N 2.481 118.330 115.700 0.248 0.000 2.597 4 S HA 0.029 4.500 4.470 0.001 0.000 0.224 4 S C 0.305 175.094 174.600 0.315 0.000 0.955 4 S CA -0.309 58.022 58.200 0.218 0.000 0.933 4 S CB -0.155 63.123 63.200 0.128 0.000 0.788 4 S HN 0.563 nan 8.310 nan 0.000 0.488 5 H N 0.653 119.818 119.070 0.158 0.000 2.761 5 H HA 0.534 5.091 4.556 0.001 0.000 0.263 5 H C -1.566 173.748 175.328 -0.023 0.000 1.292 5 H CA -0.345 55.752 56.048 0.082 0.000 1.540 5 H CB 0.340 30.205 29.762 0.172 0.000 1.569 5 H HN 0.001 nan 8.280 nan 0.000 0.510 6 V N 4.373 124.292 119.914 0.009 0.000 2.709 6 V HA 0.270 4.390 4.120 0.001 0.000 0.308 6 V C -0.201 175.724 176.094 -0.280 0.000 1.062 6 V CA -0.878 61.364 62.300 -0.097 0.000 0.901 6 V CB 1.875 33.550 31.823 -0.246 0.000 1.003 6 V HN 0.746 nan 8.190 nan 0.000 0.425 7 H N 1.602 120.608 119.070 -0.105 0.000 2.585 7 H HA 0.773 5.329 4.556 0.001 0.000 0.338 7 H C -0.090 175.123 175.328 -0.192 0.000 1.295 7 H CA -0.037 55.891 56.048 -0.199 0.000 1.356 7 H CB 2.346 31.782 29.762 -0.543 0.000 1.736 7 H HN 0.774 nan 8.280 nan 0.000 0.629 8 T N -2.761 111.799 114.554 0.010 0.000 2.883 8 T HA 0.219 4.570 4.350 0.001 0.000 0.296 8 T C -2.399 172.307 174.700 0.010 0.000 1.117 8 T CA -1.993 60.081 62.100 -0.043 0.000 1.006 8 T CB 1.987 70.847 68.868 -0.013 0.000 1.191 8 T HN 0.095 nan 8.240 nan 0.000 0.508 9 P HA 0.112 nan 4.420 nan 0.000 0.228 9 P C 1.430 178.738 177.300 0.014 0.000 1.151 9 P CA 0.590 63.712 63.100 0.036 0.000 0.770 9 P CB -0.118 31.611 31.700 0.049 0.000 0.786 10 L N -0.873 120.358 121.223 0.013 0.000 2.362 10 L HA -0.131 4.209 4.340 0.001 0.000 0.219 10 L C 2.207 179.082 176.870 0.009 0.000 1.134 10 L CA 1.044 55.890 54.840 0.011 0.000 0.807 10 L CB -0.970 41.102 42.059 0.022 0.000 0.927 10 L HN 0.229 nan 8.230 nan 0.000 0.447 11 C N -1.851 117.450 119.300 0.002 0.000 2.562 11 C HA 0.423 4.883 4.460 0.001 0.000 0.266 11 C C 1.898 176.917 174.990 0.048 0.000 1.382 11 C CA -0.076 58.957 59.018 0.025 0.000 1.742 11 C CB -0.787 26.973 27.740 0.034 0.000 1.812 11 C HN 0.698 nan 8.230 nan 0.000 0.559 12 G N 1.371 110.190 108.800 0.031 0.000 2.225 12 G HA2 -0.230 3.730 3.960 0.001 0.000 0.254 12 G HA3 -0.230 3.730 3.960 0.001 0.000 0.254 12 G C 0.373 175.366 174.900 0.155 0.000 0.988 12 G CA 0.677 45.834 45.100 0.095 0.000 0.625 12 G HN 1.212 nan 8.290 nan 0.000 0.527 13 H N -1.196 117.922 119.070 0.080 0.000 2.651 13 H HA 0.763 5.319 4.556 0.001 0.000 0.241 13 H C 0.118 175.553 175.328 0.177 0.000 1.225 13 H CA 0.352 56.446 56.048 0.076 0.000 0.942 13 H CB -0.310 29.450 29.762 -0.004 0.000 1.996 13 H HN 1.176 nan 8.280 nan 0.000 0.600 14 A N 0.807 123.664 122.820 0.062 0.000 2.539 14 A HA 0.671 4.992 4.320 0.001 0.000 0.296 14 A C -1.184 176.492 177.584 0.153 0.000 1.073 14 A CA -0.758 51.369 52.037 0.150 0.000 0.700 14 A CB 2.300 21.361 19.000 0.102 0.000 1.296 14 A HN 0.287 nan 8.150 nan 0.000 0.405 15 E N -0.505 119.818 120.200 0.206 0.000 2.392 15 E HA 0.763 5.113 4.350 0.001 0.000 0.269 15 E C -0.238 176.520 176.600 0.263 0.000 0.924 15 E CA 0.081 56.586 56.400 0.176 0.000 0.784 15 E CB 2.026 31.794 29.700 0.113 0.000 1.292 15 E HN 2.114 nan 8.360 nan 0.000 0.447 16 G N 1.103 110.040 108.800 0.228 0.000 2.906 16 G HA2 -0.106 3.855 3.960 0.001 0.000 0.686 16 G HA3 -0.106 3.855 3.960 0.001 0.000 0.686 16 G C -1.171 173.963 174.900 0.390 0.000 1.170 16 G CA -0.910 44.365 45.100 0.292 0.000 0.775 16 G HN 0.598 nan 8.290 nan 0.000 0.630 17 H N 5.047 124.243 119.070 0.210 0.000 2.848 17 H HA 0.228 4.785 4.556 0.001 0.000 0.341 17 H C -0.698 174.788 175.328 0.262 0.000 1.060 17 H CA -0.524 55.622 56.048 0.164 0.000 1.444 17 H CB 1.593 31.417 29.762 0.103 0.000 1.446 17 H HN 0.302 nan 8.280 nan 0.000 0.583 18 P HA -0.149 nan 4.420 nan 0.000 0.219 18 P C 0.612 178.188 177.300 0.461 0.000 1.146 18 P CA 1.326 64.570 63.100 0.239 0.000 0.808 18 P CB 0.305 31.866 31.700 -0.231 0.000 0.779 19 E N -0.439 120.079 120.200 0.531 0.000 2.427 19 E HA 0.035 4.385 4.350 0.001 0.000 0.196 19 E C 2.061 178.768 176.600 0.178 0.000 1.028 19 E CA 0.523 57.077 56.400 0.256 0.000 0.864 19 E CB -0.204 29.537 29.700 0.068 0.000 0.813 19 E HN 0.243 nan 8.360 nan 0.000 0.514 20 A N 0.272 123.236 122.820 0.240 0.000 1.970 20 A HA -0.101 4.219 4.320 0.001 0.000 0.216 20 A C 1.618 179.279 177.584 0.128 0.000 1.170 20 A CA 0.678 52.791 52.037 0.126 0.000 0.645 20 A CB -0.467 18.598 19.000 0.108 0.000 0.816 20 A HN 0.234 nan 8.150 nan 0.000 0.447 21 Y N 0.226 120.605 120.300 0.132 0.000 2.293 21 Y HA -0.108 4.442 4.550 0.001 0.000 0.291 21 Y C 2.139 178.059 175.900 0.034 0.000 1.137 21 Y CA 1.326 59.483 58.100 0.095 0.000 1.202 21 Y CB -0.158 38.408 38.460 0.176 0.000 0.990 21 Y HN 0.182 nan 8.280 nan 0.000 0.537 22 L N -0.471 120.893 121.223 0.236 0.000 2.156 22 L HA -0.157 4.183 4.340 0.001 0.000 0.208 22 L C 2.379 179.276 176.870 0.046 0.000 1.095 22 L CA 1.208 56.114 54.840 0.110 0.000 0.770 22 L CB -0.431 41.704 42.059 0.127 0.000 0.914 22 L HN 0.268 nan 8.230 nan 0.000 0.439 23 E N 0.637 120.865 120.200 0.046 0.000 2.077 23 E HA -0.295 4.056 4.350 0.001 0.000 0.193 23 E C 2.011 178.601 176.600 -0.015 0.000 0.989 23 E CA 1.444 57.847 56.400 0.006 0.000 0.800 23 E CB 0.199 29.898 29.700 -0.002 0.000 0.746 23 E HN 0.314 nan 8.360 nan 0.000 0.452 24 E N 0.318 120.503 120.200 -0.023 0.000 2.150 24 E HA -0.120 4.230 4.350 0.001 0.000 0.193 24 E C 1.680 178.243 176.600 -0.062 0.000 0.985 24 E CA 1.273 57.643 56.400 -0.050 0.000 0.814 24 E CB -0.242 29.412 29.700 -0.077 0.000 0.752 24 E HN 0.329 nan 8.360 nan 0.000 0.466 25 A N 0.849 123.636 122.820 -0.055 0.000 1.902 25 A HA -0.198 4.122 4.320 0.001 0.000 0.217 25 A C 2.204 179.745 177.584 -0.072 0.000 1.181 25 A CA 1.711 53.697 52.037 -0.084 0.000 0.623 25 A CB -0.463 18.491 19.000 -0.077 0.000 0.818 25 A HN 0.218 nan 8.150 nan 0.000 0.443 26 R N -0.664 119.808 120.500 -0.046 0.000 2.092 26 R HA -0.016 4.324 4.340 0.001 0.000 0.231 26 R C 2.436 178.712 176.300 -0.040 0.000 1.119 26 R CA 1.089 57.166 56.100 -0.039 0.000 0.970 26 R CB -0.450 29.835 30.300 -0.025 0.000 0.864 26 R HN 0.499 nan 8.270 nan 0.000 0.440 27 A N 1.400 124.195 122.820 -0.041 0.000 2.019 27 A HA -0.117 4.204 4.320 0.001 0.000 0.219 27 A C 1.683 179.239 177.584 -0.046 0.000 1.164 27 A CA 1.189 53.203 52.037 -0.038 0.000 0.644 27 A CB -0.068 18.910 19.000 -0.036 0.000 0.805 27 A HN 0.070 nan 8.150 nan 0.000 0.449 28 K N -1.183 119.179 120.400 -0.064 0.000 2.444 28 K HA 0.140 4.461 4.320 0.001 0.000 0.193 28 K C 1.006 177.569 176.600 -0.062 0.000 1.024 28 K CA 0.662 56.904 56.287 -0.076 0.000 1.077 28 K CB -0.058 32.365 32.500 -0.127 0.000 0.833 28 K HN 0.701 nan 8.250 nan 0.000 0.517 29 G N 2.068 110.836 108.800 -0.053 0.000 2.160 29 G HA2 -0.257 3.703 3.960 0.001 0.000 0.251 29 G HA3 -0.257 3.703 3.960 0.001 0.000 0.251 29 G C 0.116 174.983 174.900 -0.054 0.000 1.008 29 G CA 0.051 45.125 45.100 -0.044 0.000 0.724 29 G HN 0.198 nan 8.290 nan 0.000 0.514 30 L N -0.808 120.370 121.223 -0.074 0.000 2.453 30 L HA 0.420 4.760 4.340 0.001 0.000 0.261 30 L C 1.446 178.259 176.870 -0.095 0.000 1.179 30 L CA -0.684 54.102 54.840 -0.091 0.000 0.813 30 L CB 0.638 42.626 42.059 -0.119 0.000 1.110 30 L HN -0.135 nan 8.230 nan 0.000 0.466 31 K N 0.930 121.252 120.400 -0.130 0.000 2.353 31 K HA 0.334 4.654 4.320 0.001 0.000 0.195 31 K C 0.297 176.830 176.600 -0.113 0.000 1.031 31 K CA 0.059 56.271 56.287 -0.125 0.000 1.079 31 K CB 1.023 33.423 32.500 -0.168 0.000 0.857 31 K HN 0.815 nan 8.250 nan 0.000 0.535 32 G N -0.502 108.218 108.800 -0.134 0.000 2.523 32 G HA2 0.457 4.417 3.960 0.001 0.000 0.291 32 G HA3 0.457 4.417 3.960 0.001 0.000 0.291 32 G C -1.778 173.027 174.900 -0.158 0.000 1.450 32 G CA -0.509 44.524 45.100 -0.111 0.000 0.790 32 G HN -0.163 nan 8.290 nan 0.000 0.496 33 V N -0.301 119.471 119.914 -0.236 0.000 2.851 33 V HA 0.599 4.719 4.120 0.001 0.000 0.307 33 V C -0.641 175.223 176.094 -0.383 0.000 1.129 33 V CA -0.683 61.433 62.300 -0.307 0.000 0.932 33 V CB 2.052 33.617 31.823 -0.430 0.000 1.024 33 V HN 0.759 nan 8.190 nan 0.000 0.426 34 V N 4.845 124.606 119.914 -0.256 0.000 2.334 34 V HA 0.478 4.598 4.120 0.001 0.000 0.281 34 V C -0.483 175.535 176.094 -0.127 0.000 1.016 34 V CA -0.503 61.726 62.300 -0.119 0.000 0.832 34 V CB 1.255 33.151 31.823 0.122 0.000 0.999 34 V HN 0.656 nan 8.190 nan 0.000 0.439 35 F N 3.208 123.139 119.950 -0.032 0.000 2.456 35 F HA 0.410 4.938 4.527 0.001 0.000 0.358 35 F C 1.174 176.996 175.800 0.037 0.000 1.095 35 F CA 0.024 58.000 58.000 -0.040 0.000 1.216 35 F CB 1.337 40.282 39.000 -0.092 0.000 1.125 35 F HN 0.537 nan 8.300 nan 0.000 0.549 36 T N -0.446 114.141 114.554 0.055 0.000 3.658 36 T HA 0.197 4.548 4.350 0.001 0.000 0.245 36 T C -0.585 173.916 174.700 -0.332 0.000 1.292 36 T CA -0.948 61.087 62.100 -0.108 0.000 1.598 36 T CB -0.165 68.540 68.868 -0.272 0.000 0.861 36 T HN 0.351 nan 8.240 nan 0.000 0.663 37 D N 1.595 121.906 