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 3ofn_1_W DATA FIRST_RESID 8 DATA SEQUENCE PITGKVTAVI GAIVDVHFEQ SELPAILNAL EIKTPQGKLV LEVAQHLGEN DATA SEQUENCE TVRTIAMDGT EGLVRGEKVL DTGGPISVPV GRETLGRIIN VIGEPIDERG DATA SEQUENCE PIKSKLRKPI HADPPSFAEQ STSAEILETG IKVVDLLAPY ARGGKIGLFG DATA SEQUENCE GAGVGKTVFI QELINNIAKA HGGFSVFTGV GERTREGNDL YREMKETGVI DATA SEQUENCE NLEGESKVAL VFGQMNEPPG ARARVALTGL TIAEYFRDEE GQDVLLFIDN DATA SEQUENCE IFRFTQAGSE VSALLGRIPS AVGYQPTLAT DMGLLQERIT TTKKGSVTSV DATA SEQUENCE QAVYVPADDL TDPAPATTFA HLDATTVLSR GISELGIYPA VDPLDSKSRL DATA SEQUENCE LDAAVVGQEH YDVASKVQET LQTYKSLQDI IAILGMDELS EQDKLTVERA DATA SEQUENCE RKIQRFLSQP FAVAEVFTGI PGKLVRLKDT VASFKAVLEG KYDNIPEHAF DATA SEQUENCE YMVGGIEDVV AKAEKLAA 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.329 177.300 0.048 0.000 1.155 8 P CA 0.000 63.120 63.100 0.033 0.000 0.800 8 P CB 0.000 31.716 31.700 0.027 0.000 0.726 9 I N 1.201 121.813 120.570 0.070 0.000 2.441 9 I HA 0.573 4.743 4.170 0.000 0.000 0.295 9 I C -0.272 175.945 176.117 0.167 0.000 0.994 9 I CA -0.150 61.219 61.300 0.115 0.000 1.144 9 I CB 2.259 40.326 38.000 0.112 0.000 1.314 9 I HN 0.300 nan 8.210 nan 0.000 0.445 10 T N 3.835 118.480 114.554 0.152 0.000 2.876 10 T HA 0.659 5.009 4.350 0.000 0.000 0.289 10 T C -0.110 174.490 174.700 -0.166 0.000 1.014 10 T CA -0.679 61.444 62.100 0.039 0.000 0.986 10 T CB 1.903 70.769 68.868 -0.003 0.000 1.021 10 T HN 0.772 nan 8.240 nan 0.000 0.458 11 G N 0.631 109.150 108.800 -0.470 0.000 2.537 11 G HA2 0.756 4.716 3.960 0.000 0.000 0.308 11 G HA3 0.756 4.716 3.960 0.000 0.000 0.308 11 G C -1.162 173.487 174.900 -0.418 0.000 1.237 11 G CA -0.832 43.720 45.100 -0.912 0.000 0.968 11 G HN 0.866 nan 8.290 nan 0.000 0.481 12 K N -0.024 120.187 120.400 -0.314 0.000 2.221 12 K HA 0.719 5.039 4.320 0.000 0.000 0.258 12 K C -0.139 176.383 176.600 -0.130 0.000 0.944 12 K CA -0.697 55.493 56.287 -0.162 0.000 0.823 12 K CB 1.595 34.031 32.500 -0.106 0.000 1.113 12 K HN 0.846 nan 8.250 nan 0.000 0.431 13 V N 2.941 122.801 119.914 -0.090 0.000 2.529 13 V HA 0.093 4.213 4.120 0.000 0.000 0.292 13 V C 1.621 177.690 176.094 -0.042 0.000 1.028 13 V CA 0.859 63.126 62.300 -0.054 0.000 1.074 13 V CB 0.478 32.278 31.823 -0.038 0.000 0.958 13 V HN 1.087 nan 8.190 nan 0.000 0.481 14 T N 0.961 115.503 114.554 -0.021 0.000 3.000 14 T HA 0.557 4.907 4.350 0.000 0.000 0.248 14 T C 0.444 175.138 174.700 -0.010 0.000 1.034 14 T CA 0.497 62.586 62.100 -0.018 0.000 1.060 14 T CB 0.546 69.417 68.868 0.004 0.000 0.983 14 T HN 1.019 nan 8.240 nan 0.000 0.482 15 A N 0.615 123.434 122.820 -0.002 0.000 2.547 15 A HA 0.694 5.014 4.320 0.000 0.000 0.297 15 A C -1.509 176.076 177.584 0.002 0.000 1.056 15 A CA -0.698 51.339 52.037 0.001 0.000 0.688 15 A CB 1.937 20.941 19.000 0.008 0.000 1.282 15 A HN 0.267 nan 8.150 nan 0.000 0.400 16 V N 3.218 123.132 119.914 0.000 0.000 2.380 16 V HA 0.442 4.562 4.120 0.000 0.000 0.286 16 V C -0.749 175.347 176.094 0.002 0.000 1.015 16 V CA -0.045 62.256 62.300 0.002 0.000 0.834 16 V CB 0.982 32.805 31.823 -0.001 0.000 1.009 16 V HN 0.693 nan 8.190 nan 0.000 0.428 17 I N 4.323 124.896 120.570 0.005 0.000 2.466 17 I HA 0.623 4.793 4.170 0.000 0.000 0.279 17 I C 1.173 177.293 176.117 0.005 0.000 1.033 17 I CA -0.258 61.045 61.300 0.004 0.000 1.123 17 I CB 1.205 39.208 38.000 0.005 0.000 1.237 17 I HN 0.774 nan 8.210 nan 0.000 0.460 18 G N 4.915 113.717 108.800 0.003 0.000 2.651 18 G HA2 -0.398 3.562 3.960 0.000 0.000 0.315 18 G HA3 -0.398 3.562 3.960 0.000 0.000 0.315 18 G C 0.960 175.863 174.900 0.006 0.000 1.258 18 G CA 0.688 45.791 45.100 0.004 0.000 1.002 18 G HN 0.836 nan 8.290 nan 0.000 0.551 19 A N -0.540 122.283 122.820 0.006 0.000 2.209 19 A HA 0.430 4.750 4.320 0.000 0.000 0.212 19 A C 1.117 178.707 177.584 0.011 0.000 1.158 19 A CA 1.173 53.215 52.037 0.008 0.000 0.742 19 A CB -0.221 18.783 19.000 0.007 0.000 0.790 19 A HN 0.631 nan 8.150 nan 0.000 0.472 20 I N 0.952 121.529 120.570 0.011 0.000 2.342 20 I HA 0.347 4.517 4.170 0.000 0.000 0.291 20 I C -0.607 175.519 176.117 0.015 0.000 1.010 20 I CA -0.557 60.752 61.300 0.014 0.000 1.308 20 I CB 0.864 38.871 38.000 0.012 0.000 1.400 20 I HN -0.138 nan 8.210 nan 0.000 0.488 21 V N 5.754 125.681 119.914 0.020 0.000 2.569 21 V HA 0.313 4.433 4.120 0.000 0.000 0.301 21 V C -0.747 175.365 176.094 0.029 0.000 1.044 21 V CA -0.818 61.494 62.300 0.020 0.000 0.874 21 V CB 2.198 34.033 31.823 0.019 0.000 1.002 21 V HN 0.608 nan 8.190 nan 0.000 0.424 22 D N 3.073 123.488 120.400 0.027 0.000 2.210 22 D HA 0.640 5.280 4.640 0.000 0.000 0.249 22 D C -0.591 175.730 176.300 0.035 0.000 1.078 22 D CA -0.056 53.967 54.000 0.038 0.000 0.875 22 D CB 2.108 42.930 40.800 0.036 0.000 1.175 22 D HN 0.297 nan 8.370 nan 0.000 0.440 23 V N 2.613 122.563 119.914 0.061 0.000 2.482 23 V HA 0.154 4.274 4.120 0.000 0.000 0.295 23 V C -0.428 175.678 176.094 0.021 0.000 1.026 23 V CA -0.879 61.427 62.300 0.010 0.000 0.856 23 V CB 1.612 33.447 31.823 0.021 0.000 1.001 23 V HN 0.605 nan 8.190 nan 0.000 0.424 24 H N 4.298 123.263 119.070 -0.176 0.000 2.525 24 H HA 0.593 5.149 4.556 0.000 0.000 0.339 24 H C -1.564 173.558 175.328 -0.343 0.000 1.109 24 H CA 0.142 56.117 56.048 -0.123 0.000 1.352 24 H CB 1.205 30.909 29.762 -0.097 0.000 1.461 24 H HN 0.478 nan 8.280 nan 0.000 0.533 25 F N 1.029 120.693 119.950 -0.475 0.000 2.691 25 F HA 0.222 4.749 4.527 0.000 0.000 0.334 25 F C 0.358 175.980 175.800 -0.297 0.000 1.107 25 F CA -0.951 56.892 58.000 -0.262 0.000 0.991 25 F CB 1.028 39.907 39.000 -0.201 0.000 1.400 25 F HN 0.438 nan 8.300 nan 0.000 0.503 26 E N 0.398 120.662 120.200 0.106 0.000 2.314 26 E HA 0.107 4.457 4.350 0.000 0.000 0.262 26 E C -0.609 176.003 176.600 0.020 0.000 1.093 26 E CA -0.575 55.855 56.400 0.050 0.000 0.908 26 E CB 0.801 30.541 29.700 0.067 0.000 1.091 26 E HN 0.425 nan 8.360 nan 0.000 0.425 27 Q N 1.020 120.826 119.800 0.010 0.000 2.263 27 Q HA -0.052 4.288 4.340 0.000 0.000 0.289 27 Q C -0.377 175.619 176.000 -0.006 0.000 1.061 27 Q CA 0.683 56.483 55.803 -0.003 0.000 0.927 27 Q CB 0.129 28.871 28.738 0.007 0.000 1.154 27 Q HN 0.733 nan 8.270 nan 0.000 0.378 28 S N 2.515 118.203 115.700 -0.020 0.000 3.550 28 S HA -0.222 4.248 4.470 0.000 0.000 0.372 28 S C 0.189 174.771 174.600 -0.030 0.000 0.966 28 S CA 1.543 59.728 58.200 -0.025 0.000 1.229 28 S CB -1.002 62.192 63.200 -0.011 0.000 0.917 28 S HN 0.896 nan 8.310 nan 0.000 0.496 29 E N -0.623 119.548 120.200 -0.049 0.000 2.676 29 E HA 0.322 4.672 4.350 0.000 0.000 0.222 29 E C 0.106 176.591 176.600 -0.190 0.000 0.968 29 E CA -0.399 55.974 56.400 -0.044 0.000 1.090 29 E CB 0.341 30.071 29.700 0.049 0.000 1.066 29 E HN 0.785 nan 8.360 nan 0.000 0.496 30 L N 3.533 124.594 121.223 -0.271 0.000 2.416 30 L HA 0.214 4.554 4.340 0.000 0.000 0.272 30 L C -1.956 174.638 176.870 -0.459 0.000 1.161 30 L CA -1.534 52.975 54.840 -0.551 0.000 0.845 30 L CB 0.253 42.060 42.059 -0.420 0.000 1.119 30 L HN 0.005 nan 8.230 nan 0.000 0.464 31 P HA 0.173 nan 4.420 nan 0.000 0.281 31 P C -0.658 176.618 177.300 -0.040 0.000 1.252 31 P CA -0.464 62.445 63.100 -0.318 0.000 0.778 31 P CB 1.149 32.635 31.700 -0.356 0.000 0.895 32 A N 4.590 127.411 122.820 0.002 0.000 2.507 32 A HA 0.153 4.473 4.320 0.000 0.000 0.235 32 A C 0.741 178.341 177.584 0.025 0.000 1.070 32 A CA -0.368 51.682 52.037 0.022 0.000 0.768 32 A CB -0.493 18.479 19.000 -0.045 0.000 1.011 32 A HN 0.565 nan 8.150 nan 0.000 0.502 33 I N 0.891 121.432 120.570 -0.049 0.000 2.815 33 I HA -0.062 4.108 4.170 0.000 0.000 0.291 33 I C 0.841 176.901 176.117 -0.096 0.000 1.209 33 I CA 0.748 62.014 61.300 -0.057 0.000 1.431 33 I CB 0.128 38.062 38.000 -0.111 0.000 1.351 33 I HN 0.751 nan 8.210 nan 0.000 0.585 34 L N 1.776 122.927 121.223 -0.120 0.000 4.800 34 L HA -0.251 4.089 4.340 0.000 0.000 0.400 34 L C 0.176 176.980 176.870 -0.111 0.000 0.857 34 L CA 0.113 54.821 54.840 -0.220 0.000 1.908 34 L CB -1.527 40.298 42.059 -0.390 0.000 1.598 34 L HN 0.701 nan 8.230 nan 0.000 0.593 35 N N 1.432 120.102 118.700 -0.050 0.000 2.454 35 N HA 0.420 5.160 4.740 0.000 0.000 0.260 35 N C 0.298 175.815 175.510 0.012 0.000 1.218 35 N CA 0.998 54.040 53.050 -0.013 0.000 0.904 35 N CB 0.947 39.422 38.487 -0.020 0.000 1.065 35 N HN 0.307 nan 8.380 nan 0.000 0.462 36 A N 3.435 126.273 122.820 0.031 0.000 2.309 36 A HA 0.507 4.827 4.320 0.000 0.000 0.290 36 A C -0.207 177.405 177.584 0.047 0.000 1.206 36 A CA -0.441 51.623 52.037 0.043 0.000 0.850 36 A CB -0.100 18.929 19.000 0.048 0.000 1.118 36 A HN 0.646 nan 8.150 nan 0.000 0.523 37 L N 1.896 123.154 121.223 0.058 0.000 2.330 37 L HA 0.606 4.946 4.340 0.000 0.000 0.271 37 L C 0.150 177.053 176.870 0.055 0.000 1.013 37 L CA -0.584 54.300 54.840 0.074 0.000 0.816 37 L CB 1.750 43.880 42.059 0.118 0.000 1.287 37 L HN 0.677 nan 8.230 nan 0.000 0.435 38 E N 1.899 122.129 120.200 0.050 0.000 2.212 38 E HA 0.658 5.008 4.350 0.000 0.000 0.268 38 E C -1.288 175.327 176.600 0.024 0.000 0.902 38 E CA -0.644 55.775 56.400 0.032 0.000 0.779 38 E CB 3.150 32.866 29.700 0.027 0.000 1.172 38 E HN 0.389 nan 8.360 nan 0.000 0.409 39 I N 1.941 122.520 120.570 0.016 0.000 2.533 39 I HA 0.285 4.455 4.170 0.000 0.000 0.290 39 I C 0.062 176.182 176.117 0.005 0.000 1.056 39 I CA -0.681 60.623 61.300 0.006 0.000 1.057 39 I CB 1.754 39.755 38.000 0.003 0.000 1.240 39 I HN 0.424 nan 8.210 nan 0.000 0.423 40 K N 3.442 123.843 120.400 0.002 0.000 2.322 40 K HA 0.624 4.944 4.320 0.000 0.000 0.283 40 K C -0.050 176.549 176.600 -0.001 0.000 1.042 40 K CA -0.362 55.926 56.287 0.001 0.000 0.958 40 K CB 0.355 32.855 32.500 -0.000 0.000 0.984 40 K HN 0.716 nan 8.250 nan 0.000 0.473 41 T N -0.389 114.165 114.554 0.000 0.000 2.916 41 T HA 0.608 4.958 4.350 0.000 0.000 0.292 41 T C -1.746 172.953 174.700 -0.001 0.000 1.055 41 T CA -1.438 60.661 62.100 -0.001 0.000 1.009 41 T CB 1.850 70.718 68.868 0.000 0.000 1.118 41 T HN 0.346 nan 8.240 nan 0.000 0.497 42 P HA -0.262 nan 4.420 nan 0.000 0.216 42 P C 1.628 178.927 177.300 -0.001 0.000 1.153 42 P CA 1.263 64.362 63.100 -0.002 0.000 0.858 42 P CB 0.108 31.807 31.700 -0.002 0.000 0.789 43 Q N 0.372 120.172 119.800 -0.001 0.000 2.014 43 Q HA -0.113 4.227 4.340 0.000 0.000 0.207 43 Q C 1.259 177.259 176.000 -0.001 0.000 0.993 43 Q CA 2.507 58.310 55.803 -0.001 0.000 0.850 43 Q CB -0.408 28.330 28.738 0.000 0.000 0.916 43 Q HN 0.285 nan 8.270 nan 0.000 0.417 44 G N 0.343 109.143 108.800 0.000 0.000 2.401 44 G HA2 0.080 4.040 3.960 0.000 0.000 0.068 44 G HA3 0.080 4.040 3.960 0.000 0.000 0.068 44 G C -1.280 173.621 174.900 0.002 0.000 0.911 44 G CA -0.083 45.017 45.100 0.001 0.000 1.242 44 G HN 0.417 nan 8.290 nan 0.000 0.504 45 K N -0.292 120.111 120.400 0.004 0.000 2.385 45 K HA 0.823 5.143 4.320 0.000 0.000 0.248 45 K C -1.550 175.055 176.600 0.008 0.000 0.955 45 K CA -0.934 55.357 56.287 0.006 0.000 0.816 45 K CB 2.905 35.409 32.500 0.008 0.000 1.250 45 K HN 0.764 nan 8.250 nan 0.000 0.434 46 L N 1.993 123.222 121.223 0.010 0.000 2.294 46 L HA 0.378 4.718 4.340 0.000 0.000 0.283 46 L C -1.501 175.379 176.870 0.018 0.000 1.015 46 L CA -0.486 54.361 54.840 0.012 0.000 0.831 46 L CB 1.733 43.798 42.059 0.010 0.000 1.217 46 L HN 0.545 nan 8.230 nan 0.000 0.420 47 V N 6.575 126.502 119.914 0.021 0.000 2.383 47 V HA 0.419 4.539 4.120 0.000 0.000 0.275 47 V C 0.295 176.409 176.094 0.032 0.000 1.036 47 V CA -0.423 61.894 62.300 0.028 0.000 0.889 47 V CB 1.030 32.869 31.823 0.027 0.000 0.985 47 V HN 0.662 nan 8.190 nan 0.000 0.459 48 L N 3.965 125.212 121.223 0.038 0.000 2.331 48 L HA 0.655 4.995 4.340 0.000 0.000 0.275 48 L C 0.061 176.959 176.870 0.047 0.000 1.022 48 L CA -0.490 54.375 54.840 0.042 0.000 0.812 48 L CB 1.773 43.859 42.059 0.045 0.000 1.257 48 L HN 0.593 nan 8.230 nan 0.000 0.435 49 E N 1.013 121.239 120.200 0.043 0.000 2.158 49 E HA 0.343 4.693 4.350 0.000 0.000 0.271 49 E C -1.242 175.375 176.600 0.027 0.000 0.911 49 E CA -0.806 55.616 56.400 0.037 0.000 0.767 49 E CB 2.077 31.803 29.700 0.043 0.000 1.120 49 E HN 0.325 nan 8.360 nan 0.000 0.405 50 V N 4.518 124.444 119.914 0.020 0.000 2.425 50 V HA 0.045 4.165 4.120 0.000 0.000 0.276 50 V C 0.952 177.055 176.094 0.014 0.000 1.017 50 V CA 0.724 63.041 62.300 0.029 0.000 1.062 50 V CB 0.426 32.268 31.823 0.032 0.000 0.997 50 V HN 0.870 nan 8.190 nan 0.000 0.476 51 A N 4.754 127.592 122.820 0.029 0.000 1.901 51 A HA 0.221 4.541 4.320 0.000 0.000 0.210 51 A C 0.784 178.387 177.584 0.032 0.000 1.208 51 A CA 0.486 52.533 52.037 0.016 0.000 0.644 51 A CB 0.230 19.240 19.000 0.017 0.000 0.863 51 A HN 0.773 nan 8.150 nan 0.000 0.454 52 Q N -0.764 119.080 119.800 0.073 0.000 2.340 52 Q HA 0.340 4.680 4.340 0.000 0.000 0.276 52 Q C -1.695 174.420 176.000 0.192 0.000 1.048 52 Q CA -0.491 55.371 55.803 0.098 0.000 0.832 52 Q CB 1.674 30.447 28.738 0.057 0.000 1.373 52 Q HN 0.609 nan 8.270 nan 0.000 0.409 53 H N 2.674 121.731 119.070 -0.022 0.000 2.782 53 H HA 0.175 4.731 4.556 0.000 0.000 0.285 53 H C 0.507 175.832 175.328 -0.006 0.000 1.093 53 H CA -0.115 55.921 56.048 -0.020 0.000 1.410 53 H CB 0.978 30.718 29.762 -0.037 0.000 1.439 53 H HN 0.474 nan 8.280 nan 0.000 0.469 54 L N 2.959 124.233 121.223 0.084 0.000 2.592 54 L HA 0.183 4.523 4.340 0.000 0.000 0.227 54 L C 1.245 178.143 176.870 0.047 0.000 1.127 54 L CA 0.263 55.138 54.840 0.058 0.000 0.884 54 L CB 0.050 42.136 42.059 0.044 0.000 1.065 54 L HN 0.885 nan 8.230 nan 0.000 0.457 55 G N 0.304 109.131 108.800 0.045 0.000 2.710 55 G HA2 -0.170 3.790 3.960 0.000 0.000 0.668 55 G HA3 -0.170 3.790 3.960 0.000 0.000 0.668 55 G C 0.006 174.921 174.900 0.025 0.000 1.320 55 G CA -0.475 44.644 45.100 0.033 0.000 0.860 55 G HN 0.253 nan 8.290 nan 0.000 0.538 56 E N -0.628 119.589 120.200 0.029 0.000 2.586 56 E HA -0.312 4.038 4.350 0.000 0.000 0.259 56 E C 0.789 177.390 176.600 0.001 0.000 1.107 56 E CA 1.269 57.697 56.400 0.048 0.000 0.754 56 E CB -1.926 27.826 29.700 0.086 0.000 1.335 56 E HN 1.664 nan 8.360 nan 0.000 0.411 57 N N -1.234 117.431 118.700 -0.057 0.000 2.696 57 N HA -0.190 4.550 4.740 0.000 0.000 0.249 57 N C -0.783 174.630 175.510 -0.161 0.000 1.090 57 N CA 1.872 54.833 53.050 -0.147 0.000 0.716 57 N CB -1.168 37.194 38.487 -0.209 0.000 1.020 57 N HN 0.321 nan 8.380 nan 0.000 0.548 58 T N -0.223 114.298 114.554 -0.055 0.000 2.792 58 T HA 0.617 4.967 4.350 0.000 0.000 0.280 58 T C 0.386 175.083 174.700 -0.006 0.000 0.990 58 T CA -0.731 61.385 62.100 0.027 0.000 0.960 58 T CB 1.804 70.725 68.868 0.089 0.000 0.939 58 T HN 0.196 nan 8.240 nan 0.000 0.439 59 V N 1.805 121.736 119.914 0.029 0.000 2.732 59 V HA 0.740 4.860 4.120 0.000 0.000 0.310 59 V C -0.049 176.079 176.094 0.056 0.000 1.053 59 V CA -1.335 60.965 62.300 -0.001 0.000 0.957 59 V CB 1.535 33.322 31.823 -0.060 0.000 1.018 59 V HN 0.833 nan 8.190 nan 0.000 0.452 60 R N 1.785 122.318 120.500 0.054 0.000 2.407 60 R HA 0.735 5.075 4.340 0.000 0.000 0.303 60 R C -0.328 176.003 176.300 0.050 0.000 0.981 60 R CA 0.211 56.341 56.100 0.050 0.000 0.905 60 R CB 1.623 31.948 30.300 0.041 0.000 1.099 60 R HN 1.152 nan 8.270 nan 0.000 0.459 61 T N 2.183 116.764 114.554 0.045 0.000 2.900 61 T HA 0.463 4.813 4.350 0.000 0.000 0.295 61 T C 0.197 174.916 174.700 0.031 0.000 1.044 61 T CA -1.013 61.112 62.100 0.042 0.000 0.995 61 T CB 1.051 69.951 68.868 0.053 0.000 1.072 61 T HN 0.589 nan 8.240 nan 0.000 0.473 62 I N 0.561 121.148 120.570 0.028 0.000 2.396 62 I HA 0.780 4.950 4.170 0.000 0.000 0.292 62 I C 0.330 176.464 176.117 0.028 0.000 0.999 62 I CA -1.246 60.069 61.300 0.025 0.000 1.310 62 I CB 0.896 38.909 38.000 0.022 0.000 1.404 62 I HN 0.851 nan 8.210 nan 0.000 0.496 63 A N 7.069 129.903 122.820 0.024 0.000 2.363 63 A HA 0.491 4.811 4.320 0.000 0.000 0.270 63 A C 0.739 178.338 177.584 0.024 0.000 1.121 63 A CA -0.642 51.409 52.037 0.023 0.000 0.800 63 A CB 0.670 19.681 19.000 0.018 0.000 1.052 63 A HN 0.867 nan 8.150 nan 0.000 0.493 64 M N 1.100 120.716 119.600 0.027 0.000 2.563 64 M HA 0.178 4.658 4.480 0.000 0.000 0.231 64 M C -0.157 176.155 176.300 0.022 0.000 1.136 64 M CA 0.621 55.937 55.300 0.027 0.000 1.026 64 M CB -1.289 31.329 32.600 0.030 0.000 1.597 64 M HN 0.796 nan 8.290 nan 0.000 0.495 65 D N -1.390 119.020 120.400 0.018 0.000 2.713 65 D HA 0.414 5.054 4.640 0.000 0.000 0.306 65 D C -0.620 175.687 