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 2r9v_1_A DATA FIRST_RESID 17 DATA SEQUENCE KSFEEKIDLE DTGKVIQVGD GIARAYGLNK VXVSELVEFV ETGVKGVAFN DATA SEQUENCE LEEDNVGIII LGEYKDIKEG HTVRRLKRII EVPVGEELLG RVVNPLGEPL DATA SEQUENCE DGKGPINAKN FRPIEIKAPG VIYRKPVDTP LQTGIKAIDS XIPIGRGQRE DATA SEQUENCE LIIGDRQTGK TAIAIDTIIN QKGQGVYCIY VAIGQKKSAI ARIIDKLRQY DATA SEQUENCE GAXEYTTVVV ASASDPASLQ YIAPYAGCAX GEYFAYSGRD ALVVYDDLSK DATA SEQUENCE HAVAYRQLSL LXRRPPGREA YPGDIFYLHS RLLERAVRLN DKLGGGSLTA DATA SEQUENCE LPIVETQAND ISAYIPTNVI SITDGQIYLE PGLFYAGQRP AINVGLSVSR DATA SEQUENCE VGGSAQIKAX KQVAGXLRID LAQYRELETF AQFATELDPA TRAQIIRGQR DATA SEQUENCE LXELLKQEQY SPXPVEEQVV VLFAGVRGYL DDLPVEEVRR FEKEFLRFXH DATA SEQUENCE EKHQDILDDI KTKKELTSET EEKLKKAIEE FKTTFRV 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.552 176.600 -0.080 0.000 0.988 17 K CA 0.000 56.277 56.287 -0.017 0.000 0.838 17 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 18 S N 0.046 115.654 115.700 -0.153 0.000 2.387 18 S HA 0.144 4.614 4.470 -0.001 0.000 0.230 18 S C 1.228 175.416 174.600 -0.687 0.000 1.035 18 S CA 2.078 60.005 58.200 -0.455 0.000 1.014 18 S CB -0.481 62.381 63.200 -0.564 0.000 0.836 18 S HN 0.699 nan 8.310 nan 0.000 0.466 19 F N 1.442 121.393 119.950 0.002 0.000 2.790 19 F HA 0.259 4.786 4.527 -0.000 0.000 0.371 19 F C 0.262 176.064 175.800 0.004 0.000 1.293 19 F CA -1.093 56.908 58.000 0.002 0.000 1.205 19 F CB 0.285 39.285 39.000 -0.001 0.000 1.047 19 F HN 0.282 nan 8.300 nan 0.000 0.510 20 E N -0.125 120.143 120.200 0.113 0.000 2.373 20 E HA 0.154 4.504 4.350 -0.001 0.000 0.263 20 E C -0.253 176.393 176.600 0.077 0.000 1.073 20 E CA -0.720 55.731 56.400 0.084 0.000 0.894 20 E CB 1.124 30.849 29.700 0.043 0.000 1.008 20 E HN 0.344 nan 8.360 nan 0.000 0.420 21 E N 0.646 120.889 120.200 0.071 0.000 2.324 21 E HA 0.050 4.399 4.350 -0.001 0.000 0.271 21 E C 0.879 177.512 176.600 0.055 0.000 1.028 21 E CA 0.385 56.829 56.400 0.073 0.000 0.890 21 E CB 0.918 30.670 29.700 0.087 0.000 1.004 21 E HN 0.639 nan 8.360 nan 0.000 0.431 22 K N 5.103 125.536 120.400 0.054 0.000 2.098 22 K HA 0.034 4.354 4.320 -0.001 0.000 0.203 22 K C 1.107 177.725 176.600 0.031 0.000 1.051 22 K CA 1.339 57.647 56.287 0.036 0.000 0.957 22 K CB -0.830 31.689 32.500 0.033 0.000 0.738 22 K HN 0.660 nan 8.250 nan 0.000 0.447 23 I N -1.150 119.446 120.570 0.044 0.000 2.612 23 I HA 0.353 4.523 4.170 -0.001 0.000 0.295 23 I C -0.363 175.759 176.117 0.008 0.000 1.011 23 I CA -0.898 60.419 61.300 0.028 0.000 1.326 23 I CB 1.314 39.339 38.000 0.042 0.000 1.427 23 I HN 0.059 nan 8.210 nan 0.000 0.537 24 D N 4.627 125.019 120.400 -0.012 0.000 2.346 24 D HA 0.139 4.779 4.640 -0.001 0.000 0.260 24 D C 0.676 176.941 176.300 -0.057 0.000 1.252 24 D CA 0.103 54.085 54.000 -0.030 0.000 0.895 24 D CB 0.826 41.607 40.800 -0.032 0.000 1.097 24 D HN 0.660 nan 8.370 nan 0.000 0.489 25 L N 3.019 124.195 121.223 -0.078 0.000 2.465 25 L HA -0.023 4.317 4.340 -0.001 0.000 0.224 25 L C 1.986 178.770 176.870 -0.143 0.000 1.145 25 L CA 0.566 55.317 54.840 -0.148 0.000 0.834 25 L CB -0.045 41.903 42.059 -0.186 0.000 0.944 25 L HN 0.466 nan 8.230 nan 0.000 0.451 26 E N -0.013 120.128 120.200 -0.098 0.000 2.086 26 E HA -0.129 4.221 4.350 -0.001 0.000 0.190 26 E C 0.781 177.329 176.600 -0.086 0.000 0.975 26 E CA 0.933 57.281 56.400 -0.088 0.000 0.813 26 E CB 0.193 29.855 29.700 -0.064 0.000 0.768 26 E HN 0.420 nan 8.360 nan 0.000 0.457 27 D N -0.352 120.002 120.400 -0.077 0.000 2.433 27 D HA 0.107 4.747 4.640 -0.001 0.000 0.211 27 D C -0.330 175.923 176.300 -0.079 0.000 1.114 27 D CA 0.369 54.326 54.000 -0.072 0.000 0.837 27 D CB 1.103 41.869 40.800 -0.056 0.000 0.984 27 D HN -0.069 nan 8.370 nan 0.000 0.505 28 T N -0.516 113.987 114.554 -0.084 0.000 2.903 28 T HA 0.730 5.080 4.350 -0.001 0.000 0.299 28 T C 0.025 174.674 174.700 -0.085 0.000 1.093 28 T CA -0.811 61.245 62.100 -0.073 0.000 1.002 28 T CB 2.547 71.389 68.868 -0.044 0.000 1.127 28 T HN 0.041 nan 8.240 nan 0.000 0.488 29 G N 1.207 109.972 108.800 -0.058 0.000 2.721 29 G HA2 0.729 4.688 3.960 -0.001 0.000 0.296 29 G HA3 0.729 4.688 3.960 -0.001 0.000 0.296 29 G C -2.037 172.897 174.900 0.056 0.000 1.383 29 G CA -0.740 44.341 45.100 -0.031 0.000 0.788 29 G HN 0.466 nan 8.290 nan 0.000 0.500 30 K N 0.188 120.667 120.400 0.132 0.000 2.513 30 K HA 0.448 4.767 4.320 -0.001 0.000 0.251 30 K C -0.800 175.890 176.600 0.149 0.000 0.939 30 K CA -0.641 55.741 56.287 0.158 0.000 0.793 30 K CB 2.498 35.112 32.500 0.189 0.000 1.241 30 K HN 0.332 nan 8.250 nan 0.000 0.431 31 V N 4.788 124.798 119.914 0.160 0.000 2.521 31 V HA 0.069 4.188 4.120 -0.001 0.000 0.286 31 V C 1.637 177.783 176.094 0.086 0.000 1.034 31 V CA 0.231 62.621 62.300 0.150 0.000 1.045 31 V CB 0.108 32.045 31.823 0.189 0.000 0.974 31 V HN 0.756 nan 8.190 nan 0.000 0.480 32 I N 1.266 121.875 120.570 0.065 0.000 4.181 32 I HA 0.444 4.614 4.170 -0.001 0.000 0.331 32 I C 0.530 176.653 176.117 0.010 0.000 1.312 32 I CA 0.288 61.604 61.300 0.026 0.000 1.146 32 I CB 0.434 38.445 38.000 0.019 0.000 1.074 32 I HN 0.622 nan 8.210 nan 0.000 0.402 33 Q N 1.382 121.193 119.800 0.019 0.000 2.403 33 Q HA 0.583 4.923 4.340 -0.001 0.000 0.267 33 Q C -2.114 173.895 176.000 0.015 0.000 0.991 33 Q CA -0.453 55.354 55.803 0.006 0.000 0.906 33 Q CB 3.630 32.367 28.738 -0.001 0.000 1.422 33 Q HN 0.113 nan 8.270 nan 0.000 0.400 34 V N 2.118 122.032 119.914 0.001 0.000 2.851 34 V HA 1.002 5.122 4.120 -0.001 0.000 0.307 34 V C -1.175 174.910 176.094 -0.014 0.000 1.129 34 V CA 0.658 62.955 62.300 -0.005 0.000 0.932 34 V CB 1.917 33.737 31.823 -0.005 0.000 1.024 34 V HN 0.952 nan 8.190 nan 0.000 0.426 35 G N 3.436 112.197 108.800 -0.065 0.000 2.358 35 G HA2 0.463 4.423 3.960 -0.001 0.000 0.301 35 G HA3 0.463 4.423 3.960 -0.001 0.000 0.301 35 G C -0.846 173.879 174.900 -0.291 0.000 1.539 35 G CA 0.078 45.122 45.100 -0.092 0.000 0.893 35 G HN 1.006 nan 8.290 nan 0.000 0.636 36 D N -0.750 119.406 120.400 -0.407 0.000 2.751 36 D HA -0.121 4.519 4.640 -0.001 0.000 0.233 36 D C 1.601 177.469 176.300 -0.720 0.000 1.149 36 D CA 2.938 56.662 54.000 -0.461 0.000 0.682 36 D CB -1.199 39.494 40.800 -0.179 0.000 1.068 36 D HN 2.343 nan 8.370 nan 0.000 0.429 37 G N -1.074 106.817 108.800 -1.515 0.000 2.160 37 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.251 37 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.251 37 G C 0.179 174.883 174.900 -0.327 0.000 1.008 37 G CA 0.476 45.039 45.100 -0.894 0.000 0.724 37 G HN 0.488 nan 8.290 nan 0.000 0.514 38 I N -0.325 120.089 120.570 -0.261 0.000 2.828 38 I HA 0.863 5.032 4.170 -0.001 0.000 0.302 38 I C 0.239 176.358 176.117 0.003 0.000 1.101 38 I CA -0.911 60.371 61.300 -0.030 0.000 1.031 38 I CB 1.739 39.739 38.000 0.000 0.000 1.231 38 I HN 0.535 nan 8.210 nan 0.000 0.427 39 A N 4.877 127.763 122.820 0.110 0.000 2.515 39 A HA 0.912 5.231 4.320 -0.001 0.000 0.296 39 A C -0.898 176.738 177.584 0.087 0.000 1.094 39 A CA -0.696 51.411 52.037 0.118 0.000 0.718 39 A CB 2.223 21.365 19.000 0.236 0.000 1.307 39 A HN 0.579 nan 8.150 nan 0.000 0.408 40 R N 0.057 120.589 120.500 0.052 0.000 2.562 40 R HA 0.785 5.125 4.340 -0.001 0.000 0.298 40 R C -0.703 175.615 176.300 0.030 0.000 0.961 40 R CA -0.373 55.726 56.100 -0.002 0.000 0.881 40 R CB 1.694 31.983 30.300 -0.019 0.000 1.159 40 R HN 1.039 nan 8.270 nan 0.000 0.450 41 A N 2.581 125.401 122.820 -0.000 0.000 2.386 41 A HA 0.457 4.776 4.320 -0.001 0.000 0.311 41 A C -1.417 176.199 177.584 0.052 0.000 1.068 41 A CA -0.702 51.356 52.037 0.035 0.000 0.743 41 A CB 1.137 20.134 19.000 -0.005 0.000 1.258 41 A HN 0.666 nan 8.150 nan 0.000 0.429 42 Y N 2.193 122.470 120.300 -0.038 0.000 2.336 42 Y HA 0.459 5.009 4.550 -0.001 0.000 0.331 42 Y C 0.957 176.830 175.900 -0.046 0.000 1.211 42 Y CA 1.292 59.367 58.100 -0.043 0.000 1.346 42 Y CB 0.524 38.968 38.460 -0.026 0.000 1.271 42 Y HN 1.965 nan 8.280 nan 0.000 0.538 43 G N 3.382 111.804 108.800 -0.631 0.000 2.512 43 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.240 43 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.240 43 G C -0.034 174.707 174.900 -0.265 0.000 1.246 43 G CA -0.326 44.461 45.100 -0.522 0.000 0.919 43 G HN 1.511 nan 8.290 nan 0.000 0.577 44 L N -0.609 120.494 121.223 -0.199 0.000 3.678 44 L HA -0.229 4.110 4.340 -0.001 0.000 0.425 44 L C 1.614 178.398 176.870 -0.142 0.000 1.240 44 L CA 0.591 55.341 54.840 -0.150 0.000 0.876 44 L CB -1.429 40.545 42.059 -0.140 0.000 1.766 44 L HN 0.645 nan 8.230 nan 0.000 0.917 45 N N 0.480 119.089 118.700 -0.152 0.000 2.348 45 N HA -0.124 4.615 4.740 -0.001 0.000 0.185 45 N C 1.406 176.861 175.510 -0.093 0.000 1.019 45 N CA 1.266 54.240 53.050 -0.127 0.000 0.880 45 N CB 0.037 38.448 38.487 -0.126 0.000 0.965 45 N HN 0.488 nan 8.380 nan 0.000 0.437 46 K N 0.444 120.794 120.400 -0.084 0.000 2.399 46 K HA 0.192 4.512 4.320 -0.001 0.000 0.204 46 K C 0.296 176.859 176.600 -0.061 0.000 1.023 46 K CA -0.280 55.969 56.287 -0.064 0.000 1.127 46 K CB 0.396 32.862 32.500 -0.056 0.000 0.856 46 K HN -0.037 nan 8.250 nan 0.000 0.514 50 S N 1.831 117.566 115.700 0.058 0.000 3.270 50 S HA -0.201 4.268 4.470 -0.001 0.000 0.293 50 S C 0.274 174.896 174.600 0.038 0.000 1.278 50 S CA 1.557 59.790 58.200 0.055 0.000 1.038 50 S CB -1.200 61.998 63.200 -0.003 0.000 1.218 50 S HN 1.162 nan 8.310 nan 0.000 0.659 51 E N 0.645 120.858 120.200 0.023 0.000 2.354 51 E HA 0.429 4.778 4.350 -0.001 0.000 0.269 51 E C 0.045 176.652 176.600 0.012 0.000 1.036 51 E CA -0.456 55.947 56.400 0.006 0.000 0.876 51 E CB 0.467 30.157 29.700 -0.016 0.000 1.009 51 E HN 0.409 nan 8.360 nan 0.000 0.416 52 L N 4.435 125.662 121.223 0.007 0.000 2.397 52 L HA 0.246 4.586 4.340 -0.001 0.000 0.271 52 L C -0.016 176.837 176.870 -0.029 0.000 1.148 52 L CA -0.415 54.430 54.840 0.008 0.000 0.825 52 L CB 1.030 43.095 42.059 0.009 0.000 1.117 52 L HN 0.430 nan 8.230 nan 0.000 0.456 53 V N 0.075 119.960 119.914 -0.049 0.000 3.074 53 V HA 0.641 4.761 4.120 -0.001 0.000 0.314 53 V C -0.863 175.146 176.094 -0.142 0.000 1.117 53 V CA -0.801 61.419 62.300 -0.134 0.000 1.014 53 V CB 2.002 33.687 31.823 -0.229 0.000 1.057 53 V HN 0.814 nan 8.190 nan 0.000 0.438 54 E N 1.053 121.136 120.200 -0.194 0.000 2.234 54 E HA 0.534 4.884 4.350 -0.001 0.000 0.266 54 E C -1.773 174.687 176.600 -0.234 0.000 0.877 54 E CA -0.816 55.514 56.400 -0.116 0.000 0.758 54 E CB 1.804 31.482 29.700 -0.037 0.000 1.170 54 E HN 0.656 nan 8.360 nan 0.000 0.415 55 F N 4.548 124.514 119.950 0.027 0.000 2.439 55 F HA 0.086 4.613 4.527 -0.001 0.000 0.356 55 F C 1.356 177.147 175.800 -0.015 0.000 1.161 55 F CA -0.427 57.590 58.000 0.029 0.000 1.151 55 F CB 0.651 39.693 39.000 0.070 0.000 1.222 55 F HN 0.380 nan 8.300 nan 0.000 0.558 56 V N 2.609 122.562 119.914 0.066 0.000 2.252 56 V HA -0.315 3.804 4.120 -0.001 0.000 0.249 56 V C 1.983 178.063 176.094 -0.024 0.000 1.056 56 V CA 2.111 64.416 62.300 0.007 0.000 1.022 56 V CB -0.450 31.362 31.823 -0.019 0.000 0.641 56 V HN 0.637 nan 8.190 nan 0.000 0.445 57 E N 0.799 120.932 120.200 -0.112 0.000 2.058 57 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 57 E C 2.316 178.857 176.600 -0.098 0.000 0.997 57 E CA 2.171 58.459 56.400 -0.188 0.000 0.801 57 E CB -0.617 28.779 29.700 -0.506 0.000 0.746 57 E HN 0.843 nan 8.360 nan 0.000 0.450 58 T N -4.082 110.443 114.554 -0.048 0.000 3.054 58 T HA 0.226 4.575 4.350 -0.001 0.000 0.259 58 T C 1.793 176.520 174.700 0.044 0.000 1.092 58 T CA 0.585 62.695 62.100 0.017 0.000 1.121 58 T CB 0.181 69.081 68.868 0.052 0.000 0.912 58 T HN 0.330 nan 8.240 nan 0.000 0.489 59 G N 0.903 109.745 