120.400 -0.149 0.000 2.360 37 D HA 0.071 4.711 4.640 0.001 0.000 0.242 37 D C 0.353 176.531 176.300 -0.203 0.000 1.184 37 D CA -0.202 53.679 54.000 -0.198 0.000 0.930 37 D CB 0.567 41.256 40.800 -0.185 0.000 1.161 37 D HN 0.415 nan 8.370 nan 0.000 0.447 38 H N 0.516 119.658 119.070 0.119 0.000 3.070 38 H HA 0.066 4.622 4.556 0.001 0.000 0.313 38 H C 0.516 175.807 175.328 -0.062 0.000 0.997 38 H CA 0.086 56.184 56.048 0.084 0.000 1.438 38 H CB 0.011 29.852 29.762 0.132 0.000 1.455 38 H HN 0.257 nan 8.280 nan 0.000 0.575 39 S N 4.380 120.103 115.700 0.038 0.000 2.593 39 S HA 0.230 4.700 4.470 0.001 0.000 0.269 39 S C -2.479 172.141 174.600 0.033 0.000 1.334 39 S CA -1.348 56.826 58.200 -0.043 0.000 1.015 39 S CB 1.169 64.333 63.200 -0.061 0.000 0.912 39 S HN 0.316 nan 8.310 nan 0.000 0.541 40 P HA 0.307 nan 4.420 nan 0.000 0.271 40 P C -0.453 176.938 177.300 0.152 0.000 1.233 40 P CA -0.181 62.984 63.100 0.107 0.000 0.789 40 P CB 0.355 32.153 31.700 0.163 0.000 0.951 41 M N 0.245 119.817 119.600 -0.045 0.000 2.683 41 M HA 0.393 4.874 4.480 0.001 0.000 0.274 41 M C -2.690 173.054 176.300 -0.927 0.000 1.272 41 M CA -2.576 52.432 55.300 -0.486 0.000 0.833 41 M CB 1.166 33.518 32.600 -0.412 0.000 1.708 41 M HN 0.009 nan 8.290 nan 0.000 0.463 42 P HA 0.083 nan 4.420 nan 0.000 0.265 42 P C -1.951 174.811 177.300 -0.896 0.000 1.187 42 P CA -0.453 61.904 63.100 -1.238 0.000 0.766 42 P CB -0.112 30.792 31.700 -1.327 0.000 0.820 43 P HA -0.199 nan 4.420 nan 0.000 0.218 43 P C 1.037 178.227 177.300 -0.183 0.000 1.150 43 P CA 1.604 64.566 63.100 -0.231 0.000 0.841 43 P CB -0.443 31.223 31.700 -0.057 0.000 0.784 44 W N -2.657 118.596 121.300 -0.080 0.000 2.905 44 W HA 0.099 4.760 4.660 0.001 0.000 0.251 44 W C 0.216 176.663 176.519 -0.120 0.000 1.305 44 W CA -0.307 56.987 57.345 -0.085 0.000 1.465 44 W CB -1.393 28.021 29.460 -0.077 0.000 1.122 44 W HN -0.007 nan 8.180 nan 0.000 0.659 45 Y N 4.323 124.185 120.300 -0.730 0.000 2.477 45 Y HA 0.187 4.737 4.550 0.001 0.000 0.349 45 Y C 0.567 176.217 175.900 -0.416 0.000 0.977 45 Y CA -0.484 57.200 58.100 -0.693 0.000 1.214 45 Y CB -0.060 37.706 38.460 -1.157 0.000 1.124 45 Y HN -0.005 nan 8.280 nan 0.000 0.521 46 D N 6.950 126.975 120.400 -0.625 0.000 2.779 46 D HA -0.198 4.442 4.640 0.001 0.000 0.223 46 D C -1.780 174.437 176.300 -0.139 0.000 1.227 46 D CA 0.651 54.454 54.000 -0.328 0.000 0.653 46 D CB 0.246 40.808 40.800 -0.396 0.000 0.973 46 D HN 0.478 nan 8.370 nan 0.000 0.402 47 P HA -0.139 nan 4.420 nan 0.000 0.223 47 P C 0.900 178.186 177.300 -0.023 0.000 1.151 47 P CA 0.906 63.971 63.100 -0.058 0.000 0.787 47 P CB 0.221 31.889 31.700 -0.054 0.000 0.788 48 E N -0.078 120.112 120.200 -0.016 0.000 2.358 48 E HA 0.015 4.365 4.350 0.001 0.000 0.195 48 E C 1.041 177.658 176.600 0.027 0.000 1.010 48 E CA 0.594 57.001 56.400 0.011 0.000 0.856 48 E CB -0.105 29.608 29.700 0.020 0.000 0.795 48 E HN 0.266 nan 8.360 nan 0.000 0.504 49 S N 0.616 116.312 115.700 -0.007 0.000 2.575 49 S HA 0.131 4.601 4.470 0.001 0.000 0.237 49 S C 0.162 174.788 174.600 0.044 0.000 0.975 49 S CA -0.367 57.837 58.200 0.005 0.000 0.960 49 S CB 0.065 63.131 63.200 -0.224 0.000 0.822 49 S HN 0.223 nan 8.310 nan 0.000 0.472 50 R N 0.441 120.972 120.500 0.052 0.000 2.716 50 R HA 0.531 4.871 4.340 0.001 0.000 0.271 50 R C -0.695 175.630 176.300 0.041 0.000 1.028 50 R CA -1.103 55.044 56.100 0.079 0.000 0.883 50 R CB 0.685 31.037 30.300 0.087 0.000 1.250 50 R HN 0.207 nan 8.270 nan 0.000 0.465 51 M N 0.691 120.304 119.600 0.021 0.000 2.245 51 M HA 0.344 4.824 4.480 0.001 0.000 0.330 51 M C -0.272 176.035 176.300 0.011 0.000 1.098 51 M CA -0.095 55.206 55.300 0.000 0.000 1.172 51 M CB 0.636 33.213 32.600 -0.037 0.000 1.467 51 M HN 0.406 nan 8.290 nan 0.000 0.454 52 R N 1.247 121.756 120.500 0.015 0.000 2.641 52 R HA 0.141 4.482 4.340 0.001 0.000 0.269 52 R C 1.003 177.334 176.300 0.050 0.000 1.074 52 R CA -0.572 55.543 56.100 0.025 0.000 1.133 52 R CB 0.619 30.930 30.300 0.018 0.000 1.029 52 R HN 0.789 nan 8.270 nan 0.000 0.488 53 L N 2.142 123.412 121.223 0.078 0.000 2.042 53 L HA -0.186 4.155 4.340 0.001 0.000 0.210 53 L C 1.656 178.577 176.870 0.085 0.000 1.076 53 L CA 1.938 56.841 54.840 0.106 0.000 0.749 53 L CB -0.358 41.800 42.059 0.164 0.000 0.893 53 L HN 0.577 nan 8.230 nan 0.000 0.432 54 E N -0.330 119.917 120.200 0.077 0.000 2.409 54 E HA -0.067 4.283 4.350 0.001 0.000 0.198 54 E C 1.889 178.559 176.600 0.116 0.000 1.024 54 E CA 0.915 57.365 56.400 0.084 0.000 0.861 54 E CB -0.141 29.599 29.700 0.066 0.000 0.788 54 E HN 0.652 nan 8.360 nan 0.000 0.521 55 A N 0.366 123.249 122.820 0.104 0.000 2.220 55 A HA 0.040 4.360 4.320 0.001 0.000 0.211 55 A C 1.982 179.690 177.584 0.206 0.000 1.176 55 A CA -0.096 52.028 52.037 0.146 0.000 0.834 55 A CB -0.128 18.903 19.000 0.052 0.000 0.868 55 A HN 0.196 nan 8.150 nan 0.000 0.488 56 L N 0.923 122.230 121.223 0.141 0.000 2.051 56 L HA -0.104 4.236 4.340 0.001 0.000 0.214 56 L C -0.896 176.058 176.870 0.141 0.000 1.076 56 L CA 2.518 57.439 54.840 0.136 0.000 0.758 56 L CB -1.151 40.970 42.059 0.104 0.000 0.890 56 L HN 0.154 nan 8.230 nan 0.000 0.433 57 P HA -0.165 nan 4.420 nan 0.000 0.218 57 P C 1.489 178.717 177.300 -0.121 0.000 1.148 57 P CA 1.587 64.667 63.100 -0.033 0.000 0.822 57 P CB -0.140 31.526 31.700 -0.057 0.000 0.784 58 F N -2.898 117.055 119.950 0.006 0.000 2.259 58 F HA -0.120 4.408 4.527 0.001 0.000 0.298 58 F C 2.386 178.180 175.800 -0.009 0.000 1.088 58 F CA 0.958 58.952 58.000 -0.010 0.000 1.358 58 F CB -0.866 38.133 39.000 -0.003 0.000 1.040 58 F HN -0.088 nan 8.300 nan 0.000 0.505 59 Y N 0.709 121.031 120.300 0.036 0.000 2.163 59 Y HA -0.172 4.379 4.550 0.001 0.000 0.288 59 Y C 1.976 177.788 175.900 -0.146 0.000 1.136 59 Y CA 1.518 59.582 58.100 -0.060 0.000 1.147 59 Y CB -0.579 37.860 38.460 -0.035 0.000 0.987 59 Y HN -0.047 nan 8.280 nan 0.000 0.509 60 L N -0.524 120.603 121.223 -0.159 0.000 1.994 60 L HA -0.232 4.108 4.340 0.001 0.000 0.208 60 L C 2.514 179.202 176.870 -0.304 0.000 1.071 60 L CA 1.382 55.989 54.840 -0.389 0.000 0.745 60 L CB -0.801 40.947 42.059 -0.519 0.000 0.892 60 L HN 0.265 nan 8.230 nan 0.000 0.431 61 L N -0.301 120.780 121.223 -0.237 0.000 2.017 61 L HA -0.207 4.134 4.340 0.001 0.000 0.208 61 L C 2.903 179.660 176.870 -0.188 0.000 1.073 61 L CA 1.241 55.958 54.840 -0.206 0.000 0.745 61 L CB -0.714 41.184 42.059 -0.269 0.000 0.894 61 L HN 0.253 nan 8.230 nan 0.000 0.432 62 A N 0.041 122.744 122.820 -0.195 0.000 1.877 62 A HA -0.172 4.149 4.320 0.001 0.000 0.216 62 A C 2.224 179.663 177.584 -0.242 0.000 1.186 62 A CA 1.466 53.395 52.037 -0.181 0.000 0.620 62 A CB -0.757 18.148 19.000 -0.159 0.000 0.822 62 A HN 0.367 nan 8.150 nan 0.000 0.443 63 L N -0.783 120.222 121.223 -0.363 0.000 2.201 63 L HA -0.178 4.163 4.340 0.001 0.000 0.212 63 L C 2.499 179.240 176.870 -0.215 0.000 1.105 63 L CA 1.336 55.936 54.840 -0.400 0.000 0.775 63 L CB -0.583 41.115 42.059 -0.601 0.000 0.913 63 L HN 0.504 nan 8.230 nan 0.000 0.440 64 E N -0.064 120.037 120.200 -0.165 0.000 2.106 64 E HA -0.248 4.102 4.350 0.001 0.000 0.192 64 E C 2.214 178.777 176.600 -0.062 0.000 0.984 64 E CA 0.877 57.231 56.400 -0.076 0.000 0.806 64 E CB 0.026 29.698 29.700 -0.047 0.000 0.750 64 E HN 0.294 nan 8.360 nan 0.000 0.458 65 R N 0.655 121.108 120.500 -0.080 0.000 2.073 65 R HA -0.094 4.246 4.340 0.001 0.000 0.229 65 R C 2.131 178.410 176.300 -0.036 0.000 1.120 65 R CA 0.874 56.944 56.100 -0.050 0.000 0.967 65 R CB -0.274 29.995 30.300 -0.052 0.000 0.862 65 R HN -0.029 nan 8.270 nan 0.000 0.436 66 V N 1.092 120.970 119.914 -0.060 0.000 2.343 66 V HA -0.231 3.890 4.120 0.001 0.000 0.247 66 V C 2.533 178.625 176.094 -0.003 0.000 1.051 66 V CA 2.203 64.486 62.300 -0.027 0.000 1.036 66 V CB -0.620 31.156 31.823 -0.078 0.000 0.654 66 V HN 0.407 nan 8.190 nan 0.000 0.451 67 R N 0.648 121.137 120.500 -0.019 0.000 2.081 67 R HA -0.225 4.116 4.340 0.001 0.000 0.235 67 R C 2.397 178.706 176.300 0.015 0.000 1.131 67 R CA 2.063 58.166 56.100 0.005 0.000 0.960 67 R CB -0.251 30.050 30.300 0.003 0.000 0.856 67 R HN 0.820 nan 8.270 nan 0.000 0.436 68 E N -0.185 120.019 120.200 0.006 0.000 2.204 68 E HA -0.201 4.149 4.350 0.001 0.000 0.194 68 E C 1.823 178.430 176.600 0.012 0.000 0.989 68 E CA 0.887 57.292 56.400 0.010 0.000 0.824 68 E CB -0.150 29.551 29.700 0.002 0.000 0.756 68 E HN 0.330 nan 8.360 nan 0.000 0.477 69 R N 0.521 121.028 120.500 0.012 0.000 2.240 69 R HA 0.160 4.500 4.340 0.001 0.000 0.203 69 R C 0.650 176.961 176.300 0.018 0.000 1.011 69 R CA 0.744 56.853 56.100 0.014 0.000 1.007 69 R CB 0.342 30.652 30.300 0.017 0.000 0.911 69 R HN 0.131 nan 8.270 nan 0.000 0.468 70 A N 0.870 123.704 122.820 0.024 0.000 3.232 70 A HA 0.155 4.475 4.320 0.001 0.000 0.312 70 A C 0.637 178.236 177.584 0.026 0.000 1.185 70 A CA -0.515 51.537 52.037 0.026 0.000 1.011 70 A CB 0.421 19.442 19.000 0.036 0.000 1.096 70 A HN 0.040 nan 8.150 nan 0.000 0.543 