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 3log_1_C DATA FIRST_RESID 15 DATA SEQUENCE SSSIPMPAGV NPADLAAELA AVVTESVDED YLLYECDGQW VLAAGVQAMV DATA SEQUENCE ELDSDELRVI RDGVTRRQQW SGRPGAALGE AVDRLLLETD QAFGWVAFEF DATA SEQUENCE GVHRYGLQQR LAPHTPLARV FSPRTRIMVS EKEIRLFDAG IRHREAIDRL DATA SEQUENCE LATGVREVPQ SRSVDVSDDP SGFRRRVAVA VDEIAAGRYH KVILSRCVEV DATA SEQUENCE PFAIDFPLTY RLGRRHNTPV RSFLLQLGGI RALGYSPELV TAVRADGVVI DATA SEQUENCE TEPLAGTRAL GRGPAIDRLA RDDLESNSKE IVEHAISVRS SLEEITDIAE DATA SEQUENCE PGSAAVIDFM TVRERGSVQH LGSTIRARLD PSSDRMAALE ALFPAVTASG DATA SEQUENCE IPKAAGVEAI FRLDECPRGL YSGAVVMLSA DGGLDAALTL RAAYQVGGRT DATA SEQUENCE WLRAGAGIIE ESEPEREFEE TCEKLSTLTP YLVAR 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 15 S HA 0.000 nan 4.470 nan 0.000 0.327 15 S C 0.000 174.413 174.600 -0.311 0.000 1.055 15 S CA 0.000 57.869 58.200 -0.552 0.000 1.107 15 S CB 0.000 62.435 63.200 -1.274 0.000 0.593 16 S N 1.148 116.683 115.700 -0.274 0.000 2.722 16 S HA 0.913 5.383 4.470 0.001 0.000 0.292 16 S C -0.156 174.355 174.600 -0.148 0.000 1.135 16 S CA -0.626 57.480 58.200 -0.157 0.000 1.003 16 S CB 1.599 64.737 63.200 -0.103 0.000 1.067 16 S HN 1.450 nan 8.310 nan 0.000 0.546 17 S N -0.476 115.174 115.700 -0.084 0.000 2.541 17 S HA 0.714 5.184 4.470 0.001 0.000 0.271 17 S C -1.557 173.025 174.600 -0.029 0.000 1.133 17 S CA -0.842 57.325 58.200 -0.055 0.000 0.876 17 S CB 0.586 63.760 63.200 -0.044 0.000 1.105 17 S HN 0.692 nan 8.310 nan 0.000 0.470 18 I N 3.750 124.311 120.570 -0.014 0.000 2.533 18 I HA 0.413 4.584 4.170 0.001 0.000 0.290 18 I C -2.488 173.629 176.117 -0.001 0.000 1.056 18 I CA -2.477 58.819 61.300 -0.008 0.000 1.057 18 I CB 2.573 40.570 38.000 -0.004 0.000 1.240 18 I HN 0.418 nan 8.210 nan 0.000 0.423 19 P HA 0.133 nan 4.420 nan 0.000 0.271 19 P C -0.486 176.813 177.300 -0.001 0.000 1.218 19 P CA -0.465 62.636 63.100 0.001 0.000 0.780 19 P CB 0.514 32.213 31.700 -0.001 0.000 0.901 20 M N 5.211 124.812 119.600 0.001 0.000 2.217 20 M HA 0.230 4.710 4.480 0.001 0.000 0.352 20 M C -2.156 174.136 176.300 -0.013 0.000 1.376 20 M CA -1.986 53.310 55.300 -0.007 0.000 1.107 20 M CB -0.352 32.244 32.600 -0.006 0.000 1.723 20 M HN 0.175 nan 8.290 nan 0.000 0.461 21 P HA 0.234 nan 4.420 nan 0.000 0.271 21 P C -1.213 176.073 177.300 -0.023 0.000 1.216 21 P CA -0.373 62.715 63.100 -0.020 0.000 0.776 21 P CB 0.259 31.946 31.700 -0.022 0.000 0.881 22 A N 2.064 124.872 122.820 -0.020 0.000 2.520 22 A HA 0.416 4.737 4.320 0.001 0.000 0.235 22 A C 1.484 179.052 177.584 -0.027 0.000 1.065 22 A CA 0.684 52.709 52.037 -0.021 0.000 0.764 22 A CB -1.187 17.803 19.000 -0.017 0.000 1.002 22 A HN 0.947 nan 8.150 nan 0.000 0.502 23 G N 0.047 108.828 108.800 -0.031 0.000 2.179 23 G HA2 -0.114 3.847 3.960 0.001 0.000 0.260 23 G HA3 -0.114 3.847 3.960 0.001 0.000 0.260 23 G C 0.063 174.935 174.900 -0.047 0.000 0.977 23 G CA 0.242 45.321 45.100 -0.036 0.000 0.641 23 G HN 1.570 nan 8.290 nan 0.000 0.533 24 V N 0.534 120.416 119.914 -0.053 0.000 2.540 24 V HA 0.482 4.603 4.120 0.001 0.000 0.302 24 V C 0.130 176.168 176.094 -0.093 0.000 1.035 24 V CA -0.986 61.272 62.300 -0.069 0.000 0.873 24 V CB 1.753 33.538 31.823 -0.062 0.000 0.992 24 V HN 0.370 nan 8.190 nan 0.000 0.428 25 N N 5.647 124.271 118.700 -0.126 0.000 2.487 25 N HA 0.377 5.118 4.740 0.001 0.000 0.292 25 N C -1.832 173.508 175.510 -0.284 0.000 1.108 25 N CA -1.414 51.528 53.050 -0.181 0.000 0.956 25 N CB 1.866 40.244 38.487 -0.182 0.000 1.176 25 N HN 0.400 nan 8.380 nan 0.000 0.484 26 P HA -0.138 nan 4.420 nan 0.000 0.219 26 P C 0.774 177.516 177.300 -0.931 0.000 1.150 26 P CA 0.952 63.725 63.100 -0.545 0.000 0.814 26 P CB 0.151 31.540 31.700 -0.519 0.000 0.787 27 A N 0.676 122.746 122.820 -1.250 0.000 1.933 27 A HA -0.188 4.132 4.320 0.001 0.000 0.218 27 A C 2.046 179.441 177.584 -0.314 0.000 1.175 27 A CA 1.878 53.313 52.037 -1.004 0.000 0.628 27 A CB -1.185 17.604 19.000 -0.351 0.000 0.814 27 A HN 0.087 nan 8.150 nan 0.000 0.444 28 D N -0.385 119.863 120.400 -0.253 0.000 2.097 28 D HA -0.119 4.522 4.640 0.001 0.000 0.197 28 D C 1.881 178.119 176.300 -0.103 0.000 0.984 28 D CA 1.252 55.182 54.000 -0.117 0.000 0.826 28 D CB -0.439 40.293 40.800 -0.114 0.000 0.973 28 D HN 0.325 nan 8.370 nan 0.000 0.460 29 L N 1.208 122.341 121.223 -0.149 0.000 2.046 29 L HA -0.092 4.249 4.340 0.001 0.000 0.208 29 L C 2.243 179.063 176.870 -0.084 0.000 1.077 29 L CA 1.606 56.384 54.840 -0.103 0.000 0.747 29 L CB -0.747 41.251 42.059 -0.101 0.000 0.896 29 L HN -0.049 nan 8.230 nan 0.000 0.432 30 A N -0.751 122.000 122.820 -0.116 0.000 1.902 30 A HA -0.123 4.198 4.320 0.001 0.000 0.217 30 A C 2.422 179.986 177.584 -0.034 0.000 1.181 30 A CA 1.822 53.833 52.037 -0.043 0.000 0.623 30 A CB -1.110 17.898 19.000 0.015 0.000 0.818 30 A HN 0.529 nan 8.150 nan 0.000 0.443 31 A N -0.651 122.163 122.820 -0.010 0.000 1.930 31 A HA -0.094 4.227 4.320 0.001 0.000 0.217 31 A C 1.933 179.510 177.584 -0.012 0.000 1.175 31 A CA 1.529 53.575 52.037 0.015 0.000 0.627 31 A CB -0.347 18.769 19.000 0.195 0.000 0.815 31 A HN 0.459 nan 8.150 nan 0.000 0.443 32 E N -0.434 119.756 120.200 -0.016 0.000 2.106 32 E HA -0.152 4.199 4.350 0.001 0.000 0.192 32 E C 1.953 178.519 176.600 -0.057 0.000 0.984 32 E CA 0.997 57.381 56.400 -0.026 0.000 0.806 32 E CB -0.452 29.232 29.700 -0.026 0.000 0.750 32 E HN 0.513 nan 8.360 nan 0.000 0.458 33 L N 1.145 122.327 121.223 -0.067 0.000 2.046 33 L HA -0.096 4.245 4.340 0.001 0.000 0.208 33 L C 2.236 179.015 176.870 -0.151 0.000 1.077 33 L CA 1.973 56.763 54.840 -0.082 0.000 0.747 33 L CB -0.840 41.188 42.059 -0.053 0.000 0.896 33 L HN 0.035 nan 8.230 nan 0.000 0.432 34 A N -0.299 122.387 122.820 -0.224 0.000 1.873 34 A HA -0.252 4.069 4.320 0.001 0.000 0.218 34 A C 2.479 179.845 177.584 -0.364 0.000 1.193 34 A CA 2.451 54.192 52.037 -0.493 0.000 0.629 34 A CB -1.371 17.254 19.000 -0.626 0.000 0.826 34 A HN 0.600 nan 8.150 nan 0.000 0.447 35 A N -0.866 121.855 122.820 -0.165 0.000 1.908 35 A HA -0.012 4.309 4.320 0.001 0.000 0.218 35 A C 2.273 179.819 177.584 -0.063 0.000 1.181 35 A CA 1.908 53.907 52.037 -0.063 0.000 0.627 35 A CB -1.010 17.986 19.000 -0.007 0.000 0.818 35 A HN 0.440 nan 8.150 nan 0.000 0.445 36 V N -0.345 119.523 119.914 -0.077 0.000 2.295 36 V HA -0.235 3.886 4.120 0.001 0.000 0.246 36 V C 2.581 178.621 176.094 -0.091 0.000 1.049 36 V CA 2.053 64.312 62.300 -0.069 0.000 1.024 36 V CB -0.765 31.018 31.823 -0.066 0.000 0.648 36 V HN 0.378 nan 8.190 nan 0.000 0.447 37 V N -0.289 119.548 119.914 -0.129 0.000 2.490 37 V HA -0.272 3.849 4.120 0.001 0.000 0.250 37 V C 2.535 178.575 176.094 -0.090 0.000 1.061 37 V CA 2.446 64.651 62.300 -0.158 0.000 1.064 37 V CB -1.076 30.643 31.823 -0.173 0.000 0.670 37 V HN 0.618 nan 8.190 nan 0.000 0.461 38 T N -0.323 114.197 114.554 -0.057 0.000 2.635 38 T HA -0.300 4.051 4.350 0.001 0.000 0.267 38 T C 1.898 176.604 174.700 0.010 0.000 1.040 38 T CA 2.136 64.251 62.100 0.025 0.000 1.156 38 T CB -0.233 68.679 68.868 0.073 0.000 0.863 38 T HN 0.662 nan 8.240 nan 0.000 0.430 39 E N 0.577 120.772 120.200 -0.008 0.000 2.077 39 E HA -0.147 4.204 4.350 0.001 0.000 0.193 39 E C 2.350 178.940 176.600 -0.017 0.000 0.989 39 E CA 1.515 57.911 56.400 -0.005 0.000 0.800 39 E CB -0.010 29.684 29.700 -0.009 0.000 0.746 39 E HN 0.616 nan 8.360 nan 0.000 0.452 40 S N -0.419 115.255 115.700 -0.042 0.000 2.404 40 S HA -0.076 4.395 4.470 0.001 0.000 0.223 40 S C 1.956 176.528 174.600 -0.047 0.000 1.040 40 S CA 0.810 58.979 58.200 -0.052 0.000 0.957 40 S CB 0.238 63.389 63.200 -0.082 0.000 0.826 40 S HN 0.270 nan 8.310 nan 0.000 0.491 41 V N -1.883 117.998 119.914 -0.056 0.000 3.605 41 V HA 0.363 4.484 4.120 0.001 0.000 0.284 41 V C 0.398 176.502 176.094 0.017 0.000 1.386 41 V CA 0.643 62.929 62.300 -0.023 0.000 1.053 41 V CB -0.712 31.086 31.823 -0.041 0.000 0.857 41 V HN 0.404 nan 8.190 nan 0.000 0.436 42 D N 1.887 122.300 120.400 0.022 0.000 2.746 42 D HA -0.206 4.435 4.640 0.001 0.000 0.236 42 D C 0.341 176.671 176.300 0.051 0.000 1.129 42 D CA 1.461 55.483 54.000 0.037 0.000 0.691 42 D CB -1.022 39.793 40.800 0.025 0.000 1.077 42 D HN 1.006 nan 8.370 nan 0.000 0.432 43 E N -0.855 119.393 120.200 0.081 0.000 2.232 43 E HA 0.543 4.894 4.350 0.001 0.000 0.264 43 E C -0.431 176.236 176.600 0.112 0.000 0.973 43 E CA -1.021 55.433 56.400 0.090 0.000 0.849 43 E CB 1.125 30.903 29.700 0.130 0.000 1.198 43 E HN -0.037 nan 8.360 nan 0.000 0.407 44 D N 0.387 120.797 120.400 0.016 0.000 2.358 44 D HA 0.290 4.931 4.640 0.001 0.000 0.244 44 D C -0.704 175.603 176.300 0.012 0.000 1.163 44 D CA 0.310 54.256 54.000 -0.089 0.000 0.945 44 D CB 0.551 41.205 40.800 -0.244 0.000 1.152 44 D HN 0.496 nan 8.370 nan 0.000 0.451 45 Y N -1.694 118.540 120.300 -0.111 0.000 2.677 45 Y HA 0.613 5.164 4.550 0.002 0.000 0.334 45 Y C -2.102 173.833 175.900 0.058 0.000 1.196 45 Y CA -1.335 56.760 58.100 -0.009 0.000 1.059 45 Y CB 1.149 39.626 38.460 0.027 0.000 1.315 45 Y HN 0.295 nan 8.280 nan 0.000 0.455 46 L N 3.046 124.480 121.223 0.352 0.000 2.470 46 L HA 0.630 4.971 4.340 0.001 0.000 0.268 46 L C -2.102 174.923 176.870 0.258 0.000 0.964 46 L CA -1.061 53.956 54.840 0.294 0.000 0.839 46 L CB 1.850 44.129 42.059 0.368 0.000 1.276 46 L HN 0.836 nan 8.230 nan 0.000 0.403 47 L N 5.225 126.632 121.223 0.307 0.000 2.272 47 L HA 0.474 4.815 4.340 0.001 0.000 0.289 47 L C -1.682 175.368 176.870 0.299 0.000 1.032 47 L CA 0.066 55.038 54.840 0.220 0.000 0.810 47 L CB 1.168 43.308 42.059 0.135 0.000 1.205 47 L HN 0.581 nan 8.230 nan 0.000 0.422 48 Y N 4.149 124.520 120.300 0.118 0.000 2.338 48 Y HA 0.392 4.942 4.550 0.001 0.000 0.333 48 Y C -0.432 175.466 175.900 -0.003 0.000 0.968 48 Y CA -0.664 57.513 58.100 0.128 0.000 1.123 48 Y CB 1.372 39.956 38.460 0.207 0.000 1.165 48 Y HN 0.710 nan 8.280 nan 0.000 0.452 49 E N 5.939 125.841 120.200 -0.496 0.000 2.146 49 E HA 0.378 4.728 4.350 0.001 0.000 0.282 49 E C -1.690 174.431 176.600 -0.798 0.000 0.989 49 E CA -0.398 55.513 56.400 -0.816 0.000 0.799 49 E CB 0.846 29.935 29.700 -1.019 0.000 1.088 49 E HN 0.690 nan 8.360 nan 0.000 0.397 50 C N 5.737 124.706 119.300 -0.551 0.000 2.571 50 C HA 0.234 4.695 4.460 0.001 0.000 0.343 50 C C -0.947 173.910 174.990 -0.221 0.000 1.082 50 C CA -0.465 58.349 59.018 -0.340 0.000 1.339 50 C CB -0.419 27.254 27.740 -0.111 0.000 1.893 50 C HN 0.945 nan 8.230 nan 0.000 0.445 51 D N 4.115 124.393 120.400 -0.202 0.000 2.699 51 D HA -0.135 4.506 4.640 0.001 0.000 0.239 51 D C 1.166 177.413 176.300 -0.089 0.000 1.136 51 D CA 2.428 56.362 54.000 -0.109 0.000 0.668 51 D CB -1.189 39.583 40.800 -0.047 0.000 1.060 51 D HN 1.772 nan 8.370 nan 0.000 0.429 52 G N -1.034 107.663 108.800 -0.172 0.000 2.176 52 G HA2 -0.313 3.648 3.960 0.001 0.000 0.253 52 G HA3 -0.313 3.648 3.960 0.001 0.000 0.253 52 G C 0.049 175.008 174.900 0.097 0.000 0.979 52 G CA 0.209 45.302 45.100 -0.013 0.000 0.641 52 G HN 0.386 nan 8.290 nan 0.000 0.530 53 Q N -0.280 119.498 119.800 -0.036 0.000 2.325 53 Q HA 0.340 4.681 4.340 0.001 0.000 0.262 53 Q C -0.487 175.534 176.000 0.035 0.000 0.968 53 Q CA -0.482 55.394 55.803 0.122 0.000 0.877 53 Q CB 1.111 29.909 28.738 0.101 0.000 1.253 53 Q HN 0.479 nan 8.270 nan 0.000 0.448 54 W N 3.497 124.840 121.300 0.072 0.000 2.317 54 W HA 0.298 4.959 4.660 0.001 0.000 0.327 54 W C -0.480 176.088 176.519 0.081 0.000 1.036 54 W CA -0.545 56.845 57.345 0.075 0.000 1.419 54 W CB 1.270 30.773 29.460 0.071 0.000 1.253 54 W HN 0.207 nan 8.180 nan 0.000 0.392 55 V N 6.336 126.383 119.914 0.221 0.000 2.334 55 V HA 0.058 4.179 4.120 0.001 0.000 0.267 55 V C 0.044 176.180 176.094 0.069 0.000 1.040 55 V CA -0.658 61.736 62.300 0.157 0.000 0.866 55 V CB 0.927 32.869 31.823 0.200 0.000 1.019 55 V HN 0.246 nan 8.190 nan 0.000 0.468 56 L N 5.874 127.127 121.223 0.049 0.000 2.283 56 L HA 0.669 5.010 4.340 0.001 0.000 0.287 56 L C 0.601 177.408 176.870 -0.105 0.000 1.073 56 L CA -0.015 54.828 54.840 0.004 0.000 0.822 56 L CB 0.696 42.773 42.059 0.030 0.000 1.186 56 L HN 0.678 nan 8.230 nan 0.000 0.436 57 A N 5.342 128.018 122.820 -0.241 0.000 2.366 57 A HA 0.779 5.099 4.320 0.001 0.000 0.322 57 A C -0.045 177.592 177.584 0.089 0.000 1.397 57 A CA -0.036 51.805 52.037 -0.328 0.000 0.984 57 A CB -0.021 18.302 19.000 -1.128 0.000 1.149 57 A HN 0.949 nan 8.150 nan 0.000 0.540 58 A N 2.697 125.578 122.820 0.102 0.000 2.287 58 A HA 0.835 5.156 4.320 0.001 0.000 0.317 58 A C 0.611 178.287 177.584 0.153 0.000 1.220 58 A CA 0.157 52.296 52.037 0.170 0.000 0.835 58 A CB 0.170 19.262 19.000 0.154 0.000 1.180 58 A HN 2.743 nan 8.150 nan 0.000 0.500 59 G N 0.015 108.917 108.800 0.170 0.000 2.733 59 G HA2 0.184 4.145 3.960 0.001 0.000 0.686 59 G HA3 0.184 4.145 3.960 0.001 0.000 0.686 59 G C -0.783 174.193 174.900 0.126 0.000 1.373 59 G CA -0.387 44.777 45.100 0.107 0.000 0.838 59 G HN 1.622 nan 8.290 nan 0.000 0.588 60 V N 2.460 122.400 119.914 0.044 0.000 2.350 60 V HA 0.419 4.540 4.120 0.001 0.000 0.285 60 V C 1.287 177.440 176.094 0.099 0.000 1.014 60 V CA 0.495 62.842 62.300 0.078 0.000 0.831 60 V CB 1.218 32.974 31.823 -0.112 0.000 1.000 60 V HN 0.992 nan 8.190 nan 0.000 0.433 61 Q N 4.210 124.097 119.800 0.145 0.000 2.089 61 Q HA 0.264 4.605 4.340 0.001 0.000 0.195 61 Q C 0.665 176.708 176.000 0.071 0.000 0.963 61 Q CA 1.295 57.150 55.803 0.086 0.000 0.834 61 Q CB 0.466 29.248 28.738 0.074 0.000 0.906 61 Q HN 0.857 nan 8.270 nan 0.000 0.452 62 A N 0.571 123.450 122.820 0.098 0.000 2.520 62 A HA 0.612 4.933 4.320 0.001 0.000 0.298 62 A C -1.493 176.150 177.584 0.098 0.000 1.051 62 A CA -0.723 51.353 52.037 0.065 0.000 0.690 62 A CB 1.614 20.634 19.000 0.033 0.000 1.281 62 A HN 0.310 nan 8.150 nan 0.000 0.402 63 M N 2.502 122.136 119.600 0.056 0.000 2.321 63 M HA 0.658 5.138 4.480 0.001 0.000 0.315 63 M C -1.806 174.491 176.300 -0.004 0.000 1.052 63 M CA -0.498 54.833 55.300 0.052 0.000 0.936 63 M CB 1.837 34.443 32.600 0.010 0.000 1.639 63 M HN 0.395 nan 8.290 nan 0.000 0.433 64 V N 4.816 124.710 119.914 -0.035 0.000 2.370 64 V HA 0.439 4.560 4.120 0.001 0.000 0.283 64 V C -0.529 175.490 176.094 -0.126 0.000 1.023 64 V CA -0.520 61.728 62.300 -0.085 0.000 0.857 64 V CB 1.263 33.015 31.823 -0.118 0.000 0.985 64 V HN 0.821 nan 8.190 nan 0.000 0.443 65 E N 4.375 124.512 120.200 -0.106 0.000 2.102 65 E HA 0.377 4.728 4.350 0.001 0.000 0.263 65 E C -1.070 175.466 176.600 -0.107 0.000 0.894 65 E CA -0.763 55.567 56.400 -0.117 0.000 0.746 65 E CB 2.157 31.826 29.700 -0.053 0.000 1.129 65 E HN 0.453 nan 8.360 nan 0.000 0.416 66 L N 3.747 124.869 121.223 -0.168 0.000 2.257 66 L HA 0.364 4.705 4.340 0.001 0.000 0.290 66 L C -0.796 176.058 176.870 -0.027 0.000 1.044 66 L CA 0.004 54.750 54.840 -0.157 0.000 0.810 66 L CB 0.606 42.491 42.059 -0.290 0.000 1.193 66 L HN 0.323 nan 8.230 nan 0.000 0.425 67 D N 1.234 121.708 120.400 0.124 0.000 2.467 67 D HA 0.359 5.000 4.640 0.001 0.000 0.245 67 D C 0.981 177.524 176.300 0.405 0.000 1.038 67 D CA 0.250 54.383 54.000 0.222 0.000 1.038 67 D CB 2.015 42.944 40.800 0.215 0.000 1.278 67 D HN 0.577 nan 8.370 nan 0.000 0.564 68 S N -0.219 115.688 115.700 0.345 0.000 2.400 68 