108.800 0.071 0.000 2.205 59 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.261 59 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.261 59 G C 0.203 175.168 174.900 0.109 0.000 0.980 59 G CA 0.081 45.224 45.100 0.071 0.000 0.632 59 G HN 0.721 nan 8.290 nan 0.000 0.533 60 V N 1.628 121.630 119.914 0.147 0.000 2.963 60 V HA 0.403 4.523 4.120 -0.001 0.000 0.306 60 V C 0.789 177.078 176.094 0.325 0.000 1.077 60 V CA 0.178 62.582 62.300 0.173 0.000 1.124 60 V CB 1.348 33.221 31.823 0.083 0.000 0.987 60 V HN 0.324 nan 8.190 nan 0.000 0.487 61 K N 1.584 122.146 120.400 0.271 0.000 2.238 61 K HA 0.783 5.102 4.320 -0.001 0.000 0.239 61 K C -0.007 176.801 176.600 0.348 0.000 0.987 61 K CA -0.367 56.076 56.287 0.259 0.000 0.857 61 K CB 2.260 34.841 32.500 0.135 0.000 1.154 61 K HN 0.905 nan 8.250 nan 0.000 0.439 62 G N -0.438 108.532 108.800 0.283 0.000 2.727 62 G HA2 0.573 4.533 3.960 -0.001 0.000 0.289 62 G HA3 0.573 4.533 3.960 -0.001 0.000 0.289 62 G C -1.627 173.371 174.900 0.163 0.000 1.418 62 G CA -0.492 44.786 45.100 0.297 0.000 0.818 62 G HN 0.237 nan 8.290 nan 0.000 0.486 63 V N 0.363 120.388 119.914 0.185 0.000 2.577 63 V HA 0.680 4.800 4.120 -0.001 0.000 0.303 63 V C 0.509 176.715 176.094 0.187 0.000 1.042 63 V CA -0.754 61.642 62.300 0.160 0.000 0.872 63 V CB 1.327 33.262 31.823 0.188 0.000 0.998 63 V HN 1.266 nan 8.190 nan 0.000 0.423 64 A N 4.125 127.006 122.820 0.102 0.000 2.450 64 A HA 0.576 4.895 4.320 -0.001 0.000 0.255 64 A C 0.189 177.857 177.584 0.140 0.000 1.096 64 A CA 0.120 52.179 52.037 0.036 0.000 0.778 64 A CB -0.160 18.818 19.000 -0.037 0.000 1.031 64 A HN 1.203 nan 8.150 nan 0.000 0.494 65 F N 0.583 120.551 119.950 0.031 0.000 2.784 65 F HA 0.401 4.928 4.527 -0.001 0.000 0.323 65 F C 0.092 175.913 175.800 0.034 0.000 1.085 65 F CA -0.546 57.470 58.000 0.027 0.000 1.196 65 F CB 0.361 39.277 39.000 -0.140 0.000 1.053 65 F HN 0.490 nan 8.300 nan 0.000 0.578 66 N N 1.347 119.751 118.700 -0.494 0.000 2.369 66 N HA 0.312 5.051 4.740 -0.001 0.000 0.287 66 N C -0.850 174.502 175.510 -0.263 0.000 1.067 66 N CA -0.337 52.535 53.050 -0.297 0.000 0.888 66 N CB 2.110 40.327 38.487 -0.450 0.000 1.616 66 N HN 0.213 nan 8.380 nan 0.000 0.482 67 L N 1.810 122.962 121.223 -0.119 0.000 2.928 67 L HA 0.276 4.615 4.340 -0.001 0.000 0.246 67 L C 0.792 177.555 176.870 -0.178 0.000 1.239 67 L CA -0.089 54.679 54.840 -0.120 0.000 1.035 67 L CB -0.137 41.899 42.059 -0.037 0.000 1.360 67 L HN 0.508 nan 8.230 nan 0.000 0.529 68 E N 2.315 122.305 120.200 -0.350 0.000 2.415 68 E HA -0.092 4.258 4.350 -0.001 0.000 0.263 68 E C 0.144 176.563 176.600 -0.302 0.000 0.995 68 E CA -0.080 55.990 56.400 -0.549 0.000 0.915 68 E CB 0.641 29.826 29.700 -0.859 0.000 0.951 68 E HN 0.195 nan 8.360 nan 0.000 0.449 69 E N 4.235 124.304 120.200 -0.219 0.000 2.415 69 E HA -0.137 4.213 4.350 -0.001 0.000 0.260 69 E C -0.587 175.940 176.600 -0.122 0.000 1.016 69 E CA 0.144 56.461 56.400 -0.137 0.000 0.924 69 E CB 0.211 29.861 29.700 -0.083 0.000 0.961 69 E HN 0.507 nan 8.360 nan 0.000 0.459 70 D N 3.202 123.528 120.400 -0.124 0.000 2.945 70 D HA -0.248 4.392 4.640 -0.001 0.000 0.225 70 D C -0.616 175.668 176.300 -0.027 0.000 1.158 70 D CA 1.321 55.280 54.000 -0.068 0.000 0.805 70 D CB -1.157 39.660 40.800 0.028 0.000 1.098 70 D HN 0.583 nan 8.370 nan 0.000 0.426 71 N N -0.392 118.243 118.700 -0.108 0.000 2.604 71 N HA 0.113 4.852 4.740 -0.001 0.000 0.284 71 N C -1.183 174.212 175.510 -0.191 0.000 1.716 71 N CA -0.201 52.776 53.050 -0.122 0.000 0.859 71 N CB 0.723 39.126 38.487 -0.141 0.000 1.403 71 N HN -0.114 nan 8.380 nan 0.000 0.501 72 V N 0.622 120.428 119.914 -0.180 0.000 2.572 72 V HA 0.427 4.546 4.120 -0.001 0.000 0.291 72 V C 1.317 177.238 176.094 -0.290 0.000 1.039 72 V CA -0.085 62.071 62.300 -0.239 0.000 1.055 72 V CB 0.885 32.594 31.823 -0.190 0.000 0.969 72 V HN 0.408 nan 8.190 nan 0.000 0.482 73 G N 5.369 113.847 108.800 -0.537 0.000 2.339 73 G HA2 0.621 4.581 3.960 -0.001 0.000 0.287 73 G HA3 0.621 4.581 3.960 -0.001 0.000 0.287 73 G C -0.743 173.724 174.900 -0.721 0.000 1.163 73 G CA -0.399 44.201 45.100 -0.833 0.000 0.872 73 G HN 0.634 nan 8.290 nan 0.000 0.464 74 I N 2.365 122.869 120.570 -0.111 0.000 2.447 74 I HA 0.275 4.445 4.170 -0.001 0.000 0.287 74 I C -0.241 176.108 176.117 0.387 0.000 1.023 74 I CA -0.665 60.734 61.300 0.165 0.000 1.083 74 I CB 2.359 40.468 38.000 0.181 0.000 1.245 74 I HN 0.282 nan 8.210 nan 0.000 0.434 75 I N 6.783 127.609 120.570 0.427 0.000 2.396 75 I HA 0.225 4.394 4.170 -0.001 0.000 0.289 75 I C 0.046 176.304 176.117 0.236 0.000 1.056 75 I CA -0.089 61.372 61.300 0.267 0.000 1.365 75 I CB 0.510 38.639 38.000 0.215 0.000 1.407 75 I HN 0.362 nan 8.210 nan 0.000 0.509 76 I N 7.370 128.042 120.570 0.170 0.000 2.441 76 I HA 0.148 4.318 4.170 -0.001 0.000 0.287 76 I C -0.164 176.042 176.117 0.148 0.000 1.049 76 I CA -0.331 61.068 61.300 0.166 0.000 1.381 76 I CB 0.694 38.715 38.000 0.036 0.000 1.409 76 I HN 0.353 nan 8.210 nan 0.000 0.523 77 L N 7.297 128.618 121.223 0.163 0.000 2.270 77 L HA 0.546 4.886 4.340 -0.001 0.000 0.286 77 L C 0.821 177.758 176.870 0.111 0.000 1.059 77 L CA -0.010 54.910 54.840 0.133 0.000 0.839 77 L CB 0.162 42.299 42.059 0.130 0.000 1.221 77 L HN 1.003 nan 8.230 nan 0.000 0.431 78 G N 2.550 111.415 108.800 0.108 0.000 2.475 78 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.223 78 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.223 78 G C -0.410 174.543 174.900 0.088 0.000 1.201 78 G CA -0.782 44.369 45.100 0.085 0.000 0.962 78 G HN 0.435 nan 8.290 nan 0.000 0.586 79 E N 1.596 121.811 120.200 0.025 0.000 2.159 79 E HA 0.327 4.676 4.350 -0.001 0.000 0.272 79 E C 0.863 177.439 176.600 -0.041 0.000 1.138 79 E CA 0.151 56.521 56.400 -0.050 0.000 0.915 79 E CB 0.118 29.772 29.700 -0.075 0.000 1.028 79 E HN 0.625 nan 8.360 nan 0.000 0.423 80 Y N 3.141 123.398 120.300 -0.070 0.000 2.457 80 Y HA 0.181 4.730 4.550 -0.001 0.000 0.263 80 Y C 1.640 177.483 175.900 -0.096 0.000 1.164 80 Y CA -0.042 57.989 58.100 -0.116 0.000 1.274 80 Y CB 0.014 38.415 38.460 -0.099 0.000 1.097 80 Y HN 0.324 nan 8.280 nan 0.000 0.523 81 K N 0.324 120.508 120.400 -0.360 0.000 2.283 81 K HA -0.123 4.197 4.320 -0.001 0.000 0.202 81 K C 0.388 176.930 176.600 -0.098 0.000 1.048 81 K CA 1.675 57.810 56.287 -0.253 0.000 0.948 81 K CB -0.217 32.106 32.500 -0.294 0.000 0.742 81 K HN 0.290 nan 8.250 nan 0.000 0.458 82 D N 0.927 121.286 120.400 -0.069 0.000 2.350 82 D HA 0.128 4.768 4.640 -0.001 0.000 0.213 82 D C 0.295 176.624 176.300 0.049 0.000 1.031 82 D CA 0.230 54.227 54.000 -0.004 0.000 0.861 82 D CB 0.297 41.103 40.800 0.010 0.000 0.926 82 D HN 0.256 nan 8.370 nan 0.000 0.520 83 I N 2.010 122.569 120.570 -0.018 0.000 2.371 83 I HA 0.077 4.247 4.170 -0.001 0.000 0.290 83 I C 0.398 176.397 176.117 -0.197 0.000 1.028 83 I CA -0.211 61.064 61.300 -0.042 0.000 1.345 83 I CB 0.764 38.632 38.000 -0.220 0.000 1.407 83 I HN -0.446 nan 8.210 nan 0.000 0.501 84 K N 5.477 125.518 120.400 -0.597 0.000 2.281 84 K HA 0.452 4.771 4.320 -0.001 0.000 0.242 84 K C -0.490 175.886 176.600 -0.373 0.000 0.971 84 K CA -0.957 55.024 56.287 -0.511 0.000 0.834 84 K CB 1.250 33.390 32.500 -0.599 0.000 1.181 84 K HN 0.456 nan 8.250 nan 0.000 0.435 85 E N -0.086 120.012 120.200 -0.171 0.000 2.502 85 E HA 0.131 4.481 4.350 -0.001 0.000 0.261 85 E C 0.744 177.311 176.600 -0.056 0.000 0.974 85 E CA 1.270 57.627 56.400 -0.071 0.000 0.936 85 E CB 0.105 29.778 29.700 -0.045 0.000 0.926 85 E HN 0.818 nan 8.360 nan 0.000 0.459 86 G N 2.630 111.447 108.800 0.028 0.000 2.234 86 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.235 86 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.235 86 G C -0.029 174.987 174.900 0.193 0.000 0.997 86 G CA -0.104 45.044 45.100 0.080 0.000 0.623 86 G HN 0.746 nan 8.290 nan 0.000 0.514 87 H N 1.523 120.646 119.070 0.088 0.000 2.790 87 H HA 0.362 4.917 4.556 -0.001 0.000 0.358 87 H C 0.389 175.789 175.328 0.120 0.000 1.103 87 H CA 0.531 56.648 56.048 0.114 0.000 1.426 87 H CB 0.633 30.493 29.762 0.163 0.000 1.424 87 H HN 0.192 nan 8.280 nan 0.000 0.599 88 T N 3.325 117.987 114.554 0.180 0.000 2.897 88 T HA 0.265 4.614 4.350 -0.001 0.000 0.294 88 T C -0.085 174.641 174.700 0.044 0.000 1.004 88 T CA -0.653 61.501 62.100 0.090 0.000 1.106 88 T CB 0.866 69.757 68.868 0.038 0.000 0.949 88 T HN 0.193 nan 8.240 nan 0.000 0.520 89 V N 3.378 123.266 119.914 -0.043 0.000 2.604 89 V HA 0.632 4.752 4.120 -0.001 0.000 0.305 89 V C -0.036 175.963 176.094 -0.158 0.000 1.043 89 V CA -1.025 61.148 62.300 -0.212 0.000 0.888 89 V CB 1.950 33.580 31.823 -0.322 0.000 0.995 89 V HN 0.767 nan 8.190 nan 0.000 0.429 90 R N 2.994 123.387 120.500 -0.178 0.000 2.561 90 R HA 0.545 4.885 4.340 -0.001 0.000 0.297 90 R C -0.408 175.816 176.300 -0.127 0.000 0.969 90 R CA -0.813 55.215 56.100 -0.120 0.000 0.879 90 R CB 1.581 31.831 30.300 -0.084 0.000 1.178 90 R HN 0.731 nan 8.270 nan 0.000 0.445 91 R N 3.703 124.141 120.500 -0.103 0.000 2.570 91 R HA 0.041 4.380 4.340 -0.001 0.000 0.277 91 R C 0.604 176.863 176.300 -0.069 0.000 1.039 91 R CA 0.248 56.295 56.100 -0.088 0.000 1.065 91 R CB 0.571 30.827 30.300 -0.073 0.000 0.964 91 R HN 0.611 nan 8.270 nan 0.000 0.428 92 L N 2.623 123.811 121.223 -0.059 0.000 2.585 92 L HA 0.077 4.417 4.340 -0.001 0.000 0.226 92 L C 0.508 177.356 176.870 -0.037 0.000 1.113 92 L CA 0.166 54.980 54.840 -0.044 0.000 0.876 92 L CB -0.028 42.009 42.059 -0.036 0.000 1.072 92 L HN 0.740 nan 8.230 nan 0.000 0.468 93 K N 0.403 120.780 120.400 -0.038 0.000 3.209 93 K HA -0.194 4.125 4.320 -0.001 0.000 0.289 93 K C 0.348 176.931 176.600 -0.028 0.000 1.191 93 K CA 0.666 56.933 56.287 -0.033 0.000 0.851 93 K CB -0.963 31.517 32.500 -0.033 0.000 1.242 93 K HN 0.227 nan 8.250 nan 0.000 0.480 94 R N 1.252 121.737 120.500 -0.025 0.000 2.476 94 R HA 0.292 4.632 4.340 -0.001 0.000 0.305 94 R C -0.362 175.931 176.300 -0.011 0.000 0.965 94 R CA -0.800 55.288 56.100 -0.020 0.000 0.867 94 R CB 0.824 31.110 30.300 -0.023 0.000 1.176 94 R HN -0.019 nan 8.270 nan 0.000 0.447 95 I N 5.502 126.067 120.570 -0.008 0.000 2.556 95 I HA 0.043 4.213 4.170 -0.001 0.000 0.284 95 I C 1.207 177.332 176.117 0.013 0.000 1.114 95 I CA -0.138 61.163 61.300 0.002 0.000 1.418 95 I CB 0.416 38.415 38.000 -0.002 0.000 1.394 95 I HN 0.695 nan 8.210 nan 0.000 0.552 96 I N 6.844 127.430 120.570 0.027 0.000 2.775 96 I HA -0.068 4.102 4.170 -0.001 0.000 0.290 96 I C 0.545 176.692 176.117 0.049 0.000 1.203 96 I CA 0.455 61.779 61.300 0.039 0.000 1.433 96 I CB 0.302 38.339 38.000 0.061 0.000 1.354 96 I HN 0.610 nan 8.210 nan 0.000 0.579 97 E N 6.280 126.513 120.200 0.055 0.000 2.221 97 E HA 0.540 4.890 4.350 -0.001 0.000 0.268 97 E C -1.121 175.566 176.600 0.145 0.000 0.933 97 E CA -0.863 55.594 56.400 0.095 0.000 0.809 97 E CB 2.411 32.166 29.700 0.093 0.000 1.190 97 E HN 0.473 nan 8.360 nan 0.000 0.406 98 V N -1.548 118.471 119.914 0.176 0.000 2.864 98 V HA 0.578 4.698 4.120 -0.001 0.000 0.314 98 V C -2.643 173.560 176.094 0.181 0.000 1.073 98 V CA -2.861 59.544 62.300 0.175 0.000 0.956 98 V CB 1.565 33.444 31.823 0.092 0.000 1.023 98 V HN 0.515 nan 8.190 nan 0.000 0.435 99 P HA 0.325 nan 4.420 nan 0.000 0.271 99 P C -0.476 176.629 177.300 -0.324 0.000 1.216 99 P CA 0.188 63.040 63.100 -0.413 0.000 0.776 99 P CB 1.406 32.931 31.700 -0.292 0.000 0.881 100 V N -0.927 118.693 119.914 -0.490 0.000 3.130 100 V HA 0.993 5.113 4.120 -0.001 0.000 0.310 100 V C 0.003 175.618 176.094 -0.798 0.000 1.158 100 V CA -0.130 61.885 62.300 -0.475 0.000 1.029 100 V CB 1.294 32.894 31.823 -0.371 0.000 1.057 100 V HN 