71 Q N 0.959 120.772 119.800 0.022 0.000 2.297 71 Q HA -0.188 4.152 4.340 0.001 0.000 0.208 71 Q C 1.025 177.040 176.000 0.025 0.000 0.981 71 Q CA 1.737 57.555 55.803 0.025 0.000 0.876 71 Q CB -0.018 28.731 28.738 0.018 0.000 0.921 71 Q HN 0.968 nan 8.270 nan 0.000 0.446 72 D N -0.840 119.570 120.400 0.018 0.000 2.347 72 D HA -0.039 4.601 4.640 0.001 0.000 0.213 72 D C 0.632 176.939 176.300 0.012 0.000 0.985 72 D CA 0.213 54.220 54.000 0.011 0.000 0.879 72 D CB 0.175 40.976 40.800 0.003 0.000 0.919 72 D HN 0.158 nan 8.370 nan 0.000 0.526 73 L N -0.382 120.854 121.223 0.022 0.000 2.333 73 L HA 0.355 4.696 4.340 0.001 0.000 0.263 73 L C -0.917 175.998 176.870 0.075 0.000 1.014 73 L CA -1.633 53.221 54.840 0.024 0.000 0.820 73 L CB 1.860 43.917 42.059 -0.004 0.000 1.352 73 L HN -0.148 nan 8.230 nan 0.000 0.421 74 Y N 1.486 121.752 120.300 -0.056 0.000 2.336 74 Y HA 0.512 5.063 4.550 0.001 0.000 0.335 74 Y C -0.809 175.085 175.900 -0.011 0.000 1.046 74 Y CA -0.859 57.221 58.100 -0.033 0.000 1.198 74 Y CB 1.130 39.542 38.460 -0.081 0.000 1.182 74 Y HN 0.158 nan 8.280 nan 0.000 0.502 75 V N 7.396 127.053 119.914 -0.428 0.000 2.304 75 V HA 0.486 4.606 4.120 0.001 0.000 0.278 75 V C 0.516 176.275 176.094 -0.559 0.000 1.018 75 V CA -0.535 61.531 62.300 -0.391 0.000 0.814 75 V CB 0.902 32.691 31.823 -0.057 0.000 1.021 75 V HN 1.053 nan 8.190 nan 0.000 0.440 76 G N 4.523 112.859 108.800 -0.774 0.000 2.420 76 G HA2 0.670 4.631 3.960 0.001 0.000 0.284 76 G HA3 0.670 4.631 3.960 0.001 0.000 0.284 76 G C -0.552 174.380 174.900 0.054 0.000 1.177 76 G CA -0.477 44.419 45.100 -0.339 0.000 0.841 76 G HN 0.636 nan 8.290 nan 0.000 0.527 77 I N 2.436 123.122 120.570 0.192 0.000 2.428 77 I HA 0.449 4.619 4.170 0.001 0.000 0.279 77 I C 0.763 177.163 176.117 0.472 0.000 1.040 77 I CA -0.310 61.136 61.300 0.243 0.000 1.171 77 I CB 1.332 39.429 38.000 0.160 0.000 1.312 77 I HN 0.623 nan 8.210 nan 0.000 0.470 78 G N 6.180 115.257 108.800 0.463 0.000 3.243 78 G HA2 0.902 4.863 3.960 0.001 0.000 0.248 78 G HA3 0.902 4.863 3.960 0.001 0.000 0.248 78 G C -1.145 173.886 174.900 0.219 0.000 1.267 78 G CA -0.556 44.807 45.100 0.439 0.000 0.906 78 G HN 0.317 nan 8.290 nan 0.000 0.592 79 L N -0.754 120.410 121.223 -0.098 0.000 2.540 79 L HA 0.450 4.790 4.340 0.001 0.000 0.256 79 L C -1.096 175.588 176.870 -0.310 0.000 1.001 79 L CA -0.696 53.996 54.840 -0.246 0.000 0.843 79 L CB 3.003 44.789 42.059 -0.455 0.000 1.436 79 L HN 0.630 nan 8.230 nan 0.000 0.410 80 E N 1.560 121.596 120.200 -0.273 0.000 2.063 80 E HA 0.600 4.950 4.350 0.001 0.000 0.265 80 E C -0.995 175.549 176.600 -0.093 0.000 0.919 80 E CA -0.464 55.786 56.400 -0.250 0.000 0.756 80 E CB 1.470 31.067 29.700 -0.171 0.000 1.120 80 E HN 0.621 nan 8.360 nan 0.000 0.414 81 A N 4.415 127.151 122.820 -0.141 0.000 2.306 81 A HA 0.355 4.675 4.320 0.001 0.000 0.314 81 A C -0.618 176.942 177.584 -0.041 0.000 1.164 81 A CA -0.700 51.322 52.037 -0.025 0.000 0.822 81 A CB 0.839 19.893 19.000 0.090 0.000 1.130 81 A HN 0.679 nan 8.150 nan 0.000 0.496 82 D N 0.484 120.913 120.400 0.048 0.000 2.256 82 D HA 0.422 5.062 4.640 0.001 0.000 0.250 82 D C -0.884 175.453 176.300 0.061 0.000 1.093 82 D CA 0.474 54.498 54.000 0.039 0.000 0.882 82 D CB 0.842 41.677 40.800 0.058 0.000 1.185 82 D HN 0.352 nan 8.370 nan 0.000 0.437 83 F N 3.057 122.987 119.950 -0.034 0.000 2.405 83 F HA 0.399 4.927 4.527 0.001 0.000 0.355 83 F C -0.855 175.017 175.800 0.120 0.000 1.121 83 F CA -0.566 57.497 58.000 0.105 0.000 1.112 83 F CB 0.580 39.648 39.000 0.114 0.000 1.126 83 F HN 0.319 nan 8.300 nan 0.000 0.481 84 H N 6.583 125.146 119.070 -0.845 0.000 3.181 84 H HA 0.414 4.970 4.556 0.001 0.000 0.331 84 H C -2.817 172.112 175.328 -0.665 0.000 0.988 84 H CA -2.264 53.419 56.048 -0.607 0.000 1.449 84 H CB 1.653 31.214 29.762 -0.334 0.000 1.749 84 H HN 0.342 nan 8.280 nan 0.000 0.501 85 P HA 0.064 nan 4.420 nan 0.000 0.259 85 P C 0.784 177.913 177.300 -0.286 0.000 1.163 85 P CA 2.233 65.031 63.100 -0.503 0.000 0.760 85 P CB 0.555 32.055 31.700 -0.333 0.000 0.762 86 G N 2.324 111.040 108.800 -0.140 0.000 2.213 86 G HA2 -0.254 3.707 3.960 0.001 0.000 0.226 86 G HA3 -0.254 3.707 3.960 0.001 0.000 0.226 86 G C 0.741 175.666 174.900 0.041 0.000 0.992 86 G CA 0.387 45.472 45.100 -0.025 0.000 0.632 86 G HN 0.640 nan 8.290 nan 0.000 0.511 87 T N -1.627 112.922 114.554 -0.009 0.000 3.054 87 T HA 0.429 4.779 4.350 0.001 0.000 0.255 87 T C 1.473 176.200 174.700 0.045 0.000 1.035 87 T CA 1.036 63.140 62.100 0.008 0.000 0.941 87 T CB 0.537 69.317 68.868 -0.147 0.000 1.026 87 T HN 0.246 nan 8.240 nan 0.000 0.533 88 E N 2.068 122.284 120.200 0.026 0.000 2.085 88 E HA 0.027 4.378 4.350 0.001 0.000 0.194 88 E C 2.390 179.024 176.600 0.055 0.000 0.994 88 E CA 1.535 57.965 56.400 0.049 0.000 0.801 88 E CB -0.877 28.858 29.700 0.058 0.000 0.743 88 E HN 0.621 nan 8.360 nan 0.000 0.453 89 G N 0.220 109.061 108.800 0.069 0.000 2.440 89 G HA2 -0.303 3.657 3.960 0.001 0.000 0.218 89 G HA3 -0.303 3.657 3.960 0.001 0.000 0.218 89 G C 1.454 176.402 174.900 0.079 0.000 1.154 89 G CA 0.741 45.877 45.100 0.061 0.000 0.767 89 G HN 0.290 nan 8.290 nan 0.000 0.552 90 F N 0.958 120.896 119.950 -0.020 0.000 2.102 90 F HA 0.026 4.553 4.527 0.001 0.000 0.298 90 F C 2.459 178.238 175.800 -0.036 0.000 1.105 90 F CA 1.257 59.240 58.000 -0.028 0.000 1.239 90 F CB -0.178 38.790 39.000 -0.053 0.000 0.991 90 F HN 0.040 nan 8.300 nan 0.000 0.474 91 L N -0.025 121.302 121.223 0.174 0.000 2.017 91 L HA -0.223 4.117 4.340 0.001 0.000 0.208 91 L C 2.846 179.681 176.870 -0.059 0.000 1.073 91 L CA 1.244 56.115 54.840 0.053 0.000 0.745 91 L CB -1.174 40.941 42.059 0.092 0.000 0.894 91 L HN 0.305 nan 8.230 nan 0.000 0.432 92 A N -0.717 122.072 122.820 -0.051 0.000 1.917 92 A HA -0.308 4.012 4.320 0.001 0.000 0.219 92 A C 2.197 179.744 177.584 -0.062 0.000 1.182 92 A CA 1.918 53.918 52.037 -0.062 0.000 0.633 92 A CB -0.575 18.396 19.000 -0.048 0.000 0.819 92 A HN 0.484 nan 8.150 nan 0.000 0.448 93 Q N -1.311 118.431 119.800 -0.097 0.000 2.050 93 Q HA -0.166 4.175 4.340 0.001 0.000 0.202 93 Q C 2.141 178.075 176.000 -0.111 0.000 0.980 93 Q CA 1.563 57.300 55.803 -0.110 0.000 0.840 93 Q CB -0.272 28.370 28.738 -0.159 0.000 0.898 93 Q HN 0.643 nan 8.270 nan 0.000 0.424 94 L N 0.562 121.666 121.223 -0.198 0.000 2.012 94 L HA -0.205 4.135 4.340 0.001 0.000 0.210 94 L C 1.958 178.887 176.870 0.099 0.000 1.073 94 L CA 1.688 56.456 54.840 -0.121 0.000 0.748 94 L CB -0.397 41.527 42.059 -0.225 0.000 0.891 94 L HN 0.218 nan 8.230 nan 0.000 0.431 95 L N -0.209 121.060 121.223 0.077 0.000 2.191 95 L HA -0.152 4.189 4.340 0.001 0.000 0.212 95 L C 2.501 179.512 176.870 0.235 0.000 1.103 95 L CA 1.417 56.382 54.840 0.208 0.000 0.769 95 L CB -0.641 41.450 42.059 0.053 0.000 0.908 95 L HN 0.453 nan 8.230 nan 0.000 0.438 96 R N -0.906 119.660 120.500 0.110 0.000 2.310 96 R HA 0.062 4.402 4.340 0.001 0.000 0.202 96 R C 1.592 177.931 176.300 0.066 0.000 0.933 96 R CA -0.072 56.073 56.100 0.076 0.000 1.054 96 R CB -0.037 30.280 30.300 0.028 0.000 0.985 96 R HN 0.126 nan 8.270 nan 0.000 0.489 97 R N -0.108 120.454 120.500 0.104 0.000 2.276 97 R HA 0.131 4.471 4.340 0.001 0.000 0.196 97 R C -0.479 175.879 176.300 0.097 0.000 0.961 97 R CA 0.444 56.593 56.100 0.082 0.000 1.024 97 R CB -0.175 30.174 30.300 0.081 0.000 0.940 97 R HN 0.257 nan 8.270 nan 0.000 0.480 98 Y N 0.581 120.810 120.300 -0.117 0.000 2.544 98 Y HA 0.311 4.862 4.550 0.001 0.000 0.342 98 Y C -2.395 173.298 175.900 -0.345 0.000 1.062 98 Y CA -2.484 55.406 58.100 -0.349 0.000 1.023 98 Y CB 2.529 40.549 38.460 -0.733 0.000 1.308 98 Y HN -0.156 nan 8.280 nan 0.000 0.457 99 P HA 0.131 nan 4.420 nan 0.000 0.230 99 P C -0.835 176.381 177.300 -0.140 0.000 1.791 99 P CA 0.239 63.130 63.100 -0.349 0.000 1.020 99 P CB -0.898 30.571 31.700 -0.385 0.000 1.977 100 F N 1.468 121.577 119.950 0.266 0.000 2.607 100 F HA -0.035 4.493 4.527 0.001 0.000 0.374 100 F C 1.833 177.821 175.800 0.313 0.000 1.104 100 F CA 0.732 58.948 58.000 0.359 0.000 1.296 100 F CB 0.193 39.376 39.000 0.305 0.000 1.085 100 F HN 0.174 nan 8.300 nan 0.000 0.584 101 D N 1.113 121.821 120.400 0.513 0.000 2.149 101 D HA -0.164 4.476 4.640 0.001 0.000 0.201 101 D C -0.321 176.279 176.300 0.501 0.000 0.972 101 D CA 1.642 55.910 54.000 0.446 0.000 0.835 101 D CB 0.130 41.203 40.800 0.456 0.000 0.966 101 D HN 0.401 nan 8.370 nan 0.000 0.476 102 Y N 0.028 120.530 120.300 0.338 0.000 2.482 102 Y HA 0.336 4.886 4.550 0.001 0.000 0.334 102 Y C -1.750 174.286 175.900 0.227 0.000 1.091 102 Y CA -1.087 57.142 58.100 0.214 0.000 1.027 102 Y CB 1.389 39.932 38.460 0.139 0.000 1.306 102 Y HN -0.398 nan 8.280 nan 0.000 0.446 103 V N 7.754 127.670 119.914 0.005 0.000 2.409 103 V HA 0.449 4.569 4.120 0.001 0.000 0.290 103 V C -0.181 175.580 176.094 -0.554 0.000 1.017 103 V CA -0.749 61.360 62.300 -0.319 0.000 0.841 103 V CB 1.323 33.012 31.823 -0.224 0.000 1.003 103 