S HA -0.207 4.264 4.470 0.001 0.000 0.232 68 S C 0.840 175.561 174.600 0.202 0.000 1.025 68 S CA 1.475 59.897 58.200 0.370 0.000 0.993 68 S CB -0.183 63.153 63.200 0.226 0.000 0.808 68 S HN 0.571 nan 8.310 nan 0.000 0.478 69 D N -0.259 120.222 120.400 0.135 0.000 2.469 69 D HA 0.314 4.955 4.640 0.001 0.000 0.213 69 D C 0.200 176.518 176.300 0.030 0.000 1.135 69 D CA -0.225 53.746 54.000 -0.048 0.000 0.834 69 D CB 0.002 40.728 40.800 -0.123 0.000 1.009 69 D HN 0.633 nan 8.370 nan 0.000 0.507 70 E N -0.407 119.966 120.200 0.288 0.000 2.388 70 E HA 0.381 4.732 4.350 0.001 0.000 0.282 70 E C -2.208 174.612 176.600 0.366 0.000 1.026 70 E CA -0.916 55.662 56.400 0.296 0.000 0.820 70 E CB 1.685 31.490 29.700 0.175 0.000 1.226 70 E HN -0.006 nan 8.360 nan 0.000 0.432 71 L N 3.366 124.762 121.223 0.288 0.000 2.322 71 L HA 0.612 4.953 4.340 0.001 0.000 0.281 71 L C -1.221 175.683 176.870 0.057 0.000 1.014 71 L CA -0.190 54.699 54.840 0.081 0.000 0.815 71 L CB 1.261 43.303 42.059 -0.029 0.000 1.247 71 L HN 0.560 nan 8.230 nan 0.000 0.421 72 R N 3.663 124.173 120.500 0.018 0.000 2.562 72 R HA 0.772 5.113 4.340 0.001 0.000 0.298 72 R C -1.415 174.876 176.300 -0.014 0.000 0.961 72 R CA -0.936 55.172 56.100 0.013 0.000 0.881 72 R CB 2.323 32.636 30.300 0.021 0.000 1.159 72 R HN 0.463 nan 8.270 nan 0.000 0.450 73 V N 4.992 124.901 119.914 -0.009 0.000 2.409 73 V HA 0.448 4.569 4.120 0.001 0.000 0.291 73 V C -0.218 175.874 176.094 -0.004 0.000 1.020 73 V CA -0.597 61.695 62.300 -0.015 0.000 0.848 73 V CB 1.528 33.340 31.823 -0.018 0.000 0.990 73 V HN 0.610 nan 8.190 nan 0.000 0.430 74 I N 5.584 126.152 120.570 -0.003 0.000 2.382 74 I HA 0.638 4.809 4.170 0.001 0.000 0.286 74 I C -0.089 176.032 176.117 0.007 0.000 1.002 74 I CA -0.429 60.872 61.300 0.002 0.000 1.135 74 I CB 1.487 39.487 38.000 -0.001 0.000 1.288 74 I HN 0.534 nan 8.210 nan 0.000 0.448 75 R N 5.416 125.921 120.500 0.008 0.000 2.564 75 R HA 0.237 4.578 4.340 0.001 0.000 0.284 75 R C -1.114 175.192 176.300 0.010 0.000 1.031 75 R CA -0.493 55.614 56.100 0.011 0.000 0.904 75 R CB 1.337 31.643 30.300 0.010 0.000 1.199 75 R HN 0.630 nan 8.270 nan 0.000 0.443 76 D N 3.267 123.674 120.400 0.013 0.000 2.692 76 D HA -0.214 4.427 4.640 0.001 0.000 0.233 76 D C 0.818 177.124 176.300 0.010 0.000 1.172 76 D CA 2.124 56.131 54.000 0.012 0.000 0.636 76 D CB -0.844 39.964 40.800 0.012 0.000 1.028 76 D HN 1.046 nan 8.370 nan 0.000 0.419 77 G N -2.467 106.338 108.800 0.008 0.000 2.420 77 G HA2 -0.340 3.621 3.960 0.001 0.000 0.221 77 G HA3 -0.340 3.621 3.960 0.001 0.000 0.221 77 G C 0.380 175.284 174.900 0.007 0.000 1.117 77 G CA 0.047 45.151 45.100 0.007 0.000 0.657 77 G HN 0.618 nan 8.290 nan 0.000 0.512 78 V N 2.841 122.759 119.914 0.007 0.000 2.432 78 V HA 0.524 4.645 4.120 0.001 0.000 0.271 78 V C 0.609 176.707 176.094 0.007 0.000 1.046 78 V CA 0.398 62.702 62.300 0.007 0.000 0.945 78 V CB 1.316 33.143 31.823 0.007 0.000 0.992 78 V HN 0.351 nan 8.190 nan 0.000 0.471 79 T N 6.596 121.155 114.554 0.008 0.000 2.743 79 T HA 0.340 4.691 4.350 0.001 0.000 0.293 79 T C 0.113 174.821 174.700 0.012 0.000 0.945 79 T CA -0.232 61.874 62.100 0.010 0.000 1.030 79 T CB 0.317 69.193 68.868 0.013 0.000 0.912 79 T HN 0.599 nan 8.240 nan 0.000 0.483 80 R N 3.108 123.615 120.500 0.012 0.000 2.295 80 R HA 0.396 4.737 4.340 0.001 0.000 0.324 80 R C -0.355 175.958 176.300 0.022 0.000 0.968 80 R CA -0.723 55.385 56.100 0.014 0.000 0.837 80 R CB 0.709 31.014 30.300 0.010 0.000 1.133 80 R HN 0.574 nan 8.270 nan 0.000 0.450 81 R N 3.178 123.695 120.500 0.029 0.000 2.407 81 R HA 0.259 4.600 4.340 0.001 0.000 0.303 81 R C -0.669 175.661 176.300 0.050 0.000 0.981 81 R CA -0.589 55.538 56.100 0.044 0.000 0.905 81 R CB 1.939 32.268 30.300 0.048 0.000 1.099 81 R HN 0.550 nan 8.270 nan 0.000 0.459 82 Q N 1.489 121.334 119.800 0.074 0.000 2.323 82 Q HA 0.159 4.500 4.340 0.001 0.000 0.271 82 Q C -0.990 175.093 176.000 0.139 0.000 1.048 82 Q CA -0.889 54.967 55.803 0.088 0.000 0.792 82 Q CB 2.847 31.635 28.738 0.082 0.000 1.280 82 Q HN 0.356 nan 8.270 nan 0.000 0.441 83 Q N 3.265 123.125 119.800 0.100 0.000 2.394 83 Q HA 0.176 4.517 4.340 0.001 0.000 0.248 83 Q C -1.391 174.715 176.000 0.177 0.000 0.992 83 Q CA 0.139 55.989 55.803 0.077 0.000 0.888 83 Q CB 0.801 29.544 28.738 0.007 0.000 1.257 83 Q HN 0.780 nan 8.270 nan 0.000 0.462 84 W N 1.585 122.874 121.300 -0.018 0.000 3.217 84 W HA 0.572 5.233 4.660 0.001 0.000 0.323 84 W C -1.719 174.785 176.519 -0.026 0.000 1.216 84 W CA -0.880 56.449 57.345 -0.027 0.000 1.194 84 W CB 0.359 29.797 29.460 -0.037 0.000 1.397 84 W HN 0.684 nan 8.180 nan 0.000 0.537 85 S N 1.128 116.887 115.700 0.098 0.000 2.632 85 S HA 0.900 5.371 4.470 0.001 0.000 0.289 85 S C 0.190 174.881 174.600 0.152 0.000 1.115 85 S CA 0.093 58.259 58.200 -0.058 0.000 0.889 85 S CB 1.894 65.048 63.200 -0.077 0.000 1.116 85 S HN 2.218 nan 8.310 nan 0.000 0.486 86 G N 1.641 110.482 108.800 0.068 0.000 2.498 86 G HA2 -0.183 3.778 3.960 0.001 0.000 0.251 86 G HA3 -0.183 3.778 3.960 0.001 0.000 0.251 86 G C -0.750 174.277 174.900 0.211 0.000 1.170 86 G CA -0.435 44.726 45.100 0.102 0.000 0.944 86 G HN 0.954 nan 8.290 nan 0.000 0.567 87 R N 2.201 122.768 120.500 0.113 0.000 2.298 87 R HA 0.326 4.667 4.340 0.001 0.000 0.310 87 R C -1.186 175.050 176.300 -0.106 0.000 1.068 87 R CA -1.017 55.081 56.100 -0.005 0.000 0.957 87 R CB 1.385 31.639 30.300 -0.076 0.000 1.003 87 R HN 0.385 nan 8.270 nan 0.000 0.454 88 P HA -0.143 nan 4.420 nan 0.000 0.218 88 P C 1.160 178.183 177.300 -0.462 0.000 1.149 88 P CA 1.232 63.869 63.100 -0.771 0.000 0.817 88 P CB 0.203 31.247 31.700 -1.093 0.000 0.785 89 G N 0.616 109.220 108.800 -0.328 0.000 2.422 89 G HA2 -0.202 3.759 3.960 0.001 0.000 0.218 89 G HA3 -0.202 3.759 3.960 0.001 0.000 0.218 89 G C 1.810 176.648 174.900 -0.103 0.000 1.146 89 G CA 0.995 46.075 45.100 -0.032 0.000 0.769 89 G HN 0.354 nan 8.290 nan 0.000 0.547 90 A N 1.283 124.026 122.820 -0.129 0.000 1.877 90 A HA 0.245 4.566 4.320 0.001 0.000 0.216 90 A C 2.843 180.349 177.584 -0.129 0.000 1.186 90 A CA 2.384 54.362 52.037 -0.098 0.000 0.620 90 A CB -0.911 18.055 19.000 -0.055 0.000 0.822 90 A HN 0.776 nan 8.150 nan 0.000 0.443 91 A N -0.655 122.042 122.820 -0.204 0.000 1.877 91 A HA -0.040 4.281 4.320 0.001 0.000 0.216 91 A C 2.170 179.587 177.584 -0.279 0.000 1.186 91 A CA 1.801 53.674 52.037 -0.273 0.000 0.620 91 A CB -0.692 17.956 19.000 -0.586 0.000 0.822 91 A HN 0.671 nan 8.150 nan 0.000 0.443 92 L N 0.067 121.109 121.223 -0.302 0.000 2.056 92 L HA 0.005 4.346 4.340 0.001 0.000 0.207 92 L C 2.434 179.188 176.870 -0.192 0.000 1.078 92 L CA 2.303 56.993 54.840 -0.250 0.000 0.749 92 L CB -1.070 40.852 42.059 -0.227 0.000 0.901 92 L HN 0.313 nan 8.230 nan 0.000 0.433 93 G N -1.247 107.459 108.800 -0.158 0.000 2.418 93 G HA2 -0.339 3.621 3.960 0.001 0.000 0.217 93 G HA3 -0.339 3.621 3.960 0.001 0.000 0.217 93 G C 1.505 176.335 174.900 -0.116 0.000 1.158 93 G CA 0.838 45.858 45.100 -0.133 0.000 0.771 93 G HN 0.532 nan 8.290 nan 0.000 0.545 94 E N 0.337 120.473 120.200 -0.107 0.000 2.077 94 E HA -0.019 4.332 4.350 0.001 0.000 0.193 94 E C 2.704 179.251 176.600 -0.089 0.000 0.989 94 E CA 1.181 57.531 56.400 -0.084 0.000 0.800 94 E CB -0.242 29.417 29.700 -0.068 0.000 0.746 94 E HN 0.356 nan 8.360 nan 0.000 0.452 95 A N 0.063 122.817 122.820 -0.109 0.000 1.897 95 A HA -0.065 4.256 4.320 0.001 0.000 0.215 95 A C 2.372 179.890 177.584 -0.109 0.000 1.181 95 A CA 1.146 53.122 52.037 -0.103 0.000 0.620 95 A CB -0.444 18.484 19.000 -0.120 0.000 0.821 95 A HN 0.211 nan 8.150 nan 0.000 0.443 96 V N 0.761 120.594 119.914 -0.135 0.000 2.358 96 V HA -0.217 3.904 4.120 0.001 0.000 0.246 96 V C 2.081 178.099 176.094 -0.128 0.000 1.047 96 V CA 2.220 64.431 62.300 -0.148 0.000 1.035 96 V CB -0.857 30.853 31.823 -0.189 0.000 0.658 96 V HN 0.464 nan 8.190 nan 0.000 0.452 97 D N 0.026 120.358 120.400 -0.114 0.000 2.149 97 D HA -0.145 4.496 4.640 0.001 0.000 0.198 97 D C 2.413 178.666 176.300 -0.079 0.000 0.990 97 D CA 1.148 55.091 54.000 -0.095 0.000 0.839 97 D CB -0.255 40.496 40.800 -0.082 0.000 0.948 97 D HN 0.380 nan 8.370 nan 0.000 0.460 98 R N 0.070 120.527 120.500 -0.072 0.000 2.092 98 R HA 0.000 4.341 4.340 0.001 0.000 0.231 98 R C 2.536 178.802 176.300 -0.056 0.000 1.119 98 R CA 0.454 56.521 56.100 -0.056 0.000 0.970 98 R CB -0.425 29.846 30.300 -0.048 0.000 0.864 98 R HN 0.262 nan 8.270 nan 0.000 0.440 99 L N 0.786 121.968 121.223 -0.068 0.000 2.043 99 L HA -0.207 4.134 4.340 0.001 0.000 0.212 99 L C 2.183 179.011 176.870 -0.070 0.000 1.075 99 L CA 1.347 56.147 54.840 -0.066 0.000 0.752 99 L CB -0.453 41.555 42.059 -0.084 0.000 0.891 99 L HN 0.210 nan 8.230 nan 0.000 0.432 100 L N -0.521 120.650 121.223 -0.087 0.000 2.610 100 L HA -0.080 4.261 4.340 0.001 0.000 0.232 100 L C 2.153 178.984 176.870 -0.064 0.000 1.149 100 L CA 0.056 54.843 54.840 -0.089 0.000 0.872 100 L CB -0.170 41.822 42.059 -0.112 0.000 0.992 100 L HN 0.297 nan 8.230 nan 0.000 0.447 101 L N -0.724 120.468 121.223 -0.052 0.000 2.217 101 L HA -0.119 4.222 4.340 0.001 0.000 0.211 101 L C 2.100 178.952 176.870 -0.029 0.000 1.107 101 L CA 1.150 55.967 54.840 -0.038 0.000 0.783 101 L CB -0.101 41.938 42.059 -0.033 0.000 0.919 101 L HN 0.314 nan 8.230 nan 0.000 0.442 102 E N -1.824 118.359 120.200 -0.029 0.000 2.413 102 E HA 0.073 4.424 4.350 0.001 0.000 0.203 102 E C 0.195 176.786 176.600 -0.015 0.000 0.957 102 E CA 0.114 56.504 56.400 -0.017 0.000 0.950 102 E CB 0.972 30.664 29.700 -0.013 0.000 0.957 102 E HN 0.062 nan 8.360 nan 0.000 0.497 103 T N -0.282 114.255 114.554 -0.028 0.000 2.956 103 T HA 0.100 4.451 4.350 0.001 0.000 0.312 103 T C -0.768 173.899 174.700 -0.055 0.000 1.151 103 T CA -0.698 61.385 62.100 -0.029 0.000 1.024 103 T CB 1.544 70.395 68.868 -0.028 0.000 1.140 103 T HN -0.199 nan 8.240 nan 0.000 0.473 104 D N 1.999 122.365 120.400 -0.056 0.000 2.277 104 D HA 0.106 4.747 4.640 0.001 0.000 0.208 104 D C 0.532 176.749 176.300 -0.138 0.000 0.962 104 D CA 1.204 55.154 54.000 -0.084 0.000 0.865 104 D CB 0.484 41.240 40.800 -0.074 0.000 0.939 104 D HN 0.504 nan 8.370 nan 0.000 0.510 105 Q N -0.824 118.884 119.800 -0.153 0.000 2.416 105 Q HA 0.726 5.067 4.340 0.001 0.000 0.281 105 Q C -1.347 174.463 176.000 -0.316 0.000 1.067 105 Q CA -0.851 54.783 55.803 -0.282 0.000 0.809 105 Q CB 3.093 31.655 28.738 -0.294 0.000 1.418 105 Q HN -0.008 nan 8.270 nan 0.000 0.411 106 A N 1.298 123.763 122.820 -0.591 0.000 2.469 106 A HA 0.939 5.260 4.320 0.001 0.000 0.299 106 A C -1.679 175.316 177.584 -0.982 0.000 1.098 106 A CA -0.429 51.279 52.037 -0.549 0.000 0.737 106 A CB 1.156 19.936 19.000 -0.368 0.000 1.312 106 A HN 0.554 nan 8.150 nan 0.000 0.414 107 F N -0.498 119.071 119.950 -0.635 0.000 2.613 107 F HA 0.813 5.341 4.527 0.001 0.000 0.314 107 F C 0.791 176.366 175.800 -0.376 0.000 1.075 107 F CA 0.485 58.162 58.000 -0.539 0.000 0.945 107 F CB 2.687 41.344 39.000 -0.572 0.000 1.310 107 F HN 1.188 nan 8.300 nan 0.000 0.467 108 G N -0.042 108.740 108.800 -0.031 0.000 2.455 108 G HA2 0.271 4.231 3.960 0.001 0.000 0.223 108 G HA3 0.271 4.231 3.960 0.001 0.000 0.223 108 G C -2.417 172.512 174.900 0.049 0.000 1.226 108 G CA -0.638 44.505 45.100 0.071 0.000 0.948 108 G HN 0.936 nan 8.290 nan 0.000 0.478 109 W N -0.331 120.904 121.300 -0.108 0.000 3.107 109 W HA 0.761 5.422 4.660 0.001 0.000 0.331 109 W C -1.647 174.775 176.519 -0.162 0.000 1.204 109 W CA -1.310 55.946 57.345 -0.147 0.000 1.184 109 W CB 1.304 30.696 29.460 -0.115 0.000 1.421 109 W HN 0.562 nan 8.180 nan 0.000 0.544 110 V N 2.430 122.440 119.914 0.161 0.000 2.540 110 V HA 0.611 4.731 4.120 0.001 0.000 0.302 110 V C 0.498 176.825 176.094 0.390 0.000 1.035 110 V CA -0.753 61.522 62.300 -0.041 0.000 0.873 110 V CB 0.862 32.381 31.823 -0.506 0.000 0.992 110 V HN 0.761 nan 8.190 nan 0.000 0.428 111 A N 3.162 126.264 122.820 0.470 0.000 2.332 111 A HA 0.502 4.823 4.320 0.001 0.000 0.258 111 A C 0.786 178.728 177.584 0.596 0.000 1.087 111 A CA -0.178 52.209 52.037 0.583 0.000 0.802 111 A CB 0.035 19.392 19.000 0.594 0.000 1.042 111 A HN 0.921 nan 8.150 nan 0.000 0.489 112 F N 0.798 120.965 119.950 0.361 0.000 2.115 112 F HA -0.251 4.277 4.527 0.001 0.000 0.300 112 F C 1.802 177.824 175.800 0.371 0.000 1.092 112 F CA 2.713 60.892 58.000 0.299 0.000 1.245 112 F CB -0.055 39.007 39.000 0.103 0.000 0.995 112 F HN 0.731 nan 8.300 nan 0.000 0.481 113 E N -0.197 120.232 120.200 0.381 0.000 2.265 113 E HA -0.202 4.149 4.350 0.001 0.000 0.196 113 E C 1.829 178.637 176.600 0.348 0.000 0.996 113 E CA 1.025 57.599 56.400 0.289 0.000 0.832 113 E CB -0.811 29.099 29.700 0.351 0.000 0.756 113 E HN 0.595 nan 8.360 nan 0.000 0.491 114 F N 0.307 120.371 119.950 0.190 0.000 2.192 114 F HA -0.139 4.389 4.527 0.001 0.000 0.301 114 F C 1.953 177.829 175.800 0.126 0.000 1.079 114 F CA 1.697 59.723 58.000 0.044 0.000 1.303 114 F CB -0.148 38.735 39.000 -0.195 0.000 1.024 114 F HN 0.075 nan 8.300 nan 0.000 0.494 115 G N -0.710 108.285 108.800 0.325 0.000 2.985 115 G HA2 0.027 3.988 3.960 0.001 0.000 0.209 115 G HA3 0.027 3.988 3.960 0.001 0.000 0.209 115 G C 1.451 176.467 174.900 0.193 0.000 1.165 115 G CA 0.659 45.935 45.100 0.293 0.000 0.776 115 G HN 0.459 nan 8.290 nan 0.000 0.541 116 V N -2.227 117.810 119.914 0.206 0.000 2.951 116 V HA 0.034 4.154 4.120 0.001 0.000 0.255 116 V C 2.194 178.341 176.094 0.089 0.000 1.088 116 V CA 1.357 63.775 62.300 0.196 0.000 1.109 116 V CB -0.825 31.157 31.823 0.265 0.000 0.724 116 V HN 0.286 nan 8.190 nan 0.000 0.471 117 H N 1.260 120.321 119.070 -0.015 0.000 2.387 117 H HA -0.022 4.535 4.556 0.002 0.000 0.299 117 H C 2.381 177.620 175.328 -0.148 0.000 1.090 117 H CA 2.122 58.131 56.048 -0.065 0.000 1.332 117 H CB -0.397 29.315 29.762 -0.083 0.000 1.386 117 H HN 0.419 nan 8.280 nan 0.000 0.516 118 R N 0.060 120.478 120.500 -0.138 0.000 2.159 118 R HA -0.157 4.184 4.340 0.001 0.000 0.237 118 R C 0.513 176.430 176.300 -0.639 0.000 1.131 118 R CA 1.306 57.143 56.100 -0.438 0.000 0.982 118 R CB -0.076 29.843 30.300 -0.636 0.000 0.868 118 R HN 0.344 nan 8.270 nan 0.000 0.453 119 Y N -0.722 119.585 120.300 0.012 0.000 2.571 119 Y HA 0.332 4.883 4.550 0.001 0.000 0.275 119 Y C 1.169 177.056 175.900 -0.021 0.000 1.179 119 Y CA 0.018 58.120 58.100 0.004 0.000 1.242 119 Y CB 0.782 39.253 38.460 0.019 0.000 1.126 119 Y HN 0.270 nan 8.280 nan 0.000 0.524 120 G N 0.785 109.580 108.800 -0.009 0.000 2.225 120 G HA2 -0.303 3.657 3.960 0.001 0.000 0.267 120 G HA3 -0.303 3.657 3.960 0.001 0.000 0.267 120 G C 0.515 175.373 174.900 -0.071 0.000 1.024 120 G CA 0.707 45.784 45.100 -0.039 0.000 0.784 120 G HN 0.503 nan 8.290 nan 0.000 0.507 121 L N 0.301 121.471 121.223 -0.087 0.000 2.728 121 L HA 0.159 4.500 4.340 0.001 0.000 0.238 121 L C 2.654 179.379 176.870 -0.242 0.000 1.143 121 L CA 0.547 55.283 54.840 -0.173 0.000 0.937 121 L CB 0.169 42.149 42.059 -0.132 0.000 1.225 121 L HN 0.472 nan 8.230 nan 0.000 0.507 122 Q N -0.069 119.563 119.800 -0.280 0.000 2.224 122 Q HA -0.215 4.126 4.340 0.001 0.000 0.203 122 Q C 1.822 177.706 176.000 -0.193 0.000 0.970 122 Q CA 1.675 57.263 55.803 -0.358 