1.013 nan 8.190 nan 0.000 0.436 101 G N 1.650 109.891 108.800 -0.932 0.000 2.422 101 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.607 101 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.607 101 G C -0.146 174.563 174.900 -0.318 0.000 1.270 101 G CA 0.255 44.651 45.100 -1.173 0.000 0.992 101 G HN 1.063 nan 8.290 nan 0.000 0.499 102 E N 0.187 120.303 120.200 -0.140 0.000 2.171 102 E HA -0.032 4.317 4.350 -0.001 0.000 0.197 102 E C 2.177 178.799 176.600 0.036 0.000 0.997 102 E CA 1.957 58.418 56.400 0.102 0.000 0.810 102 E CB -0.086 29.688 29.700 0.123 0.000 0.738 102 E HN 0.585 nan 8.360 nan 0.000 0.467 103 E N -0.415 119.747 120.200 -0.064 0.000 2.338 103 E HA -0.104 4.246 4.350 -0.001 0.000 0.197 103 E C 1.131 177.708 176.600 -0.039 0.000 1.007 103 E CA 0.502 56.869 56.400 -0.055 0.000 0.849 103 E CB 0.017 29.657 29.700 -0.101 0.000 0.774 103 E HN 0.184 nan 8.360 nan 0.000 0.506 104 L N -0.147 121.054 121.223 -0.037 0.000 2.567 104 L HA 0.121 4.461 4.340 -0.001 0.000 0.225 104 L C 0.283 177.182 176.870 0.049 0.000 1.119 104 L CA 0.219 55.056 54.840 -0.004 0.000 0.871 104 L CB -0.079 41.966 42.059 -0.023 0.000 1.036 104 L HN 0.051 nan 8.230 nan 0.000 0.459 105 L N -0.002 121.274 121.223 0.087 0.000 2.453 105 L HA 0.295 4.634 4.340 -0.001 0.000 0.272 105 L C 1.472 178.368 176.870 0.043 0.000 1.182 105 L CA 0.567 55.467 54.840 0.099 0.000 0.858 105 L CB 0.045 42.198 42.059 0.157 0.000 1.120 105 L HN 0.393 nan 8.230 nan 0.000 0.474 106 G N 1.682 110.488 108.800 0.010 0.000 2.199 106 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.254 106 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.254 106 G C 0.280 175.177 174.900 -0.005 0.000 0.982 106 G CA -0.406 44.686 45.100 -0.013 0.000 0.632 106 G HN 0.467 nan 8.290 nan 0.000 0.529 107 R N -0.171 120.335 120.500 0.010 0.000 2.598 107 R HA 0.703 5.043 4.340 -0.001 0.000 0.279 107 R C -0.218 176.095 176.300 0.023 0.000 0.984 107 R CA -0.794 55.314 56.100 0.013 0.000 0.999 107 R CB 1.620 31.928 30.300 0.012 0.000 1.114 107 R HN 0.217 nan 8.270 nan 0.000 0.493 108 V N 2.738 122.666 119.914 0.024 0.000 2.384 108 V HA 0.441 4.561 4.120 -0.001 0.000 0.287 108 V C 0.174 176.288 176.094 0.033 0.000 1.020 108 V CA -0.710 61.611 62.300 0.036 0.000 0.850 108 V CB 1.452 33.297 31.823 0.036 0.000 0.987 108 V HN 0.607 nan 8.190 nan 0.000 0.436 109 V N 2.041 121.977 119.914 0.037 0.000 3.102 109 V HA 0.778 4.898 4.120 -0.001 0.000 0.312 109 V C -0.376 175.742 176.094 0.039 0.000 1.135 109 V CA -1.015 61.306 62.300 0.035 0.000 1.022 109 V CB 2.204 34.046 31.823 0.031 0.000 1.056 109 V HN 0.817 nan 8.190 nan 0.000 0.436 110 N N 1.102 119.828 118.700 0.042 0.000 2.405 110 N HA 0.500 5.239 4.740 -0.001 0.000 0.269 110 N C -2.217 173.322 175.510 0.050 0.000 1.249 110 N CA -2.065 51.013 53.050 0.047 0.000 0.974 110 N CB 0.036 38.553 38.487 0.051 0.000 1.204 110 N HN 0.385 nan 8.380 nan 0.000 0.565 111 P HA 0.045 nan 4.420 nan 0.000 0.228 111 P C 0.687 178.029 177.300 0.069 0.000 1.151 111 P CA 0.998 64.133 63.100 0.060 0.000 0.770 111 P CB 0.147 31.887 31.700 0.067 0.000 0.786 112 L N -2.814 118.452 121.223 0.071 0.000 2.607 112 L HA 0.319 4.659 4.340 -0.001 0.000 0.228 112 L C 1.424 178.341 176.870 0.078 0.000 1.123 112 L CA 0.561 55.448 54.840 0.079 0.000 0.890 112 L CB -0.637 41.470 42.059 0.080 0.000 1.103 112 L HN 0.100 nan 8.230 nan 0.000 0.468 113 G N 0.278 109.115 108.800 0.063 0.000 2.157 113 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.239 113 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.239 113 G C 0.014 174.943 174.900 0.048 0.000 0.982 113 G CA -0.352 44.779 45.100 0.051 0.000 0.650 113 G HN 0.437 nan 8.290 nan 0.000 0.527 114 E N 1.663 121.893 120.200 0.051 0.000 2.331 114 E HA 0.412 4.761 4.350 -0.001 0.000 0.272 114 E C -2.248 174.374 176.600 0.037 0.000 1.036 114 E CA -1.732 54.696 56.400 0.046 0.000 0.864 114 E CB 1.203 30.932 29.700 0.048 0.000 1.035 114 E HN 0.204 nan 8.360 nan 0.000 0.408 115 P HA 0.063 nan 4.420 nan 0.000 0.275 115 P C -0.221 177.096 177.300 0.027 0.000 1.228 115 P CA 0.119 63.235 63.100 0.026 0.000 0.786 115 P CB 0.659 32.372 31.700 0.021 0.000 0.927 116 L N 1.455 122.695 121.223 0.027 0.000 3.184 116 L HA 0.202 4.541 4.340 -0.001 0.000 0.283 116 L C 0.518 177.402 176.870 0.023 0.000 1.218 116 L CA 0.131 54.988 54.840 0.028 0.000 1.028 116 L CB 0.093 42.172 42.059 0.033 0.000 1.400 116 L HN 0.302 nan 8.230 nan 0.000 0.591 117 D N -1.319 119.093 120.400 0.019 0.000 2.469 117 D HA 0.144 4.784 4.640 -0.001 0.000 0.213 117 D C 1.425 177.731 176.300 0.011 0.000 1.135 117 D CA 0.452 54.461 54.000 0.015 0.000 0.834 117 D CB 0.581 41.388 40.800 0.012 0.000 1.009 117 D HN 0.094 nan 8.370 nan 0.000 0.507 118 G N 1.161 109.968 108.800 0.012 0.000 2.189 118 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.267 118 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.267 118 G C 0.956 175.860 174.900 0.008 0.000 0.975 118 G CA 0.578 45.684 45.100 0.010 0.000 0.644 118 G HN 0.450 nan 8.290 nan 0.000 0.537 119 K N 0.541 120.946 120.400 0.007 0.000 2.487 119 K HA 0.419 4.739 4.320 -0.001 0.000 0.192 119 K C 1.451 178.055 176.600 0.007 0.000 1.027 119 K CA 0.539 56.829 56.287 0.005 0.000 1.054 119 K CB 0.085 32.587 32.500 0.003 0.000 0.824 119 K HN 1.428 nan 8.250 nan 0.000 0.510 120 G N 2.297 111.103 108.800 0.009 0.000 2.566 120 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.599 120 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.599 120 G C -2.847 172.060 174.900 0.012 0.000 1.292 120 G CA -1.209 43.897 45.100 0.010 0.000 0.922 120 G HN -0.046 nan 8.290 nan 0.000 0.514 121 P HA 0.340 nan 4.420 nan 0.000 0.270 121 P C 1.008 178.314 177.300 0.010 0.000 1.223 121 P CA -0.403 62.708 63.100 0.017 0.000 0.785 121 P CB 0.516 32.228 31.700 0.021 0.000 0.923 122 I N 0.143 120.717 120.570 0.008 0.000 2.406 122 I HA -0.127 4.043 4.170 -0.001 0.000 0.249 122 I C 0.634 176.738 176.117 -0.021 0.000 1.122 122 I CA 0.853 62.145 61.300 -0.013 0.000 1.431 122 I CB -1.523 36.460 38.000 -0.028 0.000 1.087 122 I HN 0.470 nan 8.210 nan 0.000 0.424 123 N N 1.311 120.010 118.700 -0.001 0.000 2.725 123 N HA -0.159 4.580 4.740 -0.001 0.000 0.251 123 N C 0.205 175.693 175.510 -0.037 0.000 1.031 123 N CA 0.851 53.903 53.050 0.004 0.000 0.720 123 N CB -1.236 37.253 38.487 0.005 0.000 0.930 123 N HN 0.420 nan 8.380 nan 0.000 0.543 124 A N 0.236 123.000 122.820 -0.094 0.000 2.462 124 A HA 0.222 4.541 4.320 -0.001 0.000 0.243 124 A C 1.365 178.826 177.584 -0.205 0.000 1.076 124 A CA 0.210 52.095 52.037 -0.254 0.000 0.773 124 A CB 0.556 19.237 19.000 -0.532 0.000 1.010 124 A HN 0.160 nan 8.150 nan 0.000 0.493 125 K N 0.912 121.184 120.400 -0.214 0.000 2.352 125 K HA 0.089 4.408 4.320 -0.001 0.000 0.194 125 K C -0.351 176.182 176.600 -0.111 0.000 1.038 125 K CA 0.561 56.796 56.287 -0.086 0.000 1.023 125 K CB -0.035 32.435 32.500 -0.049 0.000 0.840 125 K HN 0.780 nan 8.250 nan 0.000 0.519 126 N N -0.493 117.982 118.700 -0.374 0.000 2.265 126 N HA 0.511 5.250 4.740 -0.001 0.000 0.300 126 N C -1.201 173.879 175.510 -0.716 0.000 1.148 126 N CA -0.544 52.318 53.050 -0.313 0.000 0.772 126 N CB 1.310 39.650 38.487 -0.245 0.000 1.434 126 N HN -0.238 nan 8.380 nan 0.000 0.481 127 F N -0.266 119.649 119.950 -0.058 0.000 2.613 127 F HA 0.614 5.141 4.527 -0.001 0.000 0.310 127 F C -0.032 175.754 175.800 -0.022 0.000 1.085 127 F CA -0.733 57.240 58.000 -0.046 0.000 0.945 127 F CB 2.004 40.985 39.000 -0.030 0.000 1.298 127 F HN 0.063 nan 8.300 nan 0.000 0.455 128 R N 1.263 121.857 120.500 0.155 0.000 2.740 128 R HA 0.485 4.825 4.340 -0.001 0.000 0.273 128 R C -2.994 173.356 176.300 0.084 0.000 0.998 128 R CA -2.068 54.085 56.100 0.088 0.000 0.900 128 R CB 2.664 32.995 30.300 0.052 0.000 1.223 128 R HN 0.232 nan 8.270 nan 0.000 0.466 129 P HA 0.097 nan 4.420 nan 0.000 0.275 129 P C 0.786 178.116 177.300 0.049 0.000 1.228 129 P CA -0.133 62.992 63.100 0.041 0.000 0.786 129 P CB 0.559 32.266 31.700 0.012 0.000 0.927 130 I N -1.522 119.083 120.570 0.058 0.000 2.756 130 I HA 0.078 4.247 4.170 -0.001 0.000 0.262 130 I C 0.411 176.579 176.117 0.084 0.000 1.225 130 I CA 1.208 62.559 61.300 0.084 0.000 1.472 130 I CB -0.167 37.889 38.000 0.093 0.000 1.094 130 I HN 0.147 nan 8.210 nan 0.000 0.454 131 E N 2.470 122.690 120.200 0.033 0.000 2.222 131 E HA 0.637 4.987 4.350 -0.001 0.000 0.267 131 E C -0.828 175.777 176.600 0.009 0.000 0.884 131 E CA -0.678 55.733 56.400 0.019 0.000 0.764 131 E CB 3.038 32.719 29.700 -0.031 0.000 1.169 131 E HN 0.388 nan 8.360 nan 0.000 0.413 132 I N -1.640 118.939 120.570 0.014 0.000 3.074 132 I HA 0.521 4.691 4.170 -0.001 0.000 0.310 132 I C -0.507 175.614 176.117 0.006 0.000 1.153 132 I CA -1.163 60.128 61.300 -0.016 0.000 0.993 132 I CB 2.185 40.145 38.000 -0.067 0.000 1.237 132 I HN 0.109 nan 8.210 nan 0.000 0.443 133 K N 2.633 123.030 120.400 -0.005 0.000 2.276 133 K HA 0.631 4.951 4.320 -0.001 0.000 0.283 133 K C -0.125 176.494 176.600 0.033 0.000 1.044 133 K CA -0.407 55.892 56.287 0.019 0.000 0.944 133 K CB 1.275 33.785 32.500 0.016 0.000 1.012 133 K HN 0.856 nan 8.250 nan 0.000 0.472 134 A N 5.862 128.721 122.820 0.064 0.000 2.520 134 A HA 0.228 4.548 4.320 -0.001 0.000 0.245 134 A C -2.174 175.471 177.584 0.102 0.000 1.072 134 A CA -1.067 51.027 52.037 0.093 0.000 0.761 134 A CB -0.385 18.671 19.000 0.093 0.000 1.004 134 A HN 0.569 nan 8.150 nan 0.000 0.499 135 P HA 0.261 nan 4.420 nan 0.000 0.269 135 P C 0.702 178.139 177.300 0.230 0.000 1.215 135 P CA 0.290 63.492 63.100 0.169 0.000 0.780 135 P CB 0.575 32.389 31.700 0.189 0.000 0.898 136 G N 0.160 109.158 108.800 0.330 0.000 2.588 136 G HA2 0.277 4.236 3.960 -0.001 0.000 0.281 136 G HA3 0.277 4.236 3.960 -0.001 0.000 0.281 136 G C 1.212 176.206 174.900 0.157 0.000 1.236 136 G CA -0.295 44.930 45.100 0.208 0.000 0.969 136 G HN 0.406 nan 8.290 nan 0.000 0.504 137 V N -1.098 118.854 119.914 0.064 0.000 2.568 137 V HA -0.219 3.901 4.120 -0.001 0.000 0.253 137 V C 2.922 178.991 176.094 -0.041 0.000 1.072 137 V CA 2.129 64.443 62.300 0.024 0.000 1.084 137 V CB -1.348 30.483 31.823 0.012 0.000 0.676 137 V HN 0.882 nan 8.190 nan 0.000 0.469 138 I N -3.031 117.446 120.570 -0.155 0.000 2.756 138 I HA -0.006 4.164 4.170 -0.001 0.000 0.262 138 I C 2.236 178.101 176.117 -0.419 0.000 1.225 138 I CA 0.978 62.084 61.300 -0.324 0.000 1.472 138 I CB -2.565 35.170 38.000 -0.442 0.000 1.094 138 I HN 0.484 nan 8.210 nan 0.000 0.454 139 Y N 1.119 121.439 120.300 0.033 0.000 2.457 139 Y HA 0.467 5.017 4.550 -0.001 0.000 0.263 139 Y C 1.467 177.382 175.900 0.025 0.000 1.164 139 Y CA -0.673 57.449 58.100 0.037 0.000 1.274 139 Y CB -0.106 38.391 38.460 0.062 0.000 1.097 139 Y HN 0.248 nan 8.280 nan 0.000 0.523 140 R N 0.994 121.558 120.500 0.106 0.000 2.828 140 R HA 0.559 4.899 4.340 -0.001 0.000 0.264 140 R C -0.398 175.919 176.300 0.029 0.000 1.022 140 R CA -1.040 55.099 56.100 0.065 0.000 1.021 140 R CB 1.754 32.090 30.300 0.059 0.000 1.163 140 R HN -0.003 nan 8.270 nan 0.000 0.494 141 K N 0.112 120.522 120.400 0.018 0.000 2.466 141 K HA 0.570 4.890 4.320 -0.001 0.000 0.260 141 K C -2.916 173.687 176.600 0.005 0.000 1.011 141 K CA -2.070 54.221 56.287 0.008 0.000 0.871 141 K CB 1.794 34.297 32.500 0.005 0.000 1.404 141 K HN 0.167 nan 8.250 nan 0.000 0.450 142 P HA 0.035 nan 4.420 nan 0.000 0.271 142 P C -0.598 176.701 177.300 -0.000 0.000 1.218 142 P CA -0.570 62.532 63.100 0.003 0.000 0.780 142 P CB 0.618 32.319 31.700 0.003 0.000 0.901 143 V N 3.516 123.430 119.914 -0.000 0.000 2.493 143 V HA 0.004 4.123 4.120 -0.001 0.000 0.292 143 V C 0.990 177.081 