V HN 0.666 nan 8.190 nan 0.000 0.426 104 I N 3.633 123.793 120.570 -0.683 0.000 2.396 104 I HA 0.569 4.739 4.170 0.001 0.000 0.292 104 I C 0.956 176.704 176.117 -0.615 0.000 0.999 104 I CA -0.040 60.873 61.300 -0.645 0.000 1.310 104 I CB 1.523 39.128 38.000 -0.659 0.000 1.404 104 I HN 0.704 nan 8.210 nan 0.000 0.496 105 G N 3.928 112.217 108.800 -0.852 0.000 2.384 105 G HA2 0.564 4.525 3.960 0.001 0.000 0.316 105 G HA3 0.564 4.525 3.960 0.001 0.000 0.316 105 G C -0.817 173.554 174.900 -0.881 0.000 1.160 105 G CA -0.210 43.866 45.100 -1.706 0.000 0.936 105 G HN 0.553 nan 8.290 nan 0.000 0.455 106 S N 0.288 115.611 115.700 -0.627 0.000 2.542 106 S HA 0.604 5.074 4.470 0.001 0.000 0.293 106 S C -0.397 173.993 174.600 -0.350 0.000 1.089 106 S CA -0.574 57.357 58.200 -0.448 0.000 0.961 106 S CB 2.211 65.137 63.200 -0.456 0.000 1.062 106 S HN 0.466 nan 8.310 nan 0.000 0.483 107 V N 2.506 122.275 119.914 -0.243 0.000 2.370 107 V HA 0.363 4.484 4.120 0.001 0.000 0.283 107 V C -0.288 175.797 176.094 -0.014 0.000 1.023 107 V CA -0.302 61.929 62.300 -0.115 0.000 0.857 107 V CB 0.959 32.573 31.823 -0.349 0.000 0.985 107 V HN 1.039 nan 8.190 nan 0.000 0.443 108 H N 2.625 121.890 119.070 0.325 0.000 3.233 108 H HA 0.367 4.923 4.556 0.001 0.000 0.263 108 H C -0.922 174.429 175.328 0.038 0.000 1.168 108 H CA -0.006 56.163 56.048 0.202 0.000 1.159 108 H CB 0.753 30.644 29.762 0.215 0.000 1.593 108 H HN 0.551 nan 8.280 nan 0.000 0.580 109 Y N 0.629 121.026 120.300 0.161 0.000 2.512 109 Y HA 0.445 4.996 4.550 0.001 0.000 0.348 109 Y C -0.897 175.071 175.900 0.113 0.000 0.990 109 Y CA -1.044 57.099 58.100 0.072 0.000 1.033 109 Y CB 1.975 40.483 38.460 0.079 0.000 1.259 109 Y HN -0.076 nan 8.280 nan 0.000 0.461 110 L N 3.250 124.599 121.223 0.209 0.000 2.388 110 L HA 0.569 4.909 4.340 0.001 0.000 0.267 110 L C 0.597 177.649 176.870 0.302 0.000 0.995 110 L CA -0.276 54.702 54.840 0.229 0.000 0.864 110 L CB 0.977 43.153 42.059 0.195 0.000 1.216 110 L HN 0.975 nan 8.230 nan 0.000 0.430 111 G N 2.975 111.953 108.800 0.296 0.000 2.556 111 G HA2 -0.351 3.610 3.960 0.001 0.000 0.283 111 G HA3 -0.351 3.610 3.960 0.001 0.000 0.283 111 G C 0.607 175.711 174.900 0.341 0.000 1.177 111 G CA 0.371 45.628 45.100 0.261 0.000 0.978 111 G HN 0.802 nan 8.290 nan 0.000 0.554 112 A N -1.063 121.915 122.820 0.263 0.000 2.345 112 A HA 0.471 4.791 4.320 0.001 0.000 0.225 112 A C 0.469 178.264 177.584 0.350 0.000 1.243 112 A CA 1.048 53.249 52.037 0.273 0.000 0.875 112 A CB -0.157 18.912 19.000 0.114 0.000 0.929 112 A HN 1.321 nan 8.150 nan 0.000 0.502 113 W N 2.693 124.035 121.300 0.071 0.000 2.316 113 W HA 0.485 5.146 4.660 0.001 0.000 0.308 113 W C -2.809 173.488 176.519 -0.369 0.000 1.106 113 W CA -3.225 54.033 57.345 -0.146 0.000 1.262 113 W CB 1.316 30.683 29.460 -0.156 0.000 1.233 113 W HN 0.006 nan 8.180 nan 0.000 0.447 114 P HA -0.027 nan 4.420 nan 0.000 0.247 114 P C 1.119 177.853 177.300 -0.943 0.000 1.756 114 P CA 0.078 62.470 63.100 -1.180 0.000 1.117 114 P CB -0.220 30.972 31.700 -0.846 0.000 1.869 115 L N 1.250 121.646 121.223 -1.378 0.000 2.351 115 L HA -0.125 4.215 4.340 0.001 0.000 0.220 115 L C 1.007 177.632 176.870 -0.407 0.000 1.127 115 L CA 1.854 55.741 54.840 -1.588 0.000 0.786 115 L CB -0.870 40.200 42.059 -1.648 0.000 0.914 115 L HN 0.100 nan 8.230 nan 0.000 0.443 116 D N -2.343 117.909 120.400 -0.247 0.000 2.363 116 D HA -0.072 4.568 4.640 0.001 0.000 0.214 116 D C 0.563 176.947 176.300 0.140 0.000 1.093 116 D CA -0.231 53.749 54.000 -0.033 0.000 0.837 116 D CB -0.550 40.117 40.800 -0.221 0.000 0.948 116 D HN 0.417 nan 8.370 nan 0.000 0.507 117 H N 1.659 120.754 119.070 0.042 0.000 2.819 117 H HA 0.161 4.717 4.556 0.001 0.000 0.303 117 H C -1.676 173.736 175.328 0.140 0.000 1.058 117 H CA -1.542 54.535 56.048 0.049 0.000 1.471 117 H CB 1.827 31.610 29.762 0.036 0.000 1.480 117 H HN -0.160 nan 8.280 nan 0.000 0.517 118 P HA -0.137 nan 4.420 nan 0.000 0.218 118 P C 0.865 178.164 177.300 -0.002 0.000 1.148 118 P CA 1.118 64.309 63.100 0.152 0.000 0.822 118 P CB 0.458 32.237 31.700 0.131 0.000 0.784 119 D N -2.260 118.206 120.400 0.110 0.000 2.312 119 D HA -0.103 4.538 4.640 0.001 0.000 0.211 119 D C 0.859 176.814 176.300 -0.574 0.000 0.964 119 D CA 1.108 54.916 54.000 -0.319 0.000 0.877 119 D CB -0.285 40.172 40.800 -0.572 0.000 0.924 119 D HN 0.398 nan 8.370 nan 0.000 0.515 120 H N 0.078 119.154 119.070 0.010 0.000 2.567 120 H HA 0.111 4.667 4.556 0.001 0.000 0.267 120 H C 1.454 176.870 175.328 0.147 0.000 1.148 120 H CA 0.026 56.107 56.048 0.055 0.000 1.031 120 H CB 0.323 30.159 29.762 0.123 0.000 1.691 120 H HN 0.360 nan 8.280 nan 0.000 0.588 121 Q N 0.195 119.992 119.800 -0.004 0.000 2.364 121 Q HA -0.082 4.258 4.340 0.001 0.000 0.207 121 Q C 1.717 177.828 176.000 0.184 0.000 0.970 121 Q CA 1.355 57.124 55.803 -0.057 0.000 0.888 121 Q CB -0.284 27.872 28.738 -0.970 0.000 0.951 121 Q HN 0.442 nan 8.270 nan 0.000 0.469 122 E N 2.134 122.398 120.200 0.107 0.000 2.265 122 E HA -0.224 4.127 4.350 0.001 0.000 0.196 122 E C 1.640 178.371 176.600 0.218 0.000 0.996 122 E CA 1.335 57.825 56.400 0.150 0.000 0.832 122 E CB -0.574 29.196 29.700 0.116 0.000 0.756 122 E HN 0.627 nan 8.360 nan 0.000 0.491 123 E N -0.729 119.532 120.200 0.101 0.000 2.204 123 E HA -0.141 4.209 4.350 0.001 0.000 0.195 123 E C 1.490 178.002 176.600 -0.147 0.000 0.990 123 E CA 1.049 57.336 56.400 -0.188 0.000 0.821 123 E CB -0.594 28.587 29.700 -0.865 0.000 0.750 123 E HN 0.759 nan 8.360 nan 0.000 0.477 124 Y N -0.116 120.185 120.300 0.001 0.000 2.256 124 Y HA -0.181 4.369 4.550 0.001 0.000 0.288 124 Y C 2.258 178.156 175.900 -0.003 0.000 1.155 124 Y CA 1.285 59.365 58.100 -0.032 0.000 1.203 124 Y CB -0.479 37.836 38.460 -0.242 0.000 0.980 124 Y HN 0.188 nan 8.280 nan 0.000 0.530 125 A N -1.532 121.396 122.820 0.179 0.000 2.121 125 A HA -0.156 4.165 4.320 0.001 0.000 0.218 125 A C 1.192 178.675 177.584 -0.169 0.000 1.154 125 A CA 1.166 53.203 52.037 -0.000 0.000 0.679 125 A CB -0.964 17.980 19.000 -0.092 0.000 0.795 125 A HN 0.672 nan 8.150 nan 0.000 0.458 126 W N -0.162 121.078 121.300 -0.101 0.000 3.220 126 W HA 0.277 4.937 4.660 0.001 0.000 0.328 126 W C 0.698 177.134 176.519 -0.139 0.000 1.205 126 W CA -0.369 56.898 57.345 -0.130 0.000 1.773 126 W CB 0.441 29.785 29.460 -0.194 0.000 1.086 126 W HN -0.018 nan 8.180 nan 0.000 0.622 127 R N 0.525 121.050 120.500 0.042 0.000 2.828 127 R HA 0.257 4.598 4.340 0.001 0.000 0.264 127 R C -1.085 175.252 176.300 0.061 0.000 1.022 127 R CA -0.882 55.224 56.100 0.009 0.000 1.021 127 R CB 0.783 31.035 30.300 -0.080 0.000 1.163 127 R HN -0.165 nan 8.270 nan 0.000 0.494 128 D N 0.983 121.428 120.400 0.075 0.000 2.316 128 D HA 0.055 4.695 4.640 0.001 0.000 0.245 128 D C 1.097 177.489 176.300 0.154 0.000 1.171 128 D CA -0.405 53.658 54.000 0.104 0.000 0.856 128 D CB 0.810 41.666 40.800 0.093 0.000 1.090 128 D HN 0.290 nan 8.370 nan 0.000 0.476 129 L N 4.935 126.279 121.223 0.201 0.000 2.043 129 L HA -0.162 4.178 4.340 0.001 0.000 0.212 129 L C 2.013 179.100 176.870 0.361 0.000 1.075 129 L CA 1.934 56.956 54.840 0.303 0.000 0.752 129 L CB -0.518 41.748 42.059 0.345 0.000 0.891 129 L HN 0.552 nan 8.230 nan 0.000 0.432 130 K N -0.673 119.889 120.400 0.270 0.000 2.097 130 K HA -0.180 4.140 4.320 0.001 0.000 0.206 130 K C 1.909 178.662 176.600 0.254 0.000 1.049 130 K CA 1.658 58.103 56.287 0.263 0.000 0.933 130 K CB -0.066 32.536 32.500 0.170 0.000 0.717 130 K HN 0.507 nan 8.250 nan 0.000 0.442 131 E N -0.136 120.180 120.200 0.194 0.000 2.150 131 E HA -0.143 4.207 4.350 0.001 0.000 0.193 131 E C 1.912 178.612 176.600 0.166 0.000 0.985 131 E CA 1.056 57.553 56.400 0.162 0.000 0.814 131 E CB 0.133 29.907 29.700 0.122 0.000 0.752 131 E HN 0.094 nan 8.360 nan 0.000 0.466 132 V N 0.715 120.731 119.914 0.170 0.000 2.307 132 V HA -0.236 3.885 4.120 0.001 0.000 0.245 132 V C 1.919 178.024 176.094 0.018 0.000 1.045 132 V CA 1.675 64.034 62.300 0.098 0.000 1.024 132 V CB -0.505 31.360 31.823 0.069 0.000 0.651 132 V HN 0.177 nan 8.190 nan 0.000 0.449 133 F N 0.248 120.214 119.950 0.026 0.000 2.134 133 F HA -0.126 4.401 4.527 0.001 0.000 0.299 133 F C 2.636 178.386 175.800 -0.084 0.000 1.097 133 F CA 2.036 59.952 58.000 -0.141 0.000 1.264 133 F CB -0.395 38.580 39.000 -0.043 0.000 1.001 133 F HN -0.040 nan 8.300 nan 0.000 0.479 134 R N 0.446 121.120 120.500 0.290 0.000 2.073 134 R HA -0.178 4.163 4.340 0.001 0.000 0.234 134 R C 2.338 178.771 176.300 0.222 0.000 1.134 134 R CA 1.456 57.729 56.100 0.289 0.000 0.952 134 R CB -0.544 29.894 30.300 0.230 0.000 0.850 134 R HN 0.256 nan 8.270 nan 0.000 0.433 135 A N -0.093 122.826 122.820 0.166 0.000 1.902 135 A HA -0.218 4.103 4.320 0.001 0.000 0.217 135 A C 2.032 179.691 177.584 0.127 0.000 1.181 135 A CA 1.329 53.450 52.037 0.140 0.000 0.623 135 A CB -0.890 18.188 19.000 0.130 0.000 0.818 135 A HN 0.607 nan 8.150 nan 0.000 0.443 136 Y N -0.651 119.617 120.300 -0.054 