0.000 0.865 122 Q CB -0.381 27.947 28.738 -0.683 0.000 0.922 122 Q HN 0.582 nan 8.270 nan 0.000 0.445 123 Q N 1.758 121.454 119.800 -0.173 0.000 2.437 123 Q HA -0.033 4.308 4.340 0.001 0.000 0.210 123 Q C 1.881 177.807 176.000 -0.124 0.000 0.972 123 Q CA 1.187 56.913 55.803 -0.129 0.000 0.903 123 Q CB -0.676 27.993 28.738 -0.115 0.000 0.967 123 Q HN 0.399 nan 8.270 nan 0.000 0.486 124 R N -0.518 119.867 120.500 -0.192 0.000 2.276 124 R HA 0.184 4.525 4.340 0.001 0.000 0.203 124 R C 0.371 176.684 176.300 0.022 0.000 1.017 124 R CA 0.019 55.998 56.100 -0.201 0.000 1.010 124 R CB -0.270 29.637 30.300 -0.654 0.000 0.900 124 R HN 0.473 nan 8.270 nan 0.000 0.469 125 L N 1.400 122.671 121.223 0.081 0.000 2.380 125 L HA 0.229 4.570 4.340 0.001 0.000 0.273 125 L C 0.693 177.626 176.870 0.105 0.000 1.138 125 L CA -0.572 54.377 54.840 0.182 0.000 0.832 125 L CB 0.777 42.949 42.059 0.188 0.000 1.124 125 L HN -0.020 nan 8.230 nan 0.000 0.454 126 A N 5.010 127.904 122.820 0.123 0.000 2.555 126 A HA 0.297 4.618 4.320 0.001 0.000 0.233 126 A C -2.131 175.484 177.584 0.051 0.000 1.060 126 A CA -0.826 51.262 52.037 0.085 0.000 0.759 126 A CB -0.678 18.387 19.000 0.108 0.000 0.995 126 A HN 0.498 nan 8.150 nan 0.000 0.506 127 P HA 0.033 nan 4.420 nan 0.000 0.267 127 P C -0.174 177.068 177.300 -0.096 0.000 1.201 127 P CA 0.649 63.642 63.100 -0.179 0.000 0.775 127 P CB 0.030 31.552 31.700 -0.298 0.000 0.854 128 H N -2.385 116.741 119.070 0.092 0.000 2.899 128 H HA -0.133 4.424 4.556 0.001 0.000 0.282 128 H C -0.378 175.028 175.328 0.130 0.000 1.198 128 H CA 0.808 56.918 56.048 0.104 0.000 1.140 128 H CB -2.679 27.132 29.762 0.083 0.000 1.317 128 H HN 0.344 nan 8.280 nan 0.000 0.375 129 T N 3.394 118.070 114.554 0.203 0.000 2.779 129 T HA 0.237 4.588 4.350 0.001 0.000 0.296 129 T C -1.984 172.863 174.700 0.244 0.000 0.938 129 T CA -0.847 61.387 62.100 0.224 0.000 1.119 129 T CB 1.351 70.353 68.868 0.223 0.000 0.891 129 T HN 0.086 nan 8.240 nan 0.000 0.526 130 P HA 0.211 nan 4.420 nan 0.000 0.271 130 P C 0.253 177.708 177.300 0.258 0.000 1.216 130 P CA -0.086 63.162 63.100 0.247 0.000 0.771 130 P CB 0.643 32.556 31.700 0.355 0.000 0.864 131 L N 1.497 122.809 121.223 0.149 0.000 2.467 131 L HA 0.499 4.840 4.340 0.001 0.000 0.213 131 L C 0.903 177.746 176.870 -0.045 0.000 1.053 131 L CA 0.335 55.270 54.840 0.160 0.000 0.847 131 L CB 0.007 42.169 42.059 0.172 0.000 1.075 131 L HN 0.364 nan 8.230 nan 0.000 0.479 132 A N -0.022 122.614 122.820 -0.307 0.000 2.608 132 A HA 0.779 5.100 4.320 0.001 0.000 0.292 132 A C -1.360 175.771 177.584 -0.756 0.000 1.066 132 A CA -0.592 51.078 52.037 -0.612 0.000 0.676 132 A CB 1.625 20.321 19.000 -0.506 0.000 1.277 132 A HN -0.004 nan 8.150 nan 0.000 0.413 133 R N 0.818 120.720 120.500 -0.995 0.000 2.539 133 R HA 0.548 4.889 4.340 0.001 0.000 0.295 133 R C -1.768 174.269 176.300 -0.438 0.000 1.138 133 R CA -0.353 55.325 56.100 -0.704 0.000 0.936 133 R CB 1.370 31.140 30.300 -0.882 0.000 1.182 133 R HN 0.518 nan 8.270 nan 0.000 0.459 134 V N 4.899 124.673 119.914 -0.234 0.000 2.588 134 V HA 0.613 4.734 4.120 0.001 0.000 0.304 134 V C -0.542 175.563 176.094 0.018 0.000 1.042 134 V CA -0.947 61.271 62.300 -0.136 0.000 0.877 134 V CB 1.866 33.544 31.823 -0.243 0.000 0.996 134 V HN 0.612 nan 8.190 nan 0.000 0.425 135 F N 1.913 121.811 119.950 -0.086 0.000 2.577 135 F HA 0.862 5.390 4.527 0.002 0.000 0.318 135 F C 0.131 175.941 175.800 0.016 0.000 1.065 135 F CA -0.928 57.049 58.000 -0.037 0.000 0.929 135 F CB 1.906 40.895 39.000 -0.018 0.000 1.237 135 F HN 0.414 nan 8.300 nan 0.000 0.468 136 S N 2.611 118.326 115.700 0.026 0.000 2.452 136 S HA 0.568 5.039 4.470 0.001 0.000 0.284 136 S C -2.724 171.955 174.600 0.133 0.000 1.171 136 S CA -1.356 56.828 58.200 -0.026 0.000 1.064 136 S CB 0.755 63.951 63.200 -0.006 0.000 0.967 136 S HN 0.617 nan 8.310 nan 0.000 0.484 137 P HA 0.286 nan 4.420 nan 0.000 0.276 137 P C 0.180 177.547 177.300 0.111 0.000 1.244 137 P CA -0.700 62.519 63.100 0.199 0.000 0.801 137 P CB 0.939 32.664 31.700 0.042 0.000 1.006 138 R N -0.097 120.459 120.500 0.093 0.000 2.115 138 R HA 0.086 4.427 4.340 0.001 0.000 0.226 138 R C 0.385 176.671 176.300 -0.023 0.000 1.100 138 R CA 1.149 57.260 56.100 0.019 0.000 0.980 138 R CB -0.166 30.125 30.300 -0.014 0.000 0.875 138 R HN 0.534 nan 8.270 nan 0.000 0.445 139 T N 0.246 114.776 114.554 -0.041 0.000 2.916 139 T HA 0.443 4.794 4.350 0.001 0.000 0.305 139 T C -0.971 173.730 174.700 0.001 0.000 1.119 139 T CA -0.763 61.309 62.100 -0.047 0.000 1.008 139 T CB 2.650 71.394 68.868 -0.208 0.000 1.129 139 T HN 0.021 nan 8.240 nan 0.000 0.480 140 R N 1.475 122.019 120.500 0.073 0.000 2.561 140 R HA 0.689 5.030 4.340 0.001 0.000 0.297 140 R C -1.095 175.330 176.300 0.210 0.000 0.969 140 R CA -0.720 55.418 56.100 0.062 0.000 0.879 140 R CB 1.797 32.062 30.300 -0.058 0.000 1.178 140 R HN 0.483 nan 8.270 nan 0.000 0.445 141 I N 3.643 124.302 120.570 0.149 0.000 2.382 141 I HA 0.345 4.516 4.170 0.001 0.000 0.286 141 I C -0.243 175.987 176.117 0.188 0.000 1.002 141 I CA -0.349 61.062 61.300 0.185 0.000 1.135 141 I CB 1.650 39.724 38.000 0.122 0.000 1.288 141 I HN 0.393 nan 8.210 nan 0.000 0.448 142 M N 6.489 126.243 119.600 0.257 0.000 2.149 142 M HA 0.488 4.968 4.480 0.001 0.000 0.342 142 M C -0.963 175.464 176.300 0.211 0.000 1.068 142 M CA -0.756 54.690 55.300 0.244 0.000 0.991 142 M CB 1.810 34.588 32.600 0.297 0.000 1.596 142 M HN 0.218 nan 8.290 nan 0.000 0.439 143 V N 2.819 122.869 119.914 0.227 0.000 2.417 143 V HA 0.611 4.732 4.120 0.001 0.000 0.291 143 V C 0.014 176.266 176.094 0.263 0.000 1.024 143 V CA -0.419 61.992 62.300 0.185 0.000 0.861 143 V CB 1.500 33.392 31.823 0.115 0.000 0.985 143 V HN 1.016 nan 8.190 nan 0.000 0.436 144 S N 2.482 118.294 115.700 0.187 0.000 2.740 144 S HA 0.713 5.184 4.470 0.001 0.000 0.300 144 S C 1.039 175.707 174.600 0.113 0.000 1.147 144 S CA 0.127 58.459 58.200 0.219 0.000 0.871 144 S CB 1.729 65.041 63.200 0.187 0.000 1.173 144 S HN 0.822 nan 8.310 nan 0.000 0.510 145 E N 0.504 120.773 120.200 0.115 0.000 2.160 145 E HA -0.164 4.187 4.350 0.001 0.000 0.195 145 E C 1.791 178.414 176.600 0.038 0.000 0.991 145 E CA 1.905 58.337 56.400 0.053 0.000 0.810 145 E CB -0.726 29.013 29.700 0.064 0.000 0.742 145 E HN 0.725 nan 8.360 nan 0.000 0.466 146 K N 0.021 120.453 120.400 0.054 0.000 2.128 146 K HA -0.012 4.309 4.320 0.001 0.000 0.202 146 K C 0.693 177.313 176.600 0.033 0.000 1.050 146 K CA 1.169 57.479 56.287 0.039 0.000 0.966 146 K CB 0.280 32.807 32.500 0.046 0.000 0.759 146 K HN 0.590 nan 8.250 nan 0.000 0.454 147 E N -0.267 119.961 120.200 0.047 0.000 2.407 147 E HA 0.276 4.627 4.350 0.001 0.000 0.279 147 E C -1.272 175.361 176.600 0.055 0.000 1.012 147 E CA -0.836 55.588 56.400 0.040 0.000 0.800 147 E CB 1.129 30.851 29.700 0.037 0.000 1.276 147 E HN 0.026 nan 8.360 nan 0.000 0.452 148 I N 1.573 122.167 120.570 0.040 0.000 2.330 148 I HA 0.404 4.574 4.170 0.001 0.000 0.289 148 I C -0.089 176.052 176.117 0.040 0.000 1.001 148 I CA -0.582 60.750 61.300 0.052 0.000 1.193 148 I CB 1.174 39.194 38.000 0.032 0.000 1.345 148 I HN 0.277 nan 8.210 nan 0.000 0.461 149 R N 6.069 126.614 120.500 0.075 0.000 2.393 149 R HA 0.673 5.014 4.340 0.001 0.000 0.310 149 R C -1.399 174.907 176.300 0.009 0.000 0.968 149 R CA -0.960 55.141 56.100 0.001 0.000 0.867 149 R CB 1.692 32.026 30.300 0.056 0.000 1.124 149 R HN 0.373 nan 8.270 nan 0.000 0.450 150 L N 4.075 125.203 121.223 -0.158 0.000 2.313 150 L HA 0.484 4.825 4.340 0.001 0.000 0.283 150 L C -0.861 175.853 176.870 -0.260 0.000 1.013 150 L CA -0.043 54.755 54.840 -0.070 0.000 0.816 150 L CB 0.917 42.957 42.059 -0.032 0.000 1.236 150 L HN 0.471 nan 8.230 nan 0.000 0.419 151 F N 2.036 121.997 119.950 0.018 0.000 2.460 151 F HA 0.348 4.876 4.527 0.001 0.000 0.341 151 F C 0.249 176.046 175.800 -0.004 0.000 1.130 151 F CA -0.927 57.081 58.000 0.013 0.000 0.962 151 F CB 1.448 40.461 39.000 0.023 0.000 1.171 151 F HN 0.591 nan 8.300 nan 0.000 0.436 152 D N 1.396 121.873 120.400 0.128 0.000 2.708 152 D HA -0.205 4.436 4.640 0.001 0.000 0.236 152 D C 0.008 176.317 176.300 0.015 0.000 1.146 152 D CA 0.616 54.653 54.000 0.061 0.000 0.662 152 D CB -0.735 40.104 40.800 0.063 0.000 1.059 152 D HN 0.549 nan 8.370 nan 0.000 0.428 153 A N 0.698 123.529 122.820 0.018 0.000 2.347 153 A HA 0.574 4.895 4.320 0.001 0.000 0.287 153 A C 1.217 178.815 177.584 0.025 0.000 1.199 153 A CA 0.358 52.400 52.037 0.009 0.000 0.851 153 A CB 0.849 19.883 19.000 0.057 0.000 1.118 153 A HN 0.275 nan 8.150 nan 0.000 0.525 154 G N 1.082 109.893 108.800 0.018 0.000 2.570 154 G HA2 0.361 4.322 3.960 0.001 0.000 0.276 154 G HA3 0.361 4.322 3.960 0.001 0.000 0.276 154 G C 0.988 175.949 174.900 0.102 0.000 1.346 154 G CA -0.438 44.698 45.100 0.060 0.000 1.034 154 G HN 0.648 nan 8.290 nan 0.000 0.512 155 I N -0.464 120.155 120.570 0.082 0.000 2.226 155 I HA -0.160 4.011 4.170 0.001 0.000 0.245 155 I C 3.056 179.214 176.117 0.069 0.000 1.100 155 I CA 1.113 62.450 61.300 0.063 0.000 1.374 155 I CB -0.178 37.846 38.000 0.041 0.000 1.057 155 I HN 0.441 nan 8.210 nan 0.000 0.413 156 R N -0.284 120.270 120.500 0.090 0.000 2.092 156 R HA -0.151 4.189 4.340 0.001 0.000 0.231 156 R C 2.280 178.554 176.300 -0.043 0.000 1.119 156 R CA 1.311 57.423 56.100 0.022 0.000 0.970 156 R CB -0.473 29.824 30.300 -0.004 0.000 0.864 156 R HN 0.435 nan 8.270 nan 0.000 0.440 157 H N 0.072 119.148 119.070 0.010 0.000 2.389 157 H HA 0.016 4.573 4.556 0.001 0.000 0.299 157 H C 2.095 177.425 175.328 0.004 0.000 1.081 157 H CA 1.281 57.334 56.048 0.008 0.000 1.345 157 H CB 0.064 29.836 29.762 0.018 0.000 1.393 157 H HN 0.085 nan 8.280 nan 0.000 0.520 158 R N 0.533 121.099 120.500 0.109 0.000 2.092 158 R HA -0.093 4.247 4.340 0.001 0.000 0.231 158 R C 1.990 178.303 176.300 0.022 0.000 1.119 158 R CA 1.313 57.446 56.100 0.055 0.000 0.970 158 R CB -0.092 30.234 30.300 0.043 0.000 0.864 158 R HN 0.515 nan 8.270 nan 0.000 0.440 159 E N 0.852 121.059 120.200 0.012 0.000 2.110 159 E HA -0.168 4.182 4.350 0.001 0.000 0.193 159 E C 2.083 178.669 176.600 -0.023 0.000 0.988 159 E CA 1.130 57.525 56.400 -0.007 0.000 0.804 159 E CB -0.117 29.577 29.700 -0.010 0.000 0.745 159 E HN 0.344 nan 8.360 nan 0.000 0.458 160 A N 1.246 124.039 122.820 -0.045 0.000 1.883 160 A HA -0.210 4.111 4.320 0.001 0.000 0.217 160 A C 2.190 179.752 177.584 -0.037 0.000 1.186 160 A CA 1.285 53.285 52.037 -0.063 0.000 0.624 160 A CB -0.649 18.276 19.000 -0.126 0.000 0.822 160 A HN 0.151 nan 8.150 nan 0.000 0.444 161 I N -0.560 120.001 120.570 -0.016 0.000 2.179 161 I HA -0.254 3.917 4.170 0.001 0.000 0.242 161 I C 2.172 178.283 176.117 -0.010 0.000 1.088 161 I CA 1.764 63.061 61.300 -0.006 0.000 1.357 161 I CB -0.463 37.545 38.000 0.013 0.000 1.051 161 I HN 0.263 nan 8.210 nan 0.000 0.409 162 D N 0.584 120.979 120.400 -0.008 0.000 2.104 162 D HA -0.161 4.480 4.640 0.001 0.000 0.194 162 D C 2.400 178.692 176.300 -0.014 0.000 0.994 162 D CA 1.273 55.267 54.000 -0.009 0.000 0.830 162 D CB -0.006 40.790 40.800 -0.007 0.000 0.959 162 D HN 0.130 nan 8.370 nan 0.000 0.452 163 R N -0.393 120.097 120.500 -0.018 0.000 2.081 163 R HA -0.104 4.237 4.340 0.001 0.000 0.235 163 R C 2.229 178.516 176.300 -0.021 0.000 1.131 163 R CA 0.599 56.687 56.100 -0.020 0.000 0.960 163 R CB -0.510 29.776 30.300 -0.024 0.000 0.856 163 R HN 0.202 nan 8.270 nan 0.000 0.436 164 L N 1.395 122.603 121.223 -0.024 0.000 1.989 164 L HA -0.172 4.169 4.340 0.001 0.000 0.211 164 L C 2.021 178.878 176.870 -0.022 0.000 1.071 164 L CA 1.698 56.523 54.840 -0.025 0.000 0.749 164 L CB -0.525 41.517 42.059 -0.029 0.000 0.890 164 L HN 0.136 nan 8.230 nan 0.000 0.431 165 L N -0.584 120.628 121.223 -0.019 0.000 2.127 165 L HA -0.182 4.159 4.340 0.001 0.000 0.211 165 L C 2.532 179.392 176.870 -0.016 0.000 1.089 165 L CA 1.068 55.898 54.840 -0.018 0.000 0.757 165 L CB -0.805 41.245 42.059 -0.014 0.000 0.899 165 L HN 0.419 nan 8.230 nan 0.000 0.434 166 A N -0.530 122.281 122.820 -0.015 0.000 2.119 166 A HA -0.120 4.201 4.320 0.001 0.000 0.217 166 A C 2.265 179.840 177.584 -0.014 0.000 1.153 166 A CA 1.776 53.805 52.037 -0.014 0.000 0.692 166 A CB -0.503 18.489 19.000 -0.012 0.000 0.799 166 A HN 0.513 nan 8.150 nan 0.000 0.458 167 T N -4.902 109.643 114.554 -0.016 0.000 2.978 167 T HA 0.456 4.807 4.350 0.001 0.000 0.248 167 T C 1.322 176.011 174.700 -0.018 0.000 1.018 167 T CA 1.167 63.258 62.100 -0.016 0.000 1.026 167 T CB -0.252 68.607 68.868 -0.015 0.000 1.032 167 T HN 1.778 nan 8.240 nan 0.000 0.485 168 G N 1.703 110.490 108.800 -0.021 0.000 2.645 168 G HA2 -0.136 3.824 3.960 0.001 0.000 0.246 168 G HA3 -0.136 3.824 3.960 0.001 0.000 0.246 168 G C -0.121 174.764 174.900 -0.025 0.000 1.322 168 G CA 0.060 45.145 45.100 -0.025 0.000 0.898 168 G HN 1.542 nan 8.290 nan 0.000 0.573 169 V N -1.832 118.065 119.914 -0.028 0.000 2.539 169 V HA 0.795 4.916 4.120 0.001 0.000 0.292 169 V C 0.918 177.000 176.094 -0.019 0.000 1.045 169 V CA -0.772 61.512 62.300 -0.027 0.000 0.945 169 V CB 1.394 33.195 31.823 -0.037 0.000 0.993 169 V HN 0.915 nan 8.190 nan 0.000 0.464 170 R N 2.249 122.742 120.500 -0.012 0.000 2.643 170 R HA 0.219 4.559 4.340 0.001 0.000 0.270 170 R C 0.059 176.355 176.300 -0.007 0.000 1.061 170 R CA -0.338 55.758 56.100 -0.006 0.000 1.107 170 R CB 0.356 30.657 30.300 0.002 0.000 0.999 170 R HN 0.745 nan 8.270 nan 0.000 0.460 171 E N 1.633 121.830 120.200 -0.006 0.000 2.376 171 E HA 0.023 4.373 4.350 0.001 0.000 0.266 171 E C -0.379 176.222 176.600 0.002 0.000 1.009 171 E CA 0.011 56.408 56.400 -0.005 0.000 0.902 171 E CB 0.932 30.629 29.700 -0.005 0.000 0.972 171 E HN 0.204 nan 8.360 nan 0.000 0.439 172 V N 5.878 125.795 119.914 0.005 0.000 2.488 172 V HA 0.111 4.232 4.120 0.001 0.000 0.277 172 V C -1.728 174.375 176.094 0.014 0.000 1.046 172 V CA -1.322 60.986 62.300 0.014 0.000 0.986 172 V CB 0.464 32.298 31.823 0.018 0.000 0.989 172 V HN 0.551 nan 8.190 nan 0.000 0.475 173 P HA 0.173 nan 4.420 nan 0.000 0.271 173 P C -0.152 177.152 177.300 0.007 0.000 1.233 173 P CA -0.323 62.781 63.100 0.006 0.000 0.789 173 P CB 0.313 32.014 31.700 0.002 0.000 0.951 174 Q N 0.031 119.828 119.800 -0.005 0.000 2.395 174 Q HA 0.242 4.583 4.340 0.001 0.000 0.271 174 Q C 0.806 176.794 176.000 -0.020 0.000 1.026 174 Q CA -0.234 55.563 55.803 -0.010 0.000 0.900 174 Q CB -0.046 28.678 28.738 -0.024 0.000 1.266 174 Q HN 0.695 nan 8.270 nan 0.000 0.430 175 S N 1.217 116.907 115.700 -0.017 0.000 2.645 175 S HA 0.550 5.020 4.470 0.001 0.000 0.266 175 S C -0.020 174.539 174.600 -0.068 0.000 1.258 175 S CA -0.889 57.298 58.200 -0.021 0.000 0.990 175 S CB 1.066 64.260 63.200 -0.009 0.000 0.967 175 S HN 0.663 nan 8.310 nan 0.000 0.556 176 R N 0.523 120.975 120.500 -0.081 0.000 2.494 176 R HA 0.447 4.788 4.340 0.001 0.000 0.305 176 R C -0.316 175.972 176.300 -0.021 0.000 0.959 176 R CA -0.429 55.568 56.100 -0.173 0.000 0.864 176 R CB 1.465 31.440 30.300 -0.542 0.000 1.159 176 R HN 0.940 nan 8.270 nan 0.000 0.446 177 S N 2.029 117.712 115.700 -0.029 0.000 2.592 177 S HA 0.382 4.853 4.470 0.001 0.000 0.271 177 S C -0.209 174.464 174.600 0.122 0.000 1.326 