176.094 -0.004 0.000 1.016 143 V CA 1.200 63.498 62.300 -0.004 0.000 1.097 143 V CB -0.101 31.720 31.823 -0.003 0.000 0.947 143 V HN 0.792 nan 8.190 nan 0.000 0.479 144 D N 1.381 121.776 120.400 -0.007 0.000 2.497 144 D HA 0.083 4.723 4.640 -0.001 0.000 0.256 144 D C 0.218 176.512 176.300 -0.010 0.000 1.273 144 D CA -0.082 53.914 54.000 -0.007 0.000 0.812 144 D CB 0.493 41.290 40.800 -0.006 0.000 1.190 144 D HN 0.465 nan 8.370 nan 0.000 0.524 145 T N 2.279 116.825 114.554 -0.013 0.000 2.861 145 T HA 0.561 4.910 4.350 -0.001 0.000 0.287 145 T C -2.905 171.783 174.700 -0.020 0.000 1.003 145 T CA -1.291 60.798 62.100 -0.018 0.000 0.977 145 T CB 2.820 71.675 68.868 -0.021 0.000 0.996 145 T HN -0.100 nan 8.240 nan 0.000 0.448 146 P HA 0.254 nan 4.420 nan 0.000 0.277 146 P C -0.964 176.317 177.300 -0.031 0.000 1.240 146 P CA -0.739 62.347 63.100 -0.023 0.000 0.798 146 P CB 0.814 32.502 31.700 -0.020 0.000 0.979 147 L N 3.485 124.690 121.223 -0.031 0.000 2.283 147 L HA 0.217 4.557 4.340 -0.001 0.000 0.281 147 L C -0.166 176.682 176.870 -0.036 0.000 1.033 147 L CA -0.343 54.474 54.840 -0.039 0.000 0.848 147 L CB 0.535 42.573 42.059 -0.036 0.000 1.226 147 L HN 0.376 nan 8.230 nan 0.000 0.429 148 Q N 3.072 122.847 119.800 -0.041 0.000 2.307 148 Q HA 0.120 4.460 4.340 -0.001 0.000 0.259 148 Q C 1.313 177.292 176.000 -0.035 0.000 0.998 148 Q CA 0.009 55.791 55.803 -0.035 0.000 0.923 148 Q CB 1.282 29.998 28.738 -0.037 0.000 1.196 148 Q HN 0.728 nan 8.270 nan 0.000 0.416 149 T N -1.227 113.310 114.554 -0.028 0.000 2.985 149 T HA 0.035 4.385 4.350 -0.001 0.000 0.266 149 T C 1.295 175.979 174.700 -0.026 0.000 1.076 149 T CA 0.740 62.824 62.100 -0.027 0.000 1.135 149 T CB 0.022 68.875 68.868 -0.024 0.000 0.890 149 T HN 0.838 nan 8.240 nan 0.000 0.480 150 G N 1.236 110.023 108.800 -0.022 0.000 2.162 150 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.260 150 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.260 150 G C 0.011 174.902 174.900 -0.015 0.000 0.976 150 G CA 0.232 45.322 45.100 -0.017 0.000 0.655 150 G HN 0.668 nan 8.290 nan 0.000 0.533 151 I N 0.490 121.050 120.570 -0.016 0.000 2.330 151 I HA 0.288 4.457 4.170 -0.001 0.000 0.289 151 I C 1.490 177.603 176.117 -0.006 0.000 1.001 151 I CA -0.793 60.497 61.300 -0.016 0.000 1.193 151 I CB 1.441 39.428 38.000 -0.022 0.000 1.345 151 I HN -0.013 nan 8.210 nan 0.000 0.461 152 K N 4.163 124.563 120.400 -0.000 0.000 2.044 152 K HA -0.216 4.104 4.320 -0.001 0.000 0.210 152 K C 2.075 178.680 176.600 0.008 0.000 1.049 152 K CA 1.839 58.130 56.287 0.007 0.000 0.927 152 K CB -0.133 32.374 32.500 0.011 0.000 0.713 152 K HN 0.799 nan 8.250 nan 0.000 0.443 153 A N 1.052 123.876 122.820 0.007 0.000 1.940 153 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 153 A C 2.092 179.684 177.584 0.014 0.000 1.176 153 A CA 1.438 53.482 52.037 0.013 0.000 0.631 153 A CB -0.504 18.506 19.000 0.016 0.000 0.814 153 A HN 0.201 nan 8.150 nan 0.000 0.446 154 I N -0.894 119.680 120.570 0.007 0.000 2.296 154 I HA -0.105 4.065 4.170 -0.001 0.000 0.242 154 I C 1.623 177.743 176.117 0.004 0.000 1.087 154 I CA 1.044 62.347 61.300 0.005 0.000 1.393 154 I CB -0.407 37.591 38.000 -0.004 0.000 1.093 154 I HN 0.132 nan 8.210 nan 0.000 0.421 155 D N 1.043 121.443 120.400 0.001 0.000 2.263 155 D HA -0.073 4.567 4.640 -0.001 0.000 0.208 155 D C 1.294 177.598 176.300 0.007 0.000 0.971 155 D CA 0.736 54.737 54.000 0.001 0.000 0.867 155 D CB -0.081 40.718 40.800 -0.002 0.000 0.929 155 D HN 0.338 nan 8.370 nan 0.000 0.492 159 P HA 0.257 nan 4.420 nan 0.000 0.268 159 P C -0.256 177.042 177.300 -0.004 0.000 1.204 159 P CA 0.532 63.632 63.100 0.001 0.000 0.768 159 P CB 1.154 32.856 31.700 0.003 0.000 0.842 160 I N 2.004 122.568 120.570 -0.010 0.000 2.359 160 I HA 0.451 4.620 4.170 -0.001 0.000 0.294 160 I C 1.137 177.245 176.117 -0.015 0.000 0.987 160 I CA -0.472 60.820 61.300 -0.014 0.000 1.225 160 I CB 1.721 39.709 38.000 -0.020 0.000 1.366 160 I HN 0.322 nan 8.210 nan 0.000 0.466 161 G N 4.735 113.527 108.800 -0.013 0.000 2.400 161 G HA2 0.499 4.459 3.960 -0.001 0.000 0.333 161 G HA3 0.499 4.459 3.960 -0.001 0.000 0.333 161 G C -0.447 174.443 174.900 -0.017 0.000 1.143 161 G CA -0.805 44.287 45.100 -0.014 0.000 0.914 161 G HN 0.546 nan 8.290 nan 0.000 0.480 162 R N 0.293 120.780 120.500 -0.020 0.000 2.458 162 R HA 0.376 4.715 4.340 -0.001 0.000 0.303 162 R C 1.246 177.535 176.300 -0.019 0.000 1.013 162 R CA 1.304 57.391 56.100 -0.022 0.000 1.026 162 R CB 0.599 30.884 30.300 -0.025 0.000 0.948 162 R HN 1.069 nan 8.270 nan 0.000 0.417 163 G N 1.691 110.481 108.800 -0.018 0.000 2.218 163 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.216 163 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.216 163 G C 0.122 175.018 174.900 -0.007 0.000 0.994 163 G CA 0.161 45.252 45.100 -0.015 0.000 0.637 163 G HN 0.662 nan 8.290 nan 0.000 0.505 164 Q N 0.006 119.801 119.800 -0.008 0.000 2.185 164 Q HA 0.768 5.108 4.340 -0.001 0.000 0.225 164 Q C -0.164 175.832 176.000 -0.006 0.000 0.983 164 Q CA -0.825 54.975 55.803 -0.005 0.000 0.950 164 Q CB 0.905 29.640 28.738 -0.006 0.000 1.176 164 Q HN 0.341 nan 8.270 nan 0.000 0.510 165 R N 0.751 121.247 120.500 -0.005 0.000 2.288 165 R HA 0.314 4.654 4.340 -0.001 0.000 0.326 165 R C -1.324 174.964 176.300 -0.021 0.000 0.959 165 R CA -0.545 55.550 56.100 -0.009 0.000 0.834 165 R CB 1.453 31.750 30.300 -0.004 0.000 1.157 165 R HN 0.588 nan 8.270 nan 0.000 0.470 166 E N 3.096 123.277 120.200 -0.031 0.000 2.185 166 E HA 0.201 4.551 4.350 -0.001 0.000 0.261 166 E C -1.488 175.075 176.600 -0.062 0.000 0.879 166 E CA -0.894 55.478 56.400 -0.045 0.000 0.756 166 E CB 1.107 30.782 29.700 -0.042 0.000 1.152 166 E HN 0.315 nan 8.360 nan 0.000 0.416 167 L N 5.422 126.593 121.223 -0.087 0.000 2.349 167 L HA 0.485 4.824 4.340 -0.001 0.000 0.275 167 L C -0.944 175.841 176.870 -0.142 0.000 1.115 167 L CA 0.123 54.895 54.840 -0.114 0.000 0.820 167 L CB 0.541 42.516 42.059 -0.141 0.000 1.135 167 L HN 0.644 nan 8.230 nan 0.000 0.445 168 I N 6.900 127.403 120.570 -0.112 0.000 2.355 168 I HA 0.428 4.597 4.170 -0.001 0.000 0.288 168 I C -0.530 175.526 176.117 -0.103 0.000 0.999 168 I CA -0.304 60.933 61.300 -0.106 0.000 1.163 168 I CB 1.483 39.448 38.000 -0.058 0.000 1.316 168 I HN 0.581 nan 8.210 nan 0.000 0.454 169 I N 5.278 125.768 120.570 -0.134 0.000 2.686 169 I HA 0.902 5.072 4.170 -0.001 0.000 0.295 169 I C -0.344 175.767 176.117 -0.011 0.000 1.114 169 I CA 0.029 61.278 61.300 -0.086 0.000 1.038 169 I CB 2.109 40.027 38.000 -0.136 0.000 1.238 169 I HN 0.696 nan 8.210 nan 0.000 0.420 170 G N 4.688 113.501 108.800 0.022 0.000 2.321 170 G HA2 0.156 4.116 3.960 -0.001 0.000 0.298 170 G HA3 0.156 4.116 3.960 -0.001 0.000 0.298 170 G C -1.952 172.960 174.900 0.021 0.000 1.385 170 G CA -0.832 44.295 45.100 0.046 0.000 0.856 170 G HN 0.515 nan 8.290 nan 0.000 0.584 171 D N 0.203 120.612 120.400 0.014 0.000 2.369 171 D HA 0.386 5.025 4.640 -0.001 0.000 0.241 171 D C 1.334 177.613 176.300 -0.034 0.000 1.271 171 D CA -0.049 53.948 54.000 -0.005 0.000 0.942 171 D CB 0.418 41.212 40.800 -0.010 0.000 1.129 171 D HN 0.696 nan 8.370 nan 0.000 0.476 172 R N 0.460 120.939 120.500 -0.035 0.000 2.679 172 R HA 0.024 4.364 4.340 -0.001 0.000 0.268 172 R C -0.163 176.068 176.300 -0.116 0.000 1.044 172 R CA -0.221 55.847 56.100 -0.053 0.000 1.105 172 R CB 0.165 30.446 30.300 -0.032 0.000 0.989 172 R HN 0.188 nan 8.270 nan 0.000 0.447 173 Q N -0.165 119.549 119.800 -0.143 0.000 2.475 173 Q HA -0.158 4.181 4.340 -0.001 0.000 0.280 173 Q C 0.322 176.008 176.000 -0.524 0.000 1.234 173 Q CA 1.762 57.408 55.803 -0.262 0.000 0.873 173 Q CB -1.966 26.645 28.738 -0.212 0.000 1.256 173 Q HN 1.017 nan 8.270 nan 0.000 0.475 174 T N -5.191 109.150 114.554 -0.355 0.000 3.069 174 T HA 0.435 4.785 4.350 -0.001 0.000 0.252 174 T C 1.207 175.815 174.700 -0.154 0.000 1.053 174 T CA 0.885 62.772 62.100 -0.356 0.000 0.964 174 T CB 0.978 69.781 68.868 -0.110 0.000 1.005 174 T HN 0.853 nan 8.240 nan 0.000 0.532 175 G N 1.565 110.298 108.800 -0.113 0.000 2.138 175 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.193 175 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.193 175 G C 0.716 175.618 174.900 0.002 0.000 0.998 175 G CA 0.186 45.297 45.100 0.018 0.000 0.668 175 G HN 0.483 nan 8.290 nan 0.000 0.516 176 K N -0.238 120.154 120.400 -0.013 0.000 1.985 176 K HA -0.067 4.252 4.320 -0.001 0.000 0.210 176 K C 2.605 179.207 176.600 0.004 0.000 1.047 176 K CA 1.928 58.212 56.287 -0.005 0.000 0.932 176 K CB -0.392 32.105 32.500 -0.006 0.000 0.716 176 K HN 0.302 nan 8.250 nan 0.000 0.439 177 T N 1.358 115.922 114.554 0.016 0.000 2.720 177 T HA -0.205 4.145 4.350 -0.001 0.000 0.268 177 T C 1.992 176.679 174.700 -0.022 0.000 1.037 177 T CA 1.478 63.599 62.100 0.035 0.000 1.144 177 T CB -0.390 68.514 68.868 0.060 0.000 0.864 177 T HN 0.369 nan 8.240 nan 0.000 0.444 178 A N 1.770 124.560 122.820 -0.051 0.000 1.903 178 A HA -0.144 4.175 4.320 -0.001 0.000 0.219 178 A C 2.214 179.731 177.584 -0.113 0.000 1.191 178 A CA 1.503 53.466 52.037 -0.123 0.000 0.638 178 A CB -0.767 18.156 19.000 -0.129 0.000 0.823 178 A HN 0.398 nan 8.150 nan 0.000 0.451 179 I N -0.090 120.442 120.570 -0.063 0.000 2.142 179 I HA -0.254 3.916 4.170 -0.001 0.000 0.240 179 I C 3.001 179.091 176.117 -0.046 0.000 1.078 179 I CA 1.430 62.700 61.300 -0.051 0.000 1.343 179 I CB -1.799 36.184 38.000 -0.028 0.000 1.046 179 I HN 0.375 nan 8.210 nan 0.000 0.405 180 A N 1.064 123.868 122.820 -0.027 0.000 1.883 180 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 180 A C 2.251 179.811 177.584 -0.039 0.000 1.186 180 A CA 1.595 53.628 52.037 -0.007 0.000 0.624 180 A CB -0.661 18.373 19.000 0.058 0.000 0.822 180 A HN 0.309 nan 8.150 nan 0.000 0.444 181 I N 0.194 120.712 120.570 -0.087 0.000 2.353 181 I HA -0.137 4.033 4.170 -0.001 0.000 0.248 181 I C 1.655 177.727 176.117 -0.074 0.000 1.119 181 I CA 1.337 62.561 61.300 -0.128 0.000 1.417 181 I CB -1.490 36.418 38.000 -0.153 0.000 1.078 181 I HN 0.261 nan 8.210 nan 0.000 0.421 182 D N 0.615 120.961 120.400 -0.089 0.000 2.144 182 D HA -0.132 4.507 4.640 -0.001 0.000 0.199 182 D C 2.163 178.438 176.300 -0.041 0.000 0.984 182 D CA 1.402 55.354 54.000 -0.080 0.000 0.834 182 D CB -0.198 40.530 40.800 -0.119 0.000 0.955 182 D HN 0.233 nan 8.370 nan 0.000 0.465 183 T N 1.017 115.550 114.554 -0.036 0.000 2.684 183 T HA -0.110 4.239 4.350 -0.001 0.000 0.267 183 T C 2.190 176.893 174.700 0.005 0.000 1.036 183 T CA 0.667 62.755 62.100 -0.020 0.000 1.148 183 T CB -0.199 68.655 68.868 -0.022 0.000 0.863 183 T HN 0.185 nan 8.240 nan 0.000 0.436 184 I N 0.429 121.010 120.570 0.019 0.000 2.226 184 I HA -0.131 4.039 4.170 -0.001 0.000 0.245 184 I C 2.282 178.494 176.117 0.158 0.000 1.100 184 I CA 1.335 62.684 61.300 0.083 0.000 1.374 184 I CB -0.415 37.606 38.000 0.036 0.000 1.057 184 I HN 0.218 nan 8.210 nan 0.000 0.413 185 I N 0.897 121.518 120.570 0.085 0.000 2.264 185 I HA -0.317 3.852 4.170 -0.001 0.000 0.248 185 I C 2.056 178.249 176.117 0.125 0.000 1.111 185 I CA 1.430 62.800 61.300 0.117 0.000 1.382 185 I CB -0.453 37.572 38.000 0.041 0.000 1.060 185 I HN 0.282 nan 8.210 nan 0.000 0.418 186 N N 0.347 119.077 118.700 0.051 0.000 2.550 186 N HA -0.144 4.595 4.740 -0.001 0.000 0.186 186 N C 1.525 177.004 175.510 -0.050 0.000 1.110 186 N CA 0.680 53.733 53.050 0.005 0.000 0.912 186 N CB 0.118 38.594 38.487 -0.019 0.000 0.968 186 N HN 0.229 nan 8.380 nan 0.000 0.448 187 Q N -0.064 119.690 119.800 -0.076 0.000 2.444 187 Q HA 0.010 4.349 4.340 -0.001 0.000 0.206 187 Q C 0.059 175.704 176.000 -0.591 0.000 