0.000 2.145 136 Y HA -0.212 4.338 4.550 0.001 0.000 0.286 136 Y C 1.911 177.814 175.900 0.006 0.000 1.145 136 Y CA 1.990 60.020 58.100 -0.117 0.000 1.148 136 Y CB -0.349 37.892 38.460 -0.366 0.000 0.981 136 Y HN 0.295 nan 8.280 nan 0.000 0.507 137 F N 0.400 120.499 119.950 0.249 0.000 2.293 137 F HA -0.172 4.355 4.527 0.000 0.000 0.300 137 F C 2.326 178.164 175.800 0.063 0.000 1.086 137 F CA 1.232 59.330 58.000 0.162 0.000 1.375 137 F CB -0.990 38.143 39.000 0.221 0.000 1.045 137 F HN 0.180 nan 8.300 nan 0.000 0.516 138 Q N -0.267 119.676 119.800 0.237 0.000 2.172 138 Q HA -0.141 4.199 4.340 0.001 0.000 0.200 138 Q C 1.971 178.031 176.000 0.100 0.000 0.964 138 Q CA 1.008 56.902 55.803 0.151 0.000 0.855 138 Q CB -0.092 28.729 28.738 0.137 0.000 0.918 138 Q HN 0.295 nan 8.270 nan 0.000 0.444 139 E N 0.118 120.354 120.200 0.061 0.000 2.107 139 E HA -0.094 4.256 4.350 0.001 0.000 0.191 139 E C 2.146 178.747 176.600 0.002 0.000 0.982 139 E CA 0.677 57.126 56.400 0.081 0.000 0.809 139 E CB -0.034 29.674 29.700 0.013 0.000 0.756 139 E HN 0.148 nan 8.360 nan 0.000 0.459 140 V N 1.503 121.368 119.914 -0.082 0.000 2.427 140 V HA -0.222 3.898 4.120 0.001 0.000 0.248 140 V C 2.442 178.487 176.094 -0.082 0.000 1.051 140 V CA 1.840 64.086 62.300 -0.090 0.000 1.048 140 V CB -0.397 31.453 31.823 0.046 0.000 0.666 140 V HN 0.285 nan 8.190 nan 0.000 0.456 141 E N 0.317 120.510 120.200 -0.011 0.000 2.085 141 E HA -0.269 4.082 4.350 0.001 0.000 0.194 141 E C 2.249 178.790 176.600 -0.098 0.000 0.994 141 E CA 1.469 57.855 56.400 -0.025 0.000 0.801 141 E CB -0.010 29.705 29.700 0.025 0.000 0.743 141 E HN 0.601 nan 8.360 nan 0.000 0.453 142 K N 0.077 120.406 120.400 -0.118 0.000 2.026 142 K HA -0.109 4.211 4.320 0.001 0.000 0.208 142 K C 2.201 178.408 176.600 -0.656 0.000 1.048 142 K CA 1.114 57.283 56.287 -0.196 0.000 0.929 142 K CB -0.178 32.376 32.500 0.090 0.000 0.713 142 K HN 0.112 nan 8.250 nan 0.000 0.439 143 A N 1.561 123.737 122.820 -1.073 0.000 1.940 143 A HA -0.140 4.180 4.320 0.001 0.000 0.219 143 A C 2.349 179.742 177.584 -0.319 0.000 1.176 143 A CA 1.892 53.252 52.037 -1.127 0.000 0.631 143 A CB -0.683 17.925 19.000 -0.653 0.000 0.814 143 A HN 0.351 nan 8.150 nan 0.000 0.446 144 A N -0.783 121.911 122.820 -0.210 0.000 2.015 144 A HA -0.070 4.250 4.320 0.001 0.000 0.219 144 A C 2.056 179.586 177.584 -0.090 0.000 1.163 144 A CA 1.084 53.073 52.037 -0.079 0.000 0.646 144 A CB -0.247 18.720 19.000 -0.055 0.000 0.806 144 A HN 0.413 nan 8.150 nan 0.000 0.448 145 R N 0.120 120.540 120.500 -0.133 0.000 2.312 145 R HA 0.036 4.376 4.340 0.001 0.000 0.205 145 R C 2.001 178.234 176.300 -0.112 0.000 0.904 145 R CA 0.994 57.037 56.100 -0.095 0.000 1.052 145 R CB -0.530 29.730 30.300 -0.067 0.000 1.014 145 R HN 0.684 nan 8.270 nan 0.000 0.503 146 S N 0.072 115.662 115.700 -0.183 0.000 2.447 146 S HA -0.035 4.436 4.470 0.001 0.000 0.233 146 S C 1.568 176.047 174.600 -0.202 0.000 1.006 146 S CA 0.952 59.050 58.200 -0.172 0.000 0.957 146 S CB -0.138 62.930 63.200 -0.221 0.000 0.773 146 S HN 0.459 nan 8.310 nan 0.000 0.507 147 G N 0.763 109.431 108.800 -0.221 0.000 2.153 147 G HA2 -0.230 3.731 3.960 0.001 0.000 0.252 147 G HA3 -0.230 3.731 3.960 0.001 0.000 0.252 147 G C 0.456 175.167 174.900 -0.313 0.000 0.994 147 G CA 0.590 45.573 45.100 -0.195 0.000 0.698 147 G HN 0.567 nan 8.290 nan 0.000 0.521 148 L N -1.674 119.181 121.223 -0.614 0.000 2.463 148 L HA 0.441 4.782 4.340 0.001 0.000 0.219 148 L C 0.727 177.084 176.870 -0.855 0.000 1.088 148 L CA 0.166 54.494 54.840 -0.853 0.000 0.849 148 L CB 0.043 41.327 42.059 -1.292 0.000 1.012 148 L HN 0.185 nan 8.230 nan 0.000 0.468 149 F N -2.852 116.971 119.950 -0.211 0.000 2.598 149 F HA 0.351 4.878 4.527 0.001 0.000 0.327 149 F C 1.101 176.733 175.800 -0.279 0.000 1.057 149 F CA -0.999 56.820 58.000 -0.303 0.000 0.957 149 F CB 0.803 39.666 39.000 -0.227 0.000 1.278 149 F HN -0.193 nan 8.300 nan 0.000 0.484 150 H N -0.104 118.968 119.070 0.005 0.000 2.486 150 H HA 0.632 5.188 4.556 0.001 0.000 0.287 150 H C 0.103 175.446 175.328 0.025 0.000 1.010 150 H CA 0.583 56.563 56.048 -0.112 0.000 1.324 150 H CB 0.582 29.959 29.762 -0.642 0.000 1.446 150 H HN 0.590 nan 8.280 nan 0.000 0.537 151 A N 0.548 123.415 122.820 0.079 0.000 2.587 151 A HA 0.487 4.808 4.320 0.001 0.000 0.293 151 A C -1.497 176.060 177.584 -0.044 0.000 1.087 151 A CA -0.691 51.417 52.037 0.120 0.000 0.692 151 A CB 1.412 20.550 19.000 0.231 0.000 1.291 151 A HN 0.018 nan 8.150 nan 0.000 0.407 152 I N 1.980 122.543 120.570 -0.013 0.000 2.331 152 I HA 0.382 4.552 4.170 0.001 0.000 0.292 152 I C 1.122 177.171 176.117 -0.113 0.000 0.998 152 I CA -0.002 61.233 61.300 -0.108 0.000 1.267 152 I CB 0.557 38.540 38.000 -0.028 0.000 1.386 152 I HN 0.800 nan 8.210 nan 0.000 0.476 153 G N 4.712 113.346 108.800 -0.277 0.000 2.467 153 G HA2 0.220 4.180 3.960 0.001 0.000 0.257 153 G HA3 0.220 4.180 3.960 0.001 0.000 0.257 153 G C 0.024 174.677 174.900 -0.412 0.000 1.227 153 G CA -0.338 44.515 45.100 -0.412 0.000 0.835 153 G HN 0.930 nan 8.290 nan 0.000 0.556 154 H N -0.247 118.868 119.070 0.075 0.000 1.661 154 H HA -0.196 4.361 4.556 0.001 0.000 0.319 154 H C 1.126 176.485 175.328 0.051 0.000 0.783 154 H CA 0.399 56.404 56.048 -0.072 0.000 1.065 154 H CB -1.285 28.113 29.762 -0.608 0.000 1.497 154 H HN 0.384 nan 8.280 nan 0.000 0.257 155 L N 1.232 122.648 121.223 0.322 0.000 2.064 155 L HA -0.212 4.129 4.340 0.001 0.000 0.216 155 L C 1.447 178.695 176.870 0.631 0.000 1.077 155 L CA 2.561 57.667 54.840 0.443 0.000 0.766 155 L CB -0.317 41.953 42.059 0.352 0.000 0.890 155 L HN 0.881 nan 8.230 nan 0.000 0.435 156 D N -1.481 119.231 120.400 0.520 0.000 2.895 156 D HA 0.003 4.643 4.640 0.001 0.000 0.258 156 D C 1.737 178.148 176.300 0.185 0.000 1.311 156 D CA -0.296 54.001 54.000 0.495 0.000 0.843 156 D CB -0.595 40.586 40.800 0.636 0.000 1.055 156 D HN 0.242 nan 8.370 nan 0.000 0.486 157 L N 0.818 121.919 121.223 -0.204 0.000 2.103 157 L HA -0.117 4.223 4.340 0.001 0.000 0.215 157 L C -0.869 175.725 176.870 -0.460 0.000 1.080 157 L CA 2.111 56.649 54.840 -0.502 0.000 0.764 157 L CB -1.202 40.423 42.059 -0.723 0.000 0.890 157 L HN 0.061 nan 8.230 nan 0.000 0.435 158 P HA -0.210 nan 4.420 nan 0.000 0.222 158 P C 0.954 178.090 177.300 -0.272 0.000 1.142 158 P CA 1.643 64.324 63.100 -0.698 0.000 0.788 158 P CB -0.229 30.534 31.700 -1.562 0.000 0.767 159 K N 0.111 120.531 120.400 0.033 0.000 2.459 159 K HA -0.017 4.303 4.320 0.001 0.000 0.193 159 K C 1.881 178.499 176.600 0.030 0.000 1.030 159 K CA 0.416 56.835 56.287 0.220 0.000 1.026 159 K CB -0.312 32.385 32.500 0.329 0.000 0.809 159 K HN -0.076 nan 8.250 nan 0.000 0.504 160 K N 0.967 121.317 120.400 -0.083 0.000 2.117 160 K HA -0.202 4.119 4.320 0.001 0.000 0.215 160 K C 0.529 176.859 176.600 -0.451 0.000 1.053 160 K CA 1.931 58.032 56.287 -0.311 0.000 0.935 160 K CB -0.241 31.874 32.500 -0.642 0.000 0.719 160 K HN 0.270 nan 8.250 nan 0.000 0.460 161 F N -0.391 119.533 119.950 -0.045 0.000 2.664 161 F HA 0.258 4.786 4.527 0.001 0.000 0.301 161 F C 1.401 177.104 175.800 -0.161 0.000 1.126 161 F CA 0.481 58.439 58.000 -0.070 0.000 1.373 161 F CB 0.757 39.726 39.000 -0.051 0.000 1.042 161 F HN 0.376 nan 8.300 nan 0.000 0.535 162 G N -0.558 108.223 108.800 -0.032 0.000 2.176 162 G HA2 -0.280 3.680 3.960 0.001 0.000 0.232 162 G HA3 -0.280 3.680 3.960 0.001 0.000 0.232 162 G C -0.132 174.680 174.900 -0.147 0.000 0.986 162 G CA -0.500 44.533 45.100 -0.111 0.000 0.643 162 G HN 0.477 nan 8.290 nan 0.000 0.522 163 H N 1.464 120.540 119.070 0.009 0.000 3.004 163 H HA 0.612 5.168 4.556 0.001 0.000 0.267 163 H C 0.954 176.413 175.328 0.219 0.000 1.165 163 H CA 0.163 56.263 56.048 0.087 0.000 1.450 163 H CB 0.368 30.160 29.762 0.050 0.000 1.488 163 H HN 0.346 nan 8.280 nan 0.000 0.478 164 R N 2.596 123.221 120.500 0.209 0.000 2.787 164 R HA 0.550 4.891 4.340 0.001 0.000 0.271 164 R C -0.505 175.809 176.300 0.024 0.000 0.993 164 R CA -0.971 55.202 56.100 0.121 0.000 0.993 164 R CB 2.017 32.348 30.300 0.051 0.000 1.155 164 R HN 0.374 nan 8.270 nan 0.000 0.486 165 L N 1.406 122.532 121.223 -0.162 0.000 2.331 165 L HA 0.532 4.872 4.340 0.001 0.000 0.268 165 L C -2.038 174.778 176.870 -0.089 0.000 1.015 165 L CA -2.238 52.508 54.840 -0.156 0.000 0.807 165 L CB 1.414 43.270 42.059 -0.339 0.000 1.293 165 L HN 0.279 nan 8.230 nan 0.000 0.451 166 P HA 0.044 nan 4.420 nan 0.000 0.271 166 P C 0.290 177.573 177.300 -0.028 0.000 1.216 166 P CA -0.202 62.884 63.100 -0.022 0.000 0.776 166 P CB 0.726 32.423 31.700 -0.005 0.000 0.881 167 E N 1.704 121.896 120.200 -0.014 0.000 2.086 167 E HA -0.324 4.026 4.350 0.001 0.000 0.200 167 E C 0.990 177.587 176.600 -0.006 0.000 1.012 167 E CA 1.801 58.196 56.400 -0.008 0.000 0.812 167 E CB 0.089 29.790 29.700 0.002 0.000 0.743 167 E HN 0.458 nan 8.360 nan 0.000 0.453 168 E N 0.597 120.796 120.200 -0.001 0.000 2.085 168 E HA -0.179 4.172 4.350 0.001 0.000 0.194 168 