176.300 0.012 0.000 1.299 65 D CA -0.218 53.791 54.000 0.015 0.000 0.823 65 D CB 0.932 41.740 40.800 0.013 0.000 1.353 65 D HN 0.108 nan 8.370 nan 0.000 0.447 66 G N -0.782 108.024 108.800 0.009 0.000 2.432 66 G HA2 0.364 4.324 3.960 0.000 0.000 0.239 66 G HA3 0.364 4.324 3.960 0.000 0.000 0.239 66 G C 0.878 175.782 174.900 0.007 0.000 1.291 66 G CA 0.635 45.739 45.100 0.007 0.000 0.863 66 G HN 0.409 nan 8.290 nan 0.000 0.560 67 T N -1.033 113.524 114.554 0.006 0.000 3.069 67 T HA 0.171 4.521 4.350 0.000 0.000 0.252 67 T C 0.799 175.501 174.700 0.002 0.000 1.053 67 T CA -0.081 62.022 62.100 0.005 0.000 0.964 67 T CB 0.024 68.895 68.868 0.005 0.000 1.005 67 T HN 0.618 nan 8.240 nan 0.000 0.532 68 E N 1.462 121.664 120.200 0.002 0.000 2.757 68 E HA 0.207 4.557 4.350 0.000 0.000 0.238 68 E C 1.097 177.697 176.600 -0.001 0.000 1.057 68 E CA 0.997 57.398 56.400 0.001 0.000 0.952 68 E CB -0.835 28.865 29.700 0.001 0.000 0.934 68 E HN 0.673 nan 8.360 nan 0.000 0.518 69 G N 3.925 112.724 108.800 -0.002 0.000 2.192 69 G HA2 -0.221 3.739 3.960 0.000 0.000 0.193 69 G HA3 -0.221 3.739 3.960 0.000 0.000 0.193 69 G C 0.188 175.085 174.900 -0.005 0.000 0.999 69 G CA -0.151 44.947 45.100 -0.003 0.000 0.659 69 G HN 0.517 nan 8.290 nan 0.000 0.503 70 L N 1.475 122.695 121.223 -0.005 0.000 2.416 70 L HA 0.464 4.804 4.340 0.000 0.000 0.272 70 L C 0.496 177.360 176.870 -0.010 0.000 1.161 70 L CA -0.369 54.467 54.840 -0.008 0.000 0.845 70 L CB 1.347 43.402 42.059 -0.006 0.000 1.119 70 L HN -0.027 nan 8.230 nan 0.000 0.464 71 V N 4.685 124.591 119.914 -0.014 0.000 2.370 71 V HA 0.300 4.420 4.120 0.000 0.000 0.283 71 V C 0.308 176.389 176.094 -0.022 0.000 1.023 71 V CA -0.846 61.444 62.300 -0.017 0.000 0.857 71 V CB 1.385 33.197 31.823 -0.017 0.000 0.985 71 V HN 0.693 nan 8.190 nan 0.000 0.443 72 R N 3.242 123.729 120.500 -0.023 0.000 2.500 72 R HA 0.252 4.592 4.340 0.000 0.000 0.281 72 R C 1.397 177.674 176.300 -0.037 0.000 0.953 72 R CA 1.138 57.220 56.100 -0.030 0.000 1.108 72 R CB -0.104 30.178 30.300 -0.029 0.000 0.901 72 R HN 1.174 nan 8.270 nan 0.000 0.410 73 G N 1.814 110.586 108.800 -0.047 0.000 2.232 73 G HA2 -0.309 3.651 3.960 0.000 0.000 0.226 73 G HA3 -0.309 3.651 3.960 0.000 0.000 0.226 73 G C 0.154 175.024 174.900 -0.051 0.000 0.996 73 G CA 0.060 45.128 45.100 -0.054 0.000 0.626 73 G HN 0.622 nan 8.290 nan 0.000 0.509 74 E N 1.567 121.741 120.200 -0.043 0.000 2.467 74 E HA 0.448 4.798 4.350 0.000 0.000 0.264 74 E C 0.999 177.568 176.600 -0.052 0.000 1.020 74 E CA 0.901 57.278 56.400 -0.039 0.000 0.945 74 E CB 0.256 29.939 29.700 -0.029 0.000 0.942 74 E HN 0.819 nan 8.360 nan 0.000 0.449 75 K N 1.825 122.198 120.400 -0.046 0.000 2.154 75 K HA 0.443 4.763 4.320 0.000 0.000 0.264 75 K C -0.682 175.886 176.600 -0.053 0.000 1.008 75 K CA -0.322 55.931 56.287 -0.056 0.000 0.937 75 K CB 1.222 33.698 32.500 -0.040 0.000 1.002 75 K HN 0.324 nan 8.250 nan 0.000 0.469 76 V N 2.063 121.934 119.914 -0.072 0.000 2.612 76 V HA 0.339 4.459 4.120 0.000 0.000 0.301 76 V C -1.043 175.051 176.094 -0.000 0.000 1.059 76 V CA -0.868 61.405 62.300 -0.045 0.000 0.886 76 V CB 1.353 33.124 31.823 -0.086 0.000 1.007 76 V HN 0.820 nan 8.190 nan 0.000 0.426 77 L N 4.044 125.289 121.223 0.037 0.000 2.265 77 L HA 0.598 4.938 4.340 0.000 0.000 0.288 77 L C -0.020 176.914 176.870 0.107 0.000 1.058 77 L CA 0.254 55.133 54.840 0.065 0.000 0.809 77 L CB 1.098 43.182 42.059 0.042 0.000 1.179 77 L HN 0.735 nan 8.230 nan 0.000 0.429 78 D N 2.420 122.915 120.400 0.159 0.000 2.343 78 D HA 0.068 4.708 4.640 0.000 0.000 0.255 78 D C 1.078 177.419 176.300 0.069 0.000 1.187 78 D CA 0.412 54.493 54.000 0.136 0.000 0.875 78 D CB 1.299 42.185 40.800 0.143 0.000 1.136 78 D HN 0.714 nan 8.370 nan 0.000 0.469 79 T N 0.932 115.515 114.554 0.049 0.000 3.148 79 T HA 0.299 4.649 4.350 0.000 0.000 0.253 79 T C 1.464 176.176 174.700 0.020 0.000 1.134 79 T CA 0.589 62.708 62.100 0.032 0.000 1.051 79 T CB -0.021 68.864 68.868 0.028 0.000 0.959 79 T HN 0.626 nan 8.240 nan 0.000 0.525 80 G N 0.383 109.190 108.800 0.012 0.000 2.729 80 G HA2 -0.049 3.911 3.960 0.000 0.000 0.216 80 G HA3 -0.049 3.911 3.960 0.000 0.000 0.216 80 G C 0.488 175.385 174.900 -0.005 0.000 1.252 80 G CA -0.161 44.938 45.100 -0.001 0.000 0.751 80 G HN 1.111 nan 8.290 nan 0.000 0.527 81 G N 0.548 109.351 108.800 0.005 0.000 3.107 81 G HA2 0.786 4.746 3.960 0.000 0.000 0.232 81 G HA3 0.786 4.746 3.960 0.000 0.000 0.232 81 G C -2.934 171.978 174.900 0.019 0.000 1.339 81 G CA -0.439 44.666 45.100 0.008 0.000 1.033 81 G HN 0.435 nan 8.290 nan 0.000 0.567 82 P HA 0.327 nan 4.420 nan 0.000 0.279 82 P C -0.059 177.287 177.300 0.077 0.000 1.282 82 P CA -0.662 62.484 63.100 0.077 0.000 0.788 82 P CB 0.685 32.478 31.700 0.155 0.000 1.139 83 I N 0.299 120.931 120.570 0.103 0.000 2.828 83 I HA -0.057 4.113 4.170 0.000 0.000 0.292 83 I C 0.742 176.876 176.117 0.028 0.000 1.206 83 I CA 1.086 62.422 61.300 0.060 0.000 1.420 83 I CB -0.420 37.618 38.000 0.063 0.000 1.368 83 I HN 0.315 nan 8.210 nan 0.000 0.556 84 S N 6.431 122.134 115.700 0.005 0.000 2.532 84 S HA 0.838 5.308 4.470 0.000 0.000 0.301 84 S C -0.481 174.098 174.600 -0.036 0.000 1.083 84 S CA -0.817 57.373 58.200 -0.018 0.000 1.025 84 S CB 2.156 65.346 63.200 -0.016 0.000 1.056 84 S HN 0.555 nan 8.310 nan 0.000 0.494 85 V N -1.684 118.194 119.914 -0.061 0.000 2.876 85 V HA 0.785 4.905 4.120 0.000 0.000 0.312 85 V C -3.031 172.999 176.094 -0.107 0.000 1.085 85 V CA -2.849 59.407 62.300 -0.074 0.000 0.945 85 V CB 1.669 33.446 31.823 -0.076 0.000 1.017 85 V HN 0.801 nan 8.190 nan 0.000 0.428 86 P HA 0.232 nan 4.420 nan 0.000 0.266 86 P C -0.181 176.994 177.300 -0.207 0.000 1.195 86 P CA 0.401 63.417 63.100 -0.139 0.000 0.768 86 P CB 1.228 32.871 31.700 -0.096 0.000 0.838 87 V N -1.276 118.445 119.914 -0.322 0.000 3.139 87 V HA 0.959 5.079 4.120 0.000 0.000 0.310 87 V C 0.218 176.035 176.094 -0.461 0.000 1.260 87 V CA -0.238 61.757 62.300 -0.508 0.000 1.064 87 V CB 0.844 32.150 31.823 -0.862 0.000 1.160 87 V HN 0.990 nan 8.190 nan 0.000 0.470 88 G N 0.568 109.107 108.800 -0.436 0.000 2.828 88 G HA2 -0.181 3.779 3.960 0.000 0.000 0.463 88 G HA3 -0.181 3.779 3.960 0.000 0.000 0.463 88 G C 0.082 175.169 174.900 0.313 0.000 1.394 88 G CA 0.391 45.573 45.100 0.137 0.000 0.862 88 G HN 1.133 nan 8.290 nan 0.000 0.540 89 R N 0.237 120.922 120.500 0.307 0.000 2.241 89 R HA -0.003 4.337 4.340 0.000 0.000 0.224 89 R C 2.230 178.535 176.300 0.008 0.000 1.101 89 R CA 1.788 57.937 56.100 0.081 0.000 0.995 89 R CB -0.136 30.149 30.300 -0.024 0.000 0.870 89 R HN 0.654 nan 8.270 nan 0.000 0.463 90 E N -0.496 119.721 120.200 0.027 0.000 2.338 90 E HA -0.122 4.228 4.350 0.000 0.000 0.197 90 E C 1.825 178.423 176.600 -0.004 0.000 1.007 90 E CA 1.587 57.987 56.400 -0.001 0.000 0.849 90 E CB -0.068 29.628 29.700 -0.006 0.000 0.774 90 E HN 0.436 nan 8.360 nan 0.000 0.506 91 T N -1.129 113.431 114.554 0.010 0.000 2.985 91 T HA 0.005 4.355 4.350 0.000 0.000 0.266 91 T C 0.927 175.644 174.700 0.027 0.000 1.076 91 T CA 0.016 62.124 62.100 0.013 0.000 1.135 91 T CB -0.313 68.556 68.868 0.002 0.000 0.890 91 T HN -0.010 nan 8.240 nan 0.000 0.480 92 L N 1.863 123.087 121.223 0.001 0.000 2.525 92 L HA 0.363 4.703 4.340 0.000 0.000 0.278 92 L C 1.842 178.703 176.870 -0.015 0.000 1.218 92 L CA 0.915 55.722 54.840 -0.055 0.000 0.878 92 L CB -0.218 41.682 42.059 -0.264 0.000 1.127 92 L HN 0.586 nan 8.230 nan 0.000 0.492 93 G N 1.817 110.633 108.800 0.026 0.000 2.212 93 G HA2 -0.231 3.729 3.960 0.000 0.000 0.266 93 G HA3 -0.231 3.729 3.960 0.000 0.000 0.266 93 G C 0.357 175.320 174.900 0.105 0.000 0.978 93 G CA -0.218 44.922 45.100 0.066 0.000 0.632 93 G HN 0.504 nan 8.290 nan 0.000 0.537 94 R N 0.006 120.550 120.500 0.074 0.000 2.598 94 R HA 0.684 5.024 4.340 0.000 0.000 0.279 94 R C 0.377 176.704 176.300 0.046 0.000 0.984 94 R CA -0.976 55.157 56.100 0.054 0.000 0.999 94 R CB 0.923 31.239 30.300 0.027 0.000 1.114 94 R HN 0.315 nan 8.270 nan 0.000 0.493 95 I N 3.423 123.982 120.570 -0.018 0.000 2.342 95 I HA 0.364 4.534 4.170 0.000 0.000 0.291 95 I C 0.336 176.462 176.117 0.015 0.000 1.010 95 I CA -0.344 60.951 61.300 -0.009 0.000 1.308 95 I CB 0.717 38.614 38.000 -0.171 0.000 1.400 95 I HN 0.286 nan 8.210 nan 0.000 0.488 96 I N 5.253 125.860 120.570 0.063 0.000 2.957 96 I HA 0.428 4.598 4.170 0.000 0.000 0.310 96 I C -0.231 175.924 176.117 0.064 0.000 1.063 96 I CA -0.753 60.569 61.300 0.037 0.000 1.033 96 I CB 1.906 39.915 38.000 0.015 0.000 1.230 96 I HN 0.645 nan 8.210 nan 0.000 0.447 97 N N 1.342 120.064 118.700 0.036 0.000 2.813 97 N HA 0.227 4.967 4.740 0.000 0.000 0.320 97 N C 0.351 175.873 175.510 0.020 0.000 1.315 97 N CA -0.793 52.284 53.050 0.044 0.000 0.871 97 N CB 0.416 38.923 38.487 0.032 0.000 1.241 97 N HN 0.355 nan 8.380 nan 0.000 0.602 98 V N -0.343 119.584 119.914 0.021 0.000 2.407 98 V HA -0.056 4.064 4.120 0.000 0.000 0.248 98 V C 1.560 177.652 176.094 -0.004 0.000 1.055 98 V CA 1.724 64.028 62.300 0.006 0.000 1.049 98 V CB -0.771 31.063 31.823 0.018 0.000 0.662 98 V HN 0.664 nan 8.190 nan 0.000 0.455 99 I N -2.541 118.031 120.570 0.003 0.000 3.891 99 I HA 0.503 4.673 4.170 0.000 0.000 0.331 99 I C 1.199 177.310 176.117 -0.009 0.000 1.406 99 I CA 0.620 61.920 61.300 0.000 0.000 1.139 99 I CB -0.291 37.715 38.000 0.009 0.000 1.056 99 I HN 0.345 nan 8.210 nan 0.000 0.399 100 G N 1.300 110.091 108.800 -0.015 0.000 2.141 100 G HA2 -0.247 3.713 3.960 0.000 0.000 0.242 100 G HA3 -0.247 3.713 3.960 0.000 0.000 0.242 100 G C -0.174 174.715 174.900 -0.018 0.000 0.982 100 G CA -0.008 45.077 45.100 -0.025 0.000 0.662 100 G HN 0.638 nan 8.290 nan 0.000 0.527 101 E N 1.402 121.596 120.200 -0.009 0.000 2.277 101 E HA 0.440 4.790 4.350 0.000 0.000 0.274 101 E C -2.211 174.385 176.600 -0.007 0.000 1.022 101 E CA -1.960 54.435 56.400 -0.008 0.000 0.853 101 E CB 1.652 31.349 29.700 -0.005 0.000 1.086 101 E HN 0.174 nan 8.360 nan 0.000 0.397 102 P HA 0.069 nan 4.420 nan 0.000 0.275 102 P C -0.010 177.278 177.300 -0.021 0.000 1.227 102 P CA 0.266 63.358 63.100 -0.014 0.000 0.781 102 P CB 0.435 32.127 31.700 -0.013 0.000 0.906 103 I N -0.811 119.738 120.570 -0.035 0.000 3.817 103 I HA 0.279 4.449 4.170 0.000 0.000 0.325 103 I C 0.006 176.068 176.117 -0.093 0.000 1.550 103 I CA -0.296 60.972 61.300 -0.054 0.000 1.100 103 I CB 0.099 38.070 38.000 -0.049 0.000 1.216 103 I HN 0.026 nan 8.210 nan 0.000 0.481 104 D N 0.286 120.635 120.400 -0.084 0.000 2.440 104 D HA 0.050 4.690 4.640 0.000 0.000 0.216 104 D C 0.299 176.582 176.300 -0.028 0.000 1.150 104 D CA -0.295 53.647 54.000 -0.098 0.000 0.832 104 D CB -0.143 40.576 40.800 -0.135 0.000 0.992 104 D HN 0.427 nan 8.370 nan 0.000 0.502 105 E N 0.423 120.610 120.200 -0.022 0.000 2.328 105 E HA -0.252 4.098 4.350 0.000 0.000 0.233 105 E C -0.001 176.603 176.600 0.007 0.000 1.219 105 E CA 0.292 56.689 56.400 -0.005 0.000 0.717 105 E CB -0.901 28.799 29.700 -0.002 0.000 1.210 105 E HN 0.449 nan 8.360 nan 0.000 0.381 106 R N -0.160 120.344 120.500 0.008 0.000 2.613 106 R HA 0.306 4.646 4.340 0.000 0.000 0.361 106 R C 0.882 177.188 176.300 0.009 0.000 1.072 106 R CA 0.250 56.360 56.100 0.016 0.000 1.089 106 R CB 1.178 31.496 30.300 0.030 0.000 1.343 106 R HN 0.325 nan 8.270 nan 0.000 0.571 107 G N 2.525 111.327 108.800 0.003 0.000 2.568 107 G HA2 -0.221 3.739 3.960 0.000 0.000 0.222 107 G HA3 -0.221 3.739 3.960 0.000 0.000 0.222 107 G C -2.745 172.154 174.900 -0.002 0.000 1.321 107 G CA -0.937 44.164 45.100 0.001 0.000 0.893 107 G HN 0.162 nan 8.290 nan 0.000 0.569 108 P HA 0.687 nan 4.420 nan 0.000 0.285 108 P C -0.464 176.832 177.300 -0.007 0.000 1.269 108 P CA -0.827 62.269 63.100 -0.006 0.000 0.844 108 P CB 1.005 32.701 31.700 -0.007 0.000 1.094 109 I N 0.674 121.237 120.570 -0.011 0.000 2.436 109 I HA 0.191 4.361 4.170 0.000 0.000 0.289 109 I C 1.519 177.626 176.117 -0.017 0.000 1.083 109 I CA 0.447 61.739 61.300 -0.014 0.000 1.372 109 I CB -0.208 37.779 38.000 -0.022 0.000 1.408 109 I HN 0.370 nan 8.210 nan 0.000 0.516 110 K N 5.024 125.416 120.400 -0.012 0.000 2.502 110 K HA 0.383 4.703 4.320 0.000 0.000 0.244 110 K C 0.256 176.847 176.600 -0.016 0.000 1.249 110 K CA -0.203 56.077 56.287 -0.011 0.000 1.193 110 K CB 0.319 32.816 32.500 -0.004 0.000 1.674 110 K HN 0.566 nan 8.250 nan 0.000 0.302 111 S N 0.268 115.950 115.700 -0.029 0.000 2.462 111 S HA 0.504 4.974 4.470 0.000 0.000 0.294 111 S C 1.648 176.219 174.600 -0.047 0.000 1.144 111 S CA 0.235 58.408 58.200 -0.046 0.000 1.088 111 S CB 1.229 64.383 63.200 -0.076 0.000 1.009 111 S HN 0.738 nan 8.310 nan 0.000 0.484 112 K N 3.903 124.279 120.400 -0.040 0.000 2.155 112 K HA 0.286 4.606 4.320 0.000 0.000 0.203 112 K C 0.722 177.297 176.600 -0.043 0.000 1.052 112 K CA 1.032 57.304 56.287 -0.025 0.000 0.948 112 K CB -0.522 31.980 32.500 0.003 0.000 0.728 112 K HN 0.688 nan 8.250 nan 0.000 0.448 113 L N -0.459 120.707 121.223 -0.095 0.000 2.333 113 L HA 0.571 4.911 4.340 0.000 0.000 0.263 113 L C -0.688 176.087 176.870 -0.157 0.000 1.014 113 L CA -1.239 53.535 54.840 -0.110 0.000 0.820 113 L CB 2.529 44.520 42.059 -0.112 0.000 1.352 113 L HN 0.270 nan 8.230 nan 0.000 0.421 114 R N 2.011 122.442 120.500 -0.115 0.000 2.795 114 R HA 0.609 4.949 4.340 0.000 0.000 0.275 114 R C -1.435 174.812 176.300 -0.089 0.000 0.981 114 R CA -1.085 54.947 56.100 -0.114 0.000 0.917 114 R CB 2.243 32.500 30.300 -0.071 0.000 1.202 114 R HN 0.304 nan 8.270 nan 0.000 0.469 115 K N 1.878 122.225 120.400 -0.089 0.000 2.426 115 K HA 0.455 4.775 4.320 0.000 0.000 0.251 115 K C -2.694 173.883 176.600 -0.040 0.000 0.941 115 K CA -2.104 54.154 56.287 -0.049 0.000 0.808 115 K CB 2.411 34.886 32.500 -0.042 0.000 1.265 115 K HN 0.366 nan 8.250 nan 0.000 0.432 116 P HA 0.222 nan 4.420 nan 0.000 0.277 116 P C 0.810 178.093 177.300 -0.028 0.000 1.240 116 P CA -0.370 62.730 63.100 -0.001 0.000 0.798 116 P CB 0.487 32.205 31.700 0.030 0.000 0.979 117 I N -1.583 118.952 120.570 -0.058 0.000 3.251 117 I HA 0.113 4.283 4.170 0.000 0.000 0.277 117 I C 0.363 176.290 176.117 -0.316 0.000 1.268 117 I CA 0.429 61.615 61.300 -0.190 0.000 1.449 117 I CB -0.589 37.264 38.000 -0.245 0.000 1.083 117 I HN 0.210 nan 8.210 nan 0.000 0.464 118 H N 2.847 121.906 119.070 -0.018 0.000 2.581 118 H HA 0.764 5.320 4.556 0.000 0.000 0.308 118 H C -0.607 174.712 175.328 -0.016 0.000 1.040 118 H CA -0.387 55.652 56.048 -0.015 0.000 1.231 118 H CB 1.448 31.205 29.762 -0.008 0.000 1.396 118 H HN 0.388 nan 8.280 nan 0.000 0.467 119 A N 3.318 126.175 122.820 0.061 0.000 2.475 119 A HA 0.294 4.614 4.320 0.000 0.000 0.301 119 A C -0.684 176.914 177.584 0.022 0.000 1.059 119 A CA -0.972 51.084 52.037 0.032 0.000 0.710 119 A CB 1.410 20.413 19.000 0.005 0.000 1.288 119 A HN 0.506 nan 8.150 nan 0.000 0.408 120 D N 2.652 123.063 120.400 0.018 0.000 2.450 120 D HA 0.363 5.003 4.640 0.000 0.000 0.247 120 D C -2.002 174.301 176.300 0.005 0.000 1.162 120 D CA -0.122 53.886 54.000 0.013 0.000 0.879 120 D CB 0.501 41.309 40.800 0.012 0.000 1.163 120 D HN 0.213 nan 8.370 nan 0.000 0.472 121 P HA 0.136 nan 4.420 nan 0.000 0.270 121 P C -2.460 174.842 177.300 0.004 0.000 1.227 121 P CA -0.871 62.227 63.100 -0.003 0.000 0.788 121 P CB -0.282 31.420 31.700 0.002 0.000 0.926 122 P HA 0.000 nan 4.420 nan 0.000 0.266 122 P C 0.116 177.427 177.300 0.018 0.000 1.195 122 P CA 0.212 63.310 63.100 -0.002 0.000 0.768 122 P CB 0.132 31.822 31.700 -0.017 0.000 0.838 123 S N 2.441 118.154 115.700 0.022 0.000 2.598 123 S HA -0.005 4.465 4.470 0.000 0.000 0.256 123 S C 0.965 175.615 174.600 0.084 0.000 1.350 123 S CA -0.273 57.962 58.200 0.058 0.000 0.984 123 S CB -0.152 63.077 63.200 0.048 0.000 0.930 123 S HN 0.436 nan 8.310 nan 0.000 0.577 124 F N 1.282 121.228 119.950 -0.005 0.000 2.146 124 F HA 0.104 4.631 4.527 -0.000 0.000 0.298 124 F C 2.347 178.143 175.800 -0.007 0.000 1.096 124 F CA 1.361 59.358 58.000 -0.005 0.000 1.275 124 F CB -1.069 37.929 39.000 -0.003 0.000 1.008 124 F HN 0.665 nan 8.300 nan 0.000 0.480 125 A N -0.380 122.343 122.820 -0.163 0.000 2.172 125 A HA -0.104 4.216 4.320 0.000 0.000 0.216 125 A C 1.965 179.428 177.584 -0.203 0.000 1.154 125 A CA 1.425 53.311 52.037 -0.251 0.000 0.701 125 A CB -0.810 18.156 19.000 -0.057 0.000 0.789 125 A HN 0.592 nan 8.150 nan 0.000 0.465 126 E N -0.348 