0.948 187 Q CA 0.181 55.801 55.803 -0.304 0.000 0.946 187 Q CB -0.153 28.394 28.738 -0.318 0.000 1.027 187 Q HN 0.195 nan 8.270 nan 0.000 0.513 188 K N 0.679 120.846 120.400 -0.390 0.000 2.466 188 K HA 0.116 4.436 4.320 -0.001 0.000 0.278 188 K C 0.931 177.385 176.600 -0.244 0.000 1.048 188 K CA 1.186 57.291 56.287 -0.303 0.000 1.088 188 K CB -0.272 32.247 32.500 0.031 0.000 0.884 188 K HN 0.308 nan 8.250 nan 0.000 0.478 189 G N 3.388 112.023 108.800 -0.275 0.000 2.184 189 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.264 189 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.264 189 G C 0.648 175.429 174.900 -0.198 0.000 0.975 189 G CA 0.420 45.406 45.100 -0.190 0.000 0.642 189 G HN 0.633 nan 8.290 nan 0.000 0.536 190 Q N -0.129 119.515 119.800 -0.260 0.000 2.425 190 Q HA 0.296 4.636 4.340 -0.001 0.000 0.204 190 Q C 1.835 177.702 176.000 -0.221 0.000 0.933 190 Q CA 1.078 56.755 55.803 -0.211 0.000 0.939 190 Q CB 0.253 28.870 28.738 -0.201 0.000 1.044 190 Q HN 1.672 nan 8.270 nan 0.000 0.513 191 G N 0.870 109.492 108.800 -0.297 0.000 2.256 191 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.272 191 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.272 191 G C -0.243 174.474 174.900 -0.307 0.000 1.076 191 G CA 0.263 45.189 45.100 -0.289 0.000 0.882 191 G HN 0.174 nan 8.290 nan 0.000 0.497 192 V N 0.471 120.133 119.914 -0.419 0.000 2.483 192 V HA 0.503 4.622 4.120 -0.001 0.000 0.297 192 V C -0.189 175.681 176.094 -0.374 0.000 1.027 192 V CA -1.312 60.813 62.300 -0.291 0.000 0.855 192 V CB 1.300 33.008 31.823 -0.191 0.000 0.995 192 V HN 0.289 nan 8.190 nan 0.000 0.424 193 Y N 2.745 122.891 120.300 -0.258 0.000 2.335 193 Y HA 0.442 4.991 4.550 -0.001 0.000 0.331 193 Y C 0.618 176.448 175.900 -0.118 0.000 1.094 193 Y CA -0.128 57.779 58.100 -0.321 0.000 1.253 193 Y CB 1.036 38.892 38.460 -1.008 0.000 1.203 193 Y HN 0.546 nan 8.280 nan 0.000 0.508 194 C N 5.118 124.505 119.300 0.146 0.000 2.411 194 C HA 0.618 5.078 4.460 -0.001 0.000 0.330 194 C C -0.503 174.557 174.990 0.117 0.000 1.224 194 C CA -0.969 58.126 59.018 0.128 0.000 1.770 194 C CB 0.420 28.264 27.740 0.172 0.000 2.297 194 C HN 0.524 nan 8.230 nan 0.000 0.507 195 I N 3.205 123.827 120.570 0.087 0.000 2.439 195 I HA 0.221 4.390 4.170 -0.001 0.000 0.283 195 I C -0.833 175.318 176.117 0.057 0.000 1.023 195 I CA -0.409 60.937 61.300 0.076 0.000 1.100 195 I CB 0.856 38.893 38.000 0.061 0.000 1.238 195 I HN 0.682 nan 8.210 nan 0.000 0.445 196 Y N 7.070 127.350 120.300 -0.034 0.000 2.353 196 Y HA 0.498 5.047 4.550 -0.001 0.000 0.340 196 Y C -0.538 175.344 175.900 -0.030 0.000 0.972 196 Y CA -0.731 57.340 58.100 -0.048 0.000 1.157 196 Y CB 1.305 39.749 38.460 -0.027 0.000 1.157 196 Y HN 0.279 nan 8.280 nan 0.000 0.495 197 V N 6.767 126.342 119.914 -0.565 0.000 2.318 197 V HA 0.560 4.679 4.120 -0.001 0.000 0.271 197 V C 0.188 175.922 176.094 -0.600 0.000 1.030 197 V CA -0.703 61.343 62.300 -0.423 0.000 0.844 197 V CB 0.466 32.196 31.823 -0.156 0.000 1.015 197 V HN 0.943 nan 8.190 nan 0.000 0.460 198 A N 7.027 129.578 122.820 -0.449 0.000 2.302 198 A HA 0.754 5.073 4.320 -0.001 0.000 0.295 198 A C -0.302 177.224 177.584 -0.095 0.000 1.235 198 A CA -0.205 51.679 52.037 -0.255 0.000 0.876 198 A CB -0.163 18.815 19.000 -0.038 0.000 1.133 198 A HN 0.814 nan 8.150 nan 0.000 0.533 199 I N 2.744 123.279 120.570 -0.058 0.000 2.390 199 I HA 0.483 4.653 4.170 -0.001 0.000 0.283 199 I C 1.173 177.316 176.117 0.042 0.000 1.016 199 I CA 0.233 61.540 61.300 0.012 0.000 1.151 199 I CB 1.367 39.385 38.000 0.031 0.000 1.293 199 I HN 0.945 nan 8.210 nan 0.000 0.458 200 G N 3.863 112.694 108.800 0.052 0.000 2.179 200 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.260 200 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.260 200 G C 0.218 175.148 174.900 0.049 0.000 0.977 200 G CA -0.272 44.861 45.100 0.055 0.000 0.641 200 G HN 0.588 nan 8.290 nan 0.000 0.533 201 Q N 0.327 120.156 119.800 0.048 0.000 2.368 201 Q HA 0.468 4.808 4.340 -0.001 0.000 0.237 201 Q C 0.383 176.414 176.000 0.052 0.000 0.987 201 Q CA -0.234 55.601 55.803 0.053 0.000 0.896 201 Q CB 0.898 29.677 28.738 0.068 0.000 1.241 201 Q HN 0.360 nan 8.270 nan 0.000 0.485 202 K N 1.374 121.803 120.400 0.049 0.000 2.436 202 K HA -0.045 4.275 4.320 -0.001 0.000 0.275 202 K C 0.833 177.463 176.600 0.050 0.000 0.999 202 K CA 0.122 56.437 56.287 0.046 0.000 0.980 202 K CB 0.514 33.039 32.500 0.041 0.000 0.919 202 K HN 0.447 nan 8.250 nan 0.000 0.484 203 K N 0.973 121.400 120.400 0.046 0.000 2.089 203 K HA -0.240 4.080 4.320 -0.001 0.000 0.210 203 K C 2.223 178.851 176.600 0.047 0.000 1.048 203 K CA 2.288 58.603 56.287 0.046 0.000 0.926 203 K CB -0.107 32.417 32.500 0.039 0.000 0.714 203 K HN 0.711 nan 8.250 nan 0.000 0.448 204 S N 0.632 116.357 115.700 0.042 0.000 2.368 204 S HA -0.155 4.315 4.470 -0.001 0.000 0.225 204 S C 2.255 176.883 174.600 0.047 0.000 1.030 204 S CA 1.086 59.310 58.200 0.040 0.000 0.999 204 S CB -0.385 62.837 63.200 0.036 0.000 0.844 204 S HN 0.326 nan 8.310 nan 0.000 0.459 205 A N 1.931 124.782 122.820 0.053 0.000 1.898 205 A HA 0.125 4.445 4.320 -0.001 0.000 0.216 205 A C 2.253 179.882 177.584 0.075 0.000 1.181 205 A CA 1.392 53.466 52.037 0.062 0.000 0.620 205 A CB -0.822 18.215 19.000 0.063 0.000 0.819 205 A HN 0.596 nan 8.150 nan 0.000 0.442 206 I N -0.216 120.403 120.570 0.083 0.000 2.252 206 I HA -0.260 3.909 4.170 -0.001 0.000 0.245 206 I C 2.979 179.144 176.117 0.081 0.000 1.102 206 I CA 0.964 62.328 61.300 0.107 0.000 1.385 206 I CB -0.440 37.625 38.000 0.108 0.000 1.064 206 I HN 0.346 nan 8.210 nan 0.000 0.414 207 A N 1.184 124.040 122.820 0.060 0.000 1.892 207 A HA -0.241 4.078 4.320 -0.001 0.000 0.218 207 A C 2.412 180.017 177.584 0.034 0.000 1.188 207 A CA 1.768 53.830 52.037 0.042 0.000 0.631 207 A CB -0.649 18.372 19.000 0.034 0.000 0.822 207 A HN 0.345 nan 8.150 nan 0.000 0.447 208 R N -0.788 119.736 120.500 0.040 0.000 2.115 208 R HA -0.009 4.330 4.340 -0.001 0.000 0.230 208 R C 1.967 178.288 176.300 0.036 0.000 1.111 208 R CA 1.453 57.575 56.100 0.037 0.000 0.976 208 R CB -0.452 29.878 30.300 0.050 0.000 0.870 208 R HN 0.594 nan 8.270 nan 0.000 0.445 209 I N 0.523 121.115 120.570 0.037 0.000 2.252 209 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 209 I C 2.169 178.267 176.117 -0.033 0.000 1.102 209 I CA 1.268 62.567 61.300 -0.002 0.000 1.385 209 I CB -0.158 37.822 38.000 -0.032 0.000 1.064 209 I HN 0.098 nan 8.210 nan 0.000 0.414 210 I N 0.544 121.112 120.570 -0.002 0.000 2.226 210 I HA -0.291 3.879 4.170 -0.001 0.000 0.245 210 I C 2.071 178.176 176.117 -0.019 0.000 1.100 210 I CA 1.288 62.584 61.300 -0.007 0.000 1.374 210 I CB -0.503 37.510 38.000 0.021 0.000 1.057 210 I HN 0.228 nan 8.210 nan 0.000 0.413 211 D N 1.108 121.501 120.400 -0.012 0.000 2.123 211 D HA -0.167 4.473 4.640 -0.001 0.000 0.196 211 D C 2.182 178.461 176.300 -0.036 0.000 0.992 211 D CA 1.137 55.121 54.000 -0.027 0.000 0.833 211 D CB -0.217 40.569 40.800 -0.023 0.000 0.954 211 D HN 0.221 nan 8.370 nan 0.000 0.455 212 K N 0.540 120.931 120.400 -0.015 0.000 2.057 212 K HA -0.062 4.258 4.320 -0.001 0.000 0.207 212 K C 2.460 179.108 176.600 0.080 0.000 1.049 212 K CA 0.316 56.616 56.287 0.022 0.000 0.931 212 K CB -0.631 31.868 32.500 -0.001 0.000 0.714 212 K HN 0.255 nan 8.250 nan 0.000 0.440 213 L N 0.544 121.770 121.223 0.005 0.000 2.079 213 L HA -0.198 4.141 4.340 -0.001 0.000 0.210 213 L C 2.690 179.533 176.870 -0.046 0.000 1.081 213 L CA 1.322 56.145 54.840 -0.029 0.000 0.752 213 L CB -0.316 41.688 42.059 -0.093 0.000 0.896 213 L HN 0.177 nan 8.230 nan 0.000 0.433 214 R N -0.478 119.989 120.500 -0.055 0.000 2.066 214 R HA -0.154 4.186 4.340 -0.001 0.000 0.232 214 R C 2.326 178.567 176.300 -0.099 0.000 1.131 214 R CA 1.365 57.419 56.100 -0.076 0.000 0.955 214 R CB -0.272 29.986 30.300 -0.068 0.000 0.851 214 R HN 0.429 nan 8.270 nan 0.000 0.432 215 Q N -0.799 118.922 119.800 -0.132 0.000 2.170 215 Q HA -0.148 4.191 4.340 -0.001 0.000 0.203 215 Q C 0.720 176.481 176.000 -0.398 0.000 0.976 215 Q CA 1.308 56.943 55.803 -0.280 0.000 0.858 215 Q CB 0.132 28.643 28.738 -0.378 0.000 0.907 215 Q HN 0.422 nan 8.270 nan 0.000 0.433 216 Y N -0.999 119.236 120.300 -0.108 0.000 2.493 216 Y HA 0.254 4.803 4.550 -0.001 0.000 0.275 216 Y C 1.263 177.133 175.900 -0.051 0.000 1.183 216 Y CA 0.276 58.331 58.100 -0.074 0.000 1.258 216 Y CB 0.761 39.184 38.460 -0.062 0.000 1.108 216 Y HN 0.157 nan 8.280 nan 0.000 0.521 217 G N 0.065 108.863 108.800 -0.003 0.000 2.153 217 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.252 217 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.252 217 G C 0.545 175.388 174.900 -0.095 0.000 0.994 217 G CA 0.120 45.204 45.100 -0.027 0.000 0.698 217 G HN 0.633 nan 8.290 nan 0.000 0.521 221 Y N -0.078 120.197 120.300 -0.040 0.000 2.682 221 Y HA 0.607 5.157 4.550 -0.001 0.000 0.251 221 Y C -0.274 175.610 175.900 -0.026 0.000 1.172 221 Y CA -0.429 57.626 58.100 -0.074 0.000 1.186 221 Y CB 0.575 38.900 38.460 -0.225 0.000 1.216 221 Y HN -0.256 nan 8.280 nan 0.000 0.540 222 T N 0.913 115.383 114.554 -0.140 0.000 2.876 222 T HA 0.521 4.871 4.350 -0.001 0.000 0.289 222 T C -0.543 174.160 174.700 0.005 0.000 1.014 222 T CA -0.556 61.504 62.100 -0.067 0.000 0.986 222 T CB 2.031 70.785 68.868 -0.190 0.000 1.021 222 T HN 0.124 nan 8.240 nan 0.000 0.458 223 T N 2.304 116.898 114.554 0.067 0.000 2.807 223 T HA 0.551 4.900 4.350 -0.001 0.000 0.279 223 T C -0.346 174.407 174.700 0.088 0.000 0.993 223 T CA -0.528 61.617 62.100 0.075 0.000 0.970 223 T CB 1.183 70.112 68.868 0.101 0.000 0.950 223 T HN 0.340 nan 8.240 nan 0.000 0.441 224 V N 4.028 123.992 119.914 0.084 0.000 2.398 224 V HA 0.419 4.539 4.120 -0.001 0.000 0.286 224 V C -0.104 176.035 176.094 0.074 0.000 1.026 224 V CA -0.734 61.639 62.300 0.122 0.000 0.868 224 V CB 1.605 33.516 31.823 0.148 0.000 0.982 224 V HN 0.703 nan 8.190 nan 0.000 0.443 225 V N 6.026 125.965 119.914 0.042 0.000 2.370 225 V HA 0.454 4.573 4.120 -0.001 0.000 0.283 225 V C -0.119 175.976 176.094 0.001 0.000 1.023 225 V CA -0.498 61.813 62.300 0.018 0.000 0.857 225 V CB 1.662 33.486 31.823 0.003 0.000 0.985 225 V HN 0.607 nan 8.190 nan 0.000 0.443 226 V N 4.003 123.932 119.914 0.025 0.000 2.448 226 V HA 0.828 4.948 4.120 -0.001 0.000 0.295 226 V C 0.239 176.352 176.094 0.032 0.000 1.025 226 V CA -0.451 61.865 62.300 0.028 0.000 0.859 226 V CB 1.719 33.571 31.823 0.048 0.000 0.988 226 V HN 0.966 nan 8.190 nan 0.000 0.431 227 A N 3.544 126.382 122.820 0.030 0.000 2.466 227 A HA 0.728 5.047 4.320 -0.001 0.000 0.291 227 A C 0.157 177.768 177.584 0.046 0.000 1.234 227 A CA -0.332 51.732 52.037 0.046 0.000 0.752 227 A CB 1.023 20.058 19.000 0.059 0.000 1.153 227 A HN 0.949 nan 8.150 nan 0.000 0.458 228 S N 1.492 117.220 115.700 0.047 0.000 2.661 228 S HA 0.586 5.056 4.470 -0.001 0.000 0.265 228 S C 1.496 176.124 174.600 0.046 0.000 1.225 228 S CA 0.069 58.297 58.200 0.047 0.000 0.986 228 S CB 1.065 64.293 63.200 0.046 0.000 1.008 228 S HN 1.698 nan 8.310 nan 0.000 0.565 229 A N 1.012 123.858 122.820 0.044 0.000 2.032 229 A HA -0.064 4.256 4.320 -0.001 0.000 0.221 229 A C 2.253 179.859 177.584 0.037 0.000 1.165 229 A CA 1.989 54.050 52.037 0.041 0.000 0.645 229 A CB -1.449 17.574 19.000 0.038 0.000 0.807 229 A HN 1.317 nan 8.150 nan 0.000 0.453 230 S N -0.809 114.914 115.700 0.038 0.000 2.575 230 S HA 0.093 4.563 4.470 -0.001 0.000 0.215 230 S C -0.015 174.608 174.600 0.038 0.000 0.966 230 S CA -0.262 57.959 58.200 0.035 0.000 0.911 230 S CB -0.116 63.104 63.200 0.034 0.000 0.780 230 S HN 0.418 nan 8.310 nan 0.000 