E C 1.912 178.516 176.600 0.006 0.000 0.994 168 E CA 1.382 57.784 56.400 0.003 0.000 0.801 168 E CB -0.412 29.292 29.700 0.007 0.000 0.743 168 E HN 0.424 nan 8.360 nan 0.000 0.453 169 A N 0.882 123.704 122.820 0.004 0.000 1.873 169 A HA -0.109 4.211 4.320 0.001 0.000 0.215 169 A C 2.171 179.767 177.584 0.020 0.000 1.186 169 A CA 1.203 53.250 52.037 0.015 0.000 0.616 169 A CB -0.728 18.276 19.000 0.007 0.000 0.823 169 A HN 0.248 nan 8.150 nan 0.000 0.442 170 L N -0.081 121.132 121.223 -0.017 0.000 2.013 170 L HA -0.171 4.170 4.340 0.001 0.000 0.212 170 L C 2.348 179.221 176.870 0.005 0.000 1.073 170 L CA 1.857 56.699 54.840 0.005 0.000 0.753 170 L CB -0.599 41.442 42.059 -0.029 0.000 0.890 170 L HN 0.419 nan 8.230 nan 0.000 0.432 171 L N -0.763 120.452 121.223 -0.014 0.000 2.046 171 L HA -0.231 4.109 4.340 0.001 0.000 0.208 171 L C 2.598 179.445 176.870 -0.038 0.000 1.077 171 L CA 1.749 56.568 54.840 -0.035 0.000 0.747 171 L CB -0.602 41.447 42.059 -0.016 0.000 0.896 171 L HN 0.446 nan 8.230 nan 0.000 0.432 172 E N 0.572 120.770 120.200 -0.002 0.000 2.051 172 E HA -0.228 4.122 4.350 0.001 0.000 0.192 172 E C 2.311 178.927 176.600 0.028 0.000 0.991 172 E CA 1.186 57.595 56.400 0.014 0.000 0.799 172 E CB -0.043 29.677 29.700 0.034 0.000 0.748 172 E HN 0.456 nan 8.360 nan 0.000 0.449 173 L N 0.012 121.281 121.223 0.077 0.000 2.217 173 L HA -0.047 4.293 4.340 0.001 0.000 0.211 173 L C 2.372 179.247 176.870 0.008 0.000 1.107 173 L CA 0.800 55.753 54.840 0.188 0.000 0.783 173 L CB -0.182 42.135 42.059 0.430 0.000 0.919 173 L HN 0.194 nan 8.230 nan 0.000 0.442 174 A N -0.800 121.800 122.820 -0.367 0.000 2.195 174 A HA -0.073 4.248 4.320 0.001 0.000 0.210 174 A C 2.020 179.406 177.584 -0.330 0.000 1.165 174 A CA 0.480 52.031 52.037 -0.810 0.000 0.806 174 A CB -0.065 18.335 19.000 -0.998 0.000 0.847 174 A HN 0.280 nan 8.150 nan 0.000 0.482 175 E N 1.301 121.405 120.200 -0.160 0.000 2.049 175 E HA -0.149 4.202 4.350 0.001 0.000 0.198 175 E C -0.771 175.794 176.600 -0.059 0.000 1.007 175 E CA 2.368 58.718 56.400 -0.084 0.000 0.809 175 E CB -1.093 28.583 29.700 -0.041 0.000 0.749 175 E HN 0.412 nan 8.360 nan 0.000 0.450 176 P HA -0.142 nan 4.420 nan 0.000 0.215 176 P C 1.000 178.291 177.300 -0.014 0.000 1.153 176 P CA 2.300 65.396 63.100 -0.006 0.000 0.853 176 P CB -0.207 31.509 31.700 0.027 0.000 0.788 177 A N -0.729 122.075 122.820 -0.027 0.000 1.902 177 A HA -0.160 4.161 4.320 0.001 0.000 0.217 177 A C 2.211 179.773 177.584 -0.035 0.000 1.181 177 A CA 1.423 53.449 52.037 -0.018 0.000 0.623 177 A CB -1.641 17.360 19.000 0.002 0.000 0.818 177 A HN 0.108 nan 8.150 nan 0.000 0.443 178 L N -1.143 120.042 121.223 -0.065 0.000 2.093 178 L HA -0.155 4.186 4.340 0.001 0.000 0.208 178 L C 2.851 179.702 176.870 -0.032 0.000 1.085 178 L CA 0.906 55.719 54.840 -0.044 0.000 0.755 178 L CB -0.432 41.596 42.059 -0.053 0.000 0.904 178 L HN 0.270 nan 8.230 nan 0.000 0.435 179 R N 0.069 120.550 120.500 -0.031 0.000 2.096 179 R HA -0.081 4.259 4.340 0.001 0.000 0.235 179 R C 2.288 178.574 176.300 -0.023 0.000 1.127 179 R CA 1.436 57.521 56.100 -0.025 0.000 0.968 179 R CB -0.759 29.529 30.300 -0.019 0.000 0.861 179 R HN 0.353 nan 8.270 nan 0.000 0.440 180 A N 0.498 123.305 122.820 -0.022 0.000 1.898 180 A HA -0.092 4.228 4.320 0.001 0.000 0.216 180 A C 2.465 180.034 177.584 -0.025 0.000 1.181 180 A CA 1.399 53.422 52.037 -0.023 0.000 0.620 180 A CB -0.545 18.440 19.000 -0.025 0.000 0.819 180 A HN 0.094 nan 8.150 nan 0.000 0.442 181 V N -0.076 119.825 119.914 -0.023 0.000 2.295 181 V HA -0.266 3.855 4.120 0.001 0.000 0.246 181 V C 3.060 179.130 176.094 -0.039 0.000 1.049 181 V CA 2.023 64.311 62.300 -0.020 0.000 1.024 181 V CB -1.233 30.585 31.823 -0.009 0.000 0.648 181 V HN 0.618 nan 8.190 nan 0.000 0.447 182 A N -0.446 122.347 122.820 -0.045 0.000 1.902 182 A HA -0.233 4.087 4.320 0.001 0.000 0.217 182 A C 2.173 179.726 177.584 -0.052 0.000 1.181 182 A CA 1.833 53.833 52.037 -0.061 0.000 0.623 182 A CB -0.473 18.498 19.000 -0.048 0.000 0.818 182 A HN 0.625 nan 8.150 nan 0.000 0.443 183 E N -0.400 119.779 120.200 -0.035 0.000 2.150 183 E HA -0.070 4.280 4.350 0.001 0.000 0.193 183 E C 1.959 178.546 176.600 -0.022 0.000 0.985 183 E CA 0.895 57.279 56.400 -0.027 0.000 0.814 183 E CB -0.210 29.478 29.700 -0.021 0.000 0.752 183 E HN 0.604 nan 8.360 nan 0.000 0.466 184 A N 0.273 123.081 122.820 -0.020 0.000 2.251 184 A HA 0.260 4.580 4.320 0.001 0.000 0.209 184 A C 1.649 179.237 177.584 0.008 0.000 1.187 184 A CA 0.704 52.737 52.037 -0.007 0.000 0.823 184 A CB -0.207 18.787 19.000 -0.009 0.000 0.846 184 A HN 0.305 nan 8.150 nan 0.000 0.486 185 G N -1.258 107.529 108.800 -0.022 0.000 2.176 185 G HA2 -0.197 3.763 3.960 0.001 0.000 0.252 185 G HA3 -0.197 3.763 3.960 0.001 0.000 0.252 185 G C -0.060 174.829 174.900 -0.017 0.000 1.024 185 G CA 0.443 45.518 45.100 -0.042 0.000 0.755 185 G HN 0.352 nan 8.290 nan 0.000 0.507 186 L N -0.868 120.355 121.223 0.001 0.000 2.456 186 L HA 0.813 5.153 4.340 0.001 0.000 0.257 186 L C 0.802 177.661 176.870 -0.018 0.000 1.162 186 L CA -0.426 54.486 54.840 0.120 0.000 0.808 186 L CB 0.474 42.602 42.059 0.116 0.000 1.136 186 L HN 0.103 nan 8.230 nan 0.000 0.466 187 F N 0.210 120.235 119.950 0.125 0.000 2.518 187 F HA 0.584 5.112 4.527 0.001 0.000 0.338 187 F C -0.194 175.673 175.800 0.111 0.000 1.065 187 F CA -0.735 57.340 58.000 0.125 0.000 1.012 187 F CB 1.028 40.163 39.000 0.224 0.000 1.297 187 F HN 0.044 nan 8.300 nan 0.000 0.489 188 L N 0.896 122.296 121.223 0.295 0.000 2.322 188 L HA 0.305 4.645 4.340 0.001 0.000 0.281 188 L C -1.026 175.978 176.870 0.223 0.000 1.014 188 L CA -0.872 54.087 54.840 0.200 0.000 0.815 188 L CB 1.634 43.773 42.059 0.134 0.000 1.247 188 L HN 0.502 nan 8.230 nan 0.000 0.421 189 D N 2.640 123.157 120.400 0.196 0.000 2.344 189 D HA 0.169 4.809 4.640 0.001 0.000 0.253 189 D C -0.630 175.798 176.300 0.214 0.000 1.255 189 D CA -0.143 53.994 54.000 0.227 0.000 0.894 189 D CB 0.990 41.896 40.800 0.177 0.000 1.067 189 D HN 0.069 nan 8.370 nan 0.000 0.492 190 V N 5.809 125.832 119.914 0.181 0.000 2.322 190 V HA 0.172 4.293 4.120 0.001 0.000 0.258 190 V C 0.400 176.598 176.094 0.173 0.000 1.074 190 V CA -0.779 61.601 62.300 0.133 0.000 0.909 190 V CB 0.356 32.186 31.823 0.013 0.000 1.090 190 V HN 0.561 nan 8.190 nan 0.000 0.486 191 N N 3.359 122.222 118.700 0.273 0.000 2.426 191 N HA 0.121 4.862 4.740 0.001 0.000 0.257 191 N C 1.178 176.875 175.510 0.312 0.000 1.002 191 N CA -0.012 53.239 53.050 0.334 0.000 0.942 191 N CB 2.009 40.767 38.487 0.452 0.000 1.112 191 N HN 0.694 nan 8.380 nan 0.000 0.499 192 T N 0.259 114.987 114.554 0.290 0.000 3.148 192 T HA 0.101 4.452 4.350 0.001 0.000 0.253 192 T C 1.536 176.386 174.700 0.250 0.000 1.134 192 T CA 0.420 62.697 62.100 0.295 0.000 1.051 192 T CB 0.051 69.191 68.868 0.452 0.000 0.959 192 T HN 0.375 nan 8.240 nan 0.000 0.525 193 A N 1.504 124.456 122.820 0.221 0.000 2.015 193 A HA 0.293 4.613 4.320 0.001 0.000 0.219 193 A C 2.574 180.168 177.584 0.017 0.000 1.163 193 A CA 1.167 53.273 52.037 0.114 0.000 0.646 193 A CB -1.419 17.695 19.000 0.190 0.000 0.806 193 A HN 0.602 nan 8.150 nan 0.000 0.448 194 G N -0.136 108.588 108.800 -0.128 0.000 2.462 194 G HA2 -0.158 3.803 3.960 0.001 0.000 0.220 194 G HA3 -0.158 3.803 3.960 0.001 0.000 0.220 194 G C 1.398 176.143 174.900 -0.259 0.000 1.121 194 G CA 1.008 45.745 45.100 -0.605 0.000 0.758 194 G HN 0.476 nan 8.290 nan 0.000 0.559 195 L N -0.553 120.629 121.223 -0.069 0.000 2.395 195 L HA 0.127 4.467 4.340 0.001 0.000 0.218 195 L C 2.745 179.627 176.870 0.020 0.000 1.130 195 L CA 0.379 55.247 54.840 0.047 0.000 0.826 195 L CB -0.026 42.186 42.059 0.255 0.000 0.941 195 L HN 0.140 nan 8.230 nan 0.000 0.451 196 R N -0.629 119.808 120.500 -0.106 0.000 2.317 196 R HA 0.137 4.478 4.340 0.001 0.000 0.208 196 R C 0.245 176.468 176.300 -0.128 0.000 0.914 196 R CA -0.078 55.905 56.100 -0.195 0.000 1.060 196 R CB 0.297 30.356 30.300 -0.402 0.000 1.015 196 R HN 0.166 nan 8.270 nan 0.000 0.498 197 R N 0.088 120.517 120.500 -0.118 0.000 2.797 197 R HA 0.269 4.609 4.340 0.001 0.000 0.251 197 R C -1.937 174.312 176.300 -0.086 0.000 1.107 197 R CA -2.649 53.384 56.100 -0.112 0.000 1.084 197 R CB -0.286 29.913 30.300 -0.167 0.000 1.205 197 R HN -0.279 nan 8.270 nan 0.000 0.515 198 P HA -0.124 nan 4.420 nan 0.000 0.220 198 P C 0.860 178.124 177.300 -0.060 0.000 1.144 198 P CA 1.613 64.693 63.100 -0.034 0.000 0.800 198 P CB 0.119 31.827 31.700 0.014 0.000 0.772 199 A N 0.374 123.134 122.820 -0.100 0.000 1.940 199 A HA -0.212 4.108 4.320 0.001 0.000 0.219 199 A C 1.124 178.652 177.584 -0.093 0.000 1.176 199 A CA 1.414 53.386 52.037 -0.107 0.000 0.631 199 A CB -1.084 17.803 19.000 -0.189 0.000 0.814 199 A HN 0.162 nan 8.150 nan 0.000 0.446 200 K N -0.501 119.844 120.400 -0.092 0.000 3.071 200 K HA -0.202 4.119 4.320 0.001 0.000 0.262 200 K C -0.226 176.341 176.600 -0.055 0.000 0.977 200 K CA 