177 S CA -0.736 57.477 58.200 0.022 0.000 1.024 177 S CB 1.836 65.023 63.200 -0.021 0.000 0.921 177 S HN 0.382 nan 8.310 nan 0.000 0.527 178 V N 1.082 121.049 119.914 0.089 0.000 2.876 178 V HA 0.488 4.608 4.120 0.001 0.000 0.312 178 V C -1.461 174.654 176.094 0.035 0.000 1.085 178 V CA -0.853 61.503 62.300 0.094 0.000 0.945 178 V CB 2.098 33.956 31.823 0.058 0.000 1.017 178 V HN 1.078 nan 8.190 nan 0.000 0.428 179 D N 3.446 123.870 120.400 0.040 0.000 2.280 179 D HA 0.308 4.948 4.640 0.001 0.000 0.243 179 D C 0.514 176.830 176.300 0.026 0.000 1.129 179 D CA 0.165 54.183 54.000 0.030 0.000 0.848 179 D CB 1.850 42.672 40.800 0.037 0.000 1.107 179 D HN 0.520 nan 8.370 nan 0.000 0.471 180 V N 1.729 121.655 119.914 0.021 0.000 3.483 180 V HA 0.136 4.257 4.120 0.001 0.000 0.301 180 V C 1.358 177.508 176.094 0.092 0.000 1.389 180 V CA 0.693 63.000 62.300 0.011 0.000 1.101 180 V CB -0.208 31.584 31.823 -0.053 0.000 0.971 180 V HN 0.464 nan 8.190 nan 0.000 0.434 181 S N -0.766 115.012 115.700 0.130 0.000 2.496 181 S HA 0.038 4.509 4.470 0.001 0.000 0.224 181 S C 0.600 175.336 174.600 0.225 0.000 0.996 181 S CA 0.401 58.733 58.200 0.220 0.000 0.927 181 S CB -0.498 62.771 63.200 0.116 0.000 0.774 181 S HN 0.638 nan 8.310 nan 0.000 0.524 182 D N 1.587 122.083 120.400 0.160 0.000 2.382 182 D HA 0.323 4.964 4.640 0.001 0.000 0.240 182 D C -0.632 175.790 176.300 0.204 0.000 1.146 182 D CA 0.319 54.391 54.000 0.120 0.000 0.897 182 D CB 0.669 41.515 40.800 0.077 0.000 1.197 182 D HN 0.111 nan 8.370 nan 0.000 0.432 183 D N 1.216 121.694 120.400 0.130 0.000 2.739 183 D HA 0.211 4.852 4.640 0.001 0.000 0.335 183 D C -1.842 174.525 176.300 0.111 0.000 1.216 183 D CA -1.436 52.678 54.000 0.190 0.000 0.808 183 D CB 0.736 41.624 40.800 0.146 0.000 1.121 183 D HN 0.151 nan 8.370 nan 0.000 0.499 184 P HA -0.076 nan 4.420 nan 0.000 0.223 184 P C 0.957 178.284 177.300 0.044 0.000 1.151 184 P CA 0.619 63.746 63.100 0.045 0.000 0.787 184 P CB 0.200 31.916 31.700 0.026 0.000 0.788 185 S N -1.670 114.071 115.700 0.068 0.000 2.577 185 S HA 0.348 4.819 4.470 0.001 0.000 0.219 185 S C 1.420 176.078 174.600 0.097 0.000 0.962 185 S CA 0.238 58.477 58.200 0.064 0.000 0.921 185 S CB -1.113 62.118 63.200 0.052 0.000 0.789 185 S HN 0.271 nan 8.310 nan 0.000 0.497 186 G N 1.388 110.256 108.800 0.113 0.000 2.323 186 G HA2 -0.344 3.616 3.960 0.001 0.000 0.292 186 G HA3 -0.344 3.616 3.960 0.001 0.000 0.292 186 G C 0.156 175.152 174.900 0.160 0.000 1.040 186 G CA 0.323 45.490 45.100 0.111 0.000 0.942 186 G HN 0.582 nan 8.290 nan 0.000 0.506 187 F N 0.512 120.520 119.950 0.096 0.000 2.063 187 F HA -0.183 4.345 4.527 0.001 0.000 0.298 187 F C 2.714 178.583 175.800 0.115 0.000 1.109 187 F CA 2.551 60.622 58.000 0.117 0.000 1.212 187 F CB -0.168 38.942 39.000 0.182 0.000 0.973 187 F HN 0.302 nan 8.300 nan 0.000 0.480 188 R N -0.485 120.127 120.500 0.186 0.000 2.091 188 R HA -0.224 4.117 4.340 0.001 0.000 0.238 188 R C 2.338 178.599 176.300 -0.064 0.000 1.136 188 R CA 1.634 57.751 56.100 0.027 0.000 0.959 188 R CB -0.431 29.894 30.300 0.042 0.000 0.856 188 R HN 0.159 nan 8.270 nan 0.000 0.437 189 R N 1.176 121.657 120.500 -0.030 0.000 2.073 189 R HA -0.028 4.313 4.340 0.001 0.000 0.229 189 R C 2.004 178.266 176.300 -0.064 0.000 1.120 189 R CA 1.508 57.586 56.100 -0.037 0.000 0.967 189 R CB -0.193 30.100 30.300 -0.011 0.000 0.862 189 R HN 0.119 nan 8.270 nan 0.000 0.436 190 R N -0.595 119.853 120.500 -0.086 0.000 2.096 190 R HA -0.042 4.299 4.340 0.001 0.000 0.235 190 R C 2.166 178.369 176.300 -0.162 0.000 1.127 190 R CA 1.468 57.509 56.100 -0.099 0.000 0.968 190 R CB -0.442 29.814 30.300 -0.074 0.000 0.861 190 R HN 0.061 nan 8.270 nan 0.000 0.440 191 V N 1.168 120.897 119.914 -0.308 0.000 2.407 191 V HA -0.260 3.861 4.120 0.001 0.000 0.248 191 V C 2.454 178.471 176.094 -0.129 0.000 1.055 191 V CA 1.999 64.131 62.300 -0.280 0.000 1.049 191 V CB -0.676 30.902 31.823 -0.407 0.000 0.662 191 V HN 0.409 nan 8.190 nan 0.000 0.455 192 A N -0.297 122.461 122.820 -0.103 0.000 1.902 192 A HA -0.140 4.180 4.320 0.001 0.000 0.217 192 A C 2.376 179.934 177.584 -0.044 0.000 1.181 192 A CA 1.982 53.983 52.037 -0.059 0.000 0.623 192 A CB -0.590 18.382 19.000 -0.046 0.000 0.818 192 A HN 0.349 nan 8.150 nan 0.000 0.443 193 V N -0.136 119.755 119.914 -0.038 0.000 2.307 193 V HA -0.228 3.893 4.120 0.001 0.000 0.245 193 V C 3.052 179.146 176.094 -0.000 0.000 1.045 193 V CA 1.885 64.176 62.300 -0.014 0.000 1.024 193 V CB -1.283 30.540 31.823 -0.001 0.000 0.651 193 V HN 0.603 nan 8.190 nan 0.000 0.449 194 A N -0.242 122.586 122.820 0.013 0.000 1.902 194 A HA -0.165 4.156 4.320 0.001 0.000 0.217 194 A C 2.411 179.989 177.584 -0.010 0.000 1.181 194 A CA 2.061 54.139 52.037 0.068 0.000 0.623 194 A CB -0.719 18.336 19.000 0.091 0.000 0.818 194 A HN 0.324 nan 8.150 nan 0.000 0.443 195 V N 0.634 120.527 119.914 -0.035 0.000 2.343 195 V HA -0.252 3.869 4.120 0.001 0.000 0.247 195 V C 2.164 178.210 176.094 -0.079 0.000 1.051 195 V CA 2.365 64.630 62.300 -0.058 0.000 1.036 195 V CB -0.778 31.017 31.823 -0.048 0.000 0.654 195 V HN 0.511 nan 8.190 nan 0.000 0.451 196 D N -0.259 120.103 120.400 -0.063 0.000 2.144 196 D HA -0.154 4.487 4.640 0.001 0.000 0.199 196 D C 2.232 178.473 176.300 -0.099 0.000 0.984 196 D CA 1.205 55.166 54.000 -0.066 0.000 0.834 196 D CB -0.162 40.613 40.800 -0.042 0.000 0.955 196 D HN 0.567 nan 8.370 nan 0.000 0.465 197 E N 0.126 120.252 120.200 -0.123 0.000 2.077 197 E HA -0.112 4.239 4.350 0.001 0.000 0.193 197 E C 2.340 178.708 176.600 -0.386 0.000 0.989 197 E CA 0.472 56.742 56.400 -0.217 0.000 0.800 197 E CB -0.027 29.562 29.700 -0.185 0.000 0.746 197 E HN 0.312 nan 8.360 nan 0.000 0.452 198 I N 1.209 121.528 120.570 -0.418 0.000 2.252 198 I HA -0.245 3.926 4.170 0.001 0.000 0.245 198 I C 2.547 178.535 176.117 -0.214 0.000 1.102 198 I CA 0.872 61.931 61.300 -0.401 0.000 1.385 198 I CB -0.254 37.581 38.000 -0.275 0.000 1.064 198 I HN 0.062 nan 8.210 nan 0.000 0.414 199 A N 0.664 123.393 122.820 -0.152 0.000 1.940 199 A HA -0.151 4.170 4.320 0.001 0.000 0.219 199 A C 2.344 179.878 177.584 -0.083 0.000 1.176 199 A CA 1.817 53.798 52.037 -0.094 0.000 0.631 199 A CB -0.735 18.222 19.000 -0.071 0.000 0.814 199 A HN 0.434 nan 8.150 nan 0.000 0.446 200 A N -1.833 120.927 122.820 -0.101 0.000 2.235 200 A HA 0.407 4.728 4.320 0.001 0.000 0.208 200 A C 1.751 179.287 177.584 -0.080 0.000 1.172 200 A CA 1.172 53.162 52.037 -0.078 0.000 0.786 200 A CB -1.039 17.917 19.000 -0.073 0.000 0.804 200 A HN 1.920 nan 8.150 nan 0.000 0.479 201 G N -0.834 107.904 108.800 -0.104 0.000 2.143 201 G HA2 -0.274 3.687 3.960 0.001 0.000 0.249 201 G HA3 -0.274 3.687 3.960 0.001 0.000 0.249 201 G C 1.057 175.907 174.900 -0.084 0.000 0.981 201 G CA 0.452 45.507 45.100 -0.074 0.000 0.665 201 G HN 0.415 nan 8.290 nan 0.000 0.528 202 R N -0.892 119.497 120.500 -0.184 0.000 2.115 202 R HA 0.120 4.461 4.340 0.001 0.000 0.230 202 R C 1.081 177.394 176.300 0.021 0.000 1.111 202 R CA 2.041 58.072 56.100 -0.116 0.000 0.976 202 R CB -0.413 29.773 30.300 -0.191 0.000 0.870 202 R HN 0.923 nan 8.270 nan 0.000 0.445 203 Y N -5.513 114.809 120.300 0.037 0.000 2.818 203 Y HA 0.245 4.796 4.550 0.001 0.000 0.341 203 Y C 0.874 176.821 175.900 0.079 0.000 1.283 203 Y CA -1.094 57.041 58.100 0.058 0.000 1.075 203 Y CB 0.418 38.906 38.460 0.046 0.000 1.370 203 Y HN -0.153 nan 8.280 nan 0.000 0.448 204 H N 0.481 119.677 119.070 0.210 0.000 2.476 204 H HA 0.417 4.973 4.556 0.002 0.000 0.292 204 H C -0.291 175.131 175.328 0.157 0.000 1.019 204 H CA 1.048 57.166 56.048 0.116 0.000 1.330 204 H CB 0.628 30.441 29.762 0.085 0.000 1.451 204 H HN 0.543 nan 8.280 nan 0.000 0.535 205 K N 0.273 120.831 120.400 0.264 0.000 2.557 205 K HA 0.457 4.778 4.320 0.001 0.000 0.261 205 K C -2.196 174.509 176.600 0.174 0.000 0.932 205 K CA -0.807 55.580 56.287 0.166 0.000 0.829 205 K CB 2.366 34.961 32.500 0.157 0.000 1.358 205 K HN 0.010 nan 8.250 nan 0.000 0.430 206 V N 4.934 124.925 119.914 0.129 0.000 2.841 206 V HA 0.557 4.678 4.120 0.001 0.000 0.310 206 V C -1.434 174.687 176.094 0.045 0.000 1.090 206 V CA -0.889 61.421 62.300 0.017 0.000 0.930 206 V CB 1.830 33.604 31.823 -0.081 0.000 1.014 206 V HN 0.720 nan 8.190 nan 0.000 0.425 207 I N 6.868 127.457 120.570 0.031 0.000 2.304 207 I HA 0.453 4.624 4.170 0.001 0.000 0.291 207 I C -0.025 176.136 176.117 0.073 0.000 1.018 207 I CA 0.382 61.721 61.300 0.065 0.000 1.260 207 I CB 1.117 39.150 38.000 0.054 0.000 1.390 207 I HN 0.427 nan 8.210 nan 0.000 0.475 208 L N 5.616 126.920 121.223 0.134 0.000 2.322 208 L HA 0.779 5.119 4.340 0.001 0.000 0.269 208 L C 0.177 177.271 176.870 0.373 0.000 1.012 208 L CA -0.502 54.449 54.840 0.184 0.000 0.815 208 L CB 1.970 44.089 42.059 0.100 0.000 1.295 208 L HN 0.695 nan 8.230 nan 0.000 0.438 209 S N 0.837 116.723 115.700 0.310 0.000 2.685 209 S HA 0.838 5.309 4.470 0.001 0.000 0.282 209 S C -1.109 173.509 174.600 0.030 0.000 1.159 209 S CA -1.004 57.269 58.200 0.121 0.000 0.833 209 S CB 2.514 65.697 63.200 -0.028 0.000 1.151 209 S HN 0.755 nan 8.310 nan 0.000 0.485 210 R N -0.437 119.927 120.500 -0.228 0.000 2.564 210 R HA 0.696 5.037 4.340 0.001 0.000 0.284 210 R C -1.325 174.859 176.300 -0.194 0.000 1.031 210 R CA -0.740 55.247 56.100 -0.188 0.000 0.904 210 R CB 0.431 30.566 30.300 -0.275 0.000 1.199 210 R HN 0.672 nan 8.270 nan 0.000 0.443 211 C N 2.217 121.449 119.300 -0.113 0.000 2.605 211 C HA 0.466 4.927 4.460 0.001 0.000 0.404 211 C C 0.321 175.301 174.990 -0.017 0.000 1.284 211 C CA -0.392 58.611 59.018 -0.025 0.000 2.199 211 C CB 0.646 28.340 27.740 -0.077 0.000 2.647 211 C HN 0.542 nan 8.230 nan 0.000 0.604 212 V N 3.652 123.596 119.914 0.049 0.000 2.443 212 V HA 0.270 4.390 4.120 0.001 0.000 0.293 212 V C -0.236 175.911 176.094 0.087 0.000 1.021 212 V CA -0.440 61.877 62.300 0.028 0.000 0.848 212 V CB 1.413 33.225 31.823 -0.018 0.000 0.998 212 V HN 0.784 nan 8.190 nan 0.000 0.424 213 E N 3.225 123.457 120.200 0.053 0.000 2.360 213 E HA 0.243 4.594 4.350 0.001 0.000 0.269 213 E C -0.429 176.170 176.600 -0.003 0.000 1.022 213 E CA -0.158 56.278 56.400 0.060 0.000 0.887 213 E CB 1.733 31.444 29.700 0.018 0.000 0.990 213 E HN 0.376 nan 8.360 nan 0.000 0.426 214 V N 5.976 125.862 119.914 -0.047 0.000 2.364 214 V HA 0.136 4.257 4.120 0.001 0.000 0.272 214 V C -1.435 174.491 176.094 -0.280 0.000 1.036 214 V CA -1.195 60.949 62.300 -0.259 0.000 0.880 214 V CB 1.387 32.965 31.823 -0.409 0.000 0.991 214 V HN 0.550 nan 8.190 nan 0.000 0.460 215 P HA 0.125 nan 4.420 nan 0.000 0.253 215 P C -0.377 176.977 177.300 0.090 0.000 1.260 215 P CA 0.378 63.473 63.100 -0.008 0.000 0.800 215 P CB -0.143 31.619 31.700 0.104 0.000 1.162 216 F N -2.021 117.953 119.950 0.039 0.000 2.599 216 F HA 0.805 5.333 4.527 0.001 0.000 0.311 216 F C -0.470 175.360 175.800 0.049 0.000 1.076 216 F CA -2.297 55.725 58.000 0.037 0.000 0.937 216 F CB 0.583 39.595 39.000 0.020 0.000 1.282 216 F HN -0.230 nan 8.300 nan 0.000 0.460 217 A N 2.736 125.696 122.820 0.233 0.000 2.425 217 A HA 0.608 4.929 4.320 0.001 0.000 0.249 217 A C -0.133 177.593 177.584 0.237 0.000 1.084 217 A CA -0.470 51.671 52.037 0.173 0.000 0.781 217 A CB -0.112 18.988 19.000 0.167 0.000 1.019 217 A HN 0.973 nan 8.150 nan 0.000 0.490 218 I N -0.662 119.986 120.570 0.131 0.000 2.707 218 I HA 0.484 4.655 4.170 0.001 0.000 0.309 218 I C -0.426 175.748 176.117 0.096 0.000 1.001 218 I CA -0.874 60.470 61.300 0.073 0.000 1.129 218 I CB 1.811 39.708 38.000 -0.172 0.000 1.308 218 I HN 0.529 nan 8.210 nan 0.000 0.466 219 D N 3.405 123.847 120.400 0.070 0.000 2.380 219 D HA 0.179 4.820 4.640 0.001 0.000 0.230 219 D C 0.432 176.780 176.300 0.080 0.000 1.154 219 D CA -0.184 53.889 54.000 0.121 0.000 0.859 219 D CB 0.786 41.645 40.800 0.098 0.000 1.045 219 D HN 0.560 nan 8.370 nan 0.000 0.495 220 F N 4.057 124.054 119.950 0.079 0.000 2.075 220 F HA -0.041 4.487 4.527 0.001 0.000 0.297 220 F C -0.675 175.201 175.800 0.127 0.000 1.113 220 F CA 0.894 58.941 58.000 0.078 0.000 1.218 220 F CB -1.337 37.693 39.000 0.051 0.000 0.984 220 F HN 0.441 nan 8.300 nan 0.000 0.472 221 P HA -0.154 nan 4.420 nan 0.000 0.215 221 P C 1.892 179.317 177.300 0.208 0.000 1.153 221 P CA 1.528 64.765 63.100 0.229 0.000 0.853 221 P CB -0.042 31.751 31.700 0.155 0.000 0.788 222 L N -1.643 119.664 121.223 0.140 0.000 2.072 222 L HA -0.124 4.217 4.340 0.001 0.000 0.205 222 L C 2.297 179.220 176.870 0.089 0.000 1.079 222 L CA 1.593 56.492 54.840 0.099 0.000 0.752 222 L CB -1.560 40.540 42.059 0.069 0.000 0.906 222 L HN 0.012 nan 8.230 nan 0.000 0.436 223 T N -1.031 113.564 114.554 0.068 0.000 2.720 223 T HA -0.272 4.079 4.350 0.001 0.000 0.268 223 T C 1.704 176.463 174.700 0.098 0.000 1.037 223 T CA 1.600 63.726 62.100 0.043 0.000 1.144 223 T CB -0.424 68.391 68.868 -0.089 0.000 0.864 223 T HN 0.320 nan 8.240 nan 0.000 0.444 224 Y N 2.280 122.610 120.300 0.050 0.000 2.128 224 Y HA -0.209 4.342 4.550 0.001 0.000 0.284 224 Y C 2.453 178.452 175.900 0.164 0.000 1.154 224 Y CA 1.401 59.574 58.100 0.121 0.000 1.149 224 Y CB -0.229 38.286 38.460 0.091 0.000 0.976 224 Y HN 0.039 nan 8.280 nan 0.000 0.505 225 R N -0.658 119.855 120.500 0.022 0.000 2.066 225 R HA -0.139 4.201 4.340 0.001 0.000 0.232 225 R C 2.157 178.367 176.300 -0.151 0.000 1.131 225 R CA 1.453 57.503 56.100 -0.085 0.000 0.955 225 R CB -0.705 29.613 30.300 0.029 0.000 0.851 225 R HN 0.360 nan 8.270 nan 0.000 0.432 226 L N 0.444 121.626 121.223 -0.068 0.000 2.017 226 L HA -0.021 4.320 4.340 0.001 0.000 0.208 226 L C 2.163 178.893 176.870 -0.232 0.000 1.073 226 L CA 2.165 56.970 54.840 -0.059 0.000 0.745 226 L CB -1.078 41.014 42.059 0.056 0.000 0.894 226 L HN 0.209 nan 8.230 nan 0.000 0.432 227 G N -1.220 107.433 108.800 -0.245 0.000 2.432 227 G HA2 -0.329 3.632 3.960 0.001 0.000 0.219 227 G HA3 -0.329 3.632 3.960 0.001 0.000 0.219 227 G C 1.754 176.107 174.900 -0.912 0.000 1.135 227 G CA 0.827 45.586 45.100 -0.568 0.000 0.767 227 G HN 0.362 nan 8.290 nan 0.000 0.550 228 R N 0.650 120.727 120.500 -0.705 0.000 2.148 228 R HA 0.133 4.474 4.340 0.001 0.000 0.223 228 R C 2.474 178.498 176.300 -0.459 0.000 1.088 228 R CA 0.760 56.472 56.100 -0.647 0.000 0.985 228 R CB -0.396 29.605 30.300 -0.500 0.000 0.880 228 R HN 0.258 nan 8.270 nan 0.000 0.451 229 R N -0.895 119.342 120.500 -0.438 0.000 2.189 229 R HA -0.055 4.286 4.340 0.001 0.000 0.223 229 R C 0.673 176.582 176.300 -0.651 0.000 1.092 229 R CA 1.103 56.924 56.100 -0.466 0.000 0.989 229 R CB -0.076 29.938 30.300 -0.476 0.000 0.876 229 R HN 0.454 nan 8.270 nan 0.000 0.457 230 H N -0.863 117.895 119.070 -0.520 0.000 2.581 230 H HA 0.299 4.856 4.556 0.002 0.000 0.275 230 H C -0.433 174.661 175.328 -0.390 0.000 1.126 230 H CA -0.112 55.653 56.048 -0.471 0.000 1.097 230 H CB 0.398 29.717 29.762 -0.739 0.000 1.626 230 H HN 0.137 nan 8.280 nan 0.000 0.565 231 N N 0.038 118.536 118.700 -0.336 0.000 2.455 231 N HA 0.201 4.942 4.740 0.001 0.000 0.278 231 N C -0.624 174.784 175.510 -0.170 0.000 1.291 231 N CA -0.497 52.388 53.050 -0.275 0.000 0.780 231 N CB 2.267 40.451 38.487 -0.506 0.000 1.520 231 N HN 0.022 nan 8.380 nan 0.000 0.486 232 