119.767 120.200 -0.142 0.000 2.474 126 E HA 0.011 4.361 4.350 0.000 0.000 0.194 126 E C 0.109 176.639 176.600 -0.118 0.000 1.041 126 E CA -0.220 56.119 56.400 -0.102 0.000 0.874 126 E CB 0.167 29.834 29.700 -0.055 0.000 0.914 126 E HN 0.529 nan 8.360 nan 0.000 0.498 127 Q N 0.584 120.279 119.800 -0.175 0.000 2.394 127 Q HA 0.097 4.437 4.340 0.000 0.000 0.248 127 Q C 0.089 176.000 176.000 -0.149 0.000 0.992 127 Q CA 0.030 55.743 55.803 -0.150 0.000 0.888 127 Q CB 1.427 30.061 28.738 -0.173 0.000 1.257 127 Q HN 0.028 nan 8.270 nan 0.000 0.462 128 S N 0.016 115.655 115.700 -0.101 0.000 2.593 128 S HA 0.122 4.592 4.470 0.000 0.000 0.269 128 S C 0.968 175.513 174.600 -0.091 0.000 1.334 128 S CA 0.298 58.446 58.200 -0.087 0.000 1.015 128 S CB 0.526 63.689 63.200 -0.062 0.000 0.912 128 S HN 0.701 nan 8.310 nan 0.000 0.541 129 T N 0.083 114.590 114.554 -0.078 0.000 3.023 129 T HA 0.347 4.697 4.350 0.000 0.000 0.253 129 T C 0.230 174.910 174.700 -0.033 0.000 1.038 129 T CA -0.245 61.817 62.100 -0.064 0.000 0.962 129 T CB -0.005 68.822 68.868 -0.069 0.000 1.018 129 T HN 0.345 nan 8.240 nan 0.000 0.521 130 S N 1.137 116.818 115.700 -0.031 0.000 2.526 130 S HA 0.777 5.247 4.470 0.000 0.000 0.293 130 S C -0.234 174.355 174.600 -0.019 0.000 1.092 130 S CA -0.887 57.301 58.200 -0.020 0.000 0.980 130 S CB 1.648 64.837 63.200 -0.019 0.000 1.048 130 S HN 0.672 nan 8.310 nan 0.000 0.483 131 A N 2.839 125.651 122.820 -0.012 0.000 2.440 131 A HA 0.546 4.866 4.320 0.000 0.000 0.251 131 A C 0.217 177.793 177.584 -0.013 0.000 1.089 131 A CA -0.239 51.792 52.037 -0.010 0.000 0.779 131 A CB 0.000 18.998 19.000 -0.003 0.000 1.022 131 A HN 0.826 nan 8.150 nan 0.000 0.492 132 E N 2.174 122.365 120.200 -0.015 0.000 2.356 132 E HA 0.515 4.865 4.350 0.000 0.000 0.275 132 E C -1.329 175.264 176.600 -0.013 0.000 0.904 132 E CA -1.000 55.390 56.400 -0.017 0.000 0.757 132 E CB 1.047 30.732 29.700 -0.025 0.000 1.232 132 E HN 0.333 nan 8.360 nan 0.000 0.442 133 I N 2.280 122.846 120.570 -0.007 0.000 2.441 133 I HA 0.116 4.286 4.170 0.000 0.000 0.287 133 I C 0.063 176.176 176.117 -0.007 0.000 1.049 133 I CA -0.617 60.687 61.300 0.008 0.000 1.381 133 I CB 0.516 38.526 38.000 0.017 0.000 1.409 133 I HN 0.598 nan 8.210 nan 0.000 0.523 134 L N 6.973 128.206 121.223 0.015 0.000 2.268 134 L HA 0.219 4.559 4.340 0.000 0.000 0.289 134 L C 0.646 177.552 176.870 0.059 0.000 1.064 134 L CA 0.038 54.871 54.840 -0.012 0.000 0.824 134 L CB 0.194 42.269 42.059 0.027 0.000 1.202 134 L HN 0.571 nan 8.230 nan 0.000 0.433 135 E N 2.432 122.688 120.200 0.093 0.000 2.366 135 E HA -0.048 4.302 4.350 0.000 0.000 0.266 135 E C 0.332 177.025 176.600 0.156 0.000 1.015 135 E CA 0.165 56.639 56.400 0.124 0.000 0.906 135 E CB 1.070 30.862 29.700 0.153 0.000 0.979 135 E HN 0.716 nan 8.360 nan 0.000 0.443 136 T N 2.464 117.020 114.554 0.003 0.000 3.023 136 T HA 0.205 4.555 4.350 0.000 0.000 0.249 136 T C 1.123 175.759 174.700 -0.107 0.000 1.050 136 T CA 0.950 63.009 62.100 -0.068 0.000 1.088 136 T CB -0.100 68.620 68.868 -0.246 0.000 0.946 136 T HN 0.835 nan 8.240 nan 0.000 0.480 137 G N 1.211 109.961 108.800 -0.083 0.000 2.176 137 G HA2 -0.197 3.763 3.960 0.000 0.000 0.253 137 G HA3 -0.197 3.763 3.960 0.000 0.000 0.253 137 G C 0.109 174.967 174.900 -0.071 0.000 0.979 137 G CA 0.215 45.263 45.100 -0.086 0.000 0.641 137 G HN 0.576 nan 8.290 nan 0.000 0.530 138 I N 1.077 121.604 120.570 -0.072 0.000 2.328 138 I HA 0.295 4.465 4.170 0.000 0.000 0.287 138 I C 1.520 177.643 176.117 0.011 0.000 1.012 138 I CA -0.845 60.464 61.300 0.015 0.000 1.195 138 I CB 1.377 39.407 38.000 0.049 0.000 1.350 138 I HN -0.016 nan 8.210 nan 0.000 0.464 139 K N 3.645 124.052 120.400 0.011 0.000 2.015 139 K HA -0.237 4.083 4.320 0.000 0.000 0.220 139 K C 1.885 178.424 176.600 -0.102 0.000 1.055 139 K CA 2.252 58.503 56.287 -0.059 0.000 0.951 139 K CB -0.377 32.083 32.500 -0.067 0.000 0.725 139 K HN 0.661 nan 8.250 nan 0.000 0.449 140 V N -0.319 119.570 119.914 -0.042 0.000 2.370 140 V HA -0.248 3.872 4.120 0.000 0.000 0.252 140 V C 2.232 178.300 176.094 -0.043 0.000 1.068 140 V CA 1.911 64.180 62.300 -0.052 0.000 1.061 140 V CB -1.025 30.814 31.823 0.027 0.000 0.656 140 V HN 0.082 nan 8.190 nan 0.000 0.455 141 V N 0.476 120.382 119.914 -0.014 0.000 2.273 141 V HA -0.140 3.980 4.120 0.000 0.000 0.242 141 V C 2.524 178.567 176.094 -0.084 0.000 1.035 141 V CA 2.140 64.404 62.300 -0.059 0.000 1.013 141 V CB -0.785 30.947 31.823 -0.152 0.000 0.652 141 V HN 0.443 nan 8.190 nan 0.000 0.452 142 D N 0.128 120.475 120.400 -0.087 0.000 2.133 142 D HA -0.205 4.435 4.640 0.000 0.000 0.192 142 D C 1.958 178.308 176.300 0.083 0.000 1.001 142 D CA 1.581 55.572 54.000 -0.016 0.000 0.844 142 D CB -0.300 40.487 40.800 -0.023 0.000 0.944 142 D HN 0.294 nan 8.370 nan 0.000 0.447 143 L N -0.016 121.187 121.223 -0.034 0.000 1.988 143 L HA -0.070 4.270 4.340 0.000 0.000 0.207 143 L C 2.232 179.147 176.870 0.074 0.000 1.071 143 L CA 1.458 56.262 54.840 -0.061 0.000 0.744 143 L CB -0.247 41.582 42.059 -0.383 0.000 0.893 143 L HN 0.010 nan 8.230 nan 0.000 0.433 144 L N -1.415 119.786 121.223 -0.037 0.000 2.286 144 L HA 0.261 4.601 4.340 0.000 0.000 0.203 144 L C 0.973 177.847 176.870 0.006 0.000 1.068 144 L CA 0.570 55.391 54.840 -0.032 0.000 0.811 144 L CB -0.248 41.773 42.059 -0.063 0.000 0.989 144 L HN 0.228 nan 8.230 nan 0.000 0.467 145 A N 0.670 123.505 122.820 0.024 0.000 3.297 145 A HA 0.442 4.762 4.320 0.000 0.000 0.304 145 A C -2.559 175.079 177.584 0.089 0.000 0.963 145 A CA -1.074 51.005 52.037 0.070 0.000 0.935 145 A CB -0.311 18.754 19.000 0.109 0.000 1.093 145 A HN -0.104 nan 8.150 nan 0.000 0.480 146 P HA 0.086 nan 4.420 nan 0.000 0.268 146 P C -0.910 176.503 177.300 0.187 0.000 1.205 146 P CA 0.333 63.457 63.100 0.040 0.000 0.771 146 P CB 0.476 32.181 31.700 0.007 0.000 0.858 147 Y N 0.743 121.062 120.300 0.031 0.000 2.377 147 Y HA 0.299 4.849 4.550 0.000 0.000 0.330 147 Y C 1.218 177.111 175.900 -0.012 0.000 1.108 147 Y CA -1.478 56.630 58.100 0.012 0.000 1.308 147 Y CB -0.227 38.238 38.460 0.008 0.000 1.216 147 Y HN 0.379 nan 8.280 nan 0.000 0.518 148 A N 5.120 128.015 122.820 0.126 0.000 2.404 148 A HA 0.277 4.597 4.320 0.000 0.000 0.273 148 A C 0.665 178.255 177.584 0.010 0.000 1.144 148 A CA -0.738 51.325 52.037 0.044 0.000 0.806 148 A CB -0.165 18.845 19.000 0.017 0.000 1.080 148 A HN 0.825 nan 8.150 nan 0.000 0.509 149 R N 2.596 123.091 120.500 -0.008 0.000 2.507 149 R HA 0.295 4.635 4.340 0.000 0.000 0.341 149 R C 1.065 177.335 176.300 -0.050 0.000 0.960 149 R CA 1.379 57.452 56.100 -0.045 0.000 1.032 149 R CB -0.514 29.745 30.300 -0.068 0.000 0.933 149 R HN 1.691 nan 8.270 nan 0.000 0.418 150 G N 2.397 111.159 108.800 -0.062 0.000 2.144 150 G HA2 -0.201 3.759 3.960 0.000 0.000 0.218 150 G HA3 -0.201 3.759 3.960 0.000 0.000 0.218 150 G C 0.146 175.006 174.900 -0.067 0.000 0.988 150 G CA -0.309 44.752 45.100 -0.064 0.000 0.659 150 G HN 0.950 nan 8.290 nan 0.000 0.522 151 G N -0.774 107.979 108.800 -0.078 0.000 2.552 151 G HA2 0.693 4.653 3.960 0.000 0.000 0.318 151 G HA3 0.693 4.653 3.960 0.000 0.000 0.318 151 G C -0.561 174.258 174.900 -0.135 0.000 1.240 151 G CA -0.769 44.283 45.100 -0.081 0.000 1.002 151 G HN 0.307 nan 8.290 nan 0.000 0.493 152 K N -0.725 119.600 120.400 -0.126 0.000 2.221 152 K HA 0.622 4.942 4.320 0.000 0.000 0.258 152 K C -1.014 175.466 176.600 -0.199 0.000 0.944 152 K CA -0.230 55.954 56.287 -0.171 0.000 0.823 152 K CB 2.134 34.561 32.500 -0.121 0.000 1.113 152 K HN 0.257 nan 8.250 nan 0.000 0.431 153 I N 1.524 121.923 120.570 -0.284 0.000 2.439 153 I HA 0.324 4.494 4.170 0.000 0.000 0.285 153 I C 0.337 176.315 176.117 -0.232 0.000 1.021 153 I CA -0.594 60.538 61.300 -0.280 0.000 1.091 153 I CB 2.179 39.839 38.000 -0.566 0.000 1.242 153 I HN 0.622 nan 8.210 nan 0.000 0.439 154 G N 5.842 114.535 108.800 -0.178 0.000 2.378 154 G HA2 0.444 4.404 3.960 0.000 0.000 0.255 154 G HA3 0.444 4.404 3.960 0.000 0.000 0.255 154 G C -0.909 173.809 174.900 -0.304 0.000 1.270 154 G CA -0.198 44.700 45.100 -0.337 0.000 0.876 154 G HN 0.453 nan 8.290 nan 0.000 0.521 155 L N 3.119 124.072 121.223 -0.450 0.000 2.298 155 L HA 0.710 5.050 4.340 0.000 0.000 0.284 155 L C -1.341 175.298 176.870 -0.385 0.000 1.013 155 L CA -1.035 53.684 54.840 -0.203 0.000 0.824 155 L CB 0.739 42.804 42.059 0.011 0.000 1.221 155 L HN 0.362 nan 8.230 nan 0.000 0.418 156 F N 4.009 123.999 119.950 0.067 0.000 2.477 156 F HA 0.859 5.386 4.527 0.000 0.000 0.335 156 F C 0.746 176.582 175.800 0.060 0.000 1.130 156 F CA -0.497 57.546 58.000 0.072 0.000 0.948 156 F CB 2.061 41.104 39.000 0.071 0.000 1.154 156 F HN 0.661 nan 8.300 nan 0.000 0.439 157 G N 0.834 109.765 108.800 0.220 0.000 2.318 157 G HA2 0.442 4.402 3.960 0.000 0.000 0.302 157 G HA3 0.442 4.402 3.960 0.000 0.000 0.302 157 G C -0.786 174.197 174.900 0.138 0.000 1.633 157 G CA -0.317 44.874 45.100 0.152 0.000 0.965 157 G HN 0.993 nan 8.290 nan 0.000 0.698 158 G N -0.217 108.657 108.800 0.123 0.000 3.410 158 G HA2 0.921 4.881 3.960 0.000 0.000 0.189 158 G HA3 0.921 4.881 3.960 0.000 0.000 0.189 158 G C 0.659 175.620 174.900 0.102 0.000 1.404 158 G CA 0.736 45.906 45.100 0.117 0.000 0.898 158 G HN 1.932 nan 8.290 nan 0.000 0.650 159 A N -1.720 121.155 122.820 0.090 0.000 2.287 159 A HA 0.561 4.881 4.320 0.000 0.000 0.273 159 A C 1.356 178.988 177.584 0.080 0.000 1.091 159 A CA 0.862 52.948 52.037 0.081 0.000 0.817 159 A CB -0.063 18.980 19.000 0.071 0.000 1.069 159 A HN 2.422 nan 8.150 nan 0.000 0.492 160 G N -1.287 107.560 108.800 0.079 0.000 2.160 160 G HA2 -0.094 3.866 3.960 0.000 0.000 0.251 160 G HA3 -0.094 3.866 3.960 0.000 0.000 0.251 160 G C 0.489 175.453 174.900 0.107 0.000 1.008 160 G CA 1.088 46.240 45.100 0.087 0.000 0.724 160 G HN 2.225 nan 8.290 nan 0.000 0.514 161 V N -3.994 115.985 119.914 0.108 0.000 3.276 161 V HA 0.684 4.804 4.120 0.000 0.000 0.319 161 V C 1.536 177.717 176.094 0.144 0.000 1.476 161 V CA 0.756 63.127 62.300 0.119 0.000 1.097 161 V CB 0.112 31.981 31.823 0.077 0.000 0.988 161 V HN 2.108 nan 8.190 nan 0.000 0.473 162 G N 1.795 110.672 108.800 0.128 0.000 2.295 162 G HA2 -0.350 3.610 3.960 0.000 0.000 0.287 162 G HA3 -0.350 3.610 3.960 0.000 0.000 0.287 162 G C 0.760 175.758 174.900 0.163 0.000 1.055 162 G CA 1.009 46.178 45.100 0.114 0.000 0.922 162 G HN 0.650 nan 8.290 nan 0.000 0.503 163 K N -0.528 119.957 120.400 0.143 0.000 2.097 163 K HA -0.114 4.206 4.320 0.000 0.000 0.205 163 K C 2.820 179.535 176.600 0.192 0.000 1.050 163 K CA 2.019 58.415 56.287 0.182 0.000 0.938 163 K CB -0.190 32.400 32.500 0.151 0.000 0.718 163 K HN 0.591 nan 8.250 nan 0.000 0.442 164 T N -1.827 112.790 114.554 0.104 0.000 2.942 164 T HA -0.030 4.320 4.350 0.000 0.000 0.265 164 T C 1.901 176.609 174.700 0.014 0.000 1.062 164 T CA 0.841 62.958 62.100 0.028 0.000 1.139 164 T CB -0.165 68.694 68.868 -0.016 0.000 0.883 164 T HN -0.050 nan 8.240 nan 0.000 0.468 165 V N 0.466 120.410 119.914 0.051 0.000 2.591 165 V HA 0.049 4.169 4.120 0.000 0.000 0.249 165 V C 2.090 178.328 176.094 0.240 0.000 1.053 165 V CA 1.047 63.388 62.300 0.067 0.000 1.068 165 V CB -0.926 30.893 31.823 -0.007 0.000 0.689 165 V HN 0.379 nan 8.190 nan 0.000 0.462 166 F N 0.832 120.903 119.950 0.203 0.000 2.051 166 F HA -0.168 4.359 4.527 -0.000 0.000 0.296 166 F C 2.208 178.076 175.800 0.113 0.000 1.122 166 F CA 1.679 59.839 58.000 0.266 0.000 1.201 166 F CB -0.304 38.871 39.000 0.293 0.000 0.978 166 F HN -0.001 nan 8.300 nan 0.000 0.472 167 I N 0.205 120.894 120.570 0.197 0.000 2.113 167 I HA -0.459 3.711 4.170 0.000 0.000 0.242 167 I C 2.433 178.428 176.117 -0.203 0.000 1.057 167 I CA 2.077 63.352 61.300 -0.041 0.000 1.314 167 I CB -0.804 37.066 38.000 -0.217 0.000 1.022 167 I HN 0.346 nan 8.210 nan 0.000 0.408 168 Q N -0.107 119.589 119.800 -0.172 0.000 2.124 168 Q HA -0.273 4.067 4.340 0.000 0.000 0.202 168 Q C 2.098 178.005 176.000 -0.155 0.000 0.977 168 Q CA 1.673 57.384 55.803 -0.153 0.000 0.850 168 Q CB -0.130 28.548 28.738 -0.101 0.000 0.901 168 Q HN 0.374 nan 8.270 nan 0.000 0.429 169 E N 0.879 120.933 120.200 -0.242 0.000 2.150 169 E HA -0.134 4.216 4.350 0.000 0.000 0.193 169 E C 1.672 178.029 176.600 -0.405 0.000 0.985 169 E CA 0.771 56.910 56.400 -0.435 0.000 0.814 169 E CB -0.142 28.963 29.700 -0.992 0.000 0.752 169 E HN 0.293 nan 8.360 nan 0.000 0.466 170 L N -0.042 120.978 121.223 -0.338 0.000 1.994 170 L HA -0.173 4.167 4.340 0.000 0.000 0.208 170 L C 2.426 179.310 176.870 0.023 0.000 1.071 170 L CA 1.323 56.082 54.840 -0.136 0.000 0.745 170 L CB -0.429 41.685 42.059 0.092 0.000 0.892 170 L HN 0.231 nan 8.230 nan 0.000 0.431 171 I N -0.081 120.538 120.570 0.081 0.000 2.118 171 I HA -0.381 3.789 4.170 0.000 0.000 0.241 171 I C 2.385 178.519 176.117 0.030 0.000 1.070 171 I CA 1.684 63.051 61.300 0.111 0.000 1.327 171 I CB -0.556 37.481 38.000 0.062 0.000 1.034 171 I HN 0.384 nan 8.210 nan 0.000 0.405 172 N N 1.470 120.146 118.700 -0.040 0.000 2.007 172 N HA -0.227 4.513 4.740 0.000 0.000 0.197 172 N C 1.573 177.030 175.510 -0.089 0.000 1.050 172 N CA 2.101 55.112 53.050 -0.063 0.000 0.856 172 N CB -0.368 38.060 38.487 -0.098 0.000 1.050 172 N HN 0.201 nan 8.380 nan 0.000 0.423 173 N N 0.165 118.781 118.700 -0.140 0.000 2.104 173 N HA -0.100 4.640 4.740 0.000 0.000 0.190 173 N C 1.545 176.957 175.510 -0.163 0.000 1.024 173 N CA 0.824 53.775 53.050 -0.166 0.000 0.853 173 N CB -0.352 38.009 38.487 -0.209 0.000 1.008 173 N HN 0.342 nan 8.380 nan 0.000 0.424 174 I N 0.718 121.244 120.570 -0.073 0.000 2.493 174 I HA -0.062 4.108 4.170 0.000 0.000 0.254 174 I C 2.108 178.204 176.117 -0.035 0.000 1.160 174 I CA 0.389 61.696 61.300 0.012 0.000 1.445 174 I CB -1.484 36.601 38.000 0.142 0.000 1.086 174 I HN 0.012 nan 8.210 nan 0.000 0.433 175 A N 0.523 123.313 122.820 -0.049 0.000 1.872 175 A HA -0.149 4.171 4.320 0.000 0.000 0.214 175 A C 2.211 179.722 177.584 -0.122 0.000 1.187 175 A CA 1.245 53.233 52.037 -0.081 0.000 0.614 175 A CB -0.312 18.673 19.000 -0.025 0.000 0.826 175 A HN 0.131 nan 8.150 nan 0.000 0.442 176 K N -0.318 120.006 120.400 -0.127 0.000 2.365 176 K HA 0.205 4.525 4.320 0.000 0.000 0.199 176 K C 1.478 177.967 176.600 -0.185 0.000 1.045 176 K CA 1.088 57.296 56.287 -0.132 0.000 0.962 176 K CB -0.201 32.232 32.500 -0.111 0.000 0.759 176 K HN 0.438 nan 8.250 nan 0.000 0.469 177 A N -1.109 121.525 122.820 -0.310 0.000 2.358 177 A HA 0.127 4.447 4.320 0.000 0.000 0.223 177 A C 0.741 177.985 177.584 -0.566 0.000 1.218 177 A CA 0.046 51.807 52.037 -0.461 0.000 0.942 177 A CB 0.083 18.725 19.000 -0.596 0.000 1.005 177 A HN 0.209 nan 8.150 nan 0.000 0.514 178 H N -1.493 117.531 119.070 -0.077 0.000 3.622 178 H HA 0.240 4.796 4.556 0.000 0.000 0.259 178 H C 1.360 176.610 175.328 -0.130 0.000 1.145 178 H CA 0.144 56.140 56.048 -0.086 0.000 1.178 178 H CB 0.210 29.930 29.762 -0.071 0.000 1.542 178 H HN 0.588 nan 8.280 nan 0.000 0.586 179 G N 1.500 110.244 108.800 -0.094 0.000 2.273 179 G HA2 -0.205 3.755 3.960 0.000 0.000 0.280 179 G HA3 -0.205 3.755 3.960 0.000 0.000 0.280 179 G C 0.566 175.259 174.900 -0.346 0.000 1.047 179 G CA 0.453 45.424 45.100 -0.214 0.000 0.869 179 G HN 0.707 nan 8.290 nan 0.000 0.502 180 G N -1.106 107.542 108.800 -0.254 0.000 2.416 180 G HA2 0.719 4.679 3.960 0.000 0.000 0.329 180 G HA3 0.719 4.679 3.960 0.000 0.000 0.329 180 G C -0.203 174.540 174.900 -0.261 0.000 1.173 180 G CA -0.966 43.976 45.100 -0.264 0.000 0.929 180 G HN 0.137 nan 8.290 nan 0.000 0.475 181 F N 0.344 120.237 119.950 -0.095 0.000 2.291 181 F HA 0.699 5.226 4.527 0.000 0.000 0.305 181 F C 1.030 176.885 175.800 0.091 0.000 1.171 181 F CA -0.623 57.324 58.000 -0.088 0.000 1.090 181 F CB 1.512 40.272 39.000 -0.400 0.000 1.436 181 F HN 0.293 nan 8.300 nan 0.000 0.509 182 S N -0.456 115.487 115.700 0.404 0.000 2.549 182 S HA 0.741 5.211 4.470 0.000 0.000 0.280 182 S C -1.511 173.301 174.600 0.353 0.000 1.109 182 S CA -0.683 57.734 58.200 0.361 0.000 0.905 182 S CB 2.149 65.562 63.200 0.355 0.000 1.081 182 S HN 0.256 nan 8.310 nan 0.000 0.477 183 V N 2.973 123.087 119.914 0.334 0.000 2.577 183 V HA 0.518 4.638 4.120 0.000 0.000 0.303 183 V C -1.329 174.948 176.094 0.306 0.000 1.042 183 V CA -0.646 61.807 62.300 0.256 0.000 0.872 183 V CB 1.437 33.347 31.823 0.145 0.000 0.998 183 V HN 0.844 nan 8.190 nan 