1.189 57.446 56.287 -0.051 0.000 0.721 200 K CB -1.308 31.178 32.500 -0.023 0.000 1.293 200 K HN 0.841 nan 8.250 nan 0.000 0.475 201 E N 0.055 120.187 120.200 -0.113 0.000 2.381 201 E HA 0.229 4.579 4.350 0.001 0.000 0.286 201 E C -0.334 176.147 176.600 -0.198 0.000 0.960 201 E CA -0.689 55.650 56.400 -0.103 0.000 0.793 201 E CB 1.814 31.469 29.700 -0.075 0.000 1.225 201 E HN 0.123 nan 8.360 nan 0.000 0.420 202 V N 1.290 121.143 119.914 -0.100 0.000 3.139 202 V HA 0.252 4.373 4.120 0.001 0.000 0.307 202 V C -0.712 175.333 176.094 -0.082 0.000 1.095 202 V CA 0.092 62.341 62.300 -0.085 0.000 1.160 202 V CB -0.002 31.837 31.823 0.027 0.000 1.003 202 V HN 0.517 nan 8.190 nan 0.000 0.489 203 Y N 4.338 124.708 120.300 0.118 0.000 2.328 203 Y HA 0.622 5.172 4.550 0.001 0.000 0.337 203 Y C -1.962 174.023 175.900 0.142 0.000 1.008 203 Y CA -2.510 55.681 58.100 0.150 0.000 1.129 203 Y CB 1.416 39.998 38.460 0.203 0.000 1.185 203 Y HN 0.573 nan 8.280 nan 0.000 0.476 204 P HA 0.354 nan 4.420 nan 0.000 0.283 204 P C -0.716 176.695 177.300 0.184 0.000 1.278 204 P CA -0.594 62.678 63.100 0.285 0.000 0.834 204 P CB 1.332 33.180 31.700 0.247 0.000 1.150 205 A N 1.816 124.739 122.820 0.172 0.000 2.507 205 A HA 0.147 4.467 4.320 0.001 0.000 0.235 205 A C -1.304 176.338 177.584 0.097 0.000 1.070 205 A CA -0.544 51.558 52.037 0.109 0.000 0.768 205 A CB -1.518 17.544 19.000 0.103 0.000 1.011 205 A HN 0.401 nan 8.150 nan 0.000 0.502 206 P HA -0.242 nan 4.420 nan 0.000 0.216 206 P C 1.703 179.055 177.300 0.086 0.000 1.154 206 P CA 2.616 65.766 63.100 0.083 0.000 0.865 206 P CB 0.068 31.806 31.700 0.063 0.000 0.789 207 A N -0.880 121.979 122.820 0.066 0.000 1.908 207 A HA -0.193 4.127 4.320 0.001 0.000 0.218 207 A C 2.206 179.826 177.584 0.060 0.000 1.181 207 A CA 1.589 53.657 52.037 0.053 0.000 0.627 207 A CB -1.648 17.373 19.000 0.036 0.000 0.818 207 A HN 0.135 nan 8.150 nan 0.000 0.445 208 L N -0.917 120.350 121.223 0.073 0.000 2.109 208 L HA -0.119 4.221 4.340 0.001 0.000 0.207 208 L C 2.503 179.437 176.870 0.107 0.000 1.086 208 L CA 0.762 55.644 54.840 0.071 0.000 0.760 208 L CB -0.498 41.613 42.059 0.086 0.000 0.910 208 L HN 0.361 nan 8.230 nan 0.000 0.437 209 L N -0.367 120.941 121.223 0.141 0.000 2.083 209 L HA -0.217 4.124 4.340 0.001 0.000 0.209 209 L C 2.839 179.885 176.870 0.294 0.000 1.083 209 L CA 1.171 56.146 54.840 0.225 0.000 0.752 209 L CB -0.497 41.689 42.059 0.211 0.000 0.899 209 L HN 0.269 nan 8.230 nan 0.000 0.433 210 R N 0.406 121.010 120.500 0.173 0.000 2.080 210 R HA -0.241 4.099 4.340 0.001 0.000 0.236 210 R C 2.490 178.819 176.300 0.048 0.000 1.137 210 R CA 1.764 57.917 56.100 0.087 0.000 0.943 210 R CB -0.180 30.148 30.300 0.048 0.000 0.846 210 R HN 0.055 nan 8.270 nan 0.000 0.431 211 R N 0.697 121.228 120.500 0.050 0.000 2.096 211 R HA -0.024 4.317 4.340 0.001 0.000 0.235 211 R C 1.985 178.308 176.300 0.039 0.000 1.127 211 R CA 1.887 58.002 56.100 0.024 0.000 0.968 211 R CB -0.845 29.461 30.300 0.011 0.000 0.861 211 R HN 0.402 nan 8.270 nan 0.000 0.440 212 A N 0.533 123.410 122.820 0.095 0.000 1.908 212 A HA -0.190 4.130 4.320 0.001 0.000 0.218 212 A C 2.267 179.933 177.584 0.137 0.000 1.181 212 A CA 1.704 53.816 52.037 0.125 0.000 0.627 212 A CB -0.625 18.488 19.000 0.190 0.000 0.818 212 A HN 0.435 nan 8.150 nan 0.000 0.445 213 R N 0.054 120.634 120.500 0.134 0.000 2.081 213 R HA -0.164 4.176 4.340 0.001 0.000 0.235 213 R C 1.915 178.156 176.300 -0.100 0.000 1.131 213 R CA 1.807 57.836 56.100 -0.118 0.000 0.960 213 R CB -0.309 29.657 30.300 -0.557 0.000 0.856 213 R HN 0.684 nan 8.270 nan 0.000 0.436 214 E N 0.214 120.375 120.200 -0.065 0.000 2.204 214 E HA -0.164 4.186 4.350 0.001 0.000 0.195 214 E C 1.622 178.201 176.600 -0.036 0.000 0.990 214 E CA 0.906 57.273 56.400 -0.054 0.000 0.821 214 E CB 0.027 29.703 29.700 -0.039 0.000 0.750 214 E HN 0.421 nan 8.360 nan 0.000 0.477 215 L N -0.209 121.001 121.223 -0.021 0.000 2.592 215 L HA 0.181 4.521 4.340 0.001 0.000 0.227 215 L C 1.107 177.960 176.870 -0.029 0.000 1.127 215 L CA 0.142 54.968 54.840 -0.022 0.000 0.884 215 L CB 0.122 42.171 42.059 -0.017 0.000 1.065 215 L HN 0.221 nan 8.230 nan 0.000 0.457 216 G N 1.333 110.119 108.800 -0.024 0.000 2.176 216 G HA2 -0.283 3.678 3.960 0.001 0.000 0.252 216 G HA3 -0.283 3.678 3.960 0.001 0.000 0.252 216 G C 0.122 174.991 174.900 -0.052 0.000 1.024 216 G CA -0.129 44.954 45.100 -0.028 0.000 0.755 216 G HN 0.317 nan 8.290 nan 0.000 0.507 217 I N 1.214 121.775 120.570 -0.014 0.000 2.395 217 I HA 0.479 4.649 4.170 0.001 0.000 0.289 217 I C 1.358 177.466 176.117 -0.015 0.000 1.023 217 I CA -0.109 61.142 61.300 -0.081 0.000 1.350 217 I CB 1.256 39.243 38.000 -0.021 0.000 1.409 217 I HN 0.163 nan 8.210 nan 0.000 0.507 218 G N 6.677 115.305 108.800 -0.287 0.000 2.507 218 G HA2 0.590 4.550 3.960 0.001 0.000 0.271 218 G HA3 0.590 4.550 3.960 0.001 0.000 0.271 218 G C -0.576 174.501 174.900 0.296 0.000 1.189 218 G CA -0.581 44.519 45.100 -0.000 0.000 0.859 218 G HN 0.464 nan 8.290 nan 0.000 0.542 219 L N 0.394 121.845 121.223 0.380 0.000 2.334 219 L HA 0.579 4.919 4.340 0.001 0.000 0.276 219 L C -0.644 176.400 176.870 0.290 0.000 1.014 219 L CA -1.113 53.852 54.840 0.208 0.000 0.815 219 L CB 2.322 44.285 42.059 -0.160 0.000 1.268 219 L HN 0.155 nan 8.230 nan 0.000 0.428 220 V N 3.603 123.663 119.914 0.243 0.000 2.419 220 V HA 0.286 4.406 4.120 0.001 0.000 0.287 220 V C -0.126 176.073 176.094 0.175 0.000 1.017 220 V CA -0.538 61.897 62.300 0.224 0.000 0.844 220 V CB 1.640 33.605 31.823 0.236 0.000 1.011 220 V HN 0.417 nan 8.190 nan 0.000 0.429 221 L N 4.141 125.427 121.223 0.105 0.000 2.456 221 L HA 0.712 5.052 4.340 0.001 0.000 0.272 221 L C 0.908 177.881 176.870 0.170 0.000 1.189 221 L CA 1.064 55.888 54.840 -0.026 0.000 0.846 221 L CB 0.681 42.512 42.059 -0.380 0.000 1.111 221 L HN 0.796 nan 8.230 nan 0.000 0.475 222 G N -0.132 108.813 108.800 0.242 0.000 2.718 222 G HA2 0.466 4.426 3.960 0.001 0.000 0.295 222 G HA3 0.466 4.426 3.960 0.001 0.000 0.295 222 G C -0.053 175.150 174.900 0.505 0.000 1.421 222 G CA 0.188 45.572 45.100 0.473 0.000 0.902 222 G HN 0.574 nan 8.290 nan 0.000 0.501 223 S N -0.316 115.672 115.700 0.480 0.000 2.497 223 S HA 0.147 4.617 4.470 0.001 0.000 0.218 223 S C 0.804 175.527 174.600 0.205 0.000 1.023 223 S CA 1.104 59.537 58.200 0.389 0.000 0.913 223 S CB 0.175 63.540 63.200 0.275 0.000 0.800 223 S HN 0.789 nan 8.310 nan 0.000 0.505 224 D N 1.478 121.921 120.400 0.072 0.000 2.800 224 D HA -0.139 4.502 4.640 0.001 0.000 0.232 224 D C 0.098 176.587 176.300 0.315 0.000 1.137 224 D CA 0.854 54.837 54.000 -0.029 0.000 0.718 224 D CB -1.572 39.172 40.800 -0.092 0.000 1.084 224 D HN 0.774 nan 8.370 nan 0.000 0.432 225 A N 0.209 123.191 122.820 0.271 0.000 2.524 225 A HA 0.265 4.585 4.320 0.001 0.000 0.250 225 A C 0.686 178.502 177.584 0.386 0.000 1.078 225 A CA 0.408 52.633 52.037 0.313 0.000 0.761 225 A CB 0.221 19.387 19.000 0.276 0.000 1.012 225 A HN 0.430 nan 8.150 nan 0.000 0.500 226 H N 1.004 120.231 119.070 0.261 0.000 2.784 226 H HA 0.305 4.861 4.556 0.001 0.000 0.273 226 H C 0.051 175.521 175.328 0.236 0.000 1.112 226 H CA 0.230 56.435 56.048 0.262 0.000 1.162 226 H CB 0.394 30.234 29.762 0.130 0.000 1.586 226 H HN 0.677 nan 8.280 nan 0.000 0.548 227 R N -0.525 120.105 120.500 0.216 0.000 2.668 227 R HA 0.202 4.542 4.340 0.001 0.000 0.272 227 R C -2.268 173.761 176.300 -0.451 0.000 1.019 227 R CA -1.795 54.274 56.100 -0.052 0.000 0.894 227 R CB 2.053 32.344 30.300 -0.014 0.000 1.228 227 R HN -0.087 nan 8.270 nan 0.000 0.460 228 P HA -0.255 nan 4.420 nan 0.000 0.215 228 P C 0.846 177.933 177.300 -0.356 0.000 1.157 228 P CA 1.266 63.824 63.100 -0.904 0.000 0.874 228 P CB 0.230 31.594 31.700 -0.562 0.000 0.790 229 E N 0.504 120.585 120.200 -0.199 0.000 2.401 229 E HA -0.215 4.135 4.350 0.001 0.000 0.199 229 E C 1.223 177.815 176.600 -0.013 0.000 1.023 229 E CA 1.218 57.571 56.400 -0.079 0.000 0.859 229 E CB -0.794 28.884 29.700 -0.036 0.000 0.780 229 E HN 0.396 nan 8.360 nan 0.000 0.523 230 E N 0.682 120.865 120.200 -0.028 0.000 2.442 230 E HA 0.068 4.419 4.350 0.001 0.000 0.195 230 E C 0.136 176.783 176.600 0.080 0.000 1.030 230 E CA -0.108 56.327 56.400 0.060 0.000 0.869 230 E CB 0.599 30.320 29.700 0.034 0.000 0.857 230 E HN 0.007 nan 8.360 nan 0.000 0.505 231 V N 1.323 121.233 119.914 -0.006 0.000 2.617 231 V HA -0.009 4.112 4.120 0.001 0.000 0.304 231 V C 1.424 177.384 176.094 -0.223 0.000 1.040 231 V CA 1.349 63.607 62.300 -0.069 0.000 1.149 231 V CB 0.348 32.130 31.823 -0.067 0.000 0.914 231 V HN 0.568 nan 8.190 nan 0.000 0.487 232 G N 4.387 112.853 108.800 -0.556 0.000 2.187 232 G HA2 -0.328 3.632 3.960 0.001 0.000 0.261 232 G HA3 -0.328 3.632 3.960 0.001 0.000 0.261 232 G C 0.081 174.639 174.900 -0.569 0.000 1.000 232 G CA 0.333 44.665 45.100 -1.280 0.000 0.718 232 G HN 0.918 nan 8.290 nan 0.000 0.519 233 F N 0.942 120.767 119.950 -0.209 0.000 2.593 233 F HA 