T N -1.522 112.984 114.554 -0.079 0.000 3.542 232 T HA 0.422 4.773 4.350 0.001 0.000 0.276 232 T C -2.964 171.746 174.700 0.016 0.000 1.412 232 T CA -1.493 60.590 62.100 -0.028 0.000 1.664 232 T CB 0.430 69.285 68.868 -0.021 0.000 0.863 232 T HN 0.187 nan 8.240 nan 0.000 0.661 233 P HA 0.366 nan 4.420 nan 0.000 0.278 233 P C 1.018 178.344 177.300 0.043 0.000 1.266 233 P CA -0.585 62.564 63.100 0.081 0.000 0.807 233 P CB 1.645 33.442 31.700 0.161 0.000 1.094 234 V N -0.267 119.673 119.914 0.043 0.000 2.591 234 V HA 0.012 4.132 4.120 0.001 0.000 0.249 234 V C 1.172 177.240 176.094 -0.044 0.000 1.053 234 V CA 1.515 63.820 62.300 0.008 0.000 1.068 234 V CB -0.780 31.059 31.823 0.027 0.000 0.689 234 V HN 0.547 nan 8.190 nan 0.000 0.462 235 R N -0.275 120.208 120.500 -0.029 0.000 2.739 235 R HA 0.658 4.999 4.340 0.001 0.000 0.271 235 R C -0.827 175.467 176.300 -0.011 0.000 1.010 235 R CA -0.050 55.967 56.100 -0.138 0.000 0.897 235 R CB 2.089 32.289 30.300 -0.165 0.000 1.236 235 R HN 0.354 nan 8.270 nan 0.000 0.466 236 S N 0.163 115.829 115.700 -0.057 0.000 2.618 236 S HA 0.877 5.348 4.470 0.001 0.000 0.277 236 S C -0.891 173.844 174.600 0.224 0.000 1.138 236 S CA -0.823 57.468 58.200 0.152 0.000 0.844 236 S CB 1.978 65.379 63.200 0.334 0.000 1.127 236 S HN 0.523 nan 8.310 nan 0.000 0.474 237 F N -0.362 119.669 119.950 0.135 0.000 2.686 237 F HA 0.912 5.440 4.527 0.001 0.000 0.311 237 F C -1.980 173.820 175.800 -0.001 0.000 1.128 237 F CA -1.288 56.777 58.000 0.108 0.000 0.946 237 F CB 1.432 40.561 39.000 0.215 0.000 1.336 237 F HN 0.743 nan 8.300 nan 0.000 0.457 238 L N 4.011 125.276 121.223 0.071 0.000 2.562 238 L HA 0.798 5.139 4.340 0.001 0.000 0.266 238 L C -2.083 174.910 176.870 0.205 0.000 0.949 238 L CA -0.566 54.276 54.840 0.003 0.000 0.879 238 L CB 1.930 43.835 42.059 -0.256 0.000 1.278 238 L HN 0.971 nan 8.230 nan 0.000 0.404 239 L N 1.806 123.087 121.223 0.096 0.000 2.465 239 L HA 0.781 5.122 4.340 0.001 0.000 0.257 239 L C -1.181 175.416 176.870 -0.456 0.000 0.988 239 L CA -0.498 54.251 54.840 -0.152 0.000 0.827 239 L CB 2.037 44.132 42.059 0.060 0.000 1.397 239 L HN 0.744 nan 8.230 nan 0.000 0.410 240 Q N 2.193 121.513 119.800 -0.799 0.000 2.414 240 Q HA 0.673 5.014 4.340 0.001 0.000 0.256 240 Q C -2.261 173.481 176.000 -0.430 0.000 0.974 240 Q CA -0.548 54.894 55.803 -0.601 0.000 0.723 240 Q CB 1.869 30.226 28.738 -0.635 0.000 1.281 240 Q HN 0.820 nan 8.270 nan 0.000 0.470 241 L N 3.055 124.135 121.223 -0.239 0.000 2.528 241 L HA 0.575 4.916 4.340 0.001 0.000 0.267 241 L C 0.320 177.160 176.870 -0.050 0.000 0.961 241 L CA 0.912 55.654 54.840 -0.163 0.000 0.866 241 L CB 1.847 43.864 42.059 -0.070 0.000 1.248 241 L HN 0.698 nan 8.230 nan 0.000 0.404 242 G N 3.279 112.037 108.800 -0.070 0.000 2.341 242 G HA2 0.037 3.998 3.960 0.001 0.000 0.292 242 G HA3 0.037 3.998 3.960 0.001 0.000 0.292 242 G C 1.056 175.962 174.900 0.009 0.000 1.021 242 G CA 0.943 46.035 45.100 -0.013 0.000 0.905 242 G HN 2.134 nan 8.290 nan 0.000 0.508 243 G N -1.805 106.979 108.800 -0.027 0.000 2.179 243 G HA2 -0.255 3.706 3.960 0.001 0.000 0.260 243 G HA3 -0.255 3.706 3.960 0.001 0.000 0.260 243 G C 0.356 175.239 174.900 -0.029 0.000 0.977 243 G CA 0.444 45.533 45.100 -0.020 0.000 0.641 243 G HN 1.355 nan 8.290 nan 0.000 0.533 244 I N 0.779 121.323 120.570 -0.045 0.000 2.359 244 I HA 0.510 4.681 4.170 0.001 0.000 0.294 244 I C 0.671 176.656 176.117 -0.220 0.000 0.987 244 I CA -0.809 60.435 61.300 -0.094 0.000 1.225 244 I CB 1.371 39.328 38.000 -0.072 0.000 1.366 244 I HN -0.020 nan 8.210 nan 0.000 0.466 245 R N 4.546 124.829 120.500 -0.362 0.000 2.532 245 R HA 0.879 5.219 4.340 0.001 0.000 0.295 245 R C -0.895 175.043 176.300 -0.605 0.000 0.968 245 R CA -0.641 55.050 56.100 -0.682 0.000 0.916 245 R CB 2.130 31.660 30.300 -1.283 0.000 1.124 245 R HN 0.777 nan 8.270 nan 0.000 0.463 246 A N 2.438 125.048 122.820 -0.351 0.000 2.604 246 A HA 0.673 4.994 4.320 0.001 0.000 0.295 246 A C -1.749 175.905 177.584 0.117 0.000 1.067 246 A CA -0.757 51.289 52.037 0.014 0.000 0.683 246 A CB 1.322 20.432 19.000 0.184 0.000 1.281 246 A HN 0.542 nan 8.150 nan 0.000 0.407 247 L N -1.445 119.721 121.223 -0.096 0.000 2.409 247 L HA 1.098 5.439 4.340 0.001 0.000 0.255 247 L C -0.091 176.114 176.870 -1.107 0.000 1.027 247 L CA -0.064 54.423 54.840 -0.588 0.000 0.834 247 L CB 1.656 43.618 42.059 -0.163 0.000 1.426 247 L HN 1.772 nan 8.230 nan 0.000 0.411 248 G N -0.555 107.287 108.800 -1.596 0.000 2.547 248 G HA2 0.514 4.475 3.960 0.001 0.000 0.291 248 G HA3 0.514 4.475 3.960 0.001 0.000 0.291 248 G C -2.410 171.900 174.900 -0.983 0.000 1.471 248 G CA -0.597 43.807 45.100 -1.161 0.000 0.798 248 G HN 0.539 nan 8.290 nan 0.000 0.504 249 Y N 0.917 121.181 120.300 -0.060 0.000 2.805 249 Y HA 0.591 5.142 4.550 0.002 0.000 0.339 249 Y C 0.831 176.780 175.900 0.081 0.000 1.012 249 Y CA -1.157 56.951 58.100 0.014 0.000 1.262 249 Y CB 1.565 40.014 38.460 -0.019 0.000 1.100 249 Y HN 0.458 nan 8.280 nan 0.000 0.559 250 S N 5.113 120.936 115.700 0.206 0.000 2.488 250 S HA 0.134 4.605 4.470 0.001 0.000 0.278 250 S C -1.326 173.359 174.600 0.141 0.000 1.259 250 S CA -1.106 57.208 58.200 0.190 0.000 1.061 250 S CB 0.763 64.090 63.200 0.212 0.000 0.910 250 S HN 0.448 nan 8.310 nan 0.000 0.491 251 P HA 0.074 nan 4.420 nan 0.000 0.240 251 P C -0.137 177.198 177.300 0.058 0.000 1.190 251 P CA 0.541 63.698 63.100 0.095 0.000 0.781 251 P CB -0.064 31.688 31.700 0.087 0.000 0.931 252 E N -0.721 119.509 120.200 0.049 0.000 2.372 252 E HA 0.373 4.724 4.350 0.001 0.000 0.279 252 E C -1.499 175.131 176.600 0.050 0.000 0.946 252 E CA -0.932 55.489 56.400 0.035 0.000 0.769 252 E CB 0.950 30.651 29.700 0.002 0.000 1.230 252 E HN -0.178 nan 8.360 nan 0.000 0.442 253 L N 4.033 125.286 121.223 0.051 0.000 2.290 253 L HA 0.227 4.568 4.340 0.001 0.000 0.284 253 L C 1.132 178.034 176.870 0.053 0.000 1.078 253 L CA -0.419 54.458 54.840 0.062 0.000 0.815 253 L CB 1.497 43.591 42.059 0.058 0.000 1.162 253 L HN 0.705 nan 8.230 nan 0.000 0.435 254 V N 2.814 122.766 119.914 0.064 0.000 2.407 254 V HA -0.009 4.112 4.120 0.001 0.000 0.245 254 V C 0.672 176.818 176.094 0.087 0.000 1.041 254 V CA 1.538 63.876 62.300 0.063 0.000 1.040 254 V CB 0.397 32.255 31.823 0.059 0.000 0.671 254 V HN 0.909 nan 8.190 nan 0.000 0.455 255 T N 0.441 115.050 114.554 0.091 0.000 3.105 255 T HA 0.733 5.084 4.350 0.001 0.000 0.321 255 T C -0.928 173.800 174.700 0.045 0.000 1.135 255 T CA 0.204 62.346 62.100 0.070 0.000 1.053 255 T CB 1.510 70.426 68.868 0.079 0.000 1.133 255 T HN 0.492 nan 8.240 nan 0.000 0.463 256 A N 2.271 125.111 122.820 0.033 0.000 2.371 256 A HA 0.887 5.208 4.320 0.001 0.000 0.311 256 A C -0.984 176.602 177.584 0.004 0.000 1.068 256 A CA -0.722 51.325 52.037 0.016 0.000 0.744 256 A CB 1.403 20.418 19.000 0.024 0.000 1.239 256 A HN 0.687 nan 8.150 nan 0.000 0.435 257 V N 3.042 122.947 119.914 -0.015 0.000 2.487 257 V HA 0.446 4.567 4.120 0.001 0.000 0.298 257 V C 0.124 176.202 176.094 -0.027 0.000 1.028 257 V CA -0.613 61.675 62.300 -0.021 0.000 0.860 257 V CB 1.539 33.343 31.823 -0.033 0.000 0.991 257 V HN 0.986 nan 8.190 nan 0.000 0.427 258 R N 2.483 122.972 120.500 -0.018 0.000 2.532 258 R HA 0.592 4.933 4.340 0.001 0.000 0.272 258 R C 1.429 177.714 176.300 -0.025 0.000 1.032 258 R CA -0.018 56.070 56.100 -0.020 0.000 1.089 258 R CB 1.212 31.506 30.300 -0.010 0.000 1.098 258 R HN 0.816 nan 8.270 nan 0.000 0.526 259 A N 1.618 124.421 122.820 -0.028 0.000 1.948 259 A HA -0.240 4.080 4.320 0.001 0.000 0.220 259 A C 1.423 178.993 177.584 -0.022 0.000 1.177 259 A CA 2.201 54.220 52.037 -0.029 0.000 0.636 259 A CB -0.571 18.413 19.000 -0.028 0.000 0.815 259 A HN 0.886 nan 8.150 nan 0.000 0.449 260 D N -2.264 118.126 120.400 -0.015 0.000 2.363 260 D HA 0.250 4.891 4.640 0.001 0.000 0.226 260 D C 1.180 177.474 176.300 -0.011 0.000 1.020 260 D CA 1.184 55.178 54.000 -0.011 0.000 0.892 260 D CB -0.528 40.269 40.800 -0.006 0.000 0.900 260 D HN 0.888 nan 8.370 nan 0.000 0.531 261 G N -0.858 107.934 108.800 -0.013 0.000 2.195 261 G HA2 -0.241 3.720 3.960 0.001 0.000 0.224 261 G HA3 -0.241 3.720 3.960 0.001 0.000 0.224 261 G C 0.145 175.041 174.900 -0.007 0.000 0.990 261 G CA 0.030 45.123 45.100 -0.012 0.000 0.639 261 G HN 0.370 nan 8.290 nan 0.000 0.514 262 V N 1.702 121.614 119.914 -0.004 0.000 2.521 262 V HA 0.453 4.574 4.120 0.001 0.000 0.286 262 V C 0.803 176.899 176.094 0.003 0.000 1.034 262 V CA -0.106 62.195 62.300 0.002 0.000 1.045 262 V CB 1.468 33.293 31.823 0.004 0.000 0.974 262 V HN 0.318 nan 8.190 nan 0.000 0.480 263 V N 6.929 126.848 119.914 0.007 0.000 2.581 263 V HA 0.654 4.775 4.120 0.001 0.000 0.303 263 V C -0.171 175.935 176.094 0.020 0.000 1.041 263 V CA -0.536 61.771 62.300 0.012 0.000 0.907 263 V CB 1.629 33.460 31.823 0.013 0.000 0.994 263 V HN 0.841 nan 8.190 nan 0.000 0.442 264 I N 0.956 121.541 120.570 0.025 0.000 2.969 264 I HA 0.947 5.118 4.170 0.001 0.000 0.307 264 I C -0.568 175.573 176.117 0.040 0.000 1.149 264 I CA -0.372 60.948 61.300 0.033 0.000 1.008 264 I CB 2.672 40.691 38.000 0.033 0.000 1.232 264 I HN 0.569 nan 8.210 nan 0.000 0.435 265 T N 1.688 116.268 114.554 0.044 0.000 2.923 265 T HA 0.492 4.843 4.350 0.001 0.000 0.311 265 T C -1.460 173.270 174.700 0.049 0.000 1.183 265 T CA -0.414 61.714 62.100 0.047 0.000 1.020 265 T CB 1.574 70.472 68.868 0.048 0.000 1.165 265 T HN 0.829 nan 8.240 nan 0.000 0.482 266 E N 4.017 124.244 120.200 0.045 0.000 3.108 266 E HA 0.272 4.623 4.350 0.001 0.000 0.228 266 E C -2.630 173.994 176.600 0.040 0.000 1.176 266 E CA -1.898 54.532 56.400 0.051 0.000 0.881 266 E CB 1.382 31.112 29.700 0.049 0.000 1.354 266 E HN 0.402 nan 8.360 nan 0.000 0.400 267 P HA 0.060 nan 4.420 nan 0.000 0.271 267 P C -0.707 176.622 177.300 0.049 0.000 1.226 267 P CA -0.317 62.786 63.100 0.004 0.000 0.765 267 P CB 0.827 32.503 31.700 -0.041 0.000 0.835 268 L N 3.844 125.078 121.223 0.019 0.000 2.313 268 L HA 0.715 5.055 4.340 0.001 0.000 0.283 268 L C 0.245 177.140 176.870 0.042 0.000 1.013 268 L CA -0.248 54.621 54.840 0.048 0.000 0.816 268 L CB 1.388 43.387 42.059 -0.099 0.000 1.236 268 L HN 0.481 nan 8.230 nan 0.000 0.419 269 A N 2.469 125.407 122.820 0.196 0.000 2.456 269 A HA 0.817 5.138 4.320 0.001 0.000 0.288 269 A C -0.240 177.488 177.584 0.241 0.000 1.042 269 A CA -0.000 52.140 52.037 0.173 0.000 0.738 269 A CB 1.376 20.437 19.000 0.102 0.000 1.266 269 A HN 1.183 nan 8.150 nan 0.000 0.407 270 G N 1.277 110.188 108.800 0.185 0.000 3.444 270 G HA2 0.437 4.398 3.960 0.001 0.000 0.685 270 G HA3 0.437 4.398 3.960 0.001 0.000 0.685 270 G C -0.676 174.341 174.900 0.195 0.000 1.145 270 G CA -0.226 44.969 45.100 0.158 0.000 0.973 270 G HN 1.296 nan 8.290 nan 0.000 0.525 271 T N 3.682 118.328 114.554 0.154 0.000 2.881 271 T HA 0.825 5.176 4.350 0.001 0.000 0.290 271 T C -0.015 174.693 174.700 0.013 0.000 1.000 271 T CA -0.856 61.307 62.100 0.107 0.000 0.978 271 T CB 1.769 70.747 68.868 0.183 0.000 0.997 271 T HN 0.670 nan 8.240 nan 0.000 0.443 272 R N 0.926 121.388 120.500 -0.062 0.000 2.867 272 R HA 0.808 5.149 4.340 0.001 0.000 0.268 272 R C -0.322 175.929 176.300 -0.081 0.000 1.014 272 R CA -0.996 55.075 56.100 -0.049 0.000 0.946 272 R CB 1.501 31.779 30.300 -0.037 0.000 1.208 272 R HN 0.757 nan 8.270 nan 0.000 0.477 273 A N 1.216 124.008 122.820 -0.048 0.000 2.466 273 A HA 0.369 4.690 4.320 0.001 0.000 0.238 273 A C -0.434 177.117 177.584 -0.055 0.000 1.074 273 A CA 0.122 52.130 52.037 -0.047 0.000 0.774 273 A CB 0.213 19.198 19.000 -0.025 0.000 1.015 273 A HN 0.473 nan 8.150 nan 0.000 0.498 274 L N 0.413 121.605 121.223 -0.051 0.000 2.376 274 L HA 0.735 5.076 4.340 0.001 0.000 0.258 274 L C 0.704 177.562 176.870 -0.021 0.000 1.013 274 L CA 1.051 55.867 54.840 -0.042 0.000 0.822 274 L CB 2.052 44.077 42.059 -0.057 0.000 1.388 274 L HN 1.691 nan 8.230 nan 0.000 0.413 275 G N 2.043 110.836 108.800 -0.012 0.000 2.134 275 G HA2 -0.214 3.747 3.960 0.001 0.000 0.209 275 G HA3 -0.214 3.747 3.960 0.001 0.000 0.209 275 G C 0.619 175.519 174.900 -0.000 0.000 0.993 275 G CA 0.330 45.432 45.100 0.003 0.000 0.669 275 G HN 0.586 nan 8.290 nan 0.000 0.519 276 R N 0.283 120.779 120.500 -0.007 0.000 2.466 276 R HA 0.481 4.822 4.340 0.001 0.000 0.279 276 R C 1.160 177.456 176.300 -0.006 0.000 0.976 276 R CA 0.504 56.600 56.100 -0.007 0.000 1.081 276 R CB 0.472 30.766 30.300 -0.010 0.000 1.215 276 R HN 1.473 nan 8.270 nan 0.000 0.546 277 G N 1.188 109.985 108.800 -0.004 0.000 2.675 277 G HA2 -0.155 3.806 3.960 0.001 0.000 0.686 277 G HA3 -0.155 3.806 3.960 0.001 0.000 0.686 277 G C -2.383 172.513 174.900 -0.006 0.000 1.215 277 G CA -1.182 43.916 45.100 -0.003 0.000 0.777 277 G HN -0.115 nan 8.290 nan 0.000 0.638 278 P HA -0.047 nan 4.420 nan 0.000 0.215 278 P C 2.248 179.544 177.300 -0.008 0.000 1.153 278 P CA 2.892 65.988 63.100 -0.007 0.000 0.853 278 P CB 0.094 31.790 31.700 -0.006 0.000 0.788 279 A N -0.823 121.993 122.820 -0.006 0.000 1.873 279 A HA -0.139 4.182 4.320 0.001 0.000 0.215 279 A C 2.211 179.791 177.584 -0.007 0.000 1.186 279 A CA 1.358 53.392 52.037 -0.006 0.000 0.616 279 A CB -1.570 17.427 19.000 -0.005 0.000 0.823 279 A HN 0.093 nan 8.150 nan 0.000 0.442 280 I N -0.015 120.551 120.570 -0.007 0.000 2.226 280 I HA -0.225 3.946 4.170 0.001 0.000 0.245 280 I C 1.670 177.781 176.117 -0.011 0.000 1.100 280 I CA 1.421 62.716 61.300 -0.007 0.000 1.374 280 I CB -0.400 37.595 38.000 -0.007 0.000 1.057 280 I HN 0.211 nan 8.210 nan 0.000 0.413 281 D N 0.318 120.711 120.400 -0.012 0.000 2.178 281 D HA -0.175 4.465 4.640 0.001 0.000 0.202 281 D C 2.207 178.496 176.300 -0.018 0.000 0.974 281 D CA 0.884 54.874 54.000 -0.017 0.000 0.841 281 D CB -0.151 40.638 40.800 -0.018 0.000 0.953 281 D HN 0.118 nan 8.370 nan 0.000 0.478 282 R N 0.483 120.975 120.500 -0.014 0.000 2.090 282 R HA 0.062 4.403 4.340 0.001 0.000 0.228 282 R C 2.189 178.481 176.300 -0.012 0.000 1.110 282 R CA 0.719 56.811 56.100 -0.013 0.000 0.973 282 R CB -0.597 29.697 30.300 -0.010 0.000 0.869 282 R HN 0.143 nan 8.270 nan 0.000 0.440 283 L N -0.040 121.177 121.223 -0.010 0.000 2.012 283 L HA -0.146 4.195 4.340 0.001 0.000 0.210 283 L C 2.497 179.361 176.870 -0.010 0.000 1.073 283 L CA 1.532 56.367 54.840 -0.008 0.000 0.748 283 L CB -0.743 41.313 42.059 -0.005 0.000 0.891 283 L HN 0.343 nan 8.230 nan 0.000 0.431 284 A N 0.002 122.814 122.820 -0.013 0.000 1.883 284 A HA -0.265 4.056 4.320 0.001 0.000 0.217 284 A C 2.448 180.019 177.584 -0.022 0.000 1.186 284 A CA 1.912 53.939 52.037 -0.017 0.000 0.624 284 A CB -0.651 18.336 19.000 -0.022 0.000 0.822 284 A HN 0.355 nan 8.150 nan 0.000 0.444 285 R N -0.402 120.083 120.500 -0.025 0.000 2.083 285 R HA -0.195 4.146 4.340 0.001 0.000 0.237 285 R C 1.401 177.686 176.300 -0.025 0.000 1.137 285 R CA 2.063 58.145 56.100 -0.029 0.000 0.951 285 R CB -0.429 29.854 30.300 -0.028 0.000 0.851 285 R HN 0.467 nan 8.270 nan 0.000 0.434 286 D N 0.228 120.617 120.400 -0.018 0.000 2.178 286 D HA -0.150 4.490 4.640 0.001 0.000 0.202 286 D C 1.474 177.767 176.300 -0.012 0.000 0.974 286 D CA 1.206 55.198 54.000 -0.014 0.000 0.841 286 D CB -0.443 40.352 40.800 -0.009 