0.000 0.423 184 F N 3.810 123.812 119.950 0.086 0.000 2.375 184 F HA 0.638 5.165 4.527 -0.000 0.000 0.361 184 F C 0.385 176.076 175.800 -0.183 0.000 1.117 184 F CA 0.001 58.005 58.000 0.006 0.000 1.037 184 F CB 1.282 40.225 39.000 -0.096 0.000 1.192 184 F HN 0.504 nan 8.300 nan 0.000 0.452 185 T N 4.305 118.496 114.554 -0.605 0.000 2.795 185 T HA 0.542 4.892 4.350 0.000 0.000 0.282 185 T C 0.208 174.387 174.700 -0.869 0.000 0.980 185 T CA -0.622 61.116 62.100 -0.603 0.000 1.012 185 T CB 1.420 70.073 68.868 -0.358 0.000 0.936 185 T HN 0.801 nan 8.240 nan 0.000 0.457 186 G N 1.999 110.351 108.800 -0.748 0.000 2.955 186 G HA2 0.513 4.473 3.960 0.000 0.000 0.336 186 G HA3 0.513 4.473 3.960 0.000 0.000 0.336 186 G C -0.464 174.374 174.900 -0.103 0.000 1.264 186 G CA -0.455 44.399 45.100 -0.410 0.000 1.096 186 G HN 0.677 nan 8.290 nan 0.000 0.486 187 V N 2.315 122.177 119.914 -0.086 0.000 2.406 187 V HA 0.595 4.715 4.120 0.000 0.000 0.272 187 V C 1.510 177.639 176.094 0.058 0.000 1.043 187 V CA 0.894 63.198 62.300 0.006 0.000 0.915 187 V CB 0.650 32.484 31.823 0.018 0.000 0.988 187 V HN 1.236 nan 8.190 nan 0.000 0.466 188 G N 3.648 112.494 108.800 0.076 0.000 2.284 188 G HA2 -0.303 3.657 3.960 0.000 0.000 0.261 188 G HA3 -0.303 3.657 3.960 0.000 0.000 0.261 188 G C 0.377 175.332 174.900 0.091 0.000 0.997 188 G CA 0.520 45.665 45.100 0.075 0.000 0.621 188 G HN 0.757 nan 8.290 nan 0.000 0.534 189 E N 0.875 121.146 120.200 0.119 0.000 2.492 189 E HA 0.233 4.583 4.350 0.000 0.000 0.266 189 E C 0.873 177.551 176.600 0.130 0.000 1.047 189 E CA -0.337 56.150 56.400 0.144 0.000 0.968 189 E CB 0.254 30.091 29.700 0.227 0.000 0.960 189 E HN 0.485 nan 8.360 nan 0.000 0.452 190 R N 1.974 122.537 120.500 0.106 0.000 2.570 190 R HA -0.014 4.326 4.340 0.000 0.000 0.277 190 R C 1.219 177.566 176.300 0.078 0.000 1.039 190 R CA 0.313 56.459 56.100 0.078 0.000 1.065 190 R CB 0.316 30.652 30.300 0.061 0.000 0.964 190 R HN 0.611 nan 8.270 nan 0.000 0.428 191 T N 2.192 116.769 114.554 0.039 0.000 2.708 191 T HA -0.194 4.156 4.350 0.000 0.000 0.266 191 T C 1.775 176.456 174.700 -0.031 0.000 1.037 191 T CA 1.227 63.319 62.100 -0.014 0.000 1.146 191 T CB -0.157 68.697 68.868 -0.024 0.000 0.865 191 T HN 0.565 nan 8.240 nan 0.000 0.435 192 R N 1.079 121.578 120.500 -0.002 0.000 2.113 192 R HA -0.207 4.133 4.340 0.000 0.000 0.244 192 R C 2.273 178.583 176.300 0.016 0.000 1.142 192 R CA 2.030 58.133 56.100 0.004 0.000 0.953 192 R CB -0.162 30.148 30.300 0.016 0.000 0.860 192 R HN 0.542 nan 8.270 nan 0.000 0.438 193 E N -1.311 118.915 120.200 0.043 0.000 2.046 193 E HA -0.087 4.263 4.350 0.000 0.000 0.190 193 E C 1.970 178.620 176.600 0.083 0.000 0.982 193 E CA 0.914 57.356 56.400 0.072 0.000 0.800 193 E CB -0.264 29.497 29.700 0.102 0.000 0.756 193 E HN 0.586 nan 8.360 nan 0.000 0.449 194 G N 2.065 110.921 108.800 0.093 0.000 2.505 194 G HA2 -0.379 3.581 3.960 0.000 0.000 0.220 194 G HA3 -0.379 3.581 3.960 0.000 0.000 0.220 194 G C 1.443 176.247 174.900 -0.159 0.000 1.145 194 G CA 1.116 46.220 45.100 0.006 0.000 0.761 194 G HN 0.211 nan 8.290 nan 0.000 0.571 195 N N 0.936 119.558 118.700 -0.129 0.000 2.120 195 N HA -0.124 4.616 4.740 0.000 0.000 0.188 195 N C 1.569 177.102 175.510 0.040 0.000 1.024 195 N CA 1.598 54.617 53.050 -0.051 0.000 0.852 195 N CB -0.300 38.163 38.487 -0.039 0.000 1.003 195 N HN 0.178 nan 8.380 nan 0.000 0.424 196 D N 0.949 121.368 120.400 0.032 0.000 2.117 196 D HA -0.132 4.508 4.640 0.000 0.000 0.198 196 D C 2.066 178.393 176.300 0.044 0.000 0.982 196 D CA 0.420 54.444 54.000 0.041 0.000 0.828 196 D CB -0.299 40.527 40.800 0.043 0.000 0.967 196 D HN 0.272 nan 8.370 nan 0.000 0.464 197 L N 0.090 121.341 121.223 0.046 0.000 2.012 197 L HA -0.225 4.115 4.340 0.000 0.000 0.210 197 L C 2.355 179.253 176.870 0.046 0.000 1.073 197 L CA 1.522 56.367 54.840 0.009 0.000 0.748 197 L CB -0.700 41.338 42.059 -0.035 0.000 0.891 197 L HN -0.017 nan 8.230 nan 0.000 0.431 198 Y N 0.683 120.956 120.300 -0.044 0.000 2.081 198 Y HA -0.328 4.222 4.550 0.000 0.000 0.280 198 Y C 2.922 178.806 175.900 -0.026 0.000 1.163 198 Y CA 2.380 60.460 58.100 -0.034 0.000 1.135 198 Y CB -0.531 37.893 38.460 -0.059 0.000 0.970 198 Y HN 0.226 nan 8.280 nan 0.000 0.498 199 R N 0.372 120.826 120.500 -0.076 0.000 2.091 199 R HA -0.226 4.114 4.340 0.000 0.000 0.238 199 R C 2.306 178.542 176.300 -0.106 0.000 1.136 199 R CA 1.985 57.993 56.100 -0.154 0.000 0.959 199 R CB -0.424 29.843 30.300 -0.055 0.000 0.856 199 R HN 0.559 nan 8.270 nan 0.000 0.437 200 E N -0.249 119.937 120.200 -0.024 0.000 2.204 200 E HA -0.146 4.204 4.350 0.000 0.000 0.194 200 E C 1.918 178.528 176.600 0.016 0.000 0.989 200 E CA 0.893 57.321 56.400 0.048 0.000 0.824 200 E CB 0.104 29.854 29.700 0.083 0.000 0.756 200 E HN 0.389 nan 8.360 nan 0.000 0.477 201 M N -0.200 119.368 119.600 -0.052 0.000 2.288 201 M HA -0.072 4.408 4.480 0.000 0.000 0.266 201 M C 1.999 178.250 176.300 -0.082 0.000 1.072 201 M CA 1.033 56.299 55.300 -0.056 0.000 1.132 201 M CB 0.143 32.718 32.600 -0.040 0.000 1.386 201 M HN -0.059 nan 8.290 nan 0.000 0.432 202 K N 0.223 120.521 120.400 -0.169 0.000 2.062 202 K HA -0.146 4.174 4.320 0.000 0.000 0.205 202 K C 1.675 178.212 176.600 -0.105 0.000 1.051 202 K CA 1.045 57.230 56.287 -0.170 0.000 0.941 202 K CB -0.112 32.220 32.500 -0.280 0.000 0.719 202 K HN 0.283 nan 8.250 nan 0.000 0.440 203 E N -0.114 120.028 120.200 -0.097 0.000 2.463 203 E HA -0.131 4.219 4.350 0.000 0.000 0.201 203 E C 0.936 177.510 176.600 -0.043 0.000 1.045 203 E CA 0.850 57.194 56.400 -0.093 0.000 0.872 203 E CB 0.255 29.893 29.700 -0.102 0.000 0.797 203 E HN 0.108 nan 8.360 nan 0.000 0.538 204 T N -2.522 112.037 114.554 0.009 0.000 2.969 204 T HA 0.220 4.570 4.350 0.000 0.000 0.258 204 T C 0.845 175.560 174.700 0.026 0.000 0.962 204 T CA 0.614 62.757 62.100 0.071 0.000 0.903 204 T CB 0.788 69.731 68.868 0.126 0.000 1.177 204 T HN 0.324 nan 8.240 nan 0.000 0.511 205 G N 1.134 109.931 108.800 -0.005 0.000 2.176 205 G HA2 -0.319 3.641 3.960 0.000 0.000 0.253 205 G HA3 -0.319 3.641 3.960 0.000 0.000 0.253 205 G C 1.216 176.115 174.900 -0.001 0.000 0.979 205 G CA 0.872 45.968 45.100 -0.008 0.000 0.641 205 G HN 0.983 nan 8.290 nan 0.000 0.530 206 V N -1.665 118.248 119.914 -0.000 0.000 2.626 206 V HA 0.379 4.499 4.120 0.000 0.000 0.252 206 V C 1.336 177.440 176.094 0.016 0.000 1.067 206 V CA 1.500 63.804 62.300 0.007 0.000 1.081 206 V CB -0.188 31.631 31.823 -0.007 0.000 0.686 206 V HN 0.474 nan 8.190 nan 0.000 0.468 207 I N 2.305 122.876 120.570 0.003 0.000 2.362 207 I HA 0.465 4.635 4.170 0.000 0.000 0.289 207 I C -0.576 175.532 176.117 -0.014 0.000 0.994 207 I CA -0.217 61.089 61.300 0.010 0.000 1.158 207 I CB 1.420 39.438 38.000 0.029 0.000 1.315 207 I HN 0.164 nan 8.210 nan 0.000 0.451 208 N N 6.915 125.613 118.700 -0.004 0.000 2.491 208 N HA 0.356 5.096 4.740 0.000 0.000 0.274 208 N C 0.192 175.699 175.510 -0.005 0.000 1.023 208 N CA -0.428 52.615 53.050 -0.013 0.000 0.902 208 N CB 1.720 40.203 38.487 -0.008 0.000 1.267 208 N HN 0.538 nan 8.380 nan 0.000 0.503 209 L N 2.622 123.839 121.223 -0.011 0.000 2.156 209 L HA 0.008 4.348 4.340 0.000 0.000 0.208 209 L C 2.559 179.429 176.870 0.001 0.000 1.095 209 L CA 1.572 56.414 54.840 0.003 0.000 0.770 209 L CB -0.377 41.683 42.059 0.001 0.000 0.914 209 L HN 0.672 nan 8.230 nan 0.000 0.439 210 E N 0.441 120.637 120.200 -0.007 0.000 2.047 210 E HA 0.045 4.395 4.350 0.000 0.000 0.191 210 E C 1.567 178.166 176.600 -0.001 0.000 0.987 210 E CA 1.435 57.832 56.400 -0.005 0.000 0.799 210 E CB -0.651 29.043 29.700 -0.010 0.000 0.752 210 E HN 0.566 nan 8.360 nan 0.000 0.449 211 G N -1.324 107.476 108.800 -0.001 0.000 3.377 211 G HA2 0.492 4.452 3.960 0.000 0.000 0.182 211 G HA3 0.492 4.452 3.960 0.000 0.000 0.182 211 G C 0.129 175.032 174.900 0.005 0.000 1.166 211 G CA 0.499 45.601 45.100 0.003 0.000 0.771 211 G HN 0.725 nan 8.290 nan 0.000 0.701 212 E N -0.434 119.772 120.200 0.010 0.000 2.331 212 E HA 0.621 4.971 4.350 0.000 0.000 0.272 212 E C -0.482 176.128 176.600 0.017 0.000 1.036 212 E CA -0.365 56.046 56.400 0.018 0.000 0.864 212 E CB 0.997 30.719 29.700 0.036 0.000 1.035 212 E HN 0.549 nan 8.360 nan 0.000 0.408 213 S N 0.967 116.671 115.700 0.005 0.000 2.538 213 S HA 0.392 4.862 4.470 0.000 0.000 0.288 213 S C 0.336 174.938 174.600 0.004 0.000 1.108 213 S CA -0.725 57.477 58.200 0.003 0.000 0.971 213 S CB 1.666 64.860 63.200 -0.011 0.000 1.041 213 S HN 0.567 nan 8.310 nan 0.000 0.483 214 K N 0.683 121.123 120.400 0.068 0.000 2.276 214 K HA 0.246 4.566 4.320 0.000 0.000 0.198 214 K C 0.249 176.939 176.600 0.149 0.000 1.052 214 K CA 0.394 56.783 56.287 0.169 0.000 0.984 214 K CB 0.444 33.035 32.500 0.152 0.000 0.836 214 K HN 0.339 nan 8.250 nan 0.000 0.490 215 V N 1.015 120.987 119.914 0.096 0.000 2.555 215 V HA 0.610 4.730 4.120 0.000 0.000 0.302 215 V C -1.502 174.661 176.094 0.115 0.000 1.038 215 V CA -0.875 61.504 62.300 0.132 0.000 0.887 215 V CB 1.488 33.388 31.823 0.128 0.000 0.991 215 V HN 0.186 nan 8.190 nan 0.000 0.434 216 A N 7.306 130.217 122.820 0.151 0.000 2.290 216 A HA 0.806 5.126 4.320 0.000 0.000 0.310 216 A C -0.823 176.851 177.584 0.150 0.000 1.202 216 A CA -0.580 51.537 52.037 0.133 0.000 0.837 216 A CB 0.615 19.697 19.000 0.137 0.000 1.139 216 A HN 0.840 nan 8.150 nan 0.000 0.509 217 L N 3.085 124.396 121.223 0.147 0.000 2.296 217 L HA 0.558 4.898 4.340 0.000 0.000 0.286 217 L C -0.850 176.092 176.870 0.121 0.000 1.023 217 L CA -0.810 54.138 54.840 0.180 0.000 0.812 217 L CB 1.617 43.865 42.059 0.314 0.000 1.223 217 L HN 0.410 nan 8.230 nan 0.000 0.421 218 V N 3.454 123.363 119.914 -0.009 0.000 2.540 218 V HA 0.504 4.624 4.120 0.000 0.000 0.302 218 V C -0.793 175.186 176.094 -0.192 0.000 1.035 218 V CA -0.452 61.827 62.300 -0.036 0.000 0.873 218 V CB 2.000 33.773 31.823 -0.083 0.000 0.992 218 V HN 0.406 nan 8.190 nan 0.000 0.428 219 F N 1.864 121.826 119.950 0.018 0.000 2.547 219 F HA 0.735 5.262 4.527 0.000 0.000 0.316 219 F C 0.599 176.403 175.800 0.007 0.000 1.121 219 F CA -0.516 57.499 58.000 0.025 0.000 0.911 219 F CB 2.521 41.541 39.000 0.033 0.000 1.179 219 F HN 0.551 nan 8.300 nan 0.000 0.443 220 G N 3.349 112.246 108.800 0.162 0.000 4.138 220 G HA2 0.480 4.440 3.960 0.000 0.000 0.335 220 G HA3 0.480 4.440 3.960 0.000 0.000 0.335 220 G C -0.909 174.064 174.900 0.121 0.000 1.517 220 G CA -0.500 44.665 45.100 0.109 0.000 0.960 220 G HN 0.542 nan 8.290 nan 0.000 0.493 221 Q N 0.801 120.691 119.800 0.150 0.000 2.397 221 Q HA 0.392 4.732 4.340 0.000 0.000 0.193 221 Q C 1.874 177.926 176.000 0.087 0.000 1.083 221 Q CA -0.584 55.306 55.803 0.146 0.000 1.108 221 Q CB 1.119 29.934 28.738 0.129 0.000 1.172 221 Q HN 0.349 nan 8.270 nan 0.000 0.617 222 M N 1.428 121.073 119.600 0.075 0.000 2.144 222 M HA -0.234 4.246 4.480 0.000 0.000 0.260 222 M C 1.628 177.950 176.300 0.037 0.000 1.067 222 M CA 1.665 56.996 55.300 0.051 0.000 1.095 222 M CB -0.339 32.288 32.600 0.046 0.000 1.365 222 M HN 0.761 nan 8.290 nan 0.000 0.406 223 N N 0.207 118.929 118.700 0.035 0.000 2.289 223 N HA -0.117 4.623 4.740 0.000 0.000 0.184 223 N C -0.011 175.513 175.510 0.023 0.000 1.016 223 N CA 0.854 53.919 53.050 0.024 0.000 0.872 223 N CB -0.555 37.943 38.487 0.019 0.000 0.973 223 N HN 0.432 nan 8.380 nan 0.000 0.433 224 E N 2.001 122.218 120.200 0.030 0.000 2.390 224 E HA 0.198 4.548 4.350 0.000 0.000 0.261 224 E C -2.070 174.542 176.600 0.021 0.000 1.076 224 E CA -1.616 54.800 56.400 0.027 0.000 0.905 224 E CB 0.573 30.294 29.700 0.035 0.000 0.984 224 E HN 0.321 nan 8.360 nan 0.000 0.427 225 P HA 0.077 nan 4.420 nan 0.000 0.274 225 P C -2.249 175.057 177.300 0.010 0.000 1.246 225 P CA -1.346 61.761 63.100 0.012 0.000 0.795 225 P CB 0.161 31.868 31.700 0.011 0.000 1.006 226 P HA -0.250 nan 4.420 nan 0.000 0.219 226 P C 1.706 179.006 177.300 -0.001 0.000 1.161 226 P CA 2.550 65.644 63.100 -0.009 0.000 0.909 226 P CB -0.722 30.970 31.700 -0.014 0.000 0.793 227 G N -0.257 108.549 108.800 0.010 0.000 2.446 227 G HA2 -0.274 3.686 3.960 0.000 0.000 0.217 227 G HA3 -0.274 3.686 3.960 0.000 0.000 0.217 227 G C 1.713 176.633 174.900 0.034 0.000 1.168 227 G CA 1.279 46.393 45.100 0.023 0.000 0.771 227 G HN 0.391 nan 8.290 nan 0.000 0.551 228 A N 0.384 123.222 122.820 0.030 0.000 1.933 228 A HA -0.012 4.308 4.320 0.000 0.000 0.218 228 A C 2.420 180.026 177.584 0.037 0.000 1.175 228 A CA 1.817 53.874 52.037 0.033 0.000 0.628 228 A CB -0.391 18.627 19.000 0.030 0.000 0.814 228 A HN 0.355 nan 8.150 nan 0.000 0.444 229 R N -0.877 119.642 120.500 0.031 0.000 2.090 229 R HA 0.019 4.359 4.340 0.000 0.000 0.228 229 R C 2.300 178.633 176.300 0.054 0.000 1.110 229 R CA 1.054 57.175 56.100 0.035 0.000 0.973 229 R CB -0.306 30.003 30.300 0.016 0.000 0.869 229 R HN 0.491 nan 8.270 nan 0.000 0.440 230 A N 0.342 123.184 122.820 0.037 0.000 2.119 230 A HA -0.053 4.267 4.320 0.000 0.000 0.217 230 A C 1.677 179.360 177.584 0.165 0.000 1.153 230 A CA 0.938 53.005 52.037 0.051 0.000 0.692 230 A CB 0.007 18.997 19.000 -0.016 0.000 0.799 230 A HN 0.096 nan 8.150 nan 0.000 0.458 231 R N -0.793 119.769 120.500 0.104 0.000 2.307 231 R HA 0.074 4.414 4.340 0.000 0.000 0.200 231 R C 1.835 178.137 176.300 0.003 0.000 0.893 231 R CA 1.165 57.303 56.100 0.063 0.000 1.042 231 R CB -0.572 29.760 30.300 0.054 0.000 1.059 231 R HN 0.476 nan 8.270 nan 0.000 0.530 232 V N 0.105 120.026 119.914 0.013 0.000 2.392 232 V HA -0.162 3.958 4.120 0.000 0.000 0.249 232 V C 2.535 178.572 176.094 -0.095 0.000 1.059 232 V CA 1.845 64.124 62.300 -0.034 0.000 1.051 232 V CB -1.281 30.529 31.823 -0.021 0.000 0.658 232 V HN 0.142 nan 8.190 nan 0.000 0.455 233 A N 1.170 123.925 122.820 -0.109 0.000 1.892 233 A HA -0.154 4.166 4.320 0.000 0.000 0.218 233 A C 2.266 179.713 177.584 -0.228 0.000 1.188 233 A CA 2.348 54.245 52.037 -0.233 0.000 0.631 233 A CB -0.719 18.020 19.000 -0.436 0.000 0.822 233 A HN 0.561 nan 8.150 nan 0.000 0.447 234 L N -0.775 120.329 121.223 -0.200 0.000 2.079 234 L HA -0.177 4.163 4.340 0.000 0.000 0.210 234 L C 2.748 179.507 176.870 -0.186 0.000 1.081 234 L CA 1.764 56.475 54.840 -0.215 0.000 0.752 234 L CB -1.307 40.584 42.059 -0.279 0.000 0.896 234 L HN 0.374 nan 8.230 nan 0.000 0.433 235 T N 0.006 114.469 114.554 -0.152 0.000 2.674 235 T HA -0.125 4.225 4.350 0.000 0.000 0.265 235 T C 1.932 176.558 174.700 -0.123 0.000 1.039 235 T CA 1.441 63.468 62.100 -0.123 0.000 1.150 235 T CB -0.665 68.150 68.868 -0.088 0.000 0.864 235 T HN 0.547 nan 8.240 nan 0.000 0.427 236 G N 1.549 110.271 108.800 -0.131 0.000 2.476 236 G HA2 -0.199 3.761 3.960 0.000 0.000 0.218 236 G HA3 -0.199 3.761 3.960 0.000 0.000 0.218 236 G C 1.561 176.388 174.900 -0.122 0.000 1.164 236 G CA 1.107 46.131 45.100 -0.125 0.000 0.768 236 G HN 0.445 nan 8.290 nan 0.000 0.560 237 L N 0.816 121.950 121.223 -0.148 0.000 2.056 237 L HA 0.016 4.356 4.340 0.000 0.000 0.207 237 L C 2.882 179.678 176.870 -0.122 0.000 1.078 237 L CA 2.616 57.371 54.840 -0.141 0.000 0.749 237 L CB -0.874 41.081 42.059 -0.173 0.000 0.901 237 L HN 0.183 nan 8.230 nan 0.000 0.433 238 T N 0.170 114.647 114.554 -0.128 0.000 2.720 238 T HA -0.167 4.183 4.350 0.000 0.000 0.268 238 T C 1.944 176.567 174.700 -0.129 0.000 1.037 238 T CA 2.109 64.142 62.100 -0.113 0.000 1.144 238 T CB -0.417 68.383 68.868 -0.114 0.000 0.864 238 T HN 0.363 nan 8.240 nan 0.000 0.444 239 I N 1.334 121.808 120.570 -0.161 0.000 2.252 239 I HA -0.148 4.022 4.170 0.000 0.000 0.245 239 I C 2.953 178.882 176.117 -0.314 0.000 1.102 239 I CA 1.009 62.159 61.300 -0.251 0.000 1.385 239 I CB -0.535 37.350 38.000 -0.192 0.000 1.064 239 I HN 0.195 nan 8.210 nan 0.000 0.414 240 A N 0.749 123.479 122.820 -0.149 0.000 1.877 240 A HA -0.239 4.081 4.320 0.000 0.000 0.216 240 A C 2.210 179.765 177.584 -0.048 0.000 1.186 240 A CA 1.801 53.807 52.037 -0.051 0.000 0.620 240 A CB -0.668 18.322 19.000 -0.017 0.000 0.822 240 A HN 0.421 nan 8.150 nan 0.000 0.443 241 E N -1.634 118.528 120.200 -0.063 0.000 2.097 241 E HA -0.263 4.087 4.350 0.000 0.000 0.196 241 E C 1.851 178.440 176.600 -0.017 0.000 1.000 241 E CA 1.639 58.019 56.400 -0.035 0.000 0.804 241 E CB -0.375 29.301 29.700 -0.039 0.000 0.740 241 E HN 0.744 nan 8.360 nan 0.000 0.454 242 Y N 0.340 120.527 120.300 -0.189 0.000 2.114 242 Y HA -0.291 4.259 4.550 0.000 