0.514 231 D N 3.678 124.103 120.400 0.042 0.000 2.283 231 D HA 0.389 5.029 4.640 -0.001 0.000 0.248 231 D C -2.465 173.860 176.300 0.042 0.000 1.072 231 D CA -1.574 52.453 54.000 0.046 0.000 0.929 231 D CB 0.789 41.620 40.800 0.051 0.000 1.182 231 D HN 0.163 nan 8.370 nan 0.000 0.433 232 P HA 0.045 nan 4.420 nan 0.000 0.269 232 P C 0.137 177.453 177.300 0.026 0.000 1.215 232 P CA -0.225 62.889 63.100 0.024 0.000 0.780 232 P CB 0.636 32.349 31.700 0.021 0.000 0.898 233 A N 2.588 125.407 122.820 -0.001 0.000 1.986 233 A HA -0.223 4.097 4.320 -0.001 0.000 0.220 233 A C 2.237 179.837 177.584 0.027 0.000 1.171 233 A CA 2.429 54.465 52.037 -0.002 0.000 0.640 233 A CB -1.706 17.257 19.000 -0.062 0.000 0.811 233 A HN 0.678 nan 8.150 nan 0.000 0.451 234 S N 0.096 115.794 115.700 -0.004 0.000 2.368 234 S HA -0.122 4.348 4.470 -0.001 0.000 0.225 234 S C 1.879 176.577 174.600 0.163 0.000 1.030 234 S CA 1.486 59.714 58.200 0.046 0.000 0.999 234 S CB -0.749 62.453 63.200 0.003 0.000 0.844 234 S HN 0.470 nan 8.310 nan 0.000 0.459 235 L N 1.192 122.484 121.223 0.115 0.000 2.056 235 L HA -0.116 4.224 4.340 -0.001 0.000 0.207 235 L C 3.121 180.070 176.870 0.133 0.000 1.078 235 L CA 1.460 56.370 54.840 0.117 0.000 0.749 235 L CB -0.663 41.448 42.059 0.086 0.000 0.901 235 L HN 0.434 nan 8.230 nan 0.000 0.433 236 Q N -0.981 118.901 119.800 0.137 0.000 2.124 236 Q HA -0.271 4.069 4.340 -0.001 0.000 0.202 236 Q C 2.068 178.237 176.000 0.282 0.000 0.977 236 Q CA 1.995 57.898 55.803 0.166 0.000 0.850 236 Q CB -0.309 28.510 28.738 0.135 0.000 0.901 236 Q HN 0.529 nan 8.270 nan 0.000 0.429 237 Y N 0.802 121.202 120.300 0.167 0.000 2.263 237 Y HA -0.117 4.432 4.550 -0.001 0.000 0.292 237 Y C 1.729 177.901 175.900 0.454 0.000 1.130 237 Y CA 1.144 59.391 58.100 0.246 0.000 1.179 237 Y CB -0.078 38.436 38.460 0.090 0.000 0.998 237 Y HN -0.023 nan 8.280 nan 0.000 0.532 238 I N 0.373 120.967 120.570 0.040 0.000 2.500 238 I HA -0.170 4.000 4.170 -0.001 0.000 0.252 238 I C 2.706 178.857 176.117 0.057 0.000 1.142 238 I CA 0.766 62.064 61.300 -0.003 0.000 1.451 238 I CB -0.789 37.266 38.000 0.090 0.000 1.093 238 I HN 0.349 nan 8.210 nan 0.000 0.430 239 A N 2.457 125.307 122.820 0.050 0.000 1.894 239 A HA -0.226 4.094 4.320 -0.001 0.000 0.220 239 A C 0.125 177.661 177.584 -0.080 0.000 1.237 239 A CA 2.603 54.642 52.037 0.003 0.000 0.660 239 A CB -2.290 16.718 19.000 0.013 0.000 0.835 239 A HN 0.305 nan 8.150 nan 0.000 0.461 240 P HA -0.120 nan 4.420 nan 0.000 0.221 240 P C 0.924 177.991 177.300 -0.388 0.000 1.150 240 P CA 1.255 64.113 63.100 -0.403 0.000 0.800 240 P CB -0.258 30.821 31.700 -1.035 0.000 0.787 241 Y N 0.846 121.044 120.300 -0.169 0.000 2.263 241 Y HA 0.009 4.559 4.550 -0.001 0.000 0.292 241 Y C 2.896 178.785 175.900 -0.019 0.000 1.130 241 Y CA 1.175 59.212 58.100 -0.105 0.000 1.179 241 Y CB -1.568 36.805 38.460 -0.144 0.000 0.998 241 Y HN -0.051 nan 8.280 nan 0.000 0.532 242 A N 0.266 123.151 122.820 0.108 0.000 1.877 242 A HA -0.088 4.231 4.320 -0.001 0.000 0.216 242 A C 2.598 180.229 177.584 0.079 0.000 1.186 242 A CA 1.764 53.854 52.037 0.089 0.000 0.620 242 A CB -1.507 17.537 19.000 0.072 0.000 0.822 242 A HN 0.456 nan 8.150 nan 0.000 0.443 243 G N -1.022 107.820 108.800 0.070 0.000 2.440 243 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.218 243 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.218 243 G C 1.789 176.756 174.900 0.112 0.000 1.154 243 G CA 1.314 46.461 45.100 0.079 0.000 0.767 243 G HN 0.601 nan 8.290 nan 0.000 0.552 244 C N 1.118 120.515 119.300 0.162 0.000 2.413 244 C HA 0.377 4.837 4.460 -0.001 0.000 0.276 244 C C 2.530 177.609 174.990 0.149 0.000 1.236 244 C CA 0.451 59.575 59.018 0.176 0.000 1.735 244 C CB -1.329 26.519 27.740 0.180 0.000 2.031 244 C HN 0.625 nan 8.230 nan 0.000 0.474 248 E N -0.060 120.276 120.200 0.227 0.000 2.153 248 E HA -0.123 4.226 4.350 -0.001 0.000 0.194 248 E C 1.808 178.558 176.600 0.250 0.000 0.988 248 E CA 1.150 57.733 56.400 0.305 0.000 0.811 248 E CB -0.187 29.713 29.700 0.334 0.000 0.746 248 E HN 0.546 nan 8.360 nan 0.000 0.466 249 Y N 0.445 120.725 120.300 -0.033 0.000 2.151 249 Y HA -0.311 4.239 4.550 -0.001 0.000 0.284 249 Y C 1.593 177.295 175.900 -0.329 0.000 1.166 249 Y CA 1.738 59.685 58.100 -0.255 0.000 1.163 249 Y CB -0.240 37.911 38.460 -0.515 0.000 0.974 249 Y HN -0.039 nan 8.280 nan 0.000 0.511 250 F N -0.404 119.491 119.950 -0.092 0.000 2.219 250 F HA 0.063 4.590 4.527 -0.001 0.000 0.294 250 F C 2.630 178.332 175.800 -0.164 0.000 1.086 250 F CA 0.930 58.794 58.000 -0.227 0.000 1.330 250 F CB -1.318 37.584 39.000 -0.163 0.000 1.047 250 F HN 0.095 nan 8.300 nan 0.000 0.495 251 A N -0.484 122.380 122.820 0.072 0.000 1.892 251 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 251 A C 1.766 179.190 177.584 -0.266 0.000 1.188 251 A CA 1.687 53.657 52.037 -0.110 0.000 0.631 251 A CB -1.518 17.366 19.000 -0.193 0.000 0.822 251 A HN 0.482 nan 8.150 nan 0.000 0.447 252 Y N 0.599 120.847 120.300 -0.087 0.000 2.529 252 Y HA 0.058 4.607 4.550 -0.001 0.000 0.290 252 Y C 1.687 177.493 175.900 -0.156 0.000 1.177 252 Y CA 0.805 58.840 58.100 -0.109 0.000 1.305 252 Y CB 0.120 38.516 38.460 -0.107 0.000 1.047 252 Y HN 0.378 nan 8.280 nan 0.000 0.522 253 S N -1.539 114.084 115.700 -0.129 0.000 2.661 253 S HA 0.478 4.948 4.470 -0.001 0.000 0.245 253 S C 1.120 175.670 174.600 -0.084 0.000 1.117 253 S CA -0.129 57.974 58.200 -0.161 0.000 1.091 253 S CB 0.075 63.057 63.200 -0.364 0.000 0.887 253 S HN 0.483 nan 8.310 nan 0.000 0.491 254 G N 1.316 110.085 108.800 -0.052 0.000 2.176 254 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.252 254 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.252 254 G C -0.027 174.883 174.900 0.017 0.000 1.024 254 G CA -0.012 45.077 45.100 -0.018 0.000 0.755 254 G HN 0.669 nan 8.290 nan 0.000 0.507 255 R N -0.821 119.700 120.500 0.035 0.000 2.888 255 R HA 0.590 4.929 4.340 -0.001 0.000 0.264 255 R C -1.502 174.863 176.300 0.107 0.000 1.045 255 R CA -1.065 55.105 56.100 0.117 0.000 0.962 255 R CB 1.181 31.612 30.300 0.218 0.000 1.210 255 R HN 0.091 nan 8.270 nan 0.000 0.479 256 D N 0.394 120.876 120.400 0.136 0.000 2.278 256 D HA 0.551 5.190 4.640 -0.001 0.000 0.245 256 D C -1.043 175.330 176.300 0.122 0.000 1.052 256 D CA -0.199 53.848 54.000 0.078 0.000 0.834 256 D CB 2.099 42.907 40.800 0.014 0.000 1.194 256 D HN 0.566 nan 8.370 nan 0.000 0.481 257 A N 1.699 124.578 122.820 0.099 0.000 2.413 257 A HA 0.724 5.044 4.320 -0.001 0.000 0.307 257 A C -1.470 176.142 177.584 0.047 0.000 1.087 257 A CA -0.695 51.410 52.037 0.113 0.000 0.750 257 A CB 1.494 20.622 19.000 0.212 0.000 1.296 257 A HN 0.428 nan 8.150 nan 0.000 0.423 258 L N 1.878 123.120 121.223 0.031 0.000 2.381 258 L HA 0.778 5.117 4.340 -0.001 0.000 0.274 258 L C -1.332 175.514 176.870 -0.039 0.000 0.988 258 L CA -0.568 54.264 54.840 -0.014 0.000 0.824 258 L CB 1.871 43.919 42.059 -0.017 0.000 1.263 258 L HN 0.704 nan 8.230 nan 0.000 0.410 259 V N 6.278 126.110 119.914 -0.136 0.000 2.487 259 V HA 0.673 4.793 4.120 -0.001 0.000 0.298 259 V C -1.092 174.710 176.094 -0.487 0.000 1.028 259 V CA -0.396 61.727 62.300 -0.294 0.000 0.860 259 V CB 2.131 33.719 31.823 -0.393 0.000 0.991 259 V HN 0.590 nan 8.190 nan 0.000 0.427 260 V N 7.910 127.581 119.914 -0.405 0.000 2.398 260 V HA 0.463 4.583 4.120 -0.001 0.000 0.286 260 V C -1.074 174.732 176.094 -0.480 0.000 1.026 260 V CA -0.522 61.582 62.300 -0.327 0.000 0.868 260 V CB 1.426 33.263 31.823 0.022 0.000 0.982 260 V HN 0.825 nan 8.190 nan 0.000 0.443 261 Y N 2.418 122.619 120.300 -0.165 0.000 2.491 261 Y HA 0.489 5.039 4.550 -0.001 0.000 0.334 261 Y C 0.152 175.930 175.900 -0.204 0.000 0.969 261 Y CA -1.247 56.709 58.100 -0.241 0.000 1.241 261 Y CB 0.831 39.115 38.460 -0.294 0.000 1.105 261 Y HN 0.548 nan 8.280 nan 0.000 0.503 262 D N 3.501 123.825 120.400 -0.126 0.000 2.462 262 D HA 0.221 4.861 4.640 -0.001 0.000 0.249 262 D C -1.203 175.062 176.300 -0.058 0.000 1.117 262 D CA -0.374 53.579 54.000 -0.079 0.000 0.900 262 D CB 0.248 41.014 40.800 -0.058 0.000 1.039 262 D HN 0.680 nan 8.370 nan 0.000 0.516 263 D N 0.395 120.787 120.400 -0.012 0.000 2.559 263 D HA 0.231 4.871 4.640 -0.001 0.000 0.250 263 D C 0.797 177.094 176.300 -0.006 0.000 1.135 263 D CA -0.741 53.253 54.000 -0.009 0.000 0.955 263 D CB 0.951 41.756 40.800 0.008 0.000 1.442 263 D HN 0.091 nan 8.370 nan 0.000 0.471 264 L N 0.138 121.327 121.223 -0.058 0.000 2.395 264 L HA -0.005 4.335 4.340 -0.001 0.000 0.218 264 L C 1.764 178.694 176.870 0.099 0.000 1.130 264 L CA 0.488 55.270 54.840 -0.096 0.000 0.826 264 L CB -0.332 41.473 42.059 -0.423 0.000 0.941 264 L HN 0.411 nan 8.230 nan 0.000 0.451 265 S N 0.256 116.002 115.700 0.076 0.000 2.345 265 S HA -0.157 4.313 4.470 -0.001 0.000 0.220 265 S C 1.921 176.598 174.600 0.128 0.000 1.031 265 S CA 1.231 59.496 58.200 0.108 0.000 0.996 265 S CB -0.045 63.197 63.200 0.070 0.000 0.882 265 S HN 0.373 nan 8.310 nan 0.000 0.445 266 K N 0.396 120.862 120.400 0.110 0.000 2.097 266 K HA -0.117 4.203 4.320 -0.001 0.000 0.206 266 K C 2.167 178.863 176.600 0.159 0.000 1.049 266 K CA 1.119 57.473 56.287 0.112 0.000 0.933 266 K CB -0.297 32.254 32.500 0.086 0.000 0.717 266 K HN 0.481 nan 8.250 nan 0.000 0.442 267 H N 0.554 119.681 119.070 0.095 0.000 2.353 267 H HA -0.083 4.472 4.556 -0.001 0.000 0.300 267 H C 1.878 177.347 175.328 0.235 0.000 1.090 267 H CA 1.549 57.685 56.048 0.147 0.000 1.327 267 H CB 0.209 30.035 29.762 0.106 0.000 1.383 267 H HN 0.216 nan 8.280 nan 0.000 0.508 268 A N 0.534 123.486 122.820 0.221 0.000 1.902 268 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 268 A C 2.805 180.472 177.584 0.138 0.000 1.181 268 A CA 1.507 53.648 52.037 0.174 0.000 0.623 268 A CB -0.875 18.262 19.000 0.229 0.000 0.818 268 A HN 0.308 nan 8.150 nan 0.000 0.443 269 V N -0.178 119.805 119.914 0.115 0.000 2.343 269 V HA -0.250 3.870 4.120 -0.001 0.000 0.247 269 V C 3.037 179.157 176.094 0.043 0.000 1.051 269 V CA 1.941 64.287 62.300 0.078 0.000 1.036 269 V CB -1.170 30.695 31.823 0.071 0.000 0.654 269 V HN 0.621 nan 8.190 nan 0.000 0.451 270 A N -0.959 121.888 122.820 0.044 0.000 1.898 270 A HA -0.255 4.065 4.320 -0.001 0.000 0.216 270 A C 2.170 179.745 177.584 -0.016 0.000 1.181 270 A CA 1.940 53.988 52.037 0.018 0.000 0.620 270 A CB -0.764 18.271 19.000 0.058 0.000 0.819 270 A HN 0.619 nan 8.150 nan 0.000 0.442 271 Y N 0.442 120.656 120.300 -0.143 0.000 2.224 271 Y HA -0.189 4.361 4.550 -0.001 0.000 0.289 271 Y C 2.471 178.296 175.900 -0.125 0.000 1.146 271 Y CA 2.039 60.032 58.100 -0.178 0.000 1.182 271 Y CB -0.365 38.017 38.460 -0.131 0.000 0.983 271 Y HN 0.329 nan 8.280 nan 0.000 0.524 272 R N -0.013 120.432 120.500 -0.092 0.000 2.066 272 R HA -0.184 4.155 4.340 -0.001 0.000 0.232 272 R C 2.297 178.496 176.300 -0.169 0.000 1.131 272 R CA 1.972 57.989 56.100 -0.138 0.000 0.955 272 R CB -0.259 30.042 30.300 0.002 0.000 0.851 272 R HN 0.453 nan 8.270 nan 0.000 0.432 273 Q N 0.267 119.995 119.800 -0.120 0.000 2.135 273 Q HA -0.183 4.156 4.340 -0.001 0.000 0.204 273 Q C 2.248 178.142 176.000 -0.177 0.000 0.981 273 Q CA 1.613 57.347 55.803 -0.114 0.000 0.856 273 Q CB -0.124 28.570 28.738 -0.073 0.000 0.902 273 Q HN 0.398 nan 8.270 nan 0.000 0.425 274 L N 0.121 121.173 121.223 -0.285 0.000 2.042 274 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 274 L C 2.381 179.083 176.870 -0.281 0.000 1.076 274 L CA 1.192 55.785 54.840 -0.411 0.000 0.749 274 L CB -0.317 41.258 42.059 -0.807 0.000 0.893 274 L HN 0.209 nan 8.230 nan 0.000 0.432 275 S N -0.086 115.439 115.700 -0.292 0.000 2.368 275 S HA -0.128 