0.000 0.953 286 D HN 0.336 nan 8.370 nan 0.000 0.478 287 D N 0.326 120.720 120.400 -0.010 0.000 2.084 287 D HA -0.144 4.497 4.640 0.001 0.000 0.194 287 D C 2.045 178.340 176.300 -0.007 0.000 0.990 287 D CA 0.499 54.496 54.000 -0.005 0.000 0.826 287 D CB -0.251 40.548 40.800 -0.002 0.000 0.971 287 D HN 0.070 nan 8.370 nan 0.000 0.453 288 L N 1.006 122.221 121.223 -0.014 0.000 2.042 288 L HA -0.103 4.237 4.340 0.001 0.000 0.210 288 L C 2.017 178.869 176.870 -0.030 0.000 1.076 288 L CA 1.860 56.689 54.840 -0.018 0.000 0.749 288 L CB -0.642 41.401 42.059 -0.027 0.000 0.893 288 L HN 0.094 nan 8.230 nan 0.000 0.432 289 E N -1.074 119.103 120.200 -0.038 0.000 2.268 289 E HA -0.119 4.231 4.350 0.001 0.000 0.195 289 E C 1.824 178.406 176.600 -0.031 0.000 0.995 289 E CA 1.134 57.504 56.400 -0.050 0.000 0.836 289 E CB -0.038 29.635 29.700 -0.046 0.000 0.763 289 E HN 0.701 nan 8.360 nan 0.000 0.491 290 S N 0.003 115.694 115.700 -0.015 0.000 2.539 290 S HA 0.044 4.514 4.470 0.001 0.000 0.221 290 S C 0.520 175.124 174.600 0.007 0.000 0.987 290 S CA -0.542 57.657 58.200 -0.002 0.000 0.929 290 S CB 0.092 63.292 63.200 0.000 0.000 0.832 290 S HN 0.006 nan 8.310 nan 0.000 0.492 291 N N 1.932 120.636 118.700 0.007 0.000 2.411 291 N HA 0.236 4.977 4.740 0.001 0.000 0.259 291 N C 0.476 176.002 175.510 0.028 0.000 1.103 291 N CA 0.112 53.172 53.050 0.017 0.000 0.954 291 N CB 1.309 39.807 38.487 0.018 0.000 1.085 291 N HN 0.179 nan 8.380 nan 0.000 0.485 292 S N 3.740 119.459 115.700 0.032 0.000 2.370 292 S HA -0.230 4.241 4.470 0.001 0.000 0.226 292 S C 1.687 176.320 174.600 0.054 0.000 1.033 292 S CA 1.681 59.906 58.200 0.043 0.000 1.011 292 S CB -0.048 63.175 63.200 0.040 0.000 0.852 292 S HN 0.812 nan 8.310 nan 0.000 0.457 293 K N 1.637 122.067 120.400 0.051 0.000 2.057 293 K HA -0.087 4.234 4.320 0.001 0.000 0.207 293 K C 1.662 178.307 176.600 0.075 0.000 1.049 293 K CA 1.567 57.891 56.287 0.062 0.000 0.931 293 K CB -0.257 32.273 32.500 0.051 0.000 0.714 293 K HN 0.128 nan 8.250 nan 0.000 0.440 294 E N 0.844 121.083 120.200 0.065 0.000 2.107 294 E HA -0.067 4.284 4.350 0.001 0.000 0.191 294 E C 2.204 178.859 176.600 0.093 0.000 0.982 294 E CA 1.141 57.587 56.400 0.076 0.000 0.809 294 E CB -0.214 29.517 29.700 0.052 0.000 0.756 294 E HN 0.455 nan 8.360 nan 0.000 0.459 295 I N 0.771 121.383 120.570 0.069 0.000 2.179 295 I HA -0.251 3.920 4.170 0.001 0.000 0.242 295 I C 2.453 178.649 176.117 0.133 0.000 1.088 295 I CA 0.862 62.211 61.300 0.082 0.000 1.357 295 I CB -0.370 37.664 38.000 0.058 0.000 1.051 295 I HN -0.078 nan 8.210 nan 0.000 0.409 296 V N 0.503 120.487 119.914 0.116 0.000 2.343 296 V HA -0.276 3.845 4.120 0.001 0.000 0.247 296 V C 2.516 178.690 176.094 0.134 0.000 1.051 296 V CA 2.046 64.418 62.300 0.121 0.000 1.036 296 V CB -0.596 31.291 31.823 0.107 0.000 0.654 296 V HN 0.387 nan 8.190 nan 0.000 0.451 297 E N -0.327 119.960 120.200 0.145 0.000 2.106 297 E HA -0.212 4.139 4.350 0.001 0.000 0.192 297 E C 2.061 178.729 176.600 0.114 0.000 0.984 297 E CA 1.479 57.969 56.400 0.151 0.000 0.806 297 E CB -0.354 29.435 29.700 0.149 0.000 0.750 297 E HN 0.775 nan 8.360 nan 0.000 0.458 298 H N -0.503 118.605 119.070 0.064 0.000 2.293 298 H HA 0.007 4.564 4.556 0.001 0.000 0.300 298 H C 1.784 177.169 175.328 0.095 0.000 1.082 298 H CA 2.221 58.295 56.048 0.044 0.000 1.308 298 H CB -0.307 29.436 29.762 -0.031 0.000 1.375 298 H HN 0.203 nan 8.280 nan 0.000 0.495 299 A N 0.590 123.532 122.820 0.203 0.000 1.908 299 A HA -0.156 4.165 4.320 0.001 0.000 0.218 299 A C 2.544 180.186 177.584 0.097 0.000 1.181 299 A CA 1.790 53.976 52.037 0.249 0.000 0.627 299 A CB -0.881 18.285 19.000 0.277 0.000 0.818 299 A HN 0.540 nan 8.150 nan 0.000 0.445 300 I N -0.200 120.399 120.570 0.049 0.000 2.286 300 I HA -0.208 3.963 4.170 0.001 0.000 0.248 300 I C 2.533 178.636 176.117 -0.024 0.000 1.115 300 I CA 1.363 62.658 61.300 -0.008 0.000 1.392 300 I CB -0.183 37.789 38.000 -0.047 0.000 1.065 300 I HN 0.250 nan 8.210 nan 0.000 0.418 301 S N 0.233 115.905 115.700 -0.047 0.000 2.371 301 S HA -0.103 4.367 4.470 0.001 0.000 0.224 301 S C 2.081 176.628 174.600 -0.088 0.000 1.029 301 S CA 0.966 59.117 58.200 -0.081 0.000 0.978 301 S CB -0.194 62.929 63.200 -0.129 0.000 0.833 301 S HN 0.216 nan 8.310 nan 0.000 0.466 302 V N 2.017 121.870 119.914 -0.101 0.000 2.358 302 V HA -0.148 3.973 4.120 0.001 0.000 0.246 302 V C 2.486 178.591 176.094 0.018 0.000 1.047 302 V CA 1.775 64.072 62.300 -0.005 0.000 1.035 302 V CB -0.634 31.287 31.823 0.162 0.000 0.658 302 V HN 0.373 nan 8.190 nan 0.000 0.452 303 R N 0.052 120.561 120.500 0.015 0.000 2.091 303 R HA -0.168 4.173 4.340 0.001 0.000 0.238 303 R C 2.505 178.805 176.300 0.001 0.000 1.136 303 R CA 1.965 58.067 56.100 0.003 0.000 0.959 303 R CB -0.293 30.004 30.300 -0.004 0.000 0.856 303 R HN 0.488 nan 8.270 nan 0.000 0.437 304 S N -0.074 115.623 115.700 -0.004 0.000 2.355 304 S HA -0.086 4.385 4.470 0.001 0.000 0.222 304 S C 1.913 176.521 174.600 0.014 0.000 1.031 304 S CA 1.516 59.717 58.200 0.002 0.000 0.993 304 S CB -0.054 63.142 63.200 -0.006 0.000 0.859 304 S HN 0.392 nan 8.310 nan 0.000 0.453 305 S N 1.776 117.481 115.700 0.009 0.000 2.382 305 S HA 0.015 4.486 4.470 0.001 0.000 0.228 305 S C 1.797 176.413 174.600 0.028 0.000 1.027 305 S CA 0.839 59.052 58.200 0.021 0.000 0.991 305 S CB -0.408 62.802 63.200 0.017 0.000 0.823 305 S HN 0.328 nan 8.310 nan 0.000 0.469 306 L N 1.214 122.450 121.223 0.022 0.000 2.046 306 L HA -0.147 4.194 4.340 0.001 0.000 0.208 306 L C 2.586 179.468 176.870 0.021 0.000 1.077 306 L CA 1.306 56.158 54.840 0.020 0.000 0.747 306 L CB -0.486 41.579 42.059 0.010 0.000 0.896 306 L HN 0.335 nan 8.230 nan 0.000 0.432 307 E N -0.181 120.032 120.200 0.021 0.000 2.085 307 E HA -0.261 4.090 4.350 0.001 0.000 0.194 307 E C 2.062 178.685 176.600 0.037 0.000 0.994 307 E CA 1.539 57.954 56.400 0.026 0.000 0.801 307 E CB -0.040 29.676 29.700 0.027 0.000 0.743 307 E HN 0.539 nan 8.360 nan 0.000 0.453 308 E N 0.645 120.873 120.200 0.048 0.000 2.051 308 E HA -0.167 4.184 4.350 0.001 0.000 0.192 308 E C 2.214 178.844 176.600 0.051 0.000 0.991 308 E CA 0.752 57.189 56.400 0.063 0.000 0.799 308 E CB -0.133 29.615 29.700 0.080 0.000 0.748 308 E HN 0.237 nan 8.360 nan 0.000 0.449 309 I N 1.182 121.778 120.570 0.043 0.000 2.361 309 I HA -0.240 3.931 4.170 0.001 0.000 0.251 309 I C 1.888 178.020 176.117 0.026 0.000 1.133 309 I CA 1.075 62.396 61.300 0.036 0.000 1.413 309 I CB 0.011 38.031 38.000 0.033 0.000 1.073 309 I HN 0.114 nan 8.210 nan 0.000 0.424 310 T N 0.360 114.928 114.554 0.023 0.000 2.881 310 T HA -0.180 4.171 4.350 0.001 0.000 0.270 310 T C 1.383 176.091 174.700 0.015 0.000 1.068 310 T CA 1.401 63.510 62.100 0.016 0.000 1.131 310 T CB -0.348 68.528 68.868 0.014 0.000 0.871 310 T HN 0.390 nan 8.240 nan 0.000 0.479 311 D N 1.388 121.800 120.400 0.020 0.000 2.221 311 D HA -0.084 4.557 4.640 0.001 0.000 0.204 311 D C 1.609 177.914 176.300 0.009 0.000 0.982 311 D CA 0.924 54.933 54.000 0.015 0.000 0.857 311 D CB -0.130 40.681 40.800 0.019 0.000 0.934 311 D HN 0.595 nan 8.370 nan 0.000 0.475 312 I N -3.351 117.225 120.570 0.011 0.000 4.081 312 I HA 0.397 4.568 4.170 0.001 0.000 0.333 312 I C 0.367 176.487 176.117 0.004 0.000 1.413 312 I CA -0.853 60.450 61.300 0.006 0.000 1.110 312 I CB 0.239 38.244 38.000 0.009 0.000 1.082 312 I HN -0.223 nan 8.210 nan 0.000 0.402 313 A N 0.749 123.572 122.820 0.006 0.000 2.303 313 A HA 0.506 4.827 4.320 0.001 0.000 0.317 313 A C 0.171 177.756 177.584 0.002 0.000 1.149 313 A CA -0.445 51.595 52.037 0.005 0.000 0.822 313 A CB 0.290 19.294 19.000 0.008 0.000 1.131 313 A HN 0.376 nan 8.150 nan 0.000 0.493 314 E N 1.796 121.996 120.200 0.000 0.000 2.529 314 E HA 0.040 4.391 4.350 0.001 0.000 0.259 314 E C -2.133 174.467 176.600 -0.000 0.000 0.966 314 E CA -0.947 55.453 56.400 -0.001 0.000 0.937 314 E CB 0.008 29.707 29.700 -0.001 0.000 0.923 314 E HN 0.319 nan 8.360 nan 0.000 0.468 315 P HA -0.082 nan 4.420 nan 0.000 0.260 315 P C 0.520 177.820 177.300 -0.001 0.000 1.172 315 P CA 0.926 64.026 63.100 -0.001 0.000 0.760 315 P CB 0.325 32.024 31.700 -0.001 0.000 0.773 316 G N 2.837 111.636 108.800 -0.001 0.000 2.162 316 G HA2 -0.307 3.654 3.960 0.001 0.000 0.260 316 G HA3 -0.307 3.654 3.960 0.001 0.000 0.260 316 G C 0.998 175.897 174.900 -0.000 0.000 0.976 316 G CA 0.541 45.640 45.100 -0.001 0.000 0.655 316 G HN 0.616 nan 8.290 nan 0.000 0.533 317 S N -0.843 114.858 115.700 0.001 0.000 2.501 317 S HA 0.633 5.103 4.470 0.001 0.000 0.220 317 S C 1.378 175.981 174.600 0.005 0.000 0.997 317 S CA 1.206 59.408 58.200 0.003 0.000 0.919 317 S CB 0.387 63.589 63.200 0.003 0.000 0.778 317 S HN 1.866 nan 8.310 nan 0.000 0.523 318 A N 1.434 124.256 122.820 0.005 0.000 2.450 318 A HA 0.738 5.058 4.320 0.001 0.000 0.255 318 A C 0.276 177.862 177.584 0.004 0.000 1.096 318 A CA 0.093 52.134 52.037 0.007 0.000 0.778 318 A CB -0.098 18.907 19.000 0.008 0.000 1.031 318 A HN 1.068 nan 8.150 nan 0.000 0.494 319 A N 2.168 124.993 122.820 0.009 0.000 2.549 319 A HA 0.620 4.940 4.320 0.001 0.000 0.297 319 A C -0.874 176.721 177.584 0.018 0.000 1.061 319 A CA -0.483 51.558 52.037 0.006 0.000 0.690 319 A CB 1.228 20.232 19.000 0.008 0.000 1.287 319 A HN 1.142 nan 8.150 nan 0.000 0.402 320 V N 3.068 122.990 119.914 0.013 0.000 2.385 320 V HA 0.228 4.348 4.120 0.001 0.000 0.269 320 V C 1.185 177.315 176.094 0.060 0.000 1.043 320 V CA 0.369 62.699 62.300 0.049 0.000 0.906 320 V CB 0.484 32.330 31.823 0.039 0.000 0.995 320 V HN 0.841 nan 8.190 nan 0.000 0.467 321 I N 0.007 120.622 120.570 0.075 0.000 3.783 321 I HA 0.469 4.640 4.170 0.001 0.000 0.310 321 I C 0.283 176.453 176.117 0.089 0.000 1.274 321 I CA 0.452 61.793 61.300 0.068 0.000 1.294 321 I CB 0.518 38.549 38.000 0.050 0.000 1.051 321 I HN 0.586 nan 8.210 nan 0.000 0.435 322 D N 0.595 121.072 120.400 0.128 0.000 2.891 322 D HA 0.381 5.021 4.640 0.001 0.000 0.224 322 D C -1.757 174.680 176.300 0.228 0.000 1.321 322 D CA -0.320 53.764 54.000 0.139 0.000 0.929 322 D CB 1.793 42.648 40.800 0.092 0.000 1.551 322 D HN 0.085 nan 8.370 nan 0.000 0.574 323 F N 5.457 125.438 119.950 0.051 0.000 2.460 323 F HA 0.450 4.978 4.527 0.001 0.000 0.341 323 F C 0.177 175.997 175.800 0.034 0.000 1.130 323 F CA -0.835 57.209 58.000 0.073 0.000 0.962 323 F CB 1.159 40.199 39.000 0.065 0.000 1.171 323 F HN 0.553 nan 8.300 nan 0.000 0.436 324 M N 4.660 123.879 119.600 -0.634 0.000 2.298 324 M HA -0.188 4.293 4.480 0.001 0.000 0.196 324 M C -1.162 174.862 176.300 -0.459 0.000 0.531 324 M CA 1.173 55.938 55.300 -0.891 0.000 0.459 324 M CB -1.139 30.653 32.600 -1.347 0.000 1.279 324 M HN 0.744 nan 8.290 nan 0.000 0.915 325 T N -1.896 112.495 114.554 -0.271 0.000 2.888 325 T HA 0.707 5.058 4.350 0.001 0.000 0.284 325 T C 0.192 174.819 174.700 -0.123 0.000 1.017 325 T CA -1.024 60.990 62.100 -0.144 0.000 1.022 325 T CB 2.046 70.879 68.868 -0.059 0.000 1.013 325 T HN 0.165 nan 8.240 nan 0.000 0.465 326 V N 3.945 123.807 119.914 -0.086 0.000 2.521 326 V HA 0.314 4.435 4.120 0.001 0.000 0.286 326 V C 0.470 176.552 176.094 -0.020 0.000 1.034 326 V CA -0.318 61.949 62.300 -0.055 0.000 1.045 326 V CB -0.043 31.749 31.823 -0.051 0.000 0.974 326 V HN 0.767 nan 8.190 nan 0.000 0.480 327 R N 4.197 124.705 120.500 0.013 0.000 2.360 327 R HA 0.445 4.786 4.340 0.001 0.000 0.318 327 R C -0.477 175.848 176.300 0.043 0.000 0.950 327 R CA -0.458 55.668 56.100 0.043 0.000 0.837 327 R CB 1.524 31.873 30.300 0.082 0.000 1.165 327 R HN 0.703 nan 8.270 nan 0.000 0.458 328 E N 2.977 123.187 120.200 0.017 0.000 2.229 328 E HA 0.226 4.577 4.350 0.001 0.000 0.283 328 E C 0.076 176.688 176.600 0.019 0.000 1.030 328 E CA -0.408 55.989 56.400 -0.006 0.000 0.836 328 E CB 1.122 30.814 29.700 -0.015 0.000 1.068 328 E HN 0.064 nan 8.360 nan 0.000 0.401 329 R N 2.491 122.998 120.500 0.012 0.000 2.782 329 R HA 0.235 4.576 4.340 0.001 0.000 0.293 329 R C 0.485 176.799 176.300 0.024 0.000 1.333 329 R CA 0.115 56.248 56.100 0.056 0.000 1.479 329 R CB 0.618 31.022 30.300 0.174 0.000 1.306 329 R HN 0.931 nan 8.270 nan 0.000 0.654 330 G N 1.127 109.925 108.800 -0.004 0.000 3.487 330 G HA2 -0.433 3.528 3.960 0.001 0.000 0.295 330 G HA3 -0.433 3.528 3.960 0.001 0.000 0.295 330 G C 0.849 175.754 174.900 0.010 0.000 1.454 330 G CA 0.682 45.781 45.100 -0.002 0.000 1.039 330 G HN 0.436 nan 8.290 nan 0.000 0.624 331 S N 0.484 116.198 115.700 0.023 0.000 2.527 331 S HA 0.489 4.960 4.470 0.001 0.000 0.222 331 S C 0.858 175.438 174.600 -0.033 0.000 0.985 331 S CA 1.484 59.689 58.200 0.008 0.000 0.921 331 S CB -0.126 63.087 63.200 0.023 0.000 0.772 331 S HN 2.179 nan 8.310 nan 0.000 0.529 332 V N -0.817 119.053 119.914 -0.072 0.000 3.114 332 V HA 0.721 4.841 4.120 0.001 0.000 0.308 332 V C -1.528 174.381 176.094 -0.309 0.000 1.168 332 V CA -1.254 60.931 62.300 -0.191 0.000 1.015 332 V CB 1.752 33.446 31.823 -0.216 0.000 1.050 332 V HN 0.459 nan 8.190 nan 0.000 0.433 333 Q N 1.267 120.830 119.800 -0.396 0.000 2.375 333 Q HA 0.706 5.046 4.340 0.001 0.000 0.271 333 Q C -1.562 174.177 176.000 -0.434 0.000 1.074 333 Q CA -0.859 54.737 55.803 -0.346 0.000 0.808 333 Q CB 2.822 31.472 28.738 -0.147 0.000 1.327 333 Q HN 0.913 nan 8.270 nan 0.000 0.441 334 H N 1.397 120.466 119.070 -0.002 0.000 2.865 334 H HA 0.448 5.005 4.556 0.001 0.000 0.372 334 H C -0.629 174.674 175.328 -0.042 0.000 1.173 334 H CA -0.883 55.166 56.048 0.000 0.000 1.147 334 H CB 1.744 31.523 29.762 0.029 0.000 1.805 334 H HN 0.553 nan 8.280 nan 0.000 0.553 335 L N 1.319 122.578 121.223 0.060 0.000 2.331 335 L HA 0.442 4.783 4.340 0.001 0.000 0.278 335 L C 0.932 177.749 176.870 -0.089 0.000 1.106 335 L CA -0.157 54.577 54.840 -0.177 0.000 0.824 335 L CB 0.862 42.661 42.059 -0.433 0.000 1.142 335 L HN 0.648 nan 8.230 nan 0.000 0.443 336 G N 1.554 110.286 108.800 -0.112 0.000 2.563 336 G HA2 0.689 4.649 3.960 0.001 0.000 0.302 336 G HA3 0.689 4.649 3.960 0.001 0.000 0.302 336 G C -1.298 173.664 174.900 0.104 0.000 1.301 336 G CA -0.306 44.859 45.100 0.107 0.000 0.965 336 G HN 0.502 nan 8.290 nan 0.000 0.480 337 S N -0.945 114.899 115.700 0.241 0.000 2.632 337 S HA 0.825 5.296 4.470 0.001 0.000 0.289 337 S C -0.635 174.054 174.600 0.149 0.000 1.115 337 S CA -0.601 57.733 58.200 0.222 0.000 0.889 337 S CB 2.211 65.630 63.200 0.364 0.000 1.116 337 S HN 0.633 nan 8.310 nan 0.000 0.486 338 T N 1.861 116.498 114.554 0.137 0.000 2.841 338 T HA 0.592 4.943 4.350 0.001 0.000 0.285 338 T C -0.698 174.058 174.700 0.095 0.000 0.991 338 T CA -0.309 61.849 62.100 0.097 0.000 0.966 338 T CB 0.458 69.372 68.868 0.077 0.000 0.962 338 T HN 0.408 nan 8.240 nan 0.000 0.438 339 I N 2.675 123.289 120.570 0.075 0.000 2.474 339 I HA 0.572 4.743 4.170 0.001 0.000 0.294 339 I C 0.152 176.296 176.117 0.046 0.000 1.005 339 I CA -0.908 60.429 61.300 0.061 0.000 1.113 339 I CB 1.954 39.988 38.000 0.057 0.000 1.289 339 I HN 0.285 nan 8.210 nan 0.000 0.436 340 R N 4.263 124.786 120.500 0.037 0.000 2.750 340 R HA 0.912 5.253 4.340 0.001 0.000 0.281 340 R C -1.498 174.815 176.300 0.022 0.000 0.972 340 R CA -0.442 55.676 56.100 0.029 0.000 0.912 340 R CB 2.345 32.661 30.300 0.027 