0.000 0.282 242 Y C 1.853 177.731 175.900 -0.037 0.000 1.165 242 Y CA 1.690 59.684 58.100 -0.176 0.000 1.148 242 Y CB -0.230 38.044 38.460 -0.309 0.000 0.972 242 Y HN 0.007 nan 8.280 nan 0.000 0.504 243 F N -0.061 119.973 119.950 0.141 0.000 2.269 243 F HA -0.115 4.412 4.527 0.000 0.000 0.301 243 F C 2.603 178.395 175.800 -0.013 0.000 1.082 243 F CA 1.506 59.562 58.000 0.094 0.000 1.360 243 F CB -1.038 38.087 39.000 0.209 0.000 1.041 243 F HN 0.049 nan 8.300 nan 0.000 0.512 244 R N 0.688 121.268 120.500 0.133 0.000 2.055 244 R HA -0.123 4.217 4.340 0.000 0.000 0.228 244 R C 1.600 177.879 176.300 -0.036 0.000 1.143 244 R CA 1.956 58.076 56.100 0.033 0.000 0.945 244 R CB -0.416 29.889 30.300 0.007 0.000 0.841 244 R HN 0.066 nan 8.270 nan 0.000 0.429 245 D N -0.331 120.018 120.400 -0.085 0.000 2.312 245 D HA -0.108 4.532 4.640 0.000 0.000 0.211 245 D C 1.334 177.518 176.300 -0.193 0.000 0.964 245 D CA 1.029 54.955 54.000 -0.123 0.000 0.877 245 D CB 0.225 40.957 40.800 -0.113 0.000 0.924 245 D HN 0.330 nan 8.370 nan 0.000 0.515 246 E N -0.029 119.997 120.200 -0.290 0.000 2.367 246 E HA 0.074 4.424 4.350 0.000 0.000 0.204 246 E C 1.153 177.654 176.600 -0.166 0.000 0.840 246 E CA 0.340 56.512 56.400 -0.380 0.000 1.051 246 E CB 0.521 29.589 29.700 -1.053 0.000 1.051 246 E HN 0.050 nan 8.360 nan 0.000 0.509 247 E N -0.666 119.496 120.200 -0.064 0.000 2.526 247 E HA 0.221 4.571 4.350 0.000 0.000 0.208 247 E C 0.095 176.687 176.600 -0.013 0.000 0.997 247 E CA 0.293 56.699 56.400 0.010 0.000 0.961 247 E CB 0.981 30.742 29.700 0.101 0.000 1.030 247 E HN 0.280 nan 8.360 nan 0.000 0.483 248 G N 2.763 111.548 108.800 -0.024 0.000 2.295 248 G HA2 -0.306 3.654 3.960 0.000 0.000 0.287 248 G HA3 -0.306 3.654 3.960 0.000 0.000 0.287 248 G C -0.097 174.785 174.900 -0.030 0.000 1.055 248 G CA 0.394 45.475 45.100 -0.031 0.000 0.922 248 G HN 0.199 nan 8.290 nan 0.000 0.503 249 Q N -0.528 119.266 119.800 -0.009 0.000 2.215 249 Q HA 0.464 4.804 4.340 0.000 0.000 0.256 249 Q C -0.823 175.166 176.000 -0.019 0.000 0.972 249 Q CA -0.913 54.873 55.803 -0.028 0.000 0.889 249 Q CB 1.187 29.906 28.738 -0.031 0.000 1.281 249 Q HN 0.236 nan 8.270 nan 0.000 0.456 250 D N 1.427 121.801 120.400 -0.042 0.000 2.359 250 D HA 0.278 4.918 4.640 0.000 0.000 0.230 250 D C -1.014 175.286 176.300 -0.001 0.000 1.118 250 D CA -0.064 53.908 54.000 -0.047 0.000 0.844 250 D CB 1.272 41.998 40.800 -0.124 0.000 1.059 250 D HN 0.090 nan 8.370 nan 0.000 0.493 251 V N 3.040 122.974 119.914 0.033 0.000 2.581 251 V HA 0.403 4.523 4.120 0.000 0.000 0.303 251 V C 0.405 176.528 176.094 0.047 0.000 1.041 251 V CA -0.932 61.427 62.300 0.098 0.000 0.907 251 V CB 1.948 33.885 31.823 0.191 0.000 0.994 251 V HN 0.331 nan 8.190 nan 0.000 0.442 252 L N 4.641 125.909 121.223 0.076 0.000 2.312 252 L HA 0.603 4.943 4.340 0.000 0.000 0.281 252 L C -0.650 176.212 176.870 -0.013 0.000 1.070 252 L CA -0.456 54.363 54.840 -0.034 0.000 0.805 252 L CB 1.503 43.581 42.059 0.032 0.000 1.174 252 L HN 0.525 nan 8.230 nan 0.000 0.434 253 L N 3.548 124.650 121.223 -0.202 0.000 2.404 253 L HA 0.539 4.879 4.340 0.000 0.000 0.272 253 L C -1.342 175.356 176.870 -0.287 0.000 0.980 253 L CA 0.073 54.840 54.840 -0.121 0.000 0.836 253 L CB 1.198 43.187 42.059 -0.116 0.000 1.238 253 L HN 0.182 nan 8.230 nan 0.000 0.408 254 F N 5.730 125.613 119.950 -0.113 0.000 2.408 254 F HA 0.573 5.100 4.527 0.000 0.000 0.344 254 F C 0.077 175.625 175.800 -0.420 0.000 1.112 254 F CA -0.394 57.484 58.000 -0.204 0.000 1.096 254 F CB 1.248 40.208 39.000 -0.067 0.000 1.129 254 F HN 0.253 nan 8.300 nan 0.000 0.486 255 I N 2.950 123.392 120.570 -0.213 0.000 2.362 255 I HA 0.305 4.475 4.170 0.000 0.000 0.289 255 I C -1.073 174.906 176.117 -0.230 0.000 0.994 255 I CA -0.346 60.781 61.300 -0.288 0.000 1.158 255 I CB 1.611 39.456 38.000 -0.258 0.000 1.315 255 I HN 0.455 nan 8.210 nan 0.000 0.451 256 D N 6.169 126.393 120.400 -0.294 0.000 2.602 256 D HA 0.208 4.848 4.640 0.000 0.000 0.245 256 D C -1.270 175.003 176.300 -0.045 0.000 1.325 256 D CA -0.431 53.498 54.000 -0.118 0.000 0.952 256 D CB 1.173 41.941 40.800 -0.053 0.000 1.317 256 D HN 0.340 nan 8.370 nan 0.000 0.577 257 N N 3.908 122.632 118.700 0.040 0.000 2.399 257 N HA 0.189 4.929 4.740 0.000 0.000 0.295 257 N C 1.035 176.609 175.510 0.107 0.000 1.048 257 N CA -0.478 52.623 53.050 0.085 0.000 0.886 257 N CB 1.650 40.237 38.487 0.167 0.000 1.185 257 N HN 0.514 nan 8.380 nan 0.000 0.487 258 I N 4.130 124.751 120.570 0.084 0.000 2.361 258 I HA -0.180 3.990 4.170 0.000 0.000 0.251 258 I C 1.762 178.033 176.117 0.257 0.000 1.133 258 I CA 1.262 62.631 61.300 0.115 0.000 1.413 258 I CB -0.293 37.715 38.000 0.015 0.000 1.073 258 I HN 0.622 nan 8.210 nan 0.000 0.424 259 F N 1.769 121.813 119.950 0.156 0.000 2.126 259 F HA -0.214 4.313 4.527 0.000 0.000 0.299 259 F C 2.454 178.359 175.800 0.176 0.000 1.096 259 F CA 1.745 59.863 58.000 0.196 0.000 1.255 259 F CB -0.449 38.722 39.000 0.286 0.000 0.997 259 F HN -0.040 nan 8.300 nan 0.000 0.479 260 R N -0.709 119.827 120.500 0.061 0.000 2.189 260 R HA -0.156 4.184 4.340 0.000 0.000 0.223 260 R C 2.191 178.446 176.300 -0.076 0.000 1.092 260 R CA 1.328 57.382 56.100 -0.077 0.000 0.989 260 R CB -0.893 29.461 30.300 0.090 0.000 0.876 260 R HN 0.463 nan 8.270 nan 0.000 0.457 261 F N 1.724 121.604 119.950 -0.116 0.000 2.113 261 F HA -0.166 4.361 4.527 0.000 0.000 0.297 261 F C 2.020 177.743 175.800 -0.128 0.000 1.103 261 F CA 1.641 59.577 58.000 -0.106 0.000 1.248 261 F CB -0.569 38.379 39.000 -0.088 0.000 0.999 261 F HN -0.202 nan 8.300 nan 0.000 0.475 262 T N 0.559 114.825 114.554 -0.481 0.000 2.652 262 T HA -0.292 4.058 4.350 0.000 0.000 0.267 262 T C 1.948 176.389 174.700 -0.432 0.000 1.039 262 T CA 1.790 63.564 62.100 -0.545 0.000 1.153 262 T CB -0.574 68.149 68.868 -0.242 0.000 0.863 262 T HN 0.470 nan 8.240 nan 0.000 0.428 263 Q N 0.630 120.123 119.800 -0.512 0.000 2.181 263 Q HA -0.128 4.212 4.340 0.000 0.000 0.205 263 Q C 2.401 178.257 176.000 -0.241 0.000 0.980 263 Q CA 1.435 57.001 55.803 -0.395 0.000 0.862 263 Q CB -0.271 28.105 28.738 -0.604 0.000 0.905 263 Q HN 0.552 nan 8.270 nan 0.000 0.429 264 A N 0.520 123.191 122.820 -0.248 0.000 1.877 264 A HA -0.094 4.226 4.320 0.000 0.000 0.216 264 A C 2.290 179.775 177.584 -0.166 0.000 1.186 264 A CA 1.592 53.531 52.037 -0.163 0.000 0.620 264 A CB -1.300 17.624 19.000 -0.126 0.000 0.822 264 A HN 0.584 nan 8.150 nan 0.000 0.443 265 G N -0.736 107.908 108.800 -0.260 0.000 2.446 265 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 265 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 265 G C 1.923 176.751 174.900 -0.119 0.000 1.168 265 G CA 1.652 46.625 45.100 -0.212 0.000 0.771 265 G HN 0.595 nan 8.290 nan 0.000 0.551 266 S N 0.461 116.100 115.700 -0.101 0.000 2.378 266 S HA -0.230 4.240 4.470 0.000 0.000 0.229 266 S C 2.249 176.813 174.600 -0.059 0.000 1.052 266 S CA 2.251 60.425 58.200 -0.043 0.000 1.084 266 S CB -0.414 62.764 63.200 -0.036 0.000 0.950 266 S HN 0.611 nan 8.310 nan 0.000 0.440 267 E N -0.258 119.899 120.200 -0.073 0.000 2.077 267 E HA -0.092 4.258 4.350 0.000 0.000 0.193 267 E C 2.226 178.802 176.600 -0.039 0.000 0.989 267 E CA 1.408 57.776 56.400 -0.053 0.000 0.800 267 E CB -0.268 29.402 29.700 -0.051 0.000 0.746 267 E HN 0.418 nan 8.360 nan 0.000 0.452 268 V N 0.871 120.759 119.914 -0.044 0.000 2.287 268 V HA -0.279 3.841 4.120 0.000 0.000 0.248 268 V C 2.437 178.518 176.094 -0.021 0.000 1.053 268 V CA 1.952 64.235 62.300 -0.028 0.000 1.027 268 V CB -0.501 31.305 31.823 -0.028 0.000 0.646 268 V HN 0.247 nan 8.190 nan 0.000 0.447 269 S N -0.521 115.163 115.700 -0.026 0.000 2.353 269 S HA -0.213 4.257 4.470 0.000 0.000 0.222 269 S C 2.184 176.778 174.600 -0.011 0.000 1.035 269 S CA 1.697 59.889 58.200 -0.014 0.000 1.025 269 S CB -0.430 62.764 63.200 -0.011 0.000 0.902 269 S HN 0.629 nan 8.310 nan 0.000 0.440 270 A N 1.800 124.610 122.820 -0.016 0.000 1.873 270 A HA -0.058 4.262 4.320 0.000 0.000 0.218 270 A C 2.157 179.735 177.584 -0.010 0.000 1.193 270 A CA 1.677 53.705 52.037 -0.015 0.000 0.629 270 A CB -0.991 17.994 19.000 -0.024 0.000 0.826 270 A HN 0.584 nan 8.150 nan 0.000 0.447 271 L N -0.865 120.352 121.223 -0.012 0.000 2.353 271 L HA -0.093 4.247 4.340 0.000 0.000 0.220 271 L C 2.004 178.873 176.870 -0.002 0.000 1.133 271 L CA 0.703 55.539 54.840 -0.006 0.000 0.798 271 L CB -0.495 41.560 42.059 -0.007 0.000 0.922 271 L HN 0.383 nan 8.230 nan 0.000 0.445 272 L N -0.417 120.805 121.223 -0.002 0.000 2.591 272 L HA 0.098 4.438 4.340 0.000 0.000 0.228 272 L C 1.489 178.361 176.870 0.004 0.000 1.133 272 L CA 0.477 55.318 54.840 0.003 0.000 0.880 272 L CB -0.243 41.817 42.059 0.002 0.000 1.033 272 L HN 0.476 nan 8.230 nan 0.000 0.450 273 G N 0.638 109.439 108.800 0.002 0.000 2.148 273 G HA2 -0.311 3.649 3.960 0.000 0.000 0.254 273 G HA3 -0.311 3.649 3.960 0.000 0.000 0.254 273 G C 0.379 175.280 174.900 0.003 0.000 0.981 273 G CA -0.093 45.008 45.100 0.002 0.000 0.670 273 G HN 0.353 nan 8.290 nan 0.000 0.528 274 R N -0.371 120.131 120.500 0.003 0.000 2.590 274 R HA 0.417 4.757 4.340 0.000 0.000 0.274 274 R C 1.021 177.324 176.300 0.006 0.000 1.061 274 R CA -0.318 55.785 56.100 0.005 0.000 1.081 274 R CB 0.502 30.805 30.300 0.005 0.000 0.984 274 R HN 0.352 nan 8.270 nan 0.000 0.448 275 I N 5.054 125.628 120.570 0.008 0.000 2.598 275 I HA 0.032 4.202 4.170 0.000 0.000 0.284 275 I C -1.769 174.357 176.117 0.014 0.000 1.140 275 I CA -1.522 59.783 61.300 0.009 0.000 1.420 275 I CB 0.377 38.384 38.000 0.010 0.000 1.387 275 I HN 0.294 nan 8.210 nan 0.000 0.553 276 P HA 0.122 nan 4.420 nan 0.000 0.272 276 P C -0.290 177.031 177.300 0.035 0.000 1.223 276 P CA -0.179 62.934 63.100 0.021 0.000 0.784 276 P CB 0.933 32.637 31.700 0.007 0.000 0.923 277 S N 0.869 116.604 115.700 0.059 0.000 2.566 277 S HA 0.652 5.122 4.470 0.000 0.000 0.277 277 S C -0.161 174.492 174.600 0.088 0.000 1.150 277 S CA -0.481 57.762 58.200 0.072 0.000 1.032 277 S CB 0.015 63.267 63.200 0.086 0.000 1.157 277 S HN 0.518 nan 8.310 nan 0.000 0.507 278 A N 0.294 123.173 122.820 0.098 0.000 2.531 278 A HA 0.384 4.704 4.320 0.000 0.000 0.236 278 A C 0.950 178.636 177.584 0.169 0.000 1.062 278 A CA 0.333 52.433 52.037 0.105 0.000 0.760 278 A CB -0.698 18.355 19.000 0.089 0.000 0.995 278 A HN 1.575 nan 8.150 nan 0.000 0.501 279 V N 1.188 121.173 119.914 0.119 0.000 3.525 279 V HA -0.309 3.811 4.120 0.000 0.000 0.200 279 V C 1.762 177.851 176.094 -0.010 0.000 0.451 279 V CA 1.760 64.126 62.300 0.110 0.000 1.037 279 V CB -2.433 29.526 31.823 0.227 0.000 1.164 279 V HN 2.918 nan 8.190 nan 0.000 1.195 280 G N -2.921 105.871 108.800 -0.014 0.000 2.175 280 G HA2 -0.315 3.645 3.960 0.000 0.000 0.244 280 G HA3 -0.315 3.645 3.960 0.000 0.000 0.244 280 G C -0.128 174.689 174.900 -0.138 0.000 0.982 280 G CA 0.243 45.277 45.100 -0.110 0.000 0.641 280 G HN 0.808 nan 8.290 nan 0.000 0.527 281 Y N 1.739 122.052 120.300 0.022 0.000 2.295 281 Y HA 0.465 5.015 4.550 0.000 0.000 0.331 281 Y C 1.335 177.230 175.900 -0.008 0.000 1.311 281 Y CA -0.058 58.045 58.100 0.006 0.000 1.430 281 Y CB 0.372 38.842 38.460 0.017 0.000 1.339 281 Y HN 0.353 nan 8.280 nan 0.000 0.552 282 Q N 3.418 123.324 119.800 0.176 0.000 2.330 282 Q HA 0.053 4.393 4.340 0.000 0.000 0.279 282 Q C -2.310 173.732 176.000 0.069 0.000 1.024 282 Q CA -1.574 54.275 55.803 0.077 0.000 0.900 282 Q CB 0.870 29.627 28.738 0.030 0.000 1.221 282 Q HN 0.407 nan 8.270 nan 0.000 0.396 283 P HA -0.069 nan 4.420 nan 0.000 0.236 283 P C 0.410 177.726 177.300 0.026 0.000 1.172 283 P CA 0.964 64.085 63.100 0.036 0.000 0.759 283 P CB -0.090 31.626 31.700 0.026 0.000 0.843 284 T N -4.671 109.896 114.554 0.021 0.000 3.252 284 T HA 0.159 4.509 4.350 0.000 0.000 0.286 284 T C 1.203 175.910 174.700 0.012 0.000 1.013 284 T CA -0.395 61.714 62.100 0.015 0.000 0.914 284 T CB -0.579 68.295 68.868 0.010 0.000 1.131 284 T HN -0.168 nan 8.240 nan 0.000 0.529 285 L N 2.177 123.405 121.223 0.008 0.000 2.021 285 L HA 0.021 4.361 4.340 0.000 0.000 0.215 285 L C 2.573 179.451 176.870 0.014 0.000 1.074 285 L CA 2.415 57.245 54.840 -0.016 0.000 0.760 285 L CB -1.133 40.894 42.059 -0.052 0.000 0.889 285 L HN 0.407 nan 8.230 nan 0.000 0.433 286 A N -1.220 121.620 122.820 0.032 0.000 1.855 286 A HA -0.202 4.118 4.320 0.000 0.000 0.215 286 A C 2.326 179.964 177.584 0.091 0.000 1.191 286 A CA 2.595 54.673 52.037 0.069 0.000 0.613 286 A CB -1.405 17.626 19.000 0.052 0.000 0.829 286 A HN 0.631 nan 8.150 nan 0.000 0.442 287 T N -2.040 112.551 114.554 0.063 0.000 2.821 287 T HA -0.122 4.228 4.350 0.000 0.000 0.267 287 T C 1.356 176.098 174.700 0.069 0.000 1.046 287 T CA 1.424 63.561 62.100 0.061 0.000 1.139 287 T CB -0.478 68.414 68.868 0.041 0.000 0.871 287 T HN 0.337 nan 8.240 nan 0.000 0.454 288 D N 1.113 121.552 120.400 0.065 0.000 2.092 288 D HA -0.063 4.577 4.640 0.000 0.000 0.193 288 D C 1.965 178.378 176.300 0.189 0.000 0.994 288 D CA 1.231 55.287 54.000 0.094 0.000 0.828 288 D CB -0.469 40.335 40.800 0.007 0.000 0.963 288 D HN 0.307 nan 8.370 nan 0.000 0.450 289 M N 0.806 120.507 119.600 0.168 0.000 2.086 289 M HA -0.028 4.452 4.480 0.000 0.000 0.261 289 M C 2.005 178.286 176.300 -0.032 0.000 1.067 289 M CA 2.002 57.408 55.300 0.175 0.000 1.116 289 M CB -0.862 31.838 32.600 0.166 0.000 1.348 289 M HN 0.021 nan 8.290 nan 0.000 0.407 290 G N 0.218 109.036 108.800 0.029 0.000 2.476 290 G HA2 -0.220 3.740 3.960 0.000 0.000 0.218 290 G HA3 -0.220 3.740 3.960 0.000 0.000 0.218 290 G C 1.525 176.393 174.900 -0.053 0.000 1.164 290 G CA 1.215 46.311 45.100 -0.007 0.000 0.768 290 G HN 0.507 nan 8.290 nan 0.000 0.560 291 L N -0.219 121.006 121.223 0.004 0.000 2.362 291 L HA 0.034 4.374 4.340 0.000 0.000 0.219 291 L C 2.564 179.408 176.870 -0.044 0.000 1.134 291 L CA 0.338 55.181 54.840 0.005 0.000 0.807 291 L CB -0.133 41.958 42.059 0.053 0.000 0.927 291 L HN 0.310 nan 8.230 nan 0.000 0.447 292 L N -1.357 119.807 121.223 -0.098 0.000 2.200 292 L HA -0.033 4.307 4.340 0.000 0.000 0.200 292 L C 2.477 179.201 176.870 -0.243 0.000 1.072 292 L CA 1.286 56.000 54.840 -0.209 0.000 0.787 292 L CB -0.419 41.407 42.059 -0.389 0.000 0.957 292 L HN 0.055 nan 8.230 nan 0.000 0.459 293 Q N 0.160 119.778 119.800 -0.304 0.000 2.119 293 Q HA -0.144 4.196 4.340 0.000 0.000 0.201 293 Q C 1.997 177.879 176.000 -0.196 0.000 0.972 293 Q CA 1.280 56.883 55.803 -0.334 0.000 0.847 293 Q CB -0.293 28.050 28.738 -0.658 0.000 0.903 293 Q HN 0.590 nan 8.270 nan 0.000 0.433 294 E N 0.682 120.796 120.200 -0.142 0.000 2.338 294 E HA -0.117 4.233 4.350 0.000 0.000 0.197 294 E C 1.732 178.303 176.600 -0.048 0.000 1.007 294 E CA 0.498 56.869 56.400 -0.048 0.000 0.849 294 E CB 0.012 29.711 29.700 -0.003 0.000 0.774 294 E HN 0.312 nan 8.360 nan 0.000 0.506 295 R N -0.041 120.413 120.500 -0.077 0.000 2.275 295 R HA 0.155 4.495 4.340 0.000 0.000 0.199 295 R C 0.697 176.949 176.300 -0.080 0.000 0.989 295 R CA 0.134 56.191 56.100 -0.071 0.000 1.016 295 R CB 0.237 30.488 30.300 -0.082 0.000 0.918 295 R HN 0.039 nan 8.270 nan 0.000 0.473 296 I N 1.286 121.797 120.570 -0.098 0.000 2.281 296 I HA 0.117 4.287 4.170 0.000 0.000 0.293 296 I C 0.050 176.123 176.117 -0.074 0.000 1.085 296 I CA 0.104 61.344 61.300 -0.100 0.000 1.257 296 I CB 1.272 39.190 38.000 -0.137 0.000 1.430 296 I HN -0.098 nan 8.210 nan 0.000 0.489 297 T N 2.864 117.381 114.554 -0.061 0.000 2.733 297 T HA 0.282 4.632 4.350 0.000 0.000 0.312 297 T C -0.623 174.048 174.700 -0.048 0.000 1.590 297 T CA -0.470 61.602 62.100 -0.047 0.000 1.005 297 T CB 1.507 70.356 68.868 -0.032 0.000 1.528 297 T HN 0.344 nan 8.240 nan 0.000 0.496 298 T N 3.082 117.609 114.554 -0.046 0.000 2.869 298 T HA 0.604 4.954 4.350 0.000 0.000 0.295 298 T C 0.337 175.006 174.700 -0.051 0.000 0.987 298 T CA -0.291 61.779 62.100 -0.050 0.000 1.109 298 T CB 0.738 69.576 68.868 -0.050 0.000 0.932 298 T HN 0.865 nan 8.240 nan 0.000 0.518 299 T N -1.212 113.312 114.554 -0.051 0.000 2.888 299 T HA 0.686 5.036 4.350 0.000 0.000 0.288 299 T C 1.611 176.279 174.700 -0.052 0.000 1.063 299 T CA -0.488 61.580 62.100 -0.053 0.000 1.010 299 T CB 1.032 69.871 68.868 -0.048 0.000 1.214 299 T HN 0.412 nan 8.240 nan 0.000 0.533 300 K N 0.378 120.747 120.400 -0.053 0.000 2.160 300 K HA -0.117 4.203 4.320 0.000 0.000 0.206 300 K C 2.061 178.634 