4.341 4.470 -0.001 0.000 0.225 275 S C 1.795 176.351 174.600 -0.072 0.000 1.030 275 S CA 1.069 59.188 58.200 -0.136 0.000 0.999 275 S CB -0.259 62.794 63.200 -0.245 0.000 0.844 275 S HN 0.334 nan 8.310 nan 0.000 0.459 276 L N 1.052 122.219 121.223 -0.093 0.000 2.551 276 L HA 0.119 4.458 4.340 -0.001 0.000 0.228 276 L C 0.746 177.587 176.870 -0.047 0.000 1.153 276 L CA 0.063 54.869 54.840 -0.057 0.000 0.851 276 L CB -0.522 41.505 42.059 -0.054 0.000 0.959 276 L HN 0.217 nan 8.230 nan 0.000 0.451 280 R N 1.406 121.897 120.500 -0.014 0.000 2.643 280 R HA 0.192 4.532 4.340 -0.001 0.000 0.270 280 R C -2.166 174.123 176.300 -0.017 0.000 1.061 280 R CA -1.466 54.625 56.100 -0.014 0.000 1.107 280 R CB -0.066 30.232 30.300 -0.004 0.000 0.999 280 R HN 0.323 nan 8.270 nan 0.000 0.460 281 P HA 0.108 nan 4.420 nan 0.000 0.268 281 P C -2.317 174.975 177.300 -0.014 0.000 1.205 281 P CA -1.024 62.063 63.100 -0.021 0.000 0.771 281 P CB -0.096 31.587 31.700 -0.027 0.000 0.858 282 P HA 0.024 nan 4.420 nan 0.000 0.265 282 P C 0.937 178.234 177.300 -0.006 0.000 1.187 282 P CA 1.159 64.253 63.100 -0.010 0.000 0.766 282 P CB 0.092 31.784 31.700 -0.013 0.000 0.820 283 G N 2.367 111.166 108.800 -0.003 0.000 2.160 283 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.251 283 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.251 283 G C -0.034 174.870 174.900 0.007 0.000 1.008 283 G CA 0.231 45.332 45.100 0.001 0.000 0.724 283 G HN 0.815 nan 8.290 nan 0.000 0.514 284 R N -1.206 119.299 120.500 0.009 0.000 3.101 284 R HA 0.391 4.730 4.340 -0.001 0.000 0.242 284 R C 0.308 176.624 176.300 0.026 0.000 1.831 284 R CA -0.367 55.745 56.100 0.021 0.000 1.321 284 R CB 0.141 30.454 30.300 0.022 0.000 1.512 284 R HN 0.262 nan 8.270 nan 0.000 0.568 285 E N 1.046 121.261 120.200 0.025 0.000 2.481 285 E HA 0.088 4.437 4.350 -0.001 0.000 0.195 285 E C 0.092 176.715 176.600 0.038 0.000 1.047 285 E CA 0.444 56.858 56.400 0.024 0.000 0.867 285 E CB 0.725 30.432 29.700 0.013 0.000 0.858 285 E HN 0.533 nan 8.360 nan 0.000 0.513 286 A N 1.437 124.292 122.820 0.058 0.000 2.545 286 A HA 0.326 4.646 4.320 -0.001 0.000 0.300 286 A C -1.594 176.067 177.584 0.128 0.000 1.252 286 A CA -0.571 51.506 52.037 0.067 0.000 0.753 286 A CB 0.221 19.239 19.000 0.030 0.000 1.144 286 A HN 0.158 nan 8.150 nan 0.000 0.457 287 Y N 3.294 123.595 120.300 0.001 0.000 2.320 287 Y HA 0.561 5.111 4.550 -0.001 0.000 0.334 287 Y C -1.865 174.052 175.900 0.028 0.000 1.055 287 Y CA -2.225 55.881 58.100 0.009 0.000 1.143 287 Y CB 0.707 39.170 38.460 0.004 0.000 1.193 287 Y HN 0.592 nan 8.280 nan 0.000 0.477 288 P HA 0.084 nan 4.420 nan 0.000 0.264 288 P C -0.477 176.769 177.300 -0.089 0.000 1.173 288 P CA 0.242 63.186 63.100 -0.259 0.000 0.761 288 P CB 0.508 31.994 31.700 -0.357 0.000 0.794 289 G N 1.836 110.655 108.800 0.031 0.000 2.391 289 G HA2 0.263 4.222 3.960 -0.001 0.000 0.305 289 G HA3 0.263 4.222 3.960 -0.001 0.000 0.305 289 G C 0.151 175.208 174.900 0.262 0.000 1.072 289 G CA -0.500 44.693 45.100 0.156 0.000 1.016 289 G HN 0.585 nan 8.290 nan 0.000 0.418 290 D N 2.673 123.266 120.400 0.321 0.000 2.525 290 D HA -0.042 4.598 4.640 -0.001 0.000 0.229 290 D C 1.559 178.020 176.300 0.270 0.000 1.202 290 D CA -0.727 53.516 54.000 0.406 0.000 0.828 290 D CB 0.402 41.401 40.800 0.331 0.000 1.008 290 D HN 0.290 nan 8.370 nan 0.000 0.493 291 I N 0.234 120.924 120.570 0.201 0.000 2.315 291 I HA -0.156 4.013 4.170 -0.001 0.000 0.251 291 I C 1.680 177.694 176.117 -0.171 0.000 1.125 291 I CA 0.851 62.103 61.300 -0.081 0.000 1.392 291 I CB -0.460 37.555 38.000 0.026 0.000 1.065 291 I HN 0.070 nan 8.210 nan 0.000 0.424 292 F N 0.233 120.101 119.950 -0.136 0.000 2.134 292 F HA -0.292 4.235 4.527 -0.001 0.000 0.299 292 F C 2.006 177.621 175.800 -0.309 0.000 1.097 292 F CA 1.817 59.642 58.000 -0.292 0.000 1.264 292 F CB -0.639 38.121 39.000 -0.399 0.000 1.001 292 F HN 0.141 nan 8.300 nan 0.000 0.479 293 Y N 0.067 120.396 120.300 0.049 0.000 2.314 293 Y HA -0.114 4.435 4.550 -0.001 0.000 0.293 293 Y C 2.407 178.248 175.900 -0.099 0.000 1.129 293 Y CA 1.080 59.157 58.100 -0.039 0.000 1.201 293 Y CB -0.736 37.789 38.460 0.107 0.000 0.999 293 Y HN 0.067 nan 8.280 nan 0.000 0.541 294 L N -0.774 120.455 121.223 0.009 0.000 2.012 294 L HA -0.302 4.038 4.340 -0.001 0.000 0.210 294 L C 2.193 179.122 176.870 0.098 0.000 1.073 294 L CA 1.924 56.776 54.840 0.021 0.000 0.748 294 L CB -0.649 41.326 42.059 -0.140 0.000 0.891 294 L HN 0.431 nan 8.230 nan 0.000 0.431 295 H N -2.217 116.787 119.070 -0.111 0.000 2.428 295 H HA -0.122 4.434 4.556 -0.001 0.000 0.296 295 H C 2.559 177.719 175.328 -0.280 0.000 1.062 295 H CA 0.875 56.792 56.048 -0.219 0.000 1.350 295 H CB 0.283 29.903 29.762 -0.236 0.000 1.403 295 H HN 0.229 nan 8.280 nan 0.000 0.533 296 S N 0.556 116.084 115.700 -0.287 0.000 2.356 296 S HA -0.150 4.320 4.470 -0.001 0.000 0.223 296 S C 2.137 176.675 174.600 -0.102 0.000 1.032 296 S CA 1.045 59.046 58.200 -0.331 0.000 1.005 296 S CB 0.018 62.865 63.200 -0.588 0.000 0.867 296 S HN 0.342 nan 8.310 nan 0.000 0.449 297 R N 0.095 120.588 120.500 -0.012 0.000 2.081 297 R HA -0.082 4.257 4.340 -0.001 0.000 0.235 297 R C 2.350 178.695 176.300 0.076 0.000 1.131 297 R CA 1.547 57.686 56.100 0.065 0.000 0.960 297 R CB -0.699 29.669 30.300 0.113 0.000 0.856 297 R HN 0.389 nan 8.270 nan 0.000 0.436 298 L N 1.118 122.380 121.223 0.066 0.000 1.994 298 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 298 L C 2.003 178.834 176.870 -0.066 0.000 1.071 298 L CA 1.726 56.532 54.840 -0.058 0.000 0.745 298 L CB -0.329 41.505 42.059 -0.374 0.000 0.892 298 L HN 0.125 nan 8.230 nan 0.000 0.431 299 L N -1.002 120.174 121.223 -0.079 0.000 2.240 299 L HA -0.104 4.235 4.340 -0.001 0.000 0.211 299 L C 2.346 179.222 176.870 0.011 0.000 1.106 299 L CA 0.768 55.590 54.840 -0.029 0.000 0.793 299 L CB -0.504 41.514 42.059 -0.067 0.000 0.927 299 L HN 0.335 nan 8.230 nan 0.000 0.446 300 E N 0.185 120.392 120.200 0.011 0.000 2.333 300 E HA -0.184 4.165 4.350 -0.001 0.000 0.198 300 E C 2.015 178.655 176.600 0.066 0.000 1.007 300 E CA 0.531 56.953 56.400 0.037 0.000 0.845 300 E CB 0.057 29.783 29.700 0.043 0.000 0.766 300 E HN 0.411 nan 8.360 nan 0.000 0.507 301 R N 0.571 121.117 120.500 0.078 0.000 2.276 301 R HA 0.094 4.434 4.340 -0.001 0.000 0.203 301 R C 0.676 177.041 176.300 0.108 0.000 1.017 301 R CA 0.129 56.297 56.100 0.114 0.000 1.010 301 R CB 0.120 30.497 30.300 0.128 0.000 0.900 301 R HN -0.032 nan 8.270 nan 0.000 0.469 302 A N 1.293 124.161 122.820 0.080 0.000 2.540 302 A HA 0.281 4.600 4.320 -0.001 0.000 0.239 302 A C -0.188 177.419 177.584 0.038 0.000 1.061 302 A CA 0.226 52.295 52.037 0.053 0.000 0.758 302 A CB 0.639 19.662 19.000 0.039 0.000 0.991 302 A HN 0.083 nan 8.150 nan 0.000 0.502 303 V N 3.717 123.636 119.914 0.008 0.000 3.077 303 V HA 0.629 4.748 4.120 -0.001 0.000 0.299 303 V C -1.085 174.985 176.094 -0.041 0.000 1.276 303 V CA -0.894 61.401 62.300 -0.009 0.000 0.993 303 V CB 2.163 33.975 31.823 -0.018 0.000 1.076 303 V HN 0.990 nan 8.190 nan 0.000 0.434 304 R N 5.345 125.829 120.500 -0.025 0.000 2.320 304 R HA 0.536 4.876 4.340 -0.001 0.000 0.319 304 R C -1.298 174.986 176.300 -0.026 0.000 0.969 304 R CA -0.432 55.648 56.100 -0.032 0.000 0.857 304 R CB 0.954 31.245 30.300 -0.015 0.000 1.160 304 R HN 0.779 nan 8.270 nan 0.000 0.491 305 L N 3.116 124.305 121.223 -0.057 0.000 2.439 305 L HA 0.246 4.585 4.340 -0.001 0.000 0.261 305 L C 0.961 177.832 176.870 0.002 0.000 1.153 305 L CA -0.734 54.088 54.840 -0.030 0.000 0.808 305 L CB 0.651 42.651 42.059 -0.097 0.000 1.126 305 L HN 0.654 nan 8.230 nan 0.000 0.460 306 N N -0.606 118.118 118.700 0.041 0.000 2.327 306 N HA -0.000 4.739 4.740 -0.001 0.000 0.257 306 N C 0.191 175.719 175.510 0.029 0.000 1.281 306 N CA -0.361 52.710 53.050 0.036 0.000 0.942 306 N CB 0.318 38.834 38.487 0.048 0.000 1.199 306 N HN 0.430 nan 8.380 nan 0.000 0.532 307 D N -1.115 119.300 120.400 0.024 0.000 2.117 307 D HA -0.160 4.480 4.640 -0.001 0.000 0.197 307 D C 1.490 177.808 176.300 0.030 0.000 0.987 307 D CA 1.254 55.266 54.000 0.020 0.000 0.829 307 D CB -0.308 40.501 40.800 0.014 0.000 0.961 307 D HN 0.521 nan 8.370 nan 0.000 0.460 308 K N 0.319 120.746 120.400 0.046 0.000 2.152 308 K HA -0.019 4.301 4.320 -0.001 0.000 0.206 308 K C 2.023 178.663 176.600 0.067 0.000 1.048 308 K CA 0.389 56.711 56.287 0.058 0.000 0.933 308 K CB -0.656 31.889 32.500 0.076 0.000 0.721 308 K HN 0.266 nan 8.250 nan 0.000 0.447 309 L N -0.891 120.380 121.223 0.080 0.000 2.612 309 L HA 0.271 4.610 4.340 -0.001 0.000 0.230 309 L C 1.613 178.503 176.870 0.034 0.000 1.140 309 L CA 0.628 55.514 54.840 0.077 0.000 0.896 309 L CB 0.177 42.303 42.059 0.111 0.000 1.065 309 L HN 0.659 nan 8.230 nan 0.000 0.447 310 G N -0.967 107.844 108.800 0.019 0.000 2.238 310 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.217 310 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.217 310 G C 0.945 175.838 174.900 -0.012 0.000 0.996 310 G CA -0.260 44.840 45.100 -0.001 0.000 0.632 310 G HN 0.526 nan 8.290 nan 0.000 0.503 311 G N -0.552 108.237 108.800 -0.017 0.000 2.179 311 G HA2 0.171 4.131 3.960 -0.001 0.000 0.260 311 G HA3 0.171 4.131 3.960 -0.001 0.000 0.260 311 G C 1.540 176.418 174.900 -0.038 0.000 0.977 311 G CA 1.132 46.220 45.100 -0.021 0.000 0.641 311 G HN 2.100 nan 8.290 nan 0.000 0.533 312 G N -0.404 108.357 108.800 -0.065 0.000 2.588 312 G HA2 0.733 4.693 3.960 -0.001 0.000 0.278 312 G HA3 0.733 4.693 3.960 -0.001 0.000 0.278 312 G C 0.310 175.150 174.900 -0.101 0.000 1.307 312 G CA 0.972 46.029 45.100 -0.071 0.000 1.016 312 G HN 1.825 nan 8.290 nan 0.000 0.503 313 S N -1.943 113.709 115.700 -0.080 0.000 2.596 313 S HA 0.611 5.080 4.470 -0.001 0.000 0.270 313 S C -1.574 172.998 174.600 -0.048 0.000 1.155 313 S CA -0.804 57.350 58.200 -0.077 0.000 0.827 313 S CB 1.941 65.116 63.200 -0.042 0.000 1.130 313 S HN 1.099 nan 8.310 nan 0.000 0.467 314 L N 1.473 122.672 121.223 -0.040 0.000 2.404 314 L HA 0.688 5.027 4.340 -0.001 0.000 0.272 314 L C -0.771 176.098 176.870 -0.003 0.000 0.980 314 L CA 0.200 55.041 54.840 0.001 0.000 0.836 314 L CB 1.760 43.834 42.059 0.025 0.000 1.238 314 L HN 0.929 nan 8.230 nan 0.000 0.408 315 T N 4.105 118.653 114.554 -0.010 0.000 2.837 315 T HA 0.811 5.160 4.350 -0.001 0.000 0.285 315 T C -0.204 174.470 174.700 -0.043 0.000 0.984 315 T CA -0.181 61.906 62.100 -0.023 0.000 1.049 315 T CB 1.369 70.220 68.868 -0.028 0.000 0.947 315 T HN 0.787 nan 8.240 nan 0.000 0.472 316 A N 3.330 126.128 122.820 -0.037 0.000 2.318 316 A HA 0.725 5.045 4.320 -0.001 0.000 0.324 316 A C -0.453 177.088 177.584 -0.072 0.000 1.170 316 A CA -0.673 51.325 52.037 -0.064 0.000 0.810 316 A CB 0.513 19.550 19.000 0.061 0.000 1.198 316 A HN 0.870 nan 8.150 nan 0.000 0.484 317 L N 5.045 126.185 121.223 -0.138 0.000 2.435 317 L HA 0.316 4.656 4.340 -0.001 0.000 0.253 317 L C -2.257 174.571 176.870 -0.069 0.000 1.087 317 L CA -1.806 52.980 54.840 -0.089 0.000 0.950 317 L CB 1.693 43.704 42.059 -0.080 0.000 1.304 317 L HN 0.527 nan 8.230 nan 0.000 0.453 318 P HA 0.223 nan 4.420 nan 0.000 0.275 318 P C -0.549 176.734 177.300 -0.029 0.000 1.228 318 P CA -0.068 63.056 63.100 0.040 0.000 0.786 318 P CB 1.711 33.409 31.700 -0.003 0.000 0.927 319 I N 1.837 122.389 120.570 -0.029 0.000 2.474 319 I HA 0.368 4.537 4.170 -0.001 0.000 0.294 319 I C -0.163 175.929 176.117 -0.041 0.000 1.005 319 I CA -1.092 60.188 61.300 -0.032 0.000 1.113 319 I CB 2.182 40.178 38.000 -0.007 0.000 1.289 319 I HN 0.006 nan 8.210 nan 0.000 0.436 320 V N 5.152 125.043 119.914 -0.039 0.000 2.656 320 V HA 