0.000 1.187 340 R HN 0.804 nan 8.270 nan 0.000 0.464 341 A N 2.695 125.526 122.820 0.018 0.000 2.583 341 A HA 0.610 4.930 4.320 0.001 0.000 0.289 341 A C -1.383 176.207 177.584 0.009 0.000 1.151 341 A CA -0.862 51.183 52.037 0.013 0.000 0.695 341 A CB 1.553 20.561 19.000 0.014 0.000 1.290 341 A HN 0.714 nan 8.150 nan 0.000 0.419 342 R N 0.072 120.576 120.500 0.006 0.000 2.338 342 R HA 0.454 4.795 4.340 0.001 0.000 0.317 342 R C -1.067 175.234 176.300 0.001 0.000 0.968 342 R CA -0.786 55.316 56.100 0.002 0.000 0.849 342 R CB 1.538 31.839 30.300 0.001 0.000 1.128 342 R HN 0.572 nan 8.270 nan 0.000 0.448 343 L N 3.013 124.235 121.223 -0.002 0.000 2.534 343 L HA 0.007 4.348 4.340 0.001 0.000 0.271 343 L C -0.105 176.761 176.870 -0.006 0.000 1.178 343 L CA 0.474 55.311 54.840 -0.005 0.000 0.907 343 L CB 0.224 42.277 42.059 -0.010 0.000 1.164 343 L HN 0.503 nan 8.230 nan 0.000 0.482 344 D N 6.692 127.089 120.400 -0.006 0.000 2.443 344 D HA 0.070 4.711 4.640 0.001 0.000 0.239 344 D C -1.417 174.877 176.300 -0.010 0.000 1.136 344 D CA -0.730 53.266 54.000 -0.007 0.000 0.879 344 D CB 1.063 41.859 40.800 -0.006 0.000 1.195 344 D HN 0.462 nan 8.370 nan 0.000 0.443 345 P HA -0.151 nan 4.420 nan 0.000 0.225 345 P C 0.703 177.994 177.300 -0.014 0.000 1.148 345 P CA 0.809 63.902 63.100 -0.013 0.000 0.779 345 P CB 0.053 31.747 31.700 -0.011 0.000 0.780 346 S N -2.618 113.074 115.700 -0.013 0.000 2.558 346 S HA 0.100 4.571 4.470 0.001 0.000 0.217 346 S C 1.164 175.754 174.600 -0.017 0.000 0.975 346 S CA -0.231 57.961 58.200 -0.014 0.000 0.912 346 S CB -0.459 62.733 63.200 -0.012 0.000 0.776 346 S HN 0.076 nan 8.310 nan 0.000 0.526 347 S N 1.071 116.761 115.700 -0.016 0.000 2.748 347 S HA 0.679 5.149 4.470 0.001 0.000 0.299 347 S C -1.256 173.330 174.600 -0.023 0.000 1.119 347 S CA -0.265 57.924 58.200 -0.018 0.000 0.997 347 S CB 1.234 64.426 63.200 -0.013 0.000 1.223 347 S HN 0.720 nan 8.310 nan 0.000 0.541 348 D N -1.522 118.862 120.400 -0.026 0.000 2.692 348 D HA 0.286 4.927 4.640 0.001 0.000 0.303 348 D C 0.490 176.768 176.300 -0.036 0.000 1.278 348 D CA -0.776 53.203 54.000 -0.034 0.000 0.852 348 D CB 0.308 41.083 40.800 -0.042 0.000 1.375 348 D HN 0.500 nan 8.370 nan 0.000 0.453 349 R N -0.623 119.847 120.500 -0.049 0.000 2.115 349 R HA -0.028 4.313 4.340 0.001 0.000 0.230 349 R C 1.310 177.577 176.300 -0.056 0.000 1.111 349 R CA 0.897 56.964 56.100 -0.054 0.000 0.976 349 R CB -0.451 29.805 30.300 -0.075 0.000 0.870 349 R HN 0.291 nan 8.270 nan 0.000 0.445 350 M N 1.220 120.782 119.600 -0.062 0.000 2.175 350 M HA 0.059 4.540 4.480 0.001 0.000 0.264 350 M C 2.457 178.754 176.300 -0.005 0.000 1.063 350 M CA 1.621 56.893 55.300 -0.047 0.000 1.119 350 M CB -0.936 31.631 32.600 -0.055 0.000 1.377 350 M HN 0.406 nan 8.290 nan 0.000 0.415 351 A N 0.181 122.990 122.820 -0.018 0.000 1.933 351 A HA -0.003 4.318 4.320 0.001 0.000 0.218 351 A C 2.427 180.017 177.584 0.010 0.000 1.175 351 A CA 1.994 54.024 52.037 -0.012 0.000 0.628 351 A CB -0.841 18.146 19.000 -0.022 0.000 0.814 351 A HN 0.464 nan 8.150 nan 0.000 0.444 352 A N -0.393 122.432 122.820 0.008 0.000 1.877 352 A HA -0.061 4.260 4.320 0.001 0.000 0.216 352 A C 2.136 179.756 177.584 0.060 0.000 1.186 352 A CA 1.755 53.808 52.037 0.026 0.000 0.620 352 A CB -0.673 18.335 19.000 0.012 0.000 0.822 352 A HN 0.668 nan 8.150 nan 0.000 0.443 353 L N 0.116 121.367 121.223 0.047 0.000 2.012 353 L HA -0.190 4.151 4.340 0.001 0.000 0.210 353 L C 2.245 179.233 176.870 0.197 0.000 1.073 353 L CA 2.528 57.420 54.840 0.086 0.000 0.748 353 L CB -0.689 41.334 42.059 -0.060 0.000 0.891 353 L HN 0.539 nan 8.230 nan 0.000 0.431 354 E N -0.632 119.666 120.200 0.164 0.000 2.085 354 E HA -0.247 4.104 4.350 0.001 0.000 0.194 354 E C 2.146 178.828 176.600 0.138 0.000 0.994 354 E CA 1.166 57.648 56.400 0.137 0.000 0.801 354 E CB -0.328 29.361 29.700 -0.019 0.000 0.743 354 E HN 0.667 nan 8.360 nan 0.000 0.453 355 A N 0.656 123.536 122.820 0.100 0.000 1.972 355 A HA -0.122 4.199 4.320 0.001 0.000 0.219 355 A C 1.962 179.636 177.584 0.150 0.000 1.169 355 A CA 1.065 53.158 52.037 0.093 0.000 0.635 355 A CB -0.249 18.787 19.000 0.060 0.000 0.810 355 A HN 0.153 nan 8.150 nan 0.000 0.446 356 L N -2.194 119.141 121.223 0.187 0.000 2.667 356 L HA 0.334 4.675 4.340 0.001 0.000 0.232 356 L C -0.080 176.928 176.870 0.229 0.000 1.138 356 L CA -0.352 54.596 54.840 0.181 0.000 0.921 356 L CB 0.181 42.329 42.059 0.149 0.000 1.180 356 L HN 0.274 nan 8.230 nan 0.000 0.487 357 F N 0.729 120.752 119.950 0.121 0.000 2.458 357 F HA 0.498 5.026 4.527 0.001 0.000 0.330 357 F C -1.974 173.909 175.800 0.137 0.000 1.082 357 F CA -2.687 55.391 58.000 0.129 0.000 0.995 357 F CB 1.245 40.368 39.000 0.205 0.000 1.170 357 F HN -0.243 nan 8.300 nan 0.000 0.478 358 P HA 0.126 nan 4.420 nan 0.000 0.269 358 P C -1.261 175.867 177.300 -0.287 0.000 1.217 358 P CA -0.353 62.453 63.100 -0.491 0.000 0.783 358 P CB 0.312 31.797 31.700 -0.358 0.000 0.898 359 A N 2.070 124.668 122.820 -0.370 0.000 2.567 359 A HA -0.014 4.307 4.320 0.001 0.000 0.240 359 A C 1.670 179.201 177.584 -0.088 0.000 1.053 359 A CA -0.016 51.917 52.037 -0.173 0.000 0.755 359 A CB -0.527 18.376 19.000 -0.162 0.000 0.978 359 A HN 0.518 nan 8.150 nan 0.000 0.507 360 V N 3.080 122.965 119.914 -0.048 0.000 2.392 360 V HA -0.203 3.918 4.120 0.001 0.000 0.249 360 V C 2.416 178.494 176.094 -0.026 0.000 1.059 360 V CA 3.044 65.325 62.300 -0.032 0.000 1.051 360 V CB -0.739 31.073 31.823 -0.018 0.000 0.658 360 V HN 1.160 nan 8.190 nan 0.000 0.455 361 T N -2.457 112.076 114.554 -0.036 0.000 3.148 361 T HA 0.290 4.641 4.350 0.001 0.000 0.253 361 T C 1.199 175.881 174.700 -0.031 0.000 1.134 361 T CA 0.767 62.849 62.100 -0.029 0.000 1.051 361 T CB 0.177 69.021 68.868 -0.040 0.000 0.959 361 T HN 0.585 nan 8.240 nan 0.000 0.525 362 A N 0.699 123.493 122.820 -0.044 0.000 2.469 362 A HA 0.592 4.913 4.320 0.001 0.000 0.245 362 A C 1.916 179.503 177.584 0.005 0.000 1.221 362 A CA 0.349 52.357 52.037 -0.049 0.000 0.946 362 A CB 0.202 19.130 19.000 -0.121 0.000 1.049 362 A HN 0.560 nan 8.150 nan 0.000 0.529 363 S N -1.630 114.087 115.700 0.028 0.000 3.600 363 S HA 0.711 5.182 4.470 0.001 0.000 0.179 363 S C 0.821 175.426 174.600 0.008 0.000 0.816 363 S CA 0.565 58.808 58.200 0.071 0.000 0.916 363 S CB 0.165 63.421 63.200 0.094 0.000 1.164 363 S HN 1.637 nan 8.310 nan 0.000 0.709 364 G N 0.250 109.039 108.800 -0.018 0.000 2.315 364 G HA2 0.507 4.468 3.960 0.001 0.000 0.294 364 G HA3 0.507 4.468 3.960 0.001 0.000 0.294 364 G C -2.325 172.569 174.900 -0.010 0.000 1.300 364 G CA -0.779 44.310 45.100 -0.018 0.000 0.843 364 G HN 0.582 nan 8.290 nan 0.000 0.527 365 I N 1.214 121.815 120.570 0.053 0.000 2.571 365 I HA 0.344 4.515 4.170 0.001 0.000 0.289 365 I C -2.512 173.696 176.117 0.152 0.000 1.115 365 I CA -2.038 59.308 61.300 0.078 0.000 1.045 365 I CB 3.152 41.219 38.000 0.112 0.000 1.238 365 I HN 0.193 nan 8.210 nan 0.000 0.424 366 P HA 0.112 nan 4.420 nan 0.000 0.270 366 P C 0.376 177.634 177.300 -0.070 0.000 1.223 366 P CA -0.319 62.791 63.100 0.017 0.000 0.785 366 P CB 0.934 32.653 31.700 0.032 0.000 0.923 367 K N 1.480 121.782 120.400 -0.163 0.000 2.032 367 K HA -0.193 4.128 4.320 0.001 0.000 0.209 367 K C 1.908 178.211 176.600 -0.495 0.000 1.048 367 K CA 1.970 58.039 56.287 -0.363 0.000 0.927 367 K CB -0.619 31.565 32.500 -0.527 0.000 0.712 367 K HN 0.479 nan 8.250 nan 0.000 0.441 368 A N 1.116 123.667 122.820 -0.448 0.000 1.883 368 A HA -0.159 4.162 4.320 0.001 0.000 0.217 368 A C 2.297 179.822 177.584 -0.098 0.000 1.186 368 A CA 2.084 53.978 52.037 -0.238 0.000 0.624 368 A CB -0.687 18.338 19.000 0.042 0.000 0.822 368 A HN 0.409 nan 8.150 nan 0.000 0.444 369 A N -0.684 122.098 122.820 -0.064 0.000 1.930 369 A HA 0.196 4.517 4.320 0.001 0.000 0.217 369 A C 2.381 179.825 177.584 -0.233 0.000 1.175 369 A CA 1.770 53.779 52.037 -0.047 0.000 0.627 369 A CB -1.288 17.770 19.000 0.097 0.000 0.815 369 A HN 0.705 nan 8.150 nan 0.000 0.443 370 G N -0.324 108.323 108.800 -0.255 0.000 2.421 370 G HA2 -0.134 3.827 3.960 0.001 0.000 0.216 370 G HA3 -0.134 3.827 3.960 0.001 0.000 0.216 370 G C 1.523 176.338 174.900 -0.143 0.000 1.171 370 G CA 1.284 46.198 45.100 -0.310 0.000 0.775 370 G HN 0.295 nan 8.290 nan 0.000 0.543 371 V N 0.757 120.644 119.914 -0.045 0.000 2.287 371 V HA -0.175 3.946 4.120 0.001 0.000 0.248 371 V C 2.753 179.013 176.094 0.276 0.000 1.053 371 V CA 2.134 64.523 62.300 0.148 0.000 1.027 371 V CB -0.337 31.548 31.823 0.103 0.000 0.646 371 V HN 0.390 nan 8.190 nan 0.000 0.447 372 E N 0.426 120.727 120.200 0.169 0.000 2.085 372 E HA -0.243 4.108 4.350 0.001 0.000 0.194 372 E C 2.272 178.973 176.600 0.169 0.000 0.994 372 E CA 1.697 58.212 56.400 0.192 0.000 0.801 372 E CB -0.211 29.523 29.700 0.056 0.000 0.743 372 E HN 0.534 nan 8.360 nan 0.000 0.453 373 A N 1.067 123.886 122.820 -0.001 0.000 1.902 373 A HA -0.153 4.168 4.320 0.001 0.000 0.217 373 A C 2.379 179.985 177.584 0.038 0.000 1.181 373 A CA 1.346 53.358 52.037 -0.042 0.000 0.623 373 A CB -0.657 18.117 19.000 -0.377 0.000 0.818 373 A HN 0.304 nan 8.150 nan 0.000 0.443 374 I N -1.804 118.789 120.570 0.038 0.000 2.208 374 I HA -0.268 3.903 4.170 0.001 0.000 0.245 374 I C 2.190 178.324 176.117 0.028 0.000 1.097 374 I CA 1.322 62.625 61.300 0.004 0.000 1.363 374 I CB -0.391 37.580 38.000 -0.047 0.000 1.051 374 I HN 0.310 nan 8.210 nan 0.000 0.413 375 F N 0.952 120.944 119.950 0.071 0.000 2.154 375 F HA -0.233 4.295 4.527 0.001 0.000 0.301 375 F C 2.619 178.445 175.800 0.043 0.000 1.087 375 F CA 1.607 59.651 58.000 0.073 0.000 1.274 375 F CB -0.325 38.720 39.000 0.075 0.000 1.009 375 F HN -0.041 nan 8.300 nan 0.000 0.485 376 R N -0.866 119.765 120.500 0.218 0.000 2.156 376 R HA 0.140 4.481 4.340 0.001 0.000 0.207 376 R C 1.605 177.956 176.300 0.085 0.000 1.040 376 R CA 0.742 56.923 56.100 0.135 0.000 1.013 376 R CB -0.104 30.265 30.300 0.115 0.000 0.931 376 R HN 0.298 nan 8.270 nan 0.000 0.465 377 L N -0.175 121.087 121.223 0.067 0.000 2.766 377 L HA 0.231 4.572 4.340 0.001 0.000 0.242 377 L C -0.360 176.526 176.870 0.027 0.000 1.136 377 L CA -0.099 54.766 54.840 0.041 0.000 0.933 377 L CB 0.541 42.624 42.059 0.040 0.000 1.241 377 L HN -0.029 nan 8.230 nan 0.000 0.522 378 D N -0.300 120.106 120.400 0.010 0.000 2.374 378 D HA 0.224 4.865 4.640 0.001 0.000 0.239 378 D C -0.499 175.785 176.300 -0.026 0.000 0.991 378 D CA -0.497 53.497 54.000 -0.010 0.000 0.960 378 D CB 1.360 42.125 40.800 -0.058 0.000 1.284 378 D HN -0.063 nan 8.370 nan 0.000 0.512 379 E N 0.623 120.799 120.200 -0.040 0.000 2.292 379 E HA 0.245 4.596 4.350 0.001 0.000 0.265 379 E C -0.604 175.951 176.600 -0.076 0.000 1.093 379 E CA 0.061 56.427 56.400 -0.057 0.000 0.922 379 E CB 0.340 29.990 29.700 -0.083 0.000 1.001 379 E HN 0.203 nan 8.360 nan 0.000 0.444 380 C N 4.394 123.662 119.300 -0.052 0.000 2.529 380 C HA 0.522 4.983 4.460 0.001 0.000 0.329 380 C C -1.802 173.186 174.990 -0.004 0.000 1.194 380 C CA -1.470 57.517 59.018 -0.052 0.000 1.779 380 C CB 0.770 28.467 27.740 -0.071 0.000 2.322 380 C HN 0.713 nan 8.230 nan 0.000 0.500 381 P HA 0.296 nan 4.420 nan 0.000 0.274 381 P C 0.259 177.570 177.300 0.018 0.000 1.231 381 P CA -0.151 62.974 63.100 0.043 0.000 0.790 381 P CB 0.847 32.620 31.700 0.123 0.000 0.951 382 R N 0.671 121.178 120.500 0.013 0.000 2.115 382 R HA 0.037 4.378 4.340 0.001 0.000 0.226 382 R C 1.526 177.877 176.300 0.085 0.000 1.100 382 R CA 1.107 57.214 56.100 0.011 0.000 0.980 382 R CB -0.700 29.515 30.300 -0.141 0.000 0.875 382 R HN 0.909 nan 8.270 nan 0.000 0.445 383 G N 0.641 109.534 108.800 0.156 0.000 2.556 383 G HA2 -0.377 3.584 3.960 0.001 0.000 0.283 383 G HA3 -0.377 3.584 3.960 0.001 0.000 0.283 383 G C 0.569 175.511 174.900 0.070 0.000 1.177 383 G CA 0.278 45.451 45.100 0.123 0.000 0.978 383 G HN 0.160 nan 8.290 nan 0.000 0.554 384 L N 0.054 121.142 121.223 -0.224 0.000 2.043 384 L HA 0.088 4.428 4.340 0.001 0.000 0.212 384 L C 1.849 178.747 176.870 0.046 0.000 1.075 384 L CA 1.971 56.693 54.840 -0.196 0.000 0.752 384 L CB -0.704 41.125 42.059 -0.383 0.000 0.891 384 L HN 0.528 nan 8.230 nan 0.000 0.432 385 Y N 1.081 121.319 120.300 -0.103 0.000 2.632 385 Y HA 0.101 4.652 4.550 0.002 0.000 0.329 385 Y C 1.388 177.318 175.900 0.050 0.000 1.174 385 Y CA -0.211 57.899 58.100 0.015 0.000 1.469 385 Y CB 0.251 38.682 38.460 -0.048 0.000 1.242 385 Y HN 0.360 nan 8.280 nan 0.000 0.540 386 S N 1.417 116.755 115.700 -0.604 0.000 3.261 386 S HA -0.220 4.251 4.470 0.001 0.000 0.287 386 S C 0.574 175.138 174.600 -0.060 0.000 1.281 386 S CA 0.762 58.705 58.200 -0.429 0.000 1.053 386 S CB -2.288 60.568 63.200 -0.573 0.000 1.251 386 S HN 1.393 nan 8.310 nan 0.000 0.659 387 G N 1.016 109.873 108.800 0.095 0.000 2.714 387 G HA2 0.810 4.771 3.960 0.001 0.000 0.197 387 G HA3 0.810 4.771 3.960 0.001 0.000 0.197 387 G C 0.002 175.043 174.900 0.235 0.000 1.449 387 G CA -0.226 45.050 45.100 0.293 0.000 1.065 387 G HN 1.709 nan 8.290 nan 0.000 0.575 388 A N -1.990 121.025 122.820 0.326 0.000 2.539 388 A HA 0.660 4.981 4.320 0.001 0.000 0.296 388 A C -1.251 176.366 177.584 0.055 0.000 1.073 388 A CA -0.409 51.738 52.037 0.183 0.000 0.700 388 A CB 1.870 21.029 19.000 0.265 0.000 1.296 388 A HN 0.877 nan 8.150 nan 0.000 0.405 389 V N 1.653 121.534 119.914 -0.055 0.000 2.427 389 V HA 0.615 4.736 4.120 0.001 0.000 0.286 389 V C 0.019 175.993 176.094 -0.201 0.000 1.034 389 V CA -0.286 61.914 62.300 -0.166 0.000 0.893 389 V CB 1.244 32.816 31.823 -0.418 0.000 0.982 389 V HN 1.198 nan 8.190 nan 0.000 0.452 390 V N 2.971 122.695 119.914 -0.317 0.000 2.823 390 V HA 0.786 4.907 4.120 0.001 0.000 0.312 390 V C -0.685 175.041 176.094 -0.614 0.000 1.072 390 V CA -0.851 61.202 62.300 -0.412 0.000 0.937 390 V CB 2.027 33.660 31.823 -0.318 0.000 1.013 390 V HN 0.896 nan 8.190 nan 0.000 0.430 391 M N 4.346 123.559 119.600 -0.645 0.000 2.204 391 M HA 0.743 5.224 4.480 0.001 0.000 0.293 391 M C -2.325 173.648 176.300 -0.545 0.000 0.994 391 M CA -0.482 54.369 55.300 -0.748 0.000 0.925 391 M CB 1.657 33.886 32.600 -0.617 0.000 1.577 391 M HN 0.800 nan 8.290 nan 0.000 0.439 392 L N 2.946 123.805 121.223 -0.606 0.000 2.354 392 L HA 0.725 5.066 4.340 0.001 0.000 0.269 392 L C -0.568 176.069 176.870 -0.388 0.000 1.005 392 L CA -0.273 54.322 54.840 -0.409 0.000 0.819 392 L CB 2.579 44.423 42.059 -0.358 0.000 1.311 392 L HN 0.654 nan 8.230 nan 0.000 0.423 393 S N -0.132 115.411 115.700 -0.261 0.000 2.568 393 S HA 0.564 5.035 4.470 0.001 0.000 0.293 393 S C 0.760 175.266 174.600 -0.157 0.000 1.089 393 S CA -0.139 57.935 58.200 -0.210 0.000 0.945 393 S CB 1.870 64.971 63.200 -0.165 0.000 1.077 393 S HN 0.728 nan 8.310 nan 0.000 0.485 394 A N 1.515 124.257 122.820 -0.130 0.000 2.019 394 A HA -0.147 4.174 4.320 0.001 0.000 0.219 394 A C 1.528 179.065 177.584 -0.079 0.000 1.164 394 A CA 1.969 53.947 52.037 -0.098 0.000 0.644 394 A CB -0.697 18.257 19.000 -0.077 0.000 0.805 394 A HN 0.870 nan 8.150 nan 0.000 0.449 395 D N -2.094 118.261 120.400 -0.074 0.000 2.363 395 D HA 0.259 4.900 4.640 0.001 0.000 0.226 395 D C 1.116 177.381 176.300 -0.059 0.000 1.020 395 D CA 0.995 54.961 