176.600 -0.044 0.000 1.047 300 K CA 1.759 58.017 56.287 -0.048 0.000 0.930 300 K CB -1.129 31.343 32.500 -0.046 0.000 0.720 300 K HN 0.614 nan 8.250 nan 0.000 0.450 301 K N -1.199 119.174 120.400 -0.045 0.000 2.062 301 K HA 0.095 4.415 4.320 0.000 0.000 0.205 301 K C 1.422 177.997 176.600 -0.042 0.000 1.051 301 K CA 1.248 57.509 56.287 -0.044 0.000 0.941 301 K CB 0.273 32.743 32.500 -0.049 0.000 0.719 301 K HN 0.582 nan 8.250 nan 0.000 0.440 302 G N -0.425 108.349 108.800 -0.042 0.000 2.512 302 G HA2 0.239 4.199 3.960 0.000 0.000 0.186 302 G HA3 0.239 4.199 3.960 0.000 0.000 0.186 302 G C -1.432 173.442 174.900 -0.044 0.000 1.189 302 G CA 0.072 45.148 45.100 -0.041 0.000 0.994 302 G HN 0.204 nan 8.290 nan 0.000 0.506 303 S N -1.770 113.907 115.700 -0.038 0.000 2.567 303 S HA 0.642 5.112 4.470 0.000 0.000 0.270 303 S C -1.671 172.910 174.600 -0.032 0.000 1.152 303 S CA -0.571 57.603 58.200 -0.043 0.000 0.835 303 S CB 1.680 64.845 63.200 -0.059 0.000 1.115 303 S HN 1.306 nan 8.310 nan 0.000 0.459 304 V N 2.113 122.001 119.914 -0.044 0.000 2.357 304 V HA 0.574 4.694 4.120 0.000 0.000 0.284 304 V C -0.235 175.808 176.094 -0.084 0.000 1.018 304 V CA -0.309 61.961 62.300 -0.050 0.000 0.841 304 V CB 1.317 33.106 31.823 -0.056 0.000 0.991 304 V HN 1.017 nan 8.190 nan 0.000 0.437 305 T N 3.482 117.977 114.554 -0.099 0.000 2.795 305 T HA 0.429 4.779 4.350 0.000 0.000 0.282 305 T C -0.040 174.524 174.700 -0.226 0.000 0.980 305 T CA -0.237 61.776 62.100 -0.145 0.000 1.012 305 T CB 1.481 70.277 68.868 -0.120 0.000 0.936 305 T HN 0.581 nan 8.240 nan 0.000 0.457 306 S N 2.088 117.627 115.700 -0.268 0.000 2.482 306 S HA 0.625 5.095 4.470 0.000 0.000 0.303 306 S C -0.555 173.794 174.600 -0.417 0.000 1.091 306 S CA -0.641 57.356 58.200 -0.339 0.000 1.057 306 S CB 0.697 63.736 63.200 -0.269 0.000 1.031 306 S HN 0.474 nan 8.310 nan 0.000 0.485 307 V N 5.589 125.181 119.914 -0.535 0.000 2.347 307 V HA 0.459 4.579 4.120 0.000 0.000 0.280 307 V C -0.436 175.513 176.094 -0.241 0.000 1.021 307 V CA -0.521 61.525 62.300 -0.423 0.000 0.847 307 V CB 1.294 32.845 31.823 -0.454 0.000 0.990 307 V HN 0.846 nan 8.190 nan 0.000 0.444 308 Q N 3.210 122.886 119.800 -0.206 0.000 2.327 308 Q HA 0.675 5.015 4.340 0.000 0.000 0.270 308 Q C -0.193 175.697 176.000 -0.184 0.000 1.022 308 Q CA -0.522 55.174 55.803 -0.179 0.000 0.773 308 Q CB 2.270 30.882 28.738 -0.210 0.000 1.251 308 Q HN 0.889 nan 8.270 nan 0.000 0.457 309 A N 2.719 125.479 122.820 -0.099 0.000 2.451 309 A HA 0.369 4.689 4.320 0.000 0.000 0.266 309 A C -0.224 177.282 177.584 -0.130 0.000 1.119 309 A CA -0.228 51.750 52.037 -0.098 0.000 0.786 309 A CB 0.282 19.299 19.000 0.027 0.000 1.061 309 A HN 0.518 nan 8.150 nan 0.000 0.503 310 V N 4.434 124.164 119.914 -0.307 0.000 2.334 310 V HA 0.166 4.286 4.120 0.000 0.000 0.281 310 V C -0.577 175.545 176.094 0.047 0.000 1.016 310 V CA -0.430 61.753 62.300 -0.194 0.000 0.832 310 V CB 0.834 32.382 31.823 -0.457 0.000 0.999 310 V HN 0.771 nan 8.190 nan 0.000 0.439 311 Y N 5.586 125.920 120.300 0.056 0.000 2.365 311 Y HA 0.484 5.034 4.550 0.000 0.000 0.340 311 Y C -0.019 175.861 175.900 -0.034 0.000 1.016 311 Y CA -0.492 57.615 58.100 0.013 0.000 1.196 311 Y CB 1.304 39.734 38.460 -0.049 0.000 1.167 311 Y HN 0.397 nan 8.280 nan 0.000 0.509 312 V N 9.974 129.590 119.914 -0.497 0.000 2.320 312 V HA 0.274 4.394 4.120 0.000 0.000 0.265 312 V C -2.184 173.423 176.094 -0.812 0.000 1.048 312 V CA -2.022 60.037 62.300 -0.402 0.000 0.865 312 V CB 0.409 32.201 31.823 -0.051 0.000 1.043 312 V HN 0.725 nan 8.190 nan 0.000 0.474 313 P HA 0.206 nan 4.420 nan 0.000 0.267 313 P C 0.557 177.694 177.300 -0.272 0.000 1.205 313 P CA 0.438 63.171 63.100 -0.611 0.000 0.765 313 P CB 0.748 32.275 31.700 -0.289 0.000 0.828 314 A N 3.812 126.528 122.820 -0.172 0.000 2.783 314 A HA -0.252 4.068 4.320 0.000 0.000 0.292 314 A C 0.991 178.522 177.584 -0.088 0.000 1.495 314 A CA 1.040 53.033 52.037 -0.074 0.000 0.787 314 A CB -2.544 16.442 19.000 -0.024 0.000 1.017 314 A HN 0.668 nan 8.150 nan 0.000 0.516 315 D N -1.394 118.923 120.400 -0.139 0.000 2.931 315 D HA -0.214 4.426 4.640 0.000 0.000 0.228 315 D C -0.096 176.152 176.300 -0.087 0.000 1.180 315 D CA 2.057 55.992 54.000 -0.107 0.000 0.784 315 D CB -0.730 40.032 40.800 -0.063 0.000 1.093 315 D HN 0.940 nan 8.370 nan 0.000 0.421 316 D N 0.106 120.455 120.400 -0.086 0.000 2.396 316 D HA 0.250 4.890 4.640 0.000 0.000 0.225 316 D C 1.242 177.509 176.300 -0.056 0.000 1.121 316 D CA -0.445 53.521 54.000 -0.058 0.000 0.853 316 D CB 0.474 41.256 40.800 -0.029 0.000 1.043 316 D HN 0.052 nan 8.370 nan 0.000 0.500 317 L N 2.733 123.907 121.223 -0.082 0.000 2.622 317 L HA -0.004 4.336 4.340 0.000 0.000 0.233 317 L C 1.973 178.777 176.870 -0.110 0.000 1.156 317 L CA 0.995 55.764 54.840 -0.118 0.000 0.866 317 L CB -0.081 41.840 42.059 -0.229 0.000 0.980 317 L HN 0.508 nan 8.230 nan 0.000 0.448 318 T N -5.858 108.657 114.554 -0.065 0.000 3.069 318 T HA 0.042 4.392 4.350 0.000 0.000 0.252 318 T C 0.512 175.214 174.700 0.003 0.000 1.053 318 T CA -0.491 61.584 62.100 -0.041 0.000 0.964 318 T CB -0.239 68.604 68.868 -0.041 0.000 1.005 318 T HN 0.117 nan 8.240 nan 0.000 0.532 319 D N 2.715 123.130 120.400 0.025 0.000 2.488 319 D HA 0.117 4.757 4.640 0.000 0.000 0.238 319 D C -1.342 174.983 176.300 0.042 0.000 1.138 319 D CA -1.503 52.543 54.000 0.077 0.000 0.873 319 D CB 1.102 41.971 40.800 0.114 0.000 1.183 319 D HN -0.043 nan 8.370 nan 0.000 0.458 320 P HA -0.241 nan 4.420 nan 0.000 0.217 320 P C 0.622 177.782 177.300 -0.233 0.000 1.151 320 P CA 1.868 64.876 63.100 -0.154 0.000 0.849 320 P CB 0.053 31.584 31.700 -0.282 0.000 0.787 321 A N 0.072 122.729 122.820 -0.271 0.000 1.832 321 A HA -0.088 4.232 4.320 0.000 0.000 0.214 321 A C -0.021 177.636 177.584 0.123 0.000 1.200 321 A CA 2.018 54.000 52.037 -0.092 0.000 0.610 321 A CB -2.162 16.981 19.000 0.238 0.000 0.842 321 A HN 0.200 nan 8.150 nan 0.000 0.444 322 P HA -0.187 nan 4.420 nan 0.000 0.215 322 P C 1.703 179.248 177.300 0.408 0.000 1.157 322 P CA 2.210 65.515 63.100 0.342 0.000 0.868 322 P CB -0.301 31.613 31.700 0.356 0.000 0.788 323 A N 0.037 122.986 122.820 0.214 0.000 1.896 323 A HA -0.256 4.064 4.320 0.000 0.000 0.220 323 A C 2.432 180.114 177.584 0.164 0.000 1.206 323 A CA 3.231 55.353 52.037 0.142 0.000 0.647 323 A CB -2.078 16.946 19.000 0.040 0.000 0.828 323 A HN 0.237 nan 8.150 nan 0.000 0.455 324 T N -0.292 114.327 114.554 0.109 0.000 2.708 324 T HA -0.119 4.231 4.350 0.000 0.000 0.266 324 T C 2.022 176.834 174.700 0.187 0.000 1.037 324 T CA 1.965 64.128 62.100 0.106 0.000 1.146 324 T CB -0.687 68.215 68.868 0.057 0.000 0.865 324 T HN 0.634 nan 8.240 nan 0.000 0.435 325 T N 1.615 116.287 114.554 0.196 0.000 2.720 325 T HA -0.058 4.292 4.350 0.000 0.000 0.268 325 T C 1.607 176.373 174.700 0.111 0.000 1.037 325 T CA 1.056 63.253 62.100 0.162 0.000 1.144 325 T CB -0.607 68.308 68.868 0.078 0.000 0.864 325 T HN 0.296 nan 8.240 nan 0.000 0.444 326 F N 1.658 121.668 119.950 0.101 0.000 2.216 326 F HA 0.012 4.539 4.527 0.000 0.000 0.300 326 F C 2.627 178.440 175.800 0.021 0.000 1.085 326 F CA 0.691 58.737 58.000 0.078 0.000 1.326 326 F CB -0.504 38.535 39.000 0.066 0.000 1.027 326 F HN 0.131 nan 8.300 nan 0.000 0.497 327 A N -1.186 121.711 122.820 0.129 0.000 2.139 327 A HA -0.221 4.099 4.320 0.000 0.000 0.221 327 A C 1.693 179.133 177.584 -0.240 0.000 1.159 327 A CA 1.836 53.821 52.037 -0.087 0.000 0.662 327 A CB -0.797 18.081 19.000 -0.204 0.000 0.796 327 A HN 0.499 nan 8.150 nan 0.000 0.463 328 H N -1.569 117.521 119.070 0.034 0.000 2.750 328 H HA 0.300 4.856 4.556 0.000 0.000 0.263 328 H C 0.122 175.429 175.328 -0.036 0.000 0.964 328 H CA -0.165 55.879 56.048 -0.008 0.000 1.205 328 H CB 0.107 29.852 29.762 -0.029 0.000 1.454 328 H HN 0.328 nan 8.280 nan 0.000 0.503 329 L N 1.903 123.152 121.223 0.043 0.000 2.380 329 L HA 0.053 4.393 4.340 0.000 0.000 0.273 329 L C 0.835 177.718 176.870 0.022 0.000 1.138 329 L CA 0.118 54.944 54.840 -0.024 0.000 0.832 329 L CB 0.860 42.836 42.059 -0.139 0.000 1.124 329 L HN 0.031 nan 8.230 nan 0.000 0.454 330 D N 1.881 122.283 120.400 0.003 0.000 2.369 330 D HA 0.353 4.994 4.640 0.000 0.000 0.211 330 D C 0.318 176.648 176.300 0.050 0.000 1.077 330 D CA 0.391 54.406 54.000 0.026 0.000 0.842 330 D CB 1.274 42.078 40.800 0.006 0.000 0.947 330 D HN 0.624 nan 8.370 nan 0.000 0.509 331 A N -0.035 122.817 122.820 0.054 0.000 2.456 331 A HA 0.562 4.882 4.320 0.000 0.000 0.294 331 A C -1.060 176.599 177.584 0.126 0.000 1.057 331 A CA -0.602 51.499 52.037 0.106 0.000 0.623 331 A CB 1.071 20.159 19.000 0.146 0.000 1.338 331 A HN -0.004 nan 8.150 nan 0.000 0.464 332 T N -1.787 112.884 114.554 0.196 0.000 2.916 332 T HA 0.761 5.111 4.350 0.000 0.000 0.305 332 T C -0.902 173.967 174.700 0.282 0.000 1.119 332 T CA -0.372 61.892 62.100 0.273 0.000 1.008 332 T CB 1.788 70.860 68.868 0.341 0.000 1.129 332 T HN 1.035 nan 8.240 nan 0.000 0.480 333 T N 2.044 116.779 114.554 0.303 0.000 2.934 333 T HA 0.479 4.829 4.350 0.000 0.000 0.328 333 T C -0.351 174.471 174.700 0.205 0.000 1.068 333 T CA -0.604 61.637 62.100 0.235 0.000 1.018 333 T CB 0.752 69.786 68.868 0.277 0.000 1.009 333 T HN 0.681 nan 8.240 nan 0.000 0.471 334 V N 5.277 125.285 119.914 0.156 0.000 2.304 334 V HA 0.345 4.465 4.120 0.000 0.000 0.269 334 V C 0.248 176.368 176.094 0.043 0.000 1.036 334 V CA -0.812 61.579 62.300 0.152 0.000 0.840 334 V CB 0.319 32.190 31.823 0.079 0.000 1.036 334 V HN 0.755 nan 8.190 nan 0.000 0.466 335 L N 4.064 125.306 121.223 0.032 0.000 2.331 335 L HA 0.545 4.885 4.340 0.000 0.000 0.278 335 L C 0.469 177.353 176.870 0.024 0.000 1.106 335 L CA 0.357 55.185 54.840 -0.019 0.000 0.824 335 L CB 1.353 43.389 42.059 -0.038 0.000 1.142 335 L HN 0.680 nan 8.230 nan 0.000 0.443 336 S N 2.816 118.515 115.700 -0.002 0.000 2.532 336 S HA 0.363 4.833 4.470 0.000 0.000 0.299 336 S C 0.970 175.565 174.600 -0.008 0.000 1.105 336 S CA -1.007 57.196 58.200 0.004 0.000 1.018 336 S CB 1.447 64.643 63.200 -0.007 0.000 1.021 336 S HN 0.699 nan 8.310 nan 0.000 0.483 337 R N 3.258 123.764 120.500 0.010 0.000 2.241 337 R HA -0.015 4.325 4.340 0.000 0.000 0.224 337 R C 1.781 178.072 176.300 -0.015 0.000 1.101 337 R CA 1.395 57.499 56.100 0.007 0.000 0.995 337 R CB -1.295 29.021 30.300 0.027 0.000 0.870 337 R HN 0.678 nan 8.270 nan 0.000 0.463 338 G N 1.588 110.377 108.800 -0.018 0.000 2.484 338 G HA2 -0.076 3.884 3.960 0.000 0.000 0.218 338 G HA3 -0.076 3.884 3.960 0.000 0.000 0.218 338 G C 1.399 176.274 174.900 -0.042 0.000 1.130 338 G CA 0.130 45.215 45.100 -0.025 0.000 0.784 338 G HN 0.138 nan 8.290 nan 0.000 0.543 339 I N 0.616 121.148 120.570 -0.062 0.000 2.512 339 I HA 0.012 4.182 4.170 0.000 0.000 0.247 339 I C 2.788 178.793 176.117 -0.186 0.000 1.094 339 I CA 1.004 62.247 61.300 -0.094 0.000 1.427 339 I CB -1.097 36.850 38.000 -0.088 0.000 1.149 339 I HN 0.211 nan 8.210 nan 0.000 0.438 340 S N 0.762 116.327 115.700 -0.225 0.000 2.387 340 S HA -0.256 4.214 4.470 0.000 0.000 0.230 340 S C 1.879 176.336 174.600 -0.239 0.000 1.035 340 S CA 1.816 59.788 58.200 -0.381 0.000 1.014 340 S CB -0.201 62.925 63.200 -0.123 0.000 0.836 340 S HN 0.414 nan 8.310 nan 0.000 0.466 341 E N 0.008 120.152 120.200 -0.093 0.000 2.204 341 E HA 0.003 4.353 4.350 0.000 0.000 0.194 341 E C 1.601 178.181 176.600 -0.033 0.000 0.989 341 E CA 0.821 57.205 56.400 -0.027 0.000 0.824 341 E CB -0.078 29.616 29.700 -0.009 0.000 0.756 341 E HN 0.553 nan 8.360 nan 0.000 0.477 342 L N -0.684 120.498 121.223 -0.067 0.000 2.610 342 L HA 0.139 4.479 4.340 0.000 0.000 0.232 342 L C 1.176 178.018 176.870 -0.046 0.000 1.149 342 L CA 0.321 55.134 54.840 -0.045 0.000 0.872 342 L CB -0.212 41.828 42.059 -0.031 0.000 0.992 342 L HN 0.201 nan 8.230 nan 0.000 0.447 343 G N 1.284 110.039 108.800 -0.075 0.000 2.212 343 G HA2 -0.224 3.736 3.960 0.000 0.000 0.255 343 G HA3 -0.224 3.736 3.960 0.000 0.000 0.255 343 G C -0.058 174.869 174.900 0.045 0.000 1.062 343 G CA -0.361 44.775 45.100 0.061 0.000 0.815 343 G HN 0.196 nan 8.290 nan 0.000 0.497 344 I N 0.594 120.962 120.570 -0.337 0.000 2.382 344 I HA 0.466 4.636 4.170 0.000 0.000 0.285 344 I C -0.295 175.512 176.117 -0.517 0.000 1.007 344 I CA -0.922 60.271 61.300 -0.178 0.000 1.142 344 I CB 0.814 38.775 38.000 -0.065 0.000 1.289 344 I HN 0.150 nan 8.210 nan 0.000 0.453 345 Y N 6.514 126.807 120.300 -0.013 0.000 2.462 345 Y HA 0.464 5.014 4.550 0.000 0.000 0.346 345 Y C -2.201 173.551 175.900 -0.245 0.000 0.976 345 Y CA -2.793 55.233 58.100 -0.124 0.000 1.044 345 Y CB 1.659 40.021 38.460 -0.164 0.000 1.230 345 Y HN 0.383 nan 8.280 nan 0.000 0.455 346 P HA 0.042 nan 4.420 nan 0.000 0.268 346 P C -0.317 176.977 177.300 -0.010 0.000 1.205 346 P CA -0.075 63.041 63.100 0.028 0.000 0.771 346 P CB 0.985 32.880 31.700 0.325 0.000 0.858 347 A N 3.710 126.507 122.820 -0.039 0.000 3.033 347 A HA 0.240 4.560 4.320 0.000 0.000 0.250 347 A C 0.382 177.911 177.584 -0.092 0.000 1.633 347 A CA -0.326 51.645 52.037 -0.111 0.000 1.290 347 A CB -1.080 17.856 19.000 -0.108 0.000 1.048 347 A HN 0.367 nan 8.150 nan 0.000 0.648 348 V N 1.318 121.184 119.914 -0.080 0.000 2.461 348 V HA 0.077 4.197 4.120 0.000 0.000 0.275 348 V C 0.286 176.362 176.094 -0.029 0.000 1.047 348 V CA -0.625 61.632 62.300 -0.070 0.000 0.955 348 V CB 1.245 33.041 31.823 -0.046 0.000 0.988 348 V HN 0.604 nan 8.190 nan 0.000 0.471 349 D N 8.232 128.621 120.400 -0.018 0.000 2.344 349 D HA 0.140 4.780 4.640 0.000 0.000 0.253 349 D C -1.240 175.062 176.300 0.003 0.000 1.255 349 D CA -1.860 52.136 54.000 -0.007 0.000 0.894 349 D CB 1.771 42.566 40.800 -0.008 0.000 1.067 349 D HN 0.289 nan 8.370 nan 0.000 0.492 350 P HA -0.041 nan 4.420 nan 0.000 0.233 350 P C 1.345 178.646 177.300 0.003 0.000 1.167 350 P CA 0.501 63.604 63.100 0.005 0.000 0.770 350 P CB 0.569 32.278 31.700 0.014 0.000 0.837 351 L N -1.109 120.117 121.223 0.004 0.000 2.388 351 L HA 0.122 4.462 4.340 0.000 0.000 0.209 351 L C 2.004 178.871 176.870 -0.004 0.000 1.061 351 L CA 0.805 55.645 54.840 -0.000 0.000 0.834 351 L CB -0.676 41.383 42.059 0.000 0.000 1.029 351 L HN -0.168 nan 8.230 nan 0.000 0.473 352 D N 0.039 120.435 120.400 -0.008 0.000 2.162 352 D HA -0.037 4.603 4.640 0.000 0.000 0.203 352 D C 0.799 177.099 176.300 0.001 0.000 0.967 352 D CA 0.487 54.476 54.000 -0.018 0.000 0.840 352 D CB 0.201 40.980 40.800 -0.034 0.000 0.972 352 D HN 0.054 nan 8.370 nan 0.000 0.482 353 S N 0.444 116.160 115.700 0.027 0.000 2.562 353 S HA 0.275 4.745 4.470 0.000 0.000 0.281 353 S C 0.178 174.818 174.600 0.067 0.000 1.333 353 S CA 0.050 58.292 58.200 0.069 0.000 1.052 353 S CB 1.162 64.409 63.200 0.079 0.000 0.884 353 S HN 0.048 nan 8.310 nan 0.000 0.506 354 K N 0.706 121.165 120.400 0.099 0.000 2.508 354 K HA 0.627 4.947 4.320 0.000 0.000 0.260 354 K C -1.190 175.477 176.600 0.112 0.000 0.949 354 K CA -0.495 55.845 56.287 0.088 0.000 0.834 354 K CB 2.164 34.711 32.500 0.079 0.000 1.365 354 K HN 0.510 nan 8.250 nan 0.000 0.437 355 S N 0.818 116.573 115.700 0.091 0.000 2.649 355 S HA 0.231 4.701 4.470 0.000 0.000 0.274 355 S C 0.076 174.720 174.600 0.073 0.000 1.176 355 S CA -0.714 57.543 58.200 0.095 0.000 0.988 355 S CB 1.348 64.609 63.200 0.101 0.000 1.071 355 S HN 0.735 nan 8.310 nan 0.000 0.478 356 R N 3.441 123.983 120.500 0.070 0.000 2.249 356 R HA 0.053 4.393 4.340 0.000 0.000 0.230 356 R C 0.932 177.259 176.300 0.046 0.000 1.121 356 R CA 1.196 57.330 56.100 0.057 0.000 0.997 356 R CB -0.218 30.113 30.300 0.051 0.000 0.867 356 R HN 0.753 nan 8.270 nan 0.000 0.465 357 L N 0.768 122.015 121.223 0.039 0.000 2.558 357 L HA 0.032 4.372 4.340 0.000 0.000 0.225 357 L C 0.650 177.519 176.870 -0.003 0.000 1.128 357 L CA -0.158 54.691 54.840 0.016 0.000 0.868 357 L CB -0.036 42.029 42.059 0.010 0.000 1.006 357 L HN 0.123 nan 8.230 nan 0.000 0.454 358 L N 1.763 122.998 121.223 0.021 0.000 2.376 358 L HA 0.230 4.570 4.340 0.000 0.000 0.250 358 L C -0.627 176.359 176.870 0.194 0.000 1.335 358 L CA 0.639 55.494 54.840 0.026 0.000 1.214 358 L CB -0.763 41.299 42.059 0.005 0.000 1.395 358 L HN 0.009 nan 8.230 nan 0.000 0.424 359 D N 1.778 122.282 120.400 0.173 0.000 2.966 359 D HA 0.318 4.958 4.640 0.000 0.000 0.222 359 D C 0.637 176.952 176.300 0.025 0.000 1.292 359 D CA 0.154 54.228 54.000 0.123 0.000 