0.303 4.831 4.527 0.001 0.000 0.393 233 F C 1.401 177.333 175.800 0.219 0.000 1.037 233 F CA 0.872 58.889 58.000 0.029 0.000 1.195 233 F CB 0.199 39.239 39.000 0.066 0.000 1.034 233 F HN 1.513 nan 8.300 nan 0.000 0.552 234 A N 4.618 127.096 122.820 -0.569 0.000 2.826 234 A HA -0.312 4.009 4.320 0.001 0.000 0.274 234 A C 1.239 178.893 177.584 0.118 0.000 1.443 234 A CA 1.218 53.067 52.037 -0.313 0.000 0.833 234 A CB -2.699 16.084 19.000 -0.362 0.000 1.023 234 A HN 0.761 nan 8.150 nan 0.000 0.600 235 F N -0.460 119.440 119.950 -0.083 0.000 2.171 235 F HA -0.013 4.514 4.527 0.001 0.000 0.300 235 F C 0.265 176.057 175.800 -0.014 0.000 1.090 235 F CA 1.795 59.790 58.000 -0.009 0.000 1.293 235 F CB -1.664 37.344 39.000 0.013 0.000 1.013 235 F HN 0.262 nan 8.300 nan 0.000 0.486 236 P HA -0.156 nan 4.420 nan 0.000 0.215 236 P C 1.354 178.673 177.300 0.032 0.000 1.157 236 P CA 1.729 64.868 63.100 0.066 0.000 0.868 236 P CB 0.020 31.736 31.700 0.027 0.000 0.788 237 E N -0.718 119.487 120.200 0.009 0.000 2.051 237 E HA -0.125 4.226 4.350 0.001 0.000 0.192 237 E C 1.991 178.595 176.600 0.006 0.000 0.991 237 E CA 1.078 57.477 56.400 -0.001 0.000 0.799 237 E CB -1.239 28.447 29.700 -0.023 0.000 0.748 237 E HN 0.016 nan 8.360 nan 0.000 0.449 238 V N 0.824 120.738 119.914 0.001 0.000 2.427 238 V HA -0.273 3.847 4.120 0.001 0.000 0.248 238 V C 2.443 178.517 176.094 -0.032 0.000 1.051 238 V CA 1.916 64.203 62.300 -0.023 0.000 1.048 238 V CB -0.513 31.272 31.823 -0.064 0.000 0.666 238 V HN 0.274 nan 8.190 nan 0.000 0.456 239 Q N 0.027 119.812 119.800 -0.025 0.000 2.084 239 Q HA -0.220 4.121 4.340 0.001 0.000 0.202 239 Q C 2.283 178.295 176.000 0.021 0.000 0.978 239 Q CA 2.014 57.814 55.803 -0.005 0.000 0.844 239 Q CB -0.284 28.472 28.738 0.030 0.000 0.898 239 Q HN 0.640 nan 8.270 nan 0.000 0.426 240 A N 0.751 123.585 122.820 0.023 0.000 1.858 240 A HA -0.203 4.117 4.320 0.001 0.000 0.216 240 A C 2.013 179.620 177.584 0.038 0.000 1.190 240 A CA 1.471 53.526 52.037 0.029 0.000 0.617 240 A CB -0.959 18.054 19.000 0.022 0.000 0.827 240 A HN 0.514 nan 8.150 nan 0.000 0.443 241 L N -0.023 121.220 121.223 0.033 0.000 1.990 241 L HA -0.197 4.144 4.340 0.001 0.000 0.213 241 L C 2.338 179.256 176.870 0.081 0.000 1.072 241 L CA 2.038 56.906 54.840 0.046 0.000 0.755 241 L CB -0.484 41.596 42.059 0.035 0.000 0.889 241 L HN 0.427 nan 8.230 nan 0.000 0.432 242 L N -0.573 120.693 121.223 0.073 0.000 2.042 242 L HA -0.209 4.131 4.340 0.001 0.000 0.210 242 L C 2.728 179.734 176.870 0.227 0.000 1.076 242 L CA 1.275 56.203 54.840 0.148 0.000 0.749 242 L CB -1.069 40.989 42.059 -0.002 0.000 0.893 242 L HN 0.446 nan 8.230 nan 0.000 0.432 243 A N 0.377 123.273 122.820 0.127 0.000 1.933 243 A HA -0.115 4.205 4.320 0.001 0.000 0.218 243 A C 2.406 180.041 177.584 0.084 0.000 1.175 243 A CA 1.656 53.756 52.037 0.104 0.000 0.628 243 A CB -1.184 17.854 19.000 0.063 0.000 0.814 243 A HN 0.451 nan 8.150 nan 0.000 0.444 244 G N -0.241 108.604 108.800 0.076 0.000 2.432 244 G HA2 -0.124 3.836 3.960 0.001 0.000 0.219 244 G HA3 -0.124 3.836 3.960 0.001 0.000 0.219 244 G C 1.380 176.312 174.900 0.055 0.000 1.135 244 G CA 0.959 46.092 45.100 0.054 0.000 0.767 244 G HN 0.460 nan 8.290 nan 0.000 0.550 245 L N 0.070 121.353 121.223 0.099 0.000 2.552 245 L HA 0.245 4.585 4.340 0.001 0.000 0.227 245 L C 2.103 178.949 176.870 -0.039 0.000 1.146 245 L CA 0.579 55.466 54.840 0.077 0.000 0.858 245 L CB 0.048 42.231 42.059 0.206 0.000 0.969 245 L HN 0.420 nan 8.230 nan 0.000 0.451 246 G N -0.918 107.868 108.800 -0.022 0.000 2.201 246 G HA2 -0.245 3.715 3.960 0.001 0.000 0.212 246 G HA3 -0.245 3.715 3.960 0.001 0.000 0.212 246 G C 0.120 174.928 174.900 -0.153 0.000 0.994 246 G CA -0.676 44.354 45.100 -0.116 0.000 0.644 246 G HN 0.106 nan 8.290 nan 0.000 0.508 247 F N 0.996 120.946 119.950 0.001 0.000 2.471 247 F HA 0.591 5.119 4.527 0.001 0.000 0.353 247 F C 1.739 177.527 175.800 -0.021 0.000 1.113 247 F CA -0.053 57.945 58.000 -0.004 0.000 1.262 247 F CB 0.842 39.843 39.000 0.002 0.000 1.146 247 F HN -0.129 nan 8.300 nan 0.000 0.578 248 R N 1.156 121.741 120.500 0.142 0.000 2.469 248 R HA 0.252 4.592 4.340 0.001 0.000 0.250 248 R C -0.420 175.873 176.300 -0.013 0.000 0.909 248 R CA 0.168 56.297 56.100 0.049 0.000 1.050 248 R CB 0.521 30.830 30.300 0.015 0.000 1.256 248 R HN 0.709 nan 8.270 nan 0.000 0.550 249 E N -0.569 119.611 120.200 -0.033 0.000 2.429 249 E HA 0.721 5.071 4.350 0.001 0.000 0.276 249 E C -1.399 174.994 176.600 -0.345 0.000 0.953 249 E CA -0.782 55.464 56.400 -0.258 0.000 0.787 249 E CB 2.483 31.982 29.700 -0.335 0.000 1.307 249 E HN 0.057 nan 8.360 nan 0.000 0.458 250 A N 0.893 123.244 122.820 -0.781 0.000 2.532 250 A HA 0.825 5.145 4.320 0.001 0.000 0.290 250 A C -1.869 175.169 177.584 -0.909 0.000 1.143 250 A CA -0.482 51.156 52.037 -0.665 0.000 0.728 250 A CB 0.959 19.560 19.000 -0.665 0.000 1.317 250 A HN 0.546 nan 8.150 nan 0.000 0.414 251 Y N -1.324 118.853 120.300 -0.205 0.000 2.605 251 Y HA 0.654 5.204 4.550 0.001 0.000 0.343 251 Y C -0.660 175.302 175.900 0.103 0.000 1.036 251 Y CA -0.527 57.500 58.100 -0.120 0.000 1.065 251 Y CB 2.200 40.472 38.460 -0.314 0.000 1.288 251 Y HN 0.806 nan 8.280 nan 0.000 0.481 252 Y N -1.488 118.850 120.300 0.064 0.000 2.544 252 Y HA 0.709 5.260 4.550 0.001 0.000 0.342 252 Y C -2.040 173.752 175.900 -0.179 0.000 1.062 252 Y CA -2.254 55.836 58.100 -0.016 0.000 1.023 252 Y CB 0.975 39.484 38.460 0.083 0.000 1.308 252 Y HN 0.430 nan 8.280 nan 0.000 0.457 253 F N 2.171 121.950 119.950 -0.284 0.000 2.404 253 F HA 0.669 5.196 4.527 0.001 0.000 0.339 253 F C -0.384 175.411 175.800 -0.009 0.000 1.105 253 F CA -0.988 56.853 58.000 -0.264 0.000 1.087 253 F CB 1.851 40.673 39.000 -0.296 0.000 1.143 253 F HN 0.346 nan 8.300 nan 0.000 0.491 254 V N 2.453 122.362 119.914 -0.008 0.000 2.483 254 V HA 0.213 4.333 4.120 0.001 0.000 0.297 254 V C -0.197 175.939 176.094 0.070 0.000 1.027 254 V CA -1.170 61.154 62.300 0.041 0.000 0.855 254 V CB 1.367 33.071 31.823 -0.199 0.000 0.995 254 V HN 0.864 nan 8.190 nan 0.000 0.424 255 E N 3.414 123.714 120.200 0.167 0.000 2.539 255 E HA -0.292 4.058 4.350 0.001 0.000 0.253 255 E C 1.242 177.928 176.600 0.144 0.000 1.145 255 E CA 0.757 57.236 56.400 0.132 0.000 0.738 255 E CB -1.128 28.608 29.700 0.060 0.000 1.308 255 E HN 1.542 nan 8.360 nan 0.000 0.409 256 G N -1.215 107.704 108.800 0.198 0.000 2.176 256 G HA2 -0.331 3.630 3.960 0.001 0.000 0.253 256 G HA3 -0.331 3.630 3.960 0.001 0.000 0.253 256 G C 0.175 175.172 174.900 0.161 0.000 0.979 256 G CA 0.325 45.534 45.100 0.182 0.000 0.641 256 G HN 0.362 nan 8.290 nan 0.000 0.530 257 S N 1.940 117.650 115.700 0.018 0.000 2.513 257 S HA 0.728 5.199 4.470 0.001 0.000 0.299 257 S C -2.541 171.613 174.600 -0.744 0.000 1.087 257 S CA -0.988 57.087 58.200 -0.208 0.000 1.012 257 S CB 3.102 66.221 63.200 -0.136 0.000 1.044 257 S HN 0.275 nan 8.310 nan 0.000 0.485 258 P HA 0.309 nan 4.420 nan 0.000 0.280 258 P C -1.217 175.679 177.300 -0.672 0.000 1.244 258 P CA -0.350 61.876 63.100 -1.456 0.000 0.784 258 P CB 0.799 31.593 31.700 -1.511 0.000 0.913 259 V N 3.098 122.592 119.914 -0.700 0.000 2.444 259 V HA 0.516 4.637 4.120 0.001 0.000 0.294 259 V C 0.564 176.408 176.094 -0.417 0.000 1.022 259 V CA -0.852 61.098 62.300 -0.582 0.000 0.850 259 V CB 1.304 32.539 31.823 -0.980 0.000 0.992 259 V HN 0.730 nan 8.190 nan 0.000 0.426 260 A N 5.288 127.948 122.820 -0.267 0.000 2.316 260 A HA 0.867 5.187 4.320 0.001 0.000 0.284 260 A C -0.815 176.650 177.584 -0.198 0.000 1.115 260 A CA -0.215 51.499 52.037 -0.539 0.000 0.812 260 A CB 0.526 19.210 19.000 -0.526 0.000 1.064 260 A HN 1.264 nan 8.150 nan 0.000 0.489 261 Y N -0.109 120.023 120.300 -0.280 0.000 2.544 261 Y HA 0.728 5.279 4.550 0.001 0.000 0.342 261 Y C -3.159 172.675 175.900 -0.109 0.000 1.062 261 Y CA -3.055 54.983 58.100 -0.102 0.000 1.023 261 Y CB 1.230 39.712 38.460 0.037 0.000 1.308 261 Y HN 0.467 nan 8.280 nan 0.000 0.457 262 P HA 0.232 nan 4.420 nan 0.000 0.280 262 P C -0.662 176.692 177.300 0.091 0.000 1.244 262 P CA -0.089 63.018 63.100 0.013 0.000 0.784 262 P CB 1.844 33.566 31.700 0.037 0.000 0.913 263 L N 2.383 123.611 121.223 0.009 0.000 2.397 263 L HA 0.150 4.490 4.340 0.001 0.000 0.271 263 L C 1.327 178.241 176.870 0.073 0.000 1.148 263 L CA -0.312 54.565 54.840 0.060 0.000 0.825 263 L CB 0.562 42.633 42.059 0.020 0.000 1.117 263 L HN 0.489 nan 8.230 nan 0.000 0.456 264 S N 3.611 119.364 115.700 0.088 0.000 2.565 264 S HA 0.382 4.852 4.470 0.001 0.000 0.276 264 S C 0.116 174.744 174.600 0.048 0.000 1.326 264 S CA -0.930 57.308 58.200 0.063 0.000 1.045 264 S CB 1.374 64.610 63.200 0.061 0.000 0.918 264 S HN 0.469 nan 8.310 nan 0.000 0.505 265 R N 0.000 120.522 120.500 0.036 0.000 2.786 265 R HA 0.000 4.340 4.340 0.001 0.000 0.208 265 R CA 0.000 56.118 56.100 0.030 0.000 0.921 265 R CB 0.000 30.314 30.300 0.024 0.000 0.687 265 R HN 0.000 nan 8.270 nan 0.000 0.535