54.000 -0.057 0.000 0.892 395 D CB -0.556 40.217 40.800 -0.045 0.000 0.900 395 D HN 0.787 nan 8.370 nan 0.000 0.531 396 G N -1.190 107.565 108.800 -0.076 0.000 2.184 396 G HA2 -0.127 3.834 3.960 0.001 0.000 0.206 396 G HA3 -0.127 3.834 3.960 0.001 0.000 0.206 396 G C 0.627 175.477 174.900 -0.083 0.000 0.995 396 G CA -0.127 44.928 45.100 -0.075 0.000 0.651 396 G HN 0.752 nan 8.290 nan 0.000 0.511 397 G N -0.345 108.400 108.800 -0.092 0.000 2.544 397 G HA2 0.614 4.575 3.960 0.001 0.000 0.242 397 G HA3 0.614 4.575 3.960 0.001 0.000 0.242 397 G C -0.478 174.346 174.900 -0.126 0.000 1.247 397 G CA 0.569 45.612 45.100 -0.095 0.000 0.840 397 G HN 1.303 nan 8.290 nan 0.000 0.578 398 L N 0.727 121.885 121.223 -0.109 0.000 2.455 398 L HA 0.625 4.966 4.340 0.001 0.000 0.264 398 L C -1.566 175.251 176.870 -0.089 0.000 0.968 398 L CA -0.873 53.887 54.840 -0.134 0.000 0.827 398 L CB 2.639 44.623 42.059 -0.124 0.000 1.317 398 L HN 0.522 nan 8.230 nan 0.000 0.407 399 D N 3.942 124.281 120.400 -0.102 0.000 2.620 399 D HA 0.676 5.316 4.640 0.001 0.000 0.252 399 D C -1.581 174.707 176.300 -0.020 0.000 1.207 399 D CA -0.179 53.816 54.000 -0.009 0.000 0.884 399 D CB 2.237 43.090 40.800 0.089 0.000 1.262 399 D HN 0.822 nan 8.370 nan 0.000 0.552 400 A N 2.664 125.506 122.820 0.036 0.000 2.363 400 A HA 0.676 4.997 4.320 0.001 0.000 0.296 400 A C -0.416 177.241 177.584 0.122 0.000 1.237 400 A CA -0.577 51.485 52.037 0.043 0.000 0.773 400 A CB 1.182 20.201 19.000 0.031 0.000 1.153 400 A HN 0.528 nan 8.150 nan 0.000 0.473 401 A N 2.284 125.211 122.820 0.178 0.000 2.301 401 A HA 0.604 4.925 4.320 0.001 0.000 0.298 401 A C -0.133 177.531 177.584 0.133 0.000 1.185 401 A CA -0.463 51.684 52.037 0.185 0.000 0.830 401 A CB 0.279 19.447 19.000 0.280 0.000 1.112 401 A HN 1.331 nan 8.150 nan 0.000 0.508 402 L N 2.564 123.844 121.223 0.095 0.000 2.462 402 L HA 0.254 4.595 4.340 0.001 0.000 0.272 402 L C 0.490 177.405 176.870 0.075 0.000 1.166 402 L CA 0.929 55.797 54.840 0.048 0.000 0.880 402 L CB 0.617 42.670 42.059 -0.009 0.000 1.142 402 L HN 0.643 nan 8.230 nan 0.000 0.473 403 T N 7.405 121.993 114.554 0.058 0.000 2.992 403 T HA 0.473 4.824 4.350 0.001 0.000 0.299 403 T C -0.056 174.703 174.700 0.099 0.000 1.027 403 T CA -0.060 62.119 62.100 0.131 0.000 1.001 403 T CB -0.627 68.310 68.868 0.115 0.000 1.005 403 T HN 0.400 nan 8.240 nan 0.000 0.599 404 L N 2.003 123.313 121.223 0.144 0.000 2.359 404 L HA 0.668 5.009 4.340 0.001 0.000 0.256 404 L C -0.012 176.973 176.870 0.191 0.000 1.026 404 L CA -1.652 53.288 54.840 0.167 0.000 0.828 404 L CB 1.444 43.548 42.059 0.074 0.000 1.406 404 L HN 0.256 nan 8.230 nan 0.000 0.413 405 R N -0.874 119.740 120.500 0.190 0.000 3.332 405 R HA -0.127 4.213 4.340 0.001 0.000 0.263 405 R C -0.761 175.543 176.300 0.005 0.000 1.053 405 R CA 0.773 56.950 56.100 0.128 0.000 0.705 405 R CB -2.545 27.858 30.300 0.173 0.000 1.166 405 R HN 0.758 nan 8.270 nan 0.000 0.427 406 A N -0.575 122.202 122.820 -0.071 0.000 2.469 406 A HA 0.944 5.265 4.320 0.001 0.000 0.299 406 A C -0.613 176.575 177.584 -0.660 0.000 1.098 406 A CA 0.003 51.828 52.037 -0.354 0.000 0.737 406 A CB 2.100 20.978 19.000 -0.205 0.000 1.312 406 A HN 0.605 nan 8.150 nan 0.000 0.414 407 A N 0.112 122.449 122.820 -0.806 0.000 2.374 407 A HA 0.851 5.172 4.320 0.001 0.000 0.317 407 A C -1.534 175.544 177.584 -0.843 0.000 1.094 407 A CA -0.406 51.170 52.037 -0.769 0.000 0.765 407 A CB 0.809 19.544 19.000 -0.442 0.000 1.268 407 A HN 0.932 nan 8.150 nan 0.000 0.438 408 Y N -0.316 119.748 120.300 -0.394 0.000 2.524 408 Y HA 0.671 5.222 4.550 0.002 0.000 0.347 408 Y C -0.044 175.632 175.900 -0.374 0.000 1.005 408 Y CA -0.610 57.146 58.100 -0.573 0.000 1.025 408 Y CB 2.243 39.839 38.460 -1.440 0.000 1.275 408 Y HN 0.715 nan 8.280 nan 0.000 0.460 409 Q N 2.120 121.878 119.800 -0.070 0.000 2.292 409 Q HA 0.765 5.106 4.340 0.001 0.000 0.270 409 Q C -2.290 173.758 176.000 0.079 0.000 1.024 409 Q CA -0.697 55.153 55.803 0.079 0.000 0.768 409 Q CB 2.059 30.863 28.738 0.111 0.000 1.250 409 Q HN 0.675 nan 8.270 nan 0.000 0.447 410 V N 2.599 122.688 119.914 0.292 0.000 2.612 410 V HA 0.497 4.618 4.120 0.001 0.000 0.301 410 V C 0.365 176.563 176.094 0.173 0.000 1.059 410 V CA -0.204 62.230 62.300 0.222 0.000 0.886 410 V CB 1.676 33.679 31.823 0.301 0.000 1.007 410 V HN 1.003 nan 8.190 nan 0.000 0.426 411 G N 3.389 112.248 108.800 0.098 0.000 2.306 411 G HA2 0.133 4.094 3.960 0.001 0.000 0.274 411 G HA3 0.133 4.094 3.960 0.001 0.000 0.274 411 G C 1.312 176.256 174.900 0.074 0.000 0.890 411 G CA 1.138 46.279 45.100 0.070 0.000 1.298 411 G HN 2.433 nan 8.290 nan 0.000 0.445 412 G N -0.227 108.624 108.800 0.085 0.000 2.253 412 G HA2 -0.310 3.651 3.960 0.001 0.000 0.251 412 G HA3 -0.310 3.651 3.960 0.001 0.000 0.251 412 G C 0.645 175.608 174.900 0.104 0.000 0.998 412 G CA 1.126 46.275 45.100 0.081 0.000 0.621 412 G HN 1.309 nan 8.290 nan 0.000 0.524 413 R N 1.104 121.691 120.500 0.145 0.000 2.346 413 R HA 0.592 4.933 4.340 0.001 0.000 0.311 413 R C -0.956 175.565 176.300 0.370 0.000 0.983 413 R CA 0.025 56.238 56.100 0.188 0.000 0.880 413 R CB 0.900 31.261 30.300 0.101 0.000 1.100 413 R HN 0.128 nan 8.270 nan 0.000 0.453 414 T N 5.054 119.800 114.554 0.320 0.000 2.807 414 T HA 0.515 4.866 4.350 0.001 0.000 0.279 414 T C -1.207 173.729 174.700 0.394 0.000 0.993 414 T CA -0.526 61.764 62.100 0.316 0.000 0.970 414 T CB 0.700 69.630 68.868 0.103 0.000 0.950 414 T HN 0.697 nan 8.240 nan 0.000 0.441 415 W N 2.578 123.913 121.300 0.059 0.000 3.074 415 W HA 0.777 5.439 4.660 0.003 0.000 0.332 415 W C -2.506 174.060 176.519 0.077 0.000 1.253 415 W CA -1.289 56.077 57.345 0.036 0.000 1.180 415 W CB 0.794 30.273 29.460 0.033 0.000 1.445 415 W HN 0.507 nan 8.180 nan 0.000 0.573 416 L N 2.107 123.410 121.223 0.133 0.000 2.304 416 L HA 0.766 5.107 4.340 0.001 0.000 0.268 416 L C -0.270 176.686 176.870 0.145 0.000 1.010 416 L CA -1.509 53.341 54.840 0.016 0.000 0.813 416 L CB 1.983 44.018 42.059 -0.040 0.000 1.315 416 L HN 0.676 nan 8.230 nan 0.000 0.445 417 R N 0.604 121.133 120.500 0.047 0.000 2.522 417 R HA 0.745 5.086 4.340 0.001 0.000 0.273 417 R C -2.009 174.171 176.300 -0.200 0.000 1.133 417 R CA -0.255 55.760 56.100 -0.141 0.000 0.969 417 R CB 2.030 32.141 30.300 -0.315 0.000 1.235 417 R HN 0.821 nan 8.270 nan 0.000 0.433 418 A N 1.976 124.651 122.820 -0.241 0.000 2.587 418 A HA 0.885 5.206 4.320 0.001 0.000 0.293 418 A C -1.080 176.424 177.584 -0.133 0.000 1.087 418 A CA -0.277 51.706 52.037 -0.091 0.000 0.692 418 A CB 1.984 20.933 19.000 -0.086 0.000 1.291 418 A HN 0.834 nan 8.150 nan 0.000 0.407 419 G N -1.109 107.720 108.800 0.048 0.000 2.921 419 G HA2 0.954 4.915 3.960 0.001 0.000 0.291 419 G HA3 0.954 4.915 3.960 0.001 0.000 0.291 419 G C -0.783 174.195 174.900 0.130 0.000 1.370 419 G CA -0.072 45.085 45.100 0.095 0.000 0.847 419 G HN 2.162 nan 8.290 nan 0.000 0.532 420 A N -1.599 121.350 122.820 0.214 0.000 2.594 420 A HA 0.747 5.068 4.320 0.001 0.000 0.296 420 A C -0.210 177.478 177.584 0.173 0.000 1.061 420 A CA 0.082 52.239 52.037 0.200 0.000 0.689 420 A CB 1.267 20.422 19.000 0.259 0.000 1.280 420 A HN 1.903 nan 8.150 nan 0.000 0.406 421 G N 1.542 110.418 108.800 0.126 0.000 2.351 421 G HA2 0.511 4.472 3.960 0.001 0.000 0.287 421 G HA3 0.511 4.472 3.960 0.001 0.000 0.287 421 G C -0.241 174.708 174.900 0.083 0.000 1.159 421 G CA -0.187 44.971 45.100 0.096 0.000 0.929 421 G HN 0.493 nan 8.290 nan 0.000 0.435 422 I N 4.223 124.835 120.570 0.070 0.000 2.315 422 I HA 0.409 4.580 4.170 0.001 0.000 0.291 422 I C 0.683 176.812 176.117 0.021 0.000 1.006 422 I CA -0.719 60.608 61.300 0.043 0.000 1.265 422 I CB 0.588 38.608 38.000 0.034 0.000 1.387 422 I HN 0.495 nan 8.210 nan 0.000 0.475 423 I N 1.541 122.099 120.570 -0.020 0.000 3.294 423 I HA 0.502 4.673 4.170 0.001 0.000 0.311 423 I C 1.135 177.196 176.117 -0.093 0.000 1.111 423 I CA -0.819 60.421 61.300 -0.100 0.000 0.976 423 I CB 1.737 39.652 38.000 -0.142 0.000 1.260 423 I HN 0.532 nan 8.210 nan 0.000 0.474 424 E N 0.600 120.718 120.200 -0.136 0.000 2.118 424 E HA -0.222 4.129 4.350 0.001 0.000 0.195 424 E C 1.157 177.725 176.600 -0.054 0.000 0.992 424 E CA 2.019 58.362 56.400 -0.094 0.000 0.804 424 E CB 0.171 29.816 29.700 -0.092 0.000 0.741 424 E HN 0.716 nan 8.360 nan 0.000 0.458 425 E N 0.139 120.316 120.200 -0.039 0.000 2.479 425 E HA 0.111 4.462 4.350 0.001 0.000 0.193 425 E C -0.230 176.367 176.600 -0.005 0.000 1.049 425 E CA -0.109 56.282 56.400 -0.015 0.000 0.870 425 E CB 0.738 30.437 29.700 -0.002 0.000 0.944 425 E HN -0.011 nan 8.360 nan 0.000 0.492 426 S N 1.377 117.072 115.700 -0.008 0.000 2.572 426 S HA 0.112 4.583 4.470 0.001 0.000 0.279 426 S C 0.111 174.715 174.600 0.006 0.000 1.341 426 S CA -0.060 58.144 58.200 0.007 0.000 1.043 426 S CB 0.520 63.725 63.200 0.009 0.000 0.887 426 S HN 0.124 nan 8.310 nan 0.000 0.516 427 E N 2.051 122.265 120.200 0.024 0.000 2.176 427 E HA 0.236 4.586 4.350 0.001 0.000 0.267 427 E C -1.983 174.644 176.600 0.045 0.000 0.893 427 E CA -2.138 54.278 56.400 0.025 0.000 0.761 427 E CB 1.458 31.176 29.700 0.031 0.000 1.133 427 E HN 0.215 nan 8.360 nan 0.000 0.409 428 P HA -0.257 nan 4.420 nan 0.000 0.216 428 P C 1.192 178.579 177.300 0.144 0.000 1.154 428 P CA 1.253 64.381 63.100 0.047 0.000 0.865 428 P CB 0.407 32.108 31.700 0.003 0.000 0.789 429 E N -0.465 119.796 120.200 0.102 0.000 2.072 429 E HA -0.202 4.149 4.350 0.001 0.000 0.191 429 E C 2.130 178.840 176.600 0.182 0.000 0.985 429 E CA 1.199 57.675 56.400 0.127 0.000 0.801 429 E CB -0.587 29.146 29.700 0.056 0.000 0.750 429 E HN -0.146 nan 8.360 nan 0.000 0.452 430 R N 0.783 121.365 120.500 0.136 0.000 2.075 430 R HA -0.064 4.277 4.340 0.001 0.000 0.232 430 R C 1.805 178.209 176.300 0.173 0.000 1.126 430 R CA 1.616 57.793 56.100 0.129 0.000 0.963 430 R CB -0.481 29.872 30.300 0.089 0.000 0.858 430 R HN 0.089 nan 8.270 nan 0.000 0.435 431 E N -0.249 120.079 120.200 0.212 0.000 2.106 431 E HA -0.158 4.193 4.350 0.001 0.000 0.192 431 E C 1.770 178.627 176.600 0.428 0.000 0.984 431 E CA 0.979 57.555 56.400 0.294 0.000 0.806 431 E CB -0.519 29.339 29.700 0.264 0.000 0.750 431 E HN 0.367 nan 8.360 nan 0.000 0.458 432 F N 1.995 122.146 119.950 0.336 0.000 2.134 432 F HA -0.216 4.311 4.527 0.001 0.000 0.299 432 F C 2.431 178.267 175.800 0.061 0.000 1.097 432 F CA 1.846 59.977 58.000 0.219 0.000 1.264 432 F CB 0.130 39.255 39.000 0.208 0.000 1.001 432 F HN -0.024 nan 8.300 nan 0.000 0.479 433 E N 0.620 120.977 120.200 0.262 0.000 2.106 433 E HA -0.246 4.105 4.350 0.001 0.000 0.192 433 E C 2.093 178.705 176.600 0.021 0.000 0.984 433 E CA 1.637 58.114 56.400 0.129 0.000 0.806 433 E CB -0.455 29.328 29.700 0.138 0.000 0.750 433 E HN 0.594 nan 8.360 nan 0.000 0.458 434 E N -0.628 119.599 120.200 0.045 0.000 2.085 434 E HA -0.219 4.132 4.350 0.001 0.000 0.194 434 E C 1.849 178.423 176.600 -0.045 0.000 0.994 434 E CA 2.044 58.460 56.400 0.026 0.000 0.801 434 E CB -0.193 29.554 29.700 0.078 0.000 0.743 434 E HN 0.532 nan 8.360 nan 0.000 0.453 435 T N -1.631 112.830 114.554 -0.154 0.000 2.821 435 T HA -0.152 4.199 4.350 0.001 0.000 0.267 435 T C 2.205 176.749 174.700 -0.260 0.000 1.046 435 T CA 1.242 63.176 62.100 -0.276 0.000 1.139 435 T CB -0.842 67.673 68.868 -0.588 0.000 0.871 435 T HN 0.253 nan 8.240 nan 0.000 0.454 436 C N 1.775 120.909 119.300 -0.277 0.000 2.429 436 C HA -0.016 4.445 4.460 0.001 0.000 0.277 436 C C 2.867 177.800 174.990 -0.094 0.000 1.262 436 C CA 0.808 59.715 59.018 -0.183 0.000 1.733 436 C CB -1.182 26.488 27.740 -0.116 0.000 2.010 436 C HN 0.654 nan 8.230 nan 0.000 0.483 437 E N 0.938 121.102 120.200 -0.060 0.000 2.058 437 E HA -0.231 4.120 4.350 0.001 0.000 0.194 437 E C 2.148 178.737 176.600 -0.018 0.000 0.997 437 E CA 1.273 57.655 56.400 -0.031 0.000 0.801 437 E CB -0.169 29.521 29.700 -0.015 0.000 0.746 437 E HN 0.638 nan 8.360 nan 0.000 0.450 438 K N 0.517 120.911 120.400 -0.011 0.000 2.097 438 K HA -0.081 4.240 4.320 0.001 0.000 0.205 438 K C 2.167 178.774 176.600 0.011 0.000 1.050 438 K CA 0.769 57.073 56.287 0.029 0.000 0.938 438 K CB -0.077 32.456 32.500 0.056 0.000 0.718 438 K HN 0.085 nan 8.250 nan 0.000 0.442 439 L N 0.713 121.911 121.223 -0.043 0.000 2.191 439 L HA -0.152 4.189 4.340 0.001 0.000 0.212 439 L C 2.101 178.949 176.870 -0.037 0.000 1.103 439 L CA 0.865 55.673 54.840 -0.052 0.000 0.769 439 L CB -0.241 41.756 42.059 -0.102 0.000 0.908 439 L HN 0.065 nan 8.230 nan 0.000 0.438 440 S N -1.168 114.508 115.700 -0.040 0.000 2.547 440 S HA -0.125 4.346 4.470 0.001 0.000 0.235 440 S C 1.904 176.506 174.600 0.003 0.000 0.980 440 S CA 1.068 59.235 58.200 -0.054 0.000 0.941 440 S CB -0.217 62.951 63.200 -0.054 0.000 0.763 440 S HN 0.432 nan 8.310 nan 0.000 0.532 441 T N 2.009 116.601 114.554 0.063 0.000 2.833 441 T HA 0.050 4.401 4.350 0.001 0.000 0.269 441 T C 1.396 176.240 174.700 0.240 0.000 1.054 441 T CA 0.974 63.161 62.100 0.146 0.000 1.135 441 T CB -0.074 68.885 68.868 0.152 0.000 0.869 441 T HN 0.349 nan 8.240 nan 0.000 0.466 442 L N 0.003 121.313 121.223 0.145 0.000 2.624 442 L HA 0.101 4.442 4.340 0.001 0.000 0.222 442 L C 2.851 179.710 176.870 -0.019 0.000 1.046 442 L CA 0.804 55.736 54.840 0.154 0.000 0.872 442 L CB -0.702 41.395 42.059 0.064 0.000 1.190 442 L HN 0.247 nan 8.230 nan 0.000 0.487 443 T N -1.916 112.574 114.554 -0.107 0.000 2.897 443 T HA -0.045 4.305 4.350 0.001 0.000 0.271 443 T C -0.911 173.624 174.700 -0.275 0.000 1.084 443 T CA 0.655 62.666 62.100 -0.148 0.000 1.123 443 T CB -1.425 67.373 68.868 -0.117 0.000 0.865 443 T HN 0.138 nan 8.240 nan 0.000 0.496 444 P HA 0.152 nan 4.420 nan 0.000 0.249 444 P C -0.322 176.502 177.300 -0.793 0.000 1.229 444 P CA 0.414 63.033 63.100 -0.801 0.000 0.788 444 P CB -0.215 30.781 31.700 -1.173 0.000 1.072 445 Y N -1.338 118.917 120.300 -0.074 0.000 2.719 445 Y HA 0.313 4.864 4.550 0.002 0.000 0.251 445 Y C 0.487 176.370 175.900 -0.029 0.000 1.159 445 Y CA -0.882 57.177 58.100 -0.068 0.000 1.166 445 Y CB -0.367 38.045 38.460 -0.078 0.000 1.219 445 Y HN -0.213 nan 8.280 nan 0.000 0.551 446 L N 1.672 122.932 121.223 0.061 0.000 2.283 446 L HA 0.364 4.705 4.340 0.001 0.000 0.287 446 L C -0.289 176.653 176.870 0.120 0.000 1.073 446 L CA -0.677 54.214 54.840 0.085 0.000 0.822 446 L CB 0.715 42.851 42.059 0.128 0.000 1.186 446 L HN -0.132 nan 8.230 nan 0.000 0.436 447 V N 3.604 123.568 119.914 0.084 0.000 2.385 447 V HA 0.338 4.459 4.120 0.001 0.000 0.269 447 V C 0.847 177.008 176.094 0.110 0.000 1.043 447 V CA -0.630 61.712 62.300 0.070 0.000 0.906 447 V CB 1.167 33.019 31.823 0.049 0.000 0.995 447 V HN 0.866 nan 8.190 nan 0.000 0.467 448 A N 6.318 129.189 122.820 0.084 0.000 2.511 448 A HA 0.682 5.003 4.320 0.001 0.000 0.242 448 A C 0.426 178.067 177.584 0.094 0.000 1.069 448 A CA 0.376 52.480 52.037 0.112 0.000 0.763 448 A CB 0.129 19.049 19.000 -0.134 0.000 1.001 448 A HN 0.984 nan 8.150 nan 0.000 0.498 449 R N 0.000 120.585 120.500 0.142 0.000 2.786 449 R HA 0.000 4.341 4.340 0.001 0.000 0.208 449 R CA 0.000 56.167 56.100 0.112 0.000 0.921 449 R CB 0.000 30.343 30.300 0.071 0.000 0.687 449 R HN 0.000 nan 8.270 nan 0.000 0.535