0.907 359 D CB 2.037 42.859 40.800 0.037 0.000 1.621 359 D HN 0.257 nan 8.370 nan 0.000 0.557 360 A N 3.138 125.872 122.820 -0.144 0.000 2.024 360 A HA 0.020 4.340 4.320 0.000 0.000 0.220 360 A C 1.979 179.528 177.584 -0.058 0.000 1.164 360 A CA 2.038 54.014 52.037 -0.101 0.000 0.643 360 A CB -0.473 18.381 19.000 -0.243 0.000 0.806 360 A HN 0.677 nan 8.150 nan 0.000 0.451 361 A N -1.093 121.683 122.820 -0.072 0.000 2.172 361 A HA 0.187 4.507 4.320 0.000 0.000 0.216 361 A C 1.838 179.408 177.584 -0.024 0.000 1.154 361 A CA 1.749 53.760 52.037 -0.044 0.000 0.701 361 A CB -0.254 18.719 19.000 -0.045 0.000 0.789 361 A HN 0.456 nan 8.150 nan 0.000 0.465 362 V N -1.426 118.475 119.914 -0.021 0.000 3.090 362 V HA -0.020 4.100 4.120 0.000 0.000 0.237 362 V C 1.988 178.068 176.094 -0.022 0.000 1.209 362 V CA 1.115 63.404 62.300 -0.019 0.000 1.209 362 V CB 0.487 32.298 31.823 -0.020 0.000 0.971 362 V HN 0.428 nan 8.190 nan 0.000 0.477 363 V N -1.462 118.430 119.914 -0.035 0.000 3.660 363 V HA 0.755 4.875 4.120 0.000 0.000 0.276 363 V C 0.882 177.014 176.094 0.064 0.000 1.317 363 V CA 0.185 62.455 62.300 -0.050 0.000 1.097 363 V CB -0.587 31.026 31.823 -0.350 0.000 0.863 363 V HN 0.847 nan 8.190 nan 0.000 0.438 364 G N 0.646 109.481 108.800 0.059 0.000 2.712 364 G HA2 -0.217 3.743 3.960 0.000 0.000 0.686 364 G HA3 -0.217 3.743 3.960 0.000 0.000 0.686 364 G C -0.086 174.889 174.900 0.125 0.000 1.321 364 G CA 0.314 45.462 45.100 0.081 0.000 0.813 364 G HN 0.444 nan 8.290 nan 0.000 0.599 365 Q N -0.152 119.706 119.800 0.097 0.000 2.050 365 Q HA -0.070 4.270 4.340 0.000 0.000 0.202 365 Q C 2.490 178.594 176.000 0.173 0.000 0.980 365 Q CA 2.472 58.348 55.803 0.122 0.000 0.840 365 Q CB -0.242 28.540 28.738 0.073 0.000 0.898 365 Q HN 0.687 nan 8.270 nan 0.000 0.424 366 E N -0.284 119.998 120.200 0.137 0.000 2.082 366 E HA -0.299 4.051 4.350 0.000 0.000 0.215 366 E C 1.930 178.627 176.600 0.163 0.000 1.048 366 E CA 1.797 58.274 56.400 0.128 0.000 0.869 366 E CB -0.607 29.154 29.700 0.102 0.000 0.773 366 E HN 0.524 nan 8.360 nan 0.000 0.466 367 H N -0.343 118.778 119.070 0.086 0.000 2.253 367 H HA -0.184 4.372 4.556 0.000 0.000 0.296 367 H C 2.150 177.523 175.328 0.074 0.000 1.074 367 H CA 2.121 58.210 56.048 0.068 0.000 1.263 367 H CB -0.905 28.896 29.762 0.065 0.000 1.363 367 H HN 0.255 nan 8.280 nan 0.000 0.489 368 Y N 1.866 122.295 120.300 0.216 0.000 2.002 368 Y HA -0.331 4.219 4.550 -0.000 0.000 0.268 368 Y C 2.415 178.377 175.900 0.104 0.000 1.177 368 Y CA 2.527 60.697 58.100 0.117 0.000 1.111 368 Y CB -0.556 37.936 38.460 0.053 0.000 0.952 368 Y HN 0.276 nan 8.280 nan 0.000 0.491 369 D N -0.481 120.064 120.400 0.242 0.000 2.103 369 D HA -0.222 4.418 4.640 0.000 0.000 0.190 369 D C 2.450 178.771 176.300 0.036 0.000 0.997 369 D CA 2.058 56.140 54.000 0.136 0.000 0.833 369 D CB -0.888 40.006 40.800 0.158 0.000 0.961 369 D HN 0.317 nan 8.370 nan 0.000 0.447 370 V N 1.451 121.399 119.914 0.057 0.000 2.252 370 V HA -0.313 3.807 4.120 0.000 0.000 0.249 370 V C 2.522 178.611 176.094 -0.009 0.000 1.056 370 V CA 2.205 64.529 62.300 0.040 0.000 1.022 370 V CB -1.024 30.820 31.823 0.035 0.000 0.641 370 V HN 0.249 nan 8.190 nan 0.000 0.445 371 A N -0.105 122.688 122.820 -0.045 0.000 1.865 371 A HA -0.252 4.068 4.320 0.000 0.000 0.217 371 A C 2.472 179.974 177.584 -0.135 0.000 1.191 371 A CA 2.573 54.553 52.037 -0.094 0.000 0.623 371 A CB -0.978 18.007 19.000 -0.025 0.000 0.826 371 A HN 0.549 nan 8.150 nan 0.000 0.444 372 S N 0.019 115.577 115.700 -0.237 0.000 2.374 372 S HA -0.164 4.306 4.470 0.000 0.000 0.227 372 S C 2.378 176.922 174.600 -0.093 0.000 1.037 372 S CA 2.250 60.302 58.200 -0.247 0.000 1.024 372 S CB -0.624 62.348 63.200 -0.380 0.000 0.861 372 S HN 0.876 nan 8.310 nan 0.000 0.456 373 K N 1.298 121.672 120.400 -0.042 0.000 2.057 373 K HA 0.057 4.377 4.320 0.000 0.000 0.207 373 K C 2.253 178.865 176.600 0.021 0.000 1.049 373 K CA 1.487 57.779 56.287 0.007 0.000 0.931 373 K CB -1.508 31.012 32.500 0.034 0.000 0.714 373 K HN 0.266 nan 8.250 nan 0.000 0.440 374 V N 1.883 121.812 119.914 0.024 0.000 2.252 374 V HA -0.394 3.726 4.120 0.000 0.000 0.249 374 V C 2.814 178.923 176.094 0.026 0.000 1.056 374 V CA 2.498 64.829 62.300 0.051 0.000 1.022 374 V CB -0.592 31.247 31.823 0.025 0.000 0.641 374 V HN 0.699 nan 8.190 nan 0.000 0.445 375 Q N -0.454 119.339 119.800 -0.012 0.000 2.084 375 Q HA -0.204 4.136 4.340 0.000 0.000 0.202 375 Q C 2.465 178.472 176.000 0.011 0.000 0.978 375 Q CA 1.983 57.782 55.803 -0.007 0.000 0.844 375 Q CB -0.380 28.336 28.738 -0.036 0.000 0.898 375 Q HN 0.858 nan 8.270 nan 0.000 0.426 376 E N 0.817 121.021 120.200 0.007 0.000 2.110 376 E HA -0.165 4.185 4.350 0.000 0.000 0.193 376 E C 1.919 178.541 176.600 0.037 0.000 0.988 376 E CA 1.728 58.139 56.400 0.019 0.000 0.804 376 E CB -1.100 28.609 29.700 0.015 0.000 0.745 376 E HN 0.461 nan 8.360 nan 0.000 0.458 377 T N 0.758 115.338 114.554 0.042 0.000 2.770 377 T HA 0.038 4.388 4.350 0.000 0.000 0.263 377 T C 2.184 176.937 174.700 0.088 0.000 1.039 377 T CA 1.117 63.248 62.100 0.052 0.000 1.142 377 T CB -0.236 68.654 68.868 0.037 0.000 0.868 377 T HN 0.312 nan 8.240 nan 0.000 0.435 378 L N 0.775 122.054 121.223 0.094 0.000 2.131 378 L HA -0.117 4.223 4.340 0.000 0.000 0.210 378 L C 2.907 179.868 176.870 0.152 0.000 1.092 378 L CA 1.050 55.984 54.840 0.156 0.000 0.759 378 L CB -0.451 41.678 42.059 0.117 0.000 0.903 378 L HN 0.228 nan 8.230 nan 0.000 0.435 379 Q N 0.334 120.184 119.800 0.084 0.000 2.020 379 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 379 Q C 2.128 178.156 176.000 0.047 0.000 0.982 379 Q CA 2.616 58.447 55.803 0.048 0.000 0.838 379 Q CB -0.411 28.344 28.738 0.028 0.000 0.899 379 Q HN 0.524 nan 8.270 nan 0.000 0.423 380 T N -1.485 113.108 114.554 0.064 0.000 3.072 380 T HA -0.093 4.257 4.350 0.000 0.000 0.266 380 T C 1.471 176.230 174.700 0.098 0.000 1.127 380 T CA 0.932 63.068 62.100 0.059 0.000 1.107 380 T CB -0.483 68.417 68.868 0.052 0.000 0.910 380 T HN 0.375 nan 8.240 nan 0.000 0.513 381 Y N 2.849 123.147 120.300 -0.003 0.000 2.243 381 Y HA 0.088 4.638 4.550 0.000 0.000 0.293 381 Y C 2.664 178.560 175.900 -0.007 0.000 1.124 381 Y CA 1.360 59.457 58.100 -0.005 0.000 1.159 381 Y CB -0.882 37.575 38.460 -0.005 0.000 1.008 381 Y HN 0.200 nan 8.280 nan 0.000 0.527 382 K N 0.250 120.562 120.400 -0.146 0.000 2.360 382 K HA -0.098 4.222 4.320 0.000 0.000 0.201 382 K C 2.175 178.675 176.600 -0.166 0.000 1.046 382 K CA 1.636 57.788 56.287 -0.224 0.000 0.940 382 K CB -1.482 30.962 32.500 -0.095 0.000 0.748 382 K HN 0.641 nan 8.250 nan 0.000 0.465 383 S N -0.405 115.236 115.700 -0.098 0.000 2.470 383 S HA 0.100 4.570 4.470 0.000 0.000 0.222 383 S C 1.991 176.552 174.600 -0.066 0.000 1.024 383 S CA 0.501 58.662 58.200 -0.065 0.000 0.931 383 S CB -0.054 63.130 63.200 -0.027 0.000 0.791 383 S HN 0.447 nan 8.310 nan 0.000 0.513 384 L N 1.097 122.277 121.223 -0.072 0.000 2.341 384 L HA 0.040 4.380 4.340 0.000 0.000 0.214 384 L C 2.661 179.484 176.870 -0.080 0.000 1.115 384 L CA 0.475 55.288 54.840 -0.045 0.000 0.820 384 L CB -0.650 41.419 42.059 0.017 0.000 0.944 384 L HN 0.350 nan 8.230 nan 0.000 0.452 385 Q N 0.587 120.286 119.800 -0.169 0.000 2.242 385 Q HA -0.253 4.087 4.340 0.000 0.000 0.211 385 Q C 1.423 177.368 176.000 -0.092 0.000 0.992 385 Q CA 1.785 57.486 55.803 -0.171 0.000 0.889 385 Q CB -0.476 28.115 28.738 -0.244 0.000 0.913 385 Q HN 0.585 nan 8.270 nan 0.000 0.422 386 D N 0.948 121.303 120.400 -0.075 0.000 2.077 386 D HA -0.119 4.521 4.640 0.000 0.000 0.196 386 D C 2.147 178.427 176.300 -0.033 0.000 0.986 386 D CA 1.421 55.392 54.000 -0.050 0.000 0.829 386 D CB -0.450 40.325 40.800 -0.043 0.000 0.983 386 D HN 0.500 nan 8.370 nan 0.000 0.453 387 I N -1.334 119.220 120.570 -0.027 0.000 2.546 387 I HA -0.095 4.075 4.170 0.000 0.000 0.255 387 I C 1.800 177.910 176.117 -0.011 0.000 1.163 387 I CA 0.468 61.758 61.300 -0.016 0.000 1.457 387 I CB -0.265 37.729 38.000 -0.010 0.000 1.092 387 I HN -0.140 nan 8.210 nan 0.000 0.434 388 I N 2.582 123.144 120.570 -0.013 0.000 2.194 388 I HA -0.277 3.893 4.170 0.000 0.000 0.246 388 I C 2.876 178.990 176.117 -0.006 0.000 1.093 388 I CA 1.903 63.202 61.300 -0.002 0.000 1.355 388 I CB -1.397 36.603 38.000 0.000 0.000 1.046 388 I HN 0.373 nan 8.210 nan 0.000 0.413 389 A N -0.083 122.727 122.820 -0.017 0.000 1.975 389 A HA 0.007 4.327 4.320 0.000 0.000 0.215 389 A C 2.315 179.892 177.584 -0.011 0.000 1.170 389 A CA 0.862 52.890 52.037 -0.015 0.000 0.656 389 A CB -0.216 18.770 19.000 -0.023 0.000 0.821 389 A HN 0.358 nan 8.150 nan 0.000 0.449 390 I N -1.403 119.160 120.570 -0.012 0.000 2.681 390 I HA 0.023 4.193 4.170 0.000 0.000 0.247 390 I C 2.260 178.373 176.117 -0.006 0.000 1.091 390 I CA 0.383 61.678 61.300 -0.009 0.000 1.442 390 I CB -0.264 37.729 38.000 -0.011 0.000 1.219 390 I HN 0.170 nan 8.210 nan 0.000 0.451 391 L N 0.643 121.863 121.223 -0.005 0.000 2.056 391 L HA 0.066 4.406 4.340 0.000 0.000 0.207 391 L C 0.773 177.643 176.870 -0.000 0.000 1.078 391 L CA 0.920 55.758 54.840 -0.002 0.000 0.749 391 L CB -0.407 41.651 42.059 -0.002 0.000 0.901 391 L HN 0.521 nan 8.230 nan 0.000 0.433 392 G N -1.507 107.294 108.800 0.001 0.000 2.911 392 G HA2 -0.241 3.719 3.960 0.000 0.000 0.686 392 G HA3 -0.241 3.719 3.960 0.000 0.000 0.686 392 G C -0.035 174.870 174.900 0.007 0.000 1.136 392 G CA -0.101 45.001 45.100 0.004 0.000 0.764 392 G HN 0.043 nan 8.290 nan 0.000 0.626 393 M N 0.635 120.241 119.600 0.011 0.000 2.435 393 M HA -0.066 4.414 4.480 0.000 0.000 0.262 393 M C 1.866 178.174 176.300 0.013 0.000 1.065 393 M CA 2.351 57.660 55.300 0.016 0.000 1.076 393 M CB -0.139 32.473 32.600 0.020 0.000 1.403 393 M HN 0.622 nan 8.290 nan 0.000 0.454 394 D N 0.453 120.858 120.400 0.009 0.000 2.178 394 D HA -0.118 4.522 4.640 0.000 0.000 0.201 394 D C 0.665 176.970 176.300 0.007 0.000 0.980 394 D CA 0.963 54.967 54.000 0.007 0.000 0.842 394 D CB -0.158 40.645 40.800 0.005 0.000 0.948 394 D HN 0.348 nan 8.370 nan 0.000 0.472 395 E N 0.618 120.822 120.200 0.007 0.000 2.676 395 E HA 0.144 4.494 4.350 0.000 0.000 0.318 395 E C -0.176 176.429 176.600 0.008 0.000 1.514 395 E CA 0.130 56.533 56.400 0.006 0.000 1.667 395 E CB -0.187 29.516 29.700 0.004 0.000 1.336 395 E HN 0.337 nan 8.360 nan 0.000 0.492 396 L N 0.506 121.734 121.223 0.010 0.000 2.445 396 L HA 0.218 4.558 4.340 0.000 0.000 0.262 396 L C 0.425 177.301 176.870 0.011 0.000 0.974 396 L CA -0.924 53.924 54.840 0.013 0.000 0.822 396 L CB 2.115 44.184 42.059 0.018 0.000 1.339 396 L HN 0.088 nan 8.230 nan 0.000 0.409 397 S N 0.280 115.987 115.700 0.011 0.000 2.584 397 S HA 0.118 4.588 4.470 0.000 0.000 0.270 397 S C 0.915 175.521 174.600 0.009 0.000 1.346 397 S CA -0.622 57.584 58.200 0.009 0.000 1.018 397 S CB 1.079 64.285 63.200 0.009 0.000 0.899 397 S HN 0.655 nan 8.310 nan 0.000 0.542 398 E N 1.710 121.914 120.200 0.007 0.000 2.065 398 E HA -0.301 4.049 4.350 0.000 0.000 0.201 398 E C 2.745 179.348 176.600 0.005 0.000 1.016 398 E CA 2.191 58.594 56.400 0.005 0.000 0.818 398 E CB -1.234 28.468 29.700 0.003 0.000 0.749 398 E HN 0.964 nan 8.360 nan 0.000 0.453 399 Q N 1.523 121.327 119.800 0.007 0.000 2.167 399 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 399 Q C 1.725 177.732 176.000 0.011 0.000 0.970 399 Q CA 1.729 57.537 55.803 0.008 0.000 0.855 399 Q CB -0.490 28.254 28.738 0.009 0.000 0.911 399 Q HN 0.222 nan 8.270 nan 0.000 0.438 400 D N -0.242 120.167 120.400 0.015 0.000 2.183 400 D HA -0.043 4.597 4.640 0.000 0.000 0.203 400 D C 2.350 178.666 176.300 0.025 0.000 0.969 400 D CA 1.805 55.820 54.000 0.024 0.000 0.842 400 D CB 0.019 40.834 40.800 0.025 0.000 0.957 400 D HN 0.638 nan 8.370 nan 0.000 0.484 401 K N 0.830 121.239 120.400 0.016 0.000 2.097 401 K HA -0.093 4.227 4.320 0.000 0.000 0.205 401 K C 2.042 178.641 176.600 -0.001 0.000 1.050 401 K CA 0.851 57.145 56.287 0.012 0.000 0.938 401 K CB -0.960 31.544 32.500 0.007 0.000 0.718 401 K HN 0.091 nan 8.250 nan 0.000 0.442 402 L N 1.401 122.622 121.223 -0.004 0.000 2.072 402 L HA -0.071 4.269 4.340 0.000 0.000 0.205 402 L C 2.756 179.608 176.870 -0.029 0.000 1.079 402 L CA 2.688 57.518 54.840 -0.017 0.000 0.752 402 L CB -0.510 41.543 42.059 -0.011 0.000 0.906 402 L HN 0.579 nan 8.230 nan 0.000 0.436 403 T N -3.495 111.051 114.554 -0.012 0.000 2.788 403 T HA -0.152 4.198 4.350 0.000 0.000 0.268 403 T C 1.920 176.591 174.700 -0.049 0.000 1.044 403 T CA 1.372 63.463 62.100 -0.015 0.000 1.139 403 T CB -1.023 67.857 68.868 0.019 0.000 0.867 403 T HN 0.145 nan 8.240 nan 0.000 0.454 404 V N 1.854 121.756 119.914 -0.021 0.000 2.237 404 V HA -0.186 3.934 4.120 0.000 0.000 0.245 404 V C 2.770 178.721 176.094 -0.237 0.000 1.046 404 V CA 2.155 64.414 62.300 -0.067 0.000 1.007 404 V CB -0.691 31.184 31.823 0.086 0.000 0.638 404 V HN 0.549 nan 8.190 nan 0.000 0.445 405 E N -0.485 119.635 120.200 -0.132 0.000 2.153 405 E HA -0.268 4.082 4.350 0.000 0.000 0.194 405 E C 2.346 178.832 176.600 -0.190 0.000 0.988 405 E CA 1.245 57.563 56.400 -0.137 0.000 0.811 405 E CB 0.043 29.699 29.700 -0.073 0.000 0.746 405 E HN 0.389 nan 8.360 nan 0.000 0.466 406 R N -0.395 119.997 120.500 -0.180 0.000 2.100 406 R HA 0.071 4.411 4.340 0.000 0.000 0.220 406 R C 2.065 178.216 176.300 -0.248 0.000 1.091 406 R CA 1.134 57.116 56.100 -0.196 0.000 0.986 406 R CB -0.147 30.083 30.300 -0.116 0.000 0.888 406 R HN 0.144 nan 8.270 nan 0.000 0.444 407 A N 0.491 123.147 122.820 -0.274 0.000 1.930 407 A HA -0.129 4.191 4.320 0.000 0.000 0.217 407 A C 2.047 179.382 177.584 -0.416 0.000 1.175 407 A CA 1.250 53.097 52.037 -0.317 0.000 0.627 407 A CB -0.385 18.379 19.000 -0.392 0.000 0.815 407 A HN 0.259 nan 8.150 nan 0.000 0.443 408 R N -0.554 119.628 120.500 -0.529 0.000 2.120 408 R HA -0.136 4.204 4.340 0.000 0.000 0.234 408 R C 2.611 178.747 176.300 -0.275 0.000 1.123 408 R CA 1.841 57.709 56.100 -0.386 0.000 0.975 408 R CB -0.303 29.811 30.300 -0.310 0.000 0.866 408 R HN 0.570 nan 8.270 nan 0.000 0.446 409 K N 0.960 121.124 120.400 -0.392 0.000 2.031 409 K HA -0.057 4.263 4.320 0.000 0.000 0.205 409 K C 1.828 178.101 176.600 -0.545 0.000 1.049 409 K CA 1.431 57.288 56.287 -0.716 0.000 0.939 409 K CB -0.760 31.076 32.500 -1.106 0.000 0.717 409 K HN 0.136 nan 8.250 nan 0.000 0.438 410 I N 0.835 121.218 120.570 -0.313 0.000 2.286 410 I HA -0.304 3.866 4.170 0.000 0.000 0.248 410 I C 3.052 179.241 176.117 0.121 0.000 1.115 410 I CA 1.605 62.888 61.300 -0.027 0.000 1.392 410 I CB 0.001 38.039 38.000 0.064 0.000 1.065 410 I HN 0.535 nan 8.210 nan 0.000 0.418 411 Q N 0.781 120.593 119.800 0.021 0.000 2.079 411 Q HA -0.195 4.145 4.340 0.000 0.000 0.200 411 Q C 2.351 178.433 176.000 0.137 0.000 0.974 411 Q CA 1.495 57.345 55.803 0.077 0.000 0.840 411 Q CB 0.101 28.857 28.738 0.029 0.000 0.898 411 Q HN 0.390 nan 8.270 nan 0.000 0.430 412 R N -0.863 119.722 120.500 0.142 0.000 2.119 412 R HA -0.057 4.283 4.340 0.000 0.000 0.222 412 R C 1.918 178.443 176.300 0.376 0.000 1.088 412 R CA 0.789 57.055 56.100 0.276 0.000 0.984 412 R CB -0.113 30.354 30.300 0.278 0.000 0.884 412 R HN 0.220 nan 8.270 nan 0.000 0.447 413 F N 0.994 121.026 119.950 0.137 0.000 2.502 413 F HA 0.014 4.541 4.527 0.000 0.000 0.298 413 F C 1.390 177.333 175.800 0.238 0.000 1.111 413 F CA 0.854 58.942 58.000 0.147 0.000 1.445 413 F CB 0.036 39.010 39.000 -0.044 0.000 1.081 413 F HN -0.064 nan 8.300 nan 0.000 0.558 414 L N -0.294 121.086 121.223 0.262 0.000 2.478 414 L HA -0.002 4.338 4.340 0.000 0.000 0.223 414 L C 1.295 178.220 176.870 0.092 0.000 1.140 414 L CA 0.289 55.237 54.840 0.179 0.000 0.842 414 L CB -0.719 41.444 42.059 0.174 0.000 0.953 414 L HN 0.105 nan 8.230 nan 0.000 0.452 415 S N -0.370 115.396 115.700 0.111 0.000 2.592 415 S HA 0.338 4.808 4.470 0.000 0.000 0.271 415 S C -0.352 174.242 174.600 -0.009 0.000 1.326 415 S CA -0.492 57.741 58.200 0.055 0.000 1.024 415 S CB 1.974 65.234 63.200 0.099 0.000 0.921 415 S HN 0.268 nan 8.310 nan 0.000 0.527 416 Q N 0.860 120.622 119.800 -0.065 0.000 2.320 416 Q HA 0.432 4.772 4.340 0.000 0.000 0.272 416 Q C -3.081 172.844 176.000 -0.126 0.000 1.023 416 Q CA -2.095 53.684 55.803 -0.040 0.000 0.855 416 Q CB 2.410 31.214 28.738 0.111 0.000 1.367 416 Q HN 0.533 nan 8.270 nan 0.000 0.406 417 P HA 0.238 nan 4.420 nan 0.000 0.281 417 P C -1.113 176.310 177.300 0.205 0.000 1.252 417 P CA -0.140 62.944 63.100 -0.027 0.000 0.778 417 P CB 0.352 32.037 31.700 -0.026 0.000 0.895 418 F N 1.563 121.503 119.950 -0.016 0.000 2.404 418 F HA 0.385 4.912 4.527 -0.000 0.000 0.339 418 F C 1.739 177.529 175.800 -0.018 0.000 1.105 418 F CA -1.490 56.498 58.000 -0.019 0.000 1.087 418 F CB 0.633 39.621 39.000 -0.019 0.000 1.143 418 F HN 0.391 nan 8.300 nan 0.000 0.491 419 A N 3.107 126.012 122.820 0.141 0.000 1.873 419 A HA -0.170 4.150 4.320 0.000 0.000 0.218 419 A C 2.241 179.876 177.584 0.085 0.000 1.193 419 A CA 2.687 54.765 52.037 0.069 0.000 0.629 419 A CB -1.209 17.796 19.000 0.008 0.000 0.826 419 A HN 0.705 nan 8.150 nan 0.000 0.447 420 V N -2.255 117.702 119.914 0.071 0.000 2.469 420 V HA -0.123 3.997 4.120 0.000 0.000 0.251 420 V C 2.486 178.671 176.094 0.152 0.000 1.064 420 V CA 2.033 64.384 62.300 0.086 0.000 1.066 420 V CB -1.616 30.226 31.823 0.032 0.000 0.667 420 V HN 0.591 nan 8.190 nan 0.000 0.461 421 A N -0.237 122.667 122.820 0.140 0.000 2.067 421 A HA -0.155 4.165 4.320 0.000 0.000 0.219 421 A C 2.170 179.886 177.584 0.221 0.000 1.158 421 A CA 1.505 53.589 52.037 0.079 0.000 0.661 421 A CB -0.641 18.364 19.000 0.007 0.000 0.801 421 A HN 0.694 nan 8.150 nan 0.000 0.452 422 E N -0.155 120.149 120.200 0.174 0.000 2.086 422 E HA -0.230 4.120 4.350 0.000 0.000 0.200 422 E C 1.994 178.681 176.600 0.144 0.000 1.012 422 E CA 2.137 58.615 56.400 0.130 0.000 0.812 422 E CB -0.305 29.445 29.700 0.084 0.000 0.743 422 E HN 0.646 nan 8.360 nan 0.000 0.453 423 V N -1.096 118.918 119.914 0.166 0.000 2.867 423 V HA -0.192 3.928 4.120 0.000 0.000 0.260 423 V C 1.637 177.689 176.094 -0.071 0.000 1.099 423 V CA 1.473 63.780 62.300 0.011 0.000 1.122 423 V CB -0.649 31.120 31.823 -0.090 0.000 0.708 423 V HN 0.154 nan 8.190 nan 0.000 0.490 424 F N 2.120 122.059 119.950 -0.019 0.000 2.243 424 F HA 0.111 4.638 4.527 0.000 0.000 0.287 424 F C 2.866 178.648 175.800 -0.029 0.000 1.067 424 F CA 1.694 59.678 58.000 -0.026 0.000 1.304 424 F CB -1.258 37.722 39.000 -0.032 0.000 1.087 424 F HN 0.308 nan 8.300 nan 0.000 0.513 425 T N -3.300 111.372 114.554 0.197 0.000 2.939 425 T HA 0.362 4.712 4.350 0.000 0.000 0.254 425 T C 1.994 176.725 174.700 0.052 0.000 1.041 425 T CA 1.003 63.153 62.100 0.082 0.000 1.142 425 T CB -0.296 68.588 68.868 0.026 0.000 0.874 425 T HN 0.481 nan 8.240 nan 0.000 0.452 426 G N 1.283 110.113 108.800 0.051 0.000 2.213 426 G HA2 -0.170 3.790 3.960 0.000 0.000 0.236 426 G HA3 -0.170 3.790 3.960 0.000 0.000 0.236 426 G C -0.062 174.852 174.900 0.024 0.000 0.991 426 G CA -0.065 45.054 45.100 0.030 0.000 0.629 426 G HN 0.633 nan 8.290 nan 0.000 0.517 427 I N 4.083 124.665 120.570 0.021 0.000 2.337 427 I HA 0.360 4.530 4.170 0.000 0.000 0.291 427 I C -1.527 174.599 176.117 0.014 0.000 1.046 427 I CA -2.376 58.929 61.300 0.008 0.000 1.324 427 I CB 0.968 38.961 38.000 -0.013 0.000 1.409 427 I HN -0.080 nan 8.210 nan 0.000 0.494 428 P HA 0.059 nan 4.420 nan 0.000 0.265 428 P C 0.289 177.603 177.300 0.024 0.000 1.193 428 P CA -0.072 63.039 63.100 0.018 0.000 0.765 428 P CB 0.481 32.185 31.700 0.008 0.000 0.823 429 G N 3.214 112.039 108.800 0.041 0.000 2.634 429 G HA2 0.352 4.312 3.960 0.000 0.000 0.255 429 G HA3 0.352 4.312 3.960 0.000 0.000 0.255 429 G C -0.431 174.497 174.900 0.047 0.000 1.205 429 G CA -0.389 44.751 45.100 0.066 0.000 0.884 429 G HN 0.385 nan 8.290 nan 0.000 0.549 430 K N -0.099 120.341 120.400 0.067 0.000 2.501 430 K HA 0.324 4.644 4.320 0.000 0.000 0.252 430 K C -1.463 175.153 176.600 0.027 0.000 0.934 430 K CA -0.623 55.688 56.287 0.039 0.000 0.797 430 K CB 2.702 35.225 32.500 0.039 0.000 1.270 430 K HN 0.344 nan 8.250 nan 0.000 0.431 431 L N 3.091 124.308 121.223 -0.009 0.000 2.313 431 L HA 0.284 4.624 4.340 0.000 0.000 0.273 431 L C -0.888 175.965 176.870 -0.027 0.000 1.028 431 L CA -0.865 53.952 54.840 -0.038 0.000 0.871 431 L CB 1.016 43.034 42.059 -0.069 0.000 1.242 431 L HN 0.253 nan 8.230 nan 0.000 0.434 432 V N 4.911 124.816 119.914 -0.016 0.000 2.405 432 V HA 0.303 4.423 4.120 0.000 0.000 0.264 432 V C 0.823 176.906 176.094 -0.017 0.000 1.048 432 V CA -0.631 61.664 62.300 -0.009 0.000 0.966 432 V CB 0.553 32.373 31.823 -0.005 0.000 1.015 432 V HN 0.655 nan 8.190 nan 0.000 0.477 433 R N 2.459 122.952 120.500 -0.012 0.000 2.734 433 R HA 0.097 4.437 4.340 0.000 0.000 0.266 433 R C 1.334 177.635 176.300 0.001 0.000 1.044 433 R CA -0.240 55.855 56.100 -0.008 0.000 1.128 433 R CB 0.646 30.944 30.300 -0.002 0.000 1.010 433 R HN 0.687 nan 8.270 nan 0.000 0.461 434 L N 3.244 124.472 121.223 0.008 0.000 2.042 434 L HA -0.252 4.088 4.340 0.000 0.000 0.210 434 L C 1.952 178.819 176.870 -0.005 0.000 1.076 434 L CA 1.867 56.711 54.840 0.005 0.000 0.749 434 L CB -0.083 42.003 42.059 0.045 0.000 0.893 434 L HN 0.451 nan 8.230 nan 0.000 0.432 435 K N -0.014 120.395 120.400 0.015 0.000 2.057 435 K HA -0.157 4.163 4.320 0.000 0.000 0.207 435 K C 1.852 178.470 176.600 0.030 0.000 1.049 435 K CA 1.655 57.954 56.287 0.020 0.000 0.931 435 K CB -0.938 31.580 32.500 0.029 0.000 0.714 435 K HN 0.451 nan 8.250 nan 0.000 0.440 436 D N 0.535 120.956 120.400 0.035 0.000 2.104 436 D HA -0.117 4.523 4.640 0.000 0.000 0.194 436 D C 1.853 178.206 176.300 0.089 0.000 0.994 436 D CA 1.428 55.462 54.000 0.057 0.000 0.830 436 D CB -0.399 40.428 40.800 0.046 0.000 0.959 436 D HN 0.190 nan 8.370 nan 0.000 0.452 437 T N 1.099 115.689 114.554 0.060 0.000 2.622 437 T HA -0.127 4.223 4.350 0.000 0.000 0.266 437 T C 2.317 177.095 174.700 0.130 0.000 1.047 437 T CA 1.180 63.333 62.100 0.089 0.000 1.159 437 T CB -0.534 68.314 68.868 -0.034 0.000 0.863 437 T HN -0.033 nan 8.240 nan 0.000 0.422 438 V N 1.606 121.513 119.914 -0.012 0.000 2.287 438 V HA -0.194 3.926 4.120 0.000 0.000 0.248 438 V C 2.847 178.993 176.094 0.087 0.000 1.053 438 V CA 1.775 64.047 62.300 -0.046 0.000 1.027 438 V CB -1.270 30.458 31.823 -0.158 0.000 0.646 438 V HN 0.560 nan 8.190 nan 0.000 0.447 439 A N -0.408 122.468 122.820 0.093 0.000 1.845 439 A HA -0.232 4.088 4.320 0.000 0.000 0.215 439 A C 2.476 180.158 177.584 0.164 0.000 1.195 439 A CA 2.360 54.464 52.037 0.113 0.000 0.616 439 A CB -0.999 18.055 19.000 0.089 0.000 0.832 439 A HN 0.493 nan 8.150 nan 0.000 0.443 440 S N -0.623 115.196 115.700 0.198 0.000 2.404 440 S HA -0.233 4.237 4.470 0.000 0.000 0.230 440 S C 1.644 176.387 174.600 0.238 0.000 1.046 440 S CA 2.007 60.342 58.200 0.225 0.000 1.135 440 S CB -0.725 62.712 63.200 0.394 0.000 1.056 440 S HN 0.500 nan 8.310 nan 0.000 0.426 441 F N 1.790 121.881 119.950 0.235 0.000 2.161 441 F HA -0.101 4.426 4.527 -0.000 0.000 0.300 441 F C 2.369 178.243 175.800 0.122 0.000 1.089 441 F CA 1.411 59.530 58.000 0.198 0.000 1.282 441 F CB -0.312 38.756 39.000 0.114 0.000 1.010 441 F HN 0.142 nan 8.300 nan 0.000 0.485 442 K N 0.429 120.986 120.400 0.261 0.000 1.991 442 K HA -0.221 4.099 4.320 0.000 0.000 0.212 442 K C 2.318 179.008 176.600 0.149 0.000 1.049 442 K CA 1.432 57.819 56.287 0.168 0.000 0.932 442 K CB -0.437 32.139 32.500 0.127 0.000 0.717 442 K HN 0.206 nan 8.250 nan 0.000 0.441 443 A N 0.669 123.590 122.820 0.169 0.000 1.940 443 A HA -0.131 4.189 4.320 0.000 0.000 0.219 443 A C 2.227 179.944 177.584 0.223 0.000 1.176 443 A CA 1.811 53.968 52.037 0.199 0.000 0.631 443 A CB -0.639 18.551 19.000 0.317 0.000 0.814 443 A HN 0.218 nan 8.150 nan 0.000 0.446 444 V N -0.198 119.826 119.914 0.185 0.000 2.515 444 V HA -0.220 3.900 4.120 0.000 0.000 0.250 444 V C 2.455 178.590 176.094 0.069 0.000 1.058 444 V CA 1.802 64.171 62.300 0.115 0.000 1.064 444 V CB -0.686 31.090 31.823 -0.077 0.000 0.675 444 V HN 0.562 nan 8.190 nan 0.000 0.461 445 L N -0.456 120.821 121.223 0.089 0.000 2.156 445 L HA -0.063 4.277 4.340 0.000 0.000 0.208 445 L C 2.074 178.975 176.870 0.051 0.000 1.095 445 L CA 1.136 56.018 54.840 0.070 0.000 0.770 445 L CB -0.398 41.718 42.059 0.095 0.000 0.914 445 L HN 0.318 nan 8.230 nan 0.000 0.439 446 E N 0.111 120.346 120.200 0.058 0.000 2.438 446 E HA 0.024 4.374 4.350 0.000 0.000 0.192 446 E C 1.400 178.006 176.600 0.009 0.000 1.110 446 E CA 0.436 56.855 56.400 0.033 0.000 0.893 446 E CB -0.063 29.657 29.700 0.034 0.000 0.990 446 E HN 0.487 nan 8.360 nan 0.000 0.490 447 G N 1.621 110.429 108.800 0.012 0.000 2.196 447 G HA2 -0.422 3.538 3.960 0.000 0.000 0.268 447 G HA3 -0.422 3.538 3.960 0.000 0.000 0.268 447 G C 0.984 175.860 174.900 -0.040 0.000 0.975 447 G CA 0.885 45.980 45.100 -0.007 0.000 0.648 447 G HN 0.328 nan 8.290 nan 0.000 0.538 448 K N -1.051 119.306 120.400 -0.072 0.000 2.360 448 K HA 0.045 4.365 4.320 0.000 0.000 0.201 448 K C 0.351 176.636 176.600 -0.524 0.000 1.046 448 K CA 0.998 57.118 56.287 -0.278 0.000 0.945 448 K CB -0.050 32.256 32.500 -0.324 0.000 0.750 448 K HN 0.584 nan 8.250 nan 0.000 0.464 449 Y N -0.539 119.761 120.300 0.001 0.000 2.516 449 Y HA 0.131 4.681 4.550 0.000 0.000 0.341 449 Y C -0.004 175.930 175.900 0.058 0.000 0.912 449 Y CA -0.649 57.467 58.100 0.027 0.000 1.167 449 Y CB 0.643 39.133 38.460 0.049 0.000 1.195 449 Y HN -0.065 nan 8.280 nan 0.000 0.610 450 D N -0.008 120.445 120.400 0.088 0.000 2.327 450 D HA -0.084 4.556 4.640 0.000 0.000 0.205 450 D C 1.569 177.906 176.300 0.061 0.000 0.989 450 D CA 0.884 54.919 54.000 0.058 0.000 0.873 450 D CB 0.166 40.972 40.800 0.009 0.000 0.955 450 D HN 0.392 nan 8.370 nan 0.000 0.515 451 N N 0.670 119.402 118.700 0.053 0.000 2.322 451 N HA -0.049 4.691 4.740 0.000 0.000 0.194 451 N C -0.012 175.538 175.510 0.067 0.000 1.126 451 N CA 0.030 53.107 53.050 0.044 0.000 0.845 451 N CB 0.156 38.653 38.487 0.016 0.000 0.976 451 N HN 0.051 nan 8.380 nan 0.000 0.475 452 I N 2.756 123.398 120.570 0.120 0.000 2.441 452 I HA 0.234 4.404 4.170 0.000 0.000 0.287 452 I C -1.867 174.355 176.117 0.174 0.000 1.049 452 I CA -1.925 59.444 61.300 0.115 0.000 1.381 452 I CB 0.358 38.409 38.000 0.085 0.000 1.409 452 I HN -0.036 nan 8.210 nan 0.000 0.523 453 P HA 0.207 nan 4.420 nan 0.000 0.274 453 P C 0.540 177.981 177.300 0.236 0.000 1.237 453 P CA -0.371 62.810 63.100 0.135 0.000 0.793 453 P CB 1.288 33.041 31.700 0.088 0.000 0.977 454 E N -0.014 120.314 120.200 0.214 0.000 2.085 454 E HA -0.274 4.076 4.350 0.000 0.000 0.194 454 E C 1.650 178.447 176.600 0.329 0.000 0.994 454 E CA 1.374 57.929 56.400 0.258 0.000 0.801 454 E CB -0.345 29.425 29.700 0.117 0.000 0.743 454 E HN 0.586 nan 8.360 nan 0.000 0.453 455 H N -0.224 118.927 119.070 0.135 0.000 2.521 455 H HA 0.051 4.607 4.556 0.000 0.000 0.286 455 H C 1.543 176.954 175.328 0.139 0.000 1.034 455 H CA 1.096 57.222 56.048 0.130 0.000 1.278 455 H CB 0.010 29.816 29.762 0.073 0.000 1.386 455 H HN 0.167 nan 8.280 nan 0.000 0.567 456 A N -0.558 122.253 122.820 -0.015 0.000 2.014 456 A HA -0.051 4.269 4.320 0.000 0.000 0.218 456 A C 1.587 178.974 177.584 -0.329 0.000 1.163 456 A CA 0.866 52.758 52.037 -0.241 0.000 0.652 456 A CB -0.774 18.019 19.000 -0.344 0.000 0.808 456 A HN 0.417 nan 8.150 nan 0.000 0.449 457 F N -2.308 117.606 119.950 -0.060 0.000 2.780 457 F HA 0.154 4.681 4.527 -0.000 0.000 0.299 457 F C 0.680 176.585 175.800 0.174 0.000 1.146 457 F CA -0.036 57.960 58.000 -0.006 0.000 1.428 457 F CB -0.188 38.785 39.000 -0.044 0.000 1.115 457 F HN 0.268 nan 8.300 nan 0.000 0.583 458 Y N 1.595 121.946 120.300 0.084 0.000 2.336 458 Y HA 0.319 4.869 4.550 -0.000 0.000 0.335 458 Y C 0.506 176.414 175.900 0.014 0.000 1.046 458 Y CA -1.813 56.327 58.100 0.067 0.000 1.198 458 Y CB 0.232 38.728 38.460 0.060 0.000 1.182 458 Y HN 0.003 nan 8.280 nan 0.000 0.502 459 M N 6.156 125.465 119.600 -0.485 0.000 2.852 459 M HA -0.158 4.322 4.480 0.000 0.000 0.176 459 M C -1.186 175.013 176.300 -0.169 0.000 1.160 459 M CA 0.959 56.004 55.300 -0.424 0.000 0.702 459 M CB -2.594 29.632 32.600 -0.623 0.000 1.193 459 M HN 0.435 nan 8.290 nan 0.000 0.775 460 V N -2.366 117.520 119.914 -0.048 0.000 3.165 460 V HA 1.074 5.194 4.120 0.000 0.000 0.309 460 V C 0.600 176.716 176.094 0.037 0.000 1.267 460 V CA -0.256 62.048 62.300 0.007 0.000 1.067 460 V CB 1.476 33.323 31.823 0.041 0.000 1.082 460 V HN 0.483 nan 8.190 nan 0.000 0.451 461 G N -0.229 108.600 108.800 0.047 0.000 3.199 461 G HA2 0.583 4.543 3.960 0.000 0.000 0.184 461 G HA3 0.583 4.543 3.960 0.000 0.000 0.184 461 G C 0.516 175.466 174.900 0.083 0.000 1.974 461 G CA 0.049 45.174 45.100 0.041 0.000 0.885 461 G HN 1.388 nan 8.290 nan 0.000 0.575 462 G N -1.019 107.839 108.800 0.095 0.000 2.543 462 G HA2 0.365 4.325 3.960 0.000 0.000 0.290 462 G HA3 0.365 4.325 3.960 0.000 0.000 0.290 462 G C 0.789 175.808 174.900 0.197 0.000 1.310 462 G CA -0.151 45.046 45.100 0.163 0.000 1.025 462 G HN 0.371 nan 8.290 nan 0.000 0.502 463 I N 0.426 121.078 120.570 0.137 0.000 2.423 463 I HA -0.051 4.119 4.170 0.000 0.000 0.254 463 I C 2.929 178.910 176.117 -0.226 0.000 1.151 463 I CA 2.461 63.657 61.300 -0.173 0.000 1.421 463 I CB -0.416 37.419 38.000 -0.275 0.000 1.079 463 I HN 0.693 nan 8.210 nan 0.000 0.431 464 E N -0.269 119.876 120.200 -0.093 0.000 2.153 464 E HA -0.253 4.097 4.350 0.000 0.000 0.194 464 E C 1.793 178.336 176.600 -0.095 0.000 0.988 464 E CA 1.663 58.015 56.400 -0.079 0.000 0.811 464 E CB -0.952 28.730 29.700 -0.029 0.000 0.746 464 E HN 0.604 nan 8.360 nan 0.000 0.466 465 D N -0.107 120.247 120.400 -0.078 0.000 2.178 465 D HA -0.069 4.571 4.640 0.000 0.000 0.202 465 D C 2.049 178.255 176.300 -0.157 0.000 0.974 465 D CA 1.179 55.131 54.000 -0.080 0.000 0.841 465 D CB -0.081 40.701 40.800 -0.029 0.000 0.953 465 D HN 0.356 nan 8.370 nan 0.000 0.478 466 V N 0.515 120.270 119.914 -0.265 0.000 2.229 466 V HA -0.208 3.912 4.120 0.000 0.000 0.243 466 V C 2.679 178.541 176.094 -0.387 0.000 1.042 466 V CA 1.014 63.032 62.300 -0.470 0.000 1.000 466 V CB -0.615 30.668 31.823 -0.900 0.000 0.637 466 V HN 0.036 nan 8.190 nan 0.000 0.446 467 V N 0.379 120.087 119.914 -0.343 0.000 2.277 467 V HA -0.388 3.732 4.120 0.000 0.000 0.253 467 V C 2.686 178.703 176.094 -0.127 0.000 1.067 467 V CA 2.562 64.751 62.300 -0.185 0.000 1.047 467 V CB -1.192 30.574 31.823 -0.095 0.000 0.649 467 V HN 0.602 nan 8.190 nan 0.000 0.447 468 A N -0.924 121.826 122.820 -0.118 0.000 1.855 468 A HA -0.250 4.070 4.320 0.000 0.000 0.215 468 A C 2.348 179.880 177.584 -0.086 0.000 1.191 468 A CA 2.037 54.025 52.037 -0.081 0.000 0.613 468 A CB -0.545 18.415 19.000 -0.066 0.000 0.829 468 A HN 0.498 nan 8.150 nan 0.000 0.442 469 K N -0.307 120.022 120.400 -0.117 0.000 2.281 469 K HA -0.099 4.221 4.320 0.000 0.000 0.203 469 K C 2.059 178.597 176.600 -0.104 0.000 1.046 469 K CA 1.000 57.219 56.287 -0.112 0.000 0.938 469 K CB -0.262 32.148 32.500 -0.149 0.000 0.737 469 K HN 0.424 nan 8.250 nan 0.000 0.458 470 A N 1.236 123.980 122.820 -0.126 0.000 1.841 470 A HA -0.177 4.143 4.320 0.000 0.000 0.214 470 A C 2.219 179.775 177.584 -0.047 0.000 1.195 470 A CA 2.163 54.143 52.037 -0.095 0.000 0.611 470 A CB -1.105 17.826 19.000 -0.116 0.000 0.835 470 A HN 0.532 nan 8.150 nan 0.000 0.443 471 E N -0.522 119.652 120.200 -0.044 0.000 2.171 471 E HA -0.242 4.108 4.350 0.000 0.000 0.197 471 E C 2.175 178.766 176.600 -0.016 0.000 0.997 471 E CA 2.913 59.298 56.400 -0.024 0.000 0.810 471 E CB -1.430 28.256 29.700 -0.024 0.000 0.738 471 E HN 0.893 nan 8.360 nan 0.000 0.467 472 K N 0.616 121.004 120.400 -0.021 0.000 2.103 472 K HA 0.082 4.402 4.320 0.000 0.000 0.207 472 K C 2.357 178.961 176.600 0.007 0.000 1.048 472 K CA 1.437 57.718 56.287 -0.009 0.000 0.930 472 K CB -0.902 31.590 32.500 -0.014 0.000 0.716 472 K HN 0.522 nan 8.250 nan 0.000 0.444 473 L N -0.502 120.728 121.223 0.011 0.000 2.201 473 L HA -0.026 4.314 4.340 0.000 0.000 0.212 473 L C 3.021 179.905 176.870 0.023 0.000 1.105 473 L CA 1.077 55.937 54.840 0.032 0.000 0.775 473 L CB -0.392 41.697 42.059 0.050 0.000 0.913 473 L HN 0.460 nan 8.230 nan 0.000 0.440 474 A N 0.214 123.041 122.820 0.011 0.000 1.887 474 A HA 0.293 4.613 4.320 0.000 0.000 0.212 474 A C 1.711 179.299 177.584 0.007 0.000 1.198 474 A CA 0.589 52.631 52.037 0.009 0.000 0.628 474 A CB -0.490 18.512 19.000 0.004 0.000 0.847 474 A HN 0.281 nan 8.150 nan 0.000 0.449 475 A N 0.000 122.823 122.820 0.004 0.000 2.254 475 A HA 0.000 4.320 4.320 0.000 0.000 0.244 475 A CA 0.000 52.039 52.037 0.003 0.000 0.836 475 A CB 0.000 19.001 19.000 0.001 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486