0.311 4.430 4.120 -0.001 0.000 0.307 320 V C -0.228 175.865 176.094 -0.002 0.000 1.051 320 V CA -0.714 61.573 62.300 -0.021 0.000 0.893 320 V CB 2.023 33.830 31.823 -0.027 0.000 0.999 320 V HN 0.730 nan 8.190 nan 0.000 0.426 321 E N 2.759 122.968 120.200 0.015 0.000 2.174 321 E HA 0.506 4.856 4.350 -0.001 0.000 0.282 321 E C -0.238 176.382 176.600 0.033 0.000 0.992 321 E CA -0.419 55.993 56.400 0.021 0.000 0.803 321 E CB 1.334 31.049 29.700 0.023 0.000 1.090 321 E HN 0.867 nan 8.360 nan 0.000 0.396 322 T N 1.638 116.212 114.554 0.034 0.000 2.912 322 T HA 0.400 4.749 4.350 -0.001 0.000 0.280 322 T C -0.119 174.602 174.700 0.035 0.000 0.989 322 T CA -0.915 61.212 62.100 0.045 0.000 0.995 322 T CB 1.483 70.385 68.868 0.058 0.000 1.077 322 T HN 0.391 nan 8.240 nan 0.000 0.531 323 Q N 0.031 119.854 119.800 0.038 0.000 2.331 323 Q HA 0.583 4.922 4.340 -0.001 0.000 0.267 323 Q C 0.152 176.169 176.000 0.028 0.000 1.006 323 Q CA 0.240 56.061 55.803 0.030 0.000 0.818 323 Q CB 1.476 30.233 28.738 0.032 0.000 1.276 323 Q HN 1.204 nan 8.270 nan 0.000 0.450 324 A N 3.668 126.499 122.820 0.019 0.000 2.783 324 A HA -0.286 4.034 4.320 -0.001 0.000 0.292 324 A C 0.536 178.134 177.584 0.023 0.000 1.495 324 A CA 0.958 53.005 52.037 0.017 0.000 0.787 324 A CB -2.194 16.815 19.000 0.015 0.000 1.017 324 A HN 0.984 nan 8.150 nan 0.000 0.516 325 N N -1.442 117.276 118.700 0.031 0.000 2.708 325 N HA -0.203 4.537 4.740 -0.001 0.000 0.249 325 N C -0.489 175.048 175.510 0.045 0.000 1.097 325 N CA 1.615 54.691 53.050 0.043 0.000 0.710 325 N CB -0.899 37.610 38.487 0.035 0.000 1.032 325 N HN 0.864 nan 8.380 nan 0.000 0.551 326 D N 0.668 121.096 120.400 0.046 0.000 2.470 326 D HA 0.102 4.742 4.640 -0.001 0.000 0.226 326 D C 1.648 177.987 176.300 0.065 0.000 1.196 326 D CA -0.296 53.733 54.000 0.048 0.000 0.979 326 D CB -0.387 40.440 40.800 0.045 0.000 1.059 326 D HN 0.543 nan 8.370 nan 0.000 0.515 327 I N 0.493 121.107 120.570 0.072 0.000 3.646 327 I HA 0.042 4.212 4.170 -0.001 0.000 0.301 327 I C 1.125 177.292 176.117 0.084 0.000 1.276 327 I CA 0.080 61.440 61.300 0.100 0.000 1.254 327 I CB -0.075 38.017 38.000 0.153 0.000 1.020 327 I HN 0.158 nan 8.210 nan 0.000 0.473 328 S N 0.660 116.400 115.700 0.067 0.000 2.535 328 S HA 0.427 4.897 4.470 -0.001 0.000 0.214 328 S C 1.214 175.863 174.600 0.082 0.000 0.980 328 S CA 0.018 58.257 58.200 0.065 0.000 0.907 328 S CB -0.087 63.143 63.200 0.048 0.000 0.790 328 S HN 0.507 nan 8.310 nan 0.000 0.510 329 A N 1.121 123.994 122.820 0.088 0.000 2.387 329 A HA 0.401 4.721 4.320 -0.001 0.000 0.251 329 A C 0.850 178.528 177.584 0.156 0.000 1.113 329 A CA 0.050 52.157 52.037 0.117 0.000 0.794 329 A CB -0.450 18.613 19.000 0.105 0.000 1.069 329 A HN 0.462 nan 8.150 nan 0.000 0.506 330 Y N 0.407 120.740 120.300 0.056 0.000 2.089 330 Y HA -0.184 4.365 4.550 -0.001 0.000 0.282 330 Y C 1.921 177.877 175.900 0.093 0.000 1.139 330 Y CA 2.154 60.292 58.100 0.064 0.000 1.123 330 Y CB -0.197 38.298 38.460 0.058 0.000 0.980 330 Y HN 0.456 nan 8.280 nan 0.000 0.493 331 I N 0.756 121.298 120.570 -0.047 0.000 2.179 331 I HA -0.195 3.975 4.170 -0.001 0.000 0.242 331 I C -0.398 175.695 176.117 -0.040 0.000 1.088 331 I CA 1.406 62.650 61.300 -0.093 0.000 1.357 331 I CB -2.797 35.235 38.000 0.055 0.000 1.051 331 I HN 0.190 nan 8.210 nan 0.000 0.409 332 P HA -0.132 nan 4.420 nan 0.000 0.215 332 P C 1.855 179.172 177.300 0.027 0.000 1.157 332 P CA 1.942 65.059 63.100 0.030 0.000 0.874 332 P CB -0.182 31.556 31.700 0.063 0.000 0.790 333 T N -0.693 113.879 114.554 0.029 0.000 2.684 333 T HA -0.148 4.201 4.350 -0.001 0.000 0.267 333 T C 1.597 176.312 174.700 0.024 0.000 1.036 333 T CA 1.556 63.678 62.100 0.036 0.000 1.148 333 T CB -0.990 67.910 68.868 0.053 0.000 0.863 333 T HN 0.106 nan 8.240 nan 0.000 0.436 334 N N 1.024 119.700 118.700 -0.039 0.000 2.013 334 N HA -0.089 4.651 4.740 -0.001 0.000 0.195 334 N C 1.991 177.536 175.510 0.059 0.000 1.051 334 N CA 1.092 54.177 53.050 0.059 0.000 0.851 334 N CB -0.968 37.491 38.487 -0.047 0.000 1.044 334 N HN 0.223 nan 8.380 nan 0.000 0.422 335 V N 1.497 121.408 119.914 -0.005 0.000 2.548 335 V HA -0.090 4.030 4.120 -0.001 0.000 0.249 335 V C 2.265 178.348 176.094 -0.019 0.000 1.055 335 V CA 0.870 63.148 62.300 -0.036 0.000 1.065 335 V CB -0.459 31.322 31.823 -0.071 0.000 0.681 335 V HN 0.233 nan 8.190 nan 0.000 0.462 336 I N 1.427 122.001 120.570 0.007 0.000 2.208 336 I HA -0.274 3.895 4.170 -0.001 0.000 0.245 336 I C 2.678 178.818 176.117 0.039 0.000 1.097 336 I CA 2.047 63.361 61.300 0.023 0.000 1.363 336 I CB -0.413 37.629 38.000 0.070 0.000 1.051 336 I HN 0.515 nan 8.210 nan 0.000 0.413 337 S N 1.257 116.995 115.700 0.064 0.000 2.453 337 S HA -0.076 4.394 4.470 -0.001 0.000 0.231 337 S C 1.654 176.300 174.600 0.076 0.000 1.005 337 S CA 0.674 58.926 58.200 0.087 0.000 0.949 337 S CB -0.573 62.709 63.200 0.136 0.000 0.774 337 S HN 0.650 nan 8.310 nan 0.000 0.510 338 I N 0.728 121.319 120.570 0.036 0.000 3.914 338 I HA 0.353 4.523 4.170 -0.001 0.000 0.333 338 I C -0.133 175.971 176.117 -0.023 0.000 1.449 338 I CA -0.536 60.757 61.300 -0.012 0.000 1.135 338 I CB -0.174 37.756 38.000 -0.117 0.000 1.073 338 I HN 0.199 nan 8.210 nan 0.000 0.401 339 T N -3.654 110.894 114.554 -0.010 0.000 2.908 339 T HA 0.380 4.729 4.350 -0.001 0.000 0.290 339 T C 0.294 174.993 174.700 -0.002 0.000 1.034 339 T CA -0.626 61.464 62.100 -0.016 0.000 1.010 339 T CB 2.355 71.202 68.868 -0.036 0.000 1.068 339 T HN 0.049 nan 8.240 nan 0.000 0.481 340 D N 1.026 121.424 120.400 -0.002 0.000 2.317 340 D HA 0.195 4.834 4.640 -0.001 0.000 0.211 340 D C 0.996 177.298 176.300 0.004 0.000 0.966 340 D CA 0.773 54.776 54.000 0.005 0.000 0.876 340 D CB 0.214 41.016 40.800 0.004 0.000 0.927 340 D HN 0.853 nan 8.370 nan 0.000 0.519 341 G N -0.135 108.659 108.800 -0.011 0.000 2.677 341 G HA2 0.483 4.443 3.960 -0.001 0.000 0.291 341 G HA3 0.483 4.443 3.960 -0.001 0.000 0.291 341 G C -1.760 173.106 174.900 -0.057 0.000 1.435 341 G CA -0.617 44.475 45.100 -0.014 0.000 0.826 341 G HN -0.149 nan 8.290 nan 0.000 0.491 342 Q N -0.308 119.445 119.800 -0.080 0.000 2.305 342 Q HA 0.584 4.924 4.340 -0.001 0.000 0.271 342 Q C -0.792 175.052 176.000 -0.262 0.000 1.046 342 Q CA -0.325 55.329 55.803 -0.249 0.000 0.798 342 Q CB 2.874 31.382 28.738 -0.383 0.000 1.286 342 Q HN 0.531 nan 8.270 nan 0.000 0.435 343 I N 3.031 123.425 120.570 -0.293 0.000 2.328 343 I HA 0.332 4.501 4.170 -0.001 0.000 0.287 343 I C -1.020 174.948 176.117 -0.248 0.000 1.012 343 I CA -0.735 60.466 61.300 -0.164 0.000 1.195 343 I CB 0.600 38.551 38.000 -0.081 0.000 1.350 343 I HN 0.551 nan 8.210 nan 0.000 0.464 344 Y N 6.651 126.961 120.300 0.016 0.000 2.341 344 Y HA 0.506 5.056 4.550 -0.001 0.000 0.340 344 Y C 0.043 175.958 175.900 0.026 0.000 0.997 344 Y CA -0.485 57.627 58.100 0.019 0.000 1.149 344 Y CB 0.980 39.451 38.460 0.020 0.000 1.171 344 Y HN 0.321 nan 8.280 nan 0.000 0.494 345 L N 3.821 125.134 121.223 0.149 0.000 2.344 345 L HA 0.608 4.947 4.340 -0.001 0.000 0.272 345 L C -0.464 176.476 176.870 0.117 0.000 1.035 345 L CA -0.796 54.113 54.840 0.115 0.000 0.807 345 L CB 1.820 43.920 42.059 0.069 0.000 1.237 345 L HN 0.592 nan 8.230 nan 0.000 0.442 346 E N 1.909 122.179 120.200 0.117 0.000 2.331 346 E HA 0.258 4.607 4.350 -0.001 0.000 0.275 346 E C -2.030 174.646 176.600 0.126 0.000 0.895 346 E CA -1.595 54.866 56.400 0.103 0.000 0.753 346 E CB 2.735 32.492 29.700 0.094 0.000 1.216 346 E HN 0.295 nan 8.360 nan 0.000 0.434 347 P HA -0.072 nan 4.420 nan 0.000 0.222 347 P C 1.169 178.591 177.300 0.204 0.000 1.153 347 P CA 0.770 63.946 63.100 0.126 0.000 0.798 347 P CB 0.280 32.007 31.700 0.045 0.000 0.796 348 G N 0.887 109.773 108.800 0.144 0.000 2.421 348 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.216 348 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.216 348 G C 1.633 176.650 174.900 0.195 0.000 1.171 348 G CA 0.491 45.683 45.100 0.152 0.000 0.775 348 G HN 0.208 nan 8.290 nan 0.000 0.543 349 L N -0.850 120.472 121.223 0.164 0.000 2.046 349 L HA -0.021 4.318 4.340 -0.001 0.000 0.208 349 L C 2.575 179.542 176.870 0.161 0.000 1.077 349 L CA 1.124 56.048 54.840 0.139 0.000 0.747 349 L CB -0.476 41.654 42.059 0.119 0.000 0.896 349 L HN 0.231 nan 8.230 nan 0.000 0.432 350 F N -0.212 119.787 119.950 0.082 0.000 2.095 350 F HA -0.333 4.194 4.527 -0.001 0.000 0.298 350 F C 2.604 178.456 175.800 0.088 0.000 1.104 350 F CA 1.717 59.760 58.000 0.072 0.000 1.232 350 F CB -0.419 38.627 39.000 0.076 0.000 0.987 350 F HN -0.011 nan 8.300 nan 0.000 0.475 351 Y N 0.610 121.052 120.300 0.236 0.000 2.224 351 Y HA -0.098 4.451 4.550 -0.001 0.000 0.289 351 Y C 2.187 178.099 175.900 0.019 0.000 1.146 351 Y CA 1.310 59.492 58.100 0.137 0.000 1.182 351 Y CB -0.700 37.844 38.460 0.141 0.000 0.983 351 Y HN 0.067 nan 8.280 nan 0.000 0.524 352 A N -0.443 122.412 122.820 0.058 0.000 2.209 352 A HA 0.246 4.566 4.320 -0.001 0.000 0.212 352 A C 1.944 179.451 177.584 -0.128 0.000 1.158 352 A CA 1.056 53.068 52.037 -0.041 0.000 0.742 352 A CB -1.321 17.708 19.000 0.049 0.000 0.790 352 A HN 0.981 nan 8.150 nan 0.000 0.472 353 G N -1.580 107.107 108.800 -0.190 0.000 2.157 353 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.239 353 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.239 353 G C 0.208 175.014 174.900 -0.158 0.000 0.982 353 G CA 0.370 45.338 45.100 -0.219 0.000 0.650 353 G HN 0.675 nan 8.290 nan 0.000 0.527 354 Q N 1.014 120.754 119.800 -0.099 0.000 2.452 354 Q HA 0.570 4.909 4.340 -0.001 0.000 0.230 354 Q C 0.493 176.454 176.000 -0.065 0.000 1.180 354 Q CA 0.141 55.913 55.803 -0.051 0.000 0.914 354 Q CB -0.085 28.657 28.738 0.005 0.000 1.408 354 Q HN 0.556 nan 8.270 nan 0.000 0.520 355 R N 4.577 125.016 120.500 -0.101 0.000 2.532 355 R HA 0.469 4.808 4.340 -0.001 0.000 0.297 355 R C -2.496 173.773 176.300 -0.052 0.000 0.984 355 R CA -2.111 53.933 56.100 -0.094 0.000 0.884 355 R CB 1.669 31.835 30.300 -0.225 0.000 1.182 355 R HN 0.467 nan 8.270 nan 0.000 0.442 356 P HA -0.004 nan 4.420 nan 0.000 0.268 356 P C -0.368 176.967 177.300 0.058 0.000 1.205 356 P CA -0.080 63.037 63.100 0.027 0.000 0.771 356 P CB 0.905 32.614 31.700 0.015 0.000 0.858 357 A N 4.667 127.563 122.820 0.127 0.000 3.019 357 A HA 0.233 4.553 4.320 -0.001 0.000 0.262 357 A C 0.684 178.341 177.584 0.122 0.000 1.509 357 A CA -0.369 51.760 52.037 0.154 0.000 1.159 357 A CB -1.316 17.866 19.000 0.305 0.000 1.042 357 A HN 0.478 nan 8.150 nan 0.000 0.641 358 I N 0.892 121.516 120.570 0.089 0.000 2.365 358 I HA 0.108 4.278 4.170 -0.001 0.000 0.291 358 I C 0.269 176.440 176.117 0.090 0.000 1.004 358 I CA -0.645 60.707 61.300 0.088 0.000 1.311 358 I CB 1.087 39.125 38.000 0.064 0.000 1.401 358 I HN 0.310 nan 8.210 nan 0.000 0.491 359 N N 6.461 125.229 118.700 0.112 0.000 2.439 359 N HA 0.054 4.794 4.740 -0.001 0.000 0.243 359 N C 0.684 176.250 175.510 0.093 0.000 1.088 359 N CA -0.263 52.841 53.050 0.091 0.000 0.940 359 N CB 1.340 39.874 38.487 0.078 0.000 1.180 359 N HN 0.531 nan 8.380 nan 0.000 0.505 360 V N 2.180 122.135 119.914 0.069 0.000 3.041 360 V HA 0.179 4.298 4.120 -0.001 0.000 0.260 360 V C 1.898 178.026 176.094 0.056 0.000 1.105 360 V CA 1.506 63.844 62.300 0.064 0.000 1.125 360 V CB -0.718 31.135 31.823 0.050 0.000 0.730 360 V HN 0.475 nan 8.190 nan 0.000 0.479 361 G N 0.303 109.129 108.800 0.043 0.000 2.408 361 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.215 361 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.215 361 G C 1.382 176.294 174.900 0.021 0.000 1.156 361 G CA 1.029 46.145 45.100 0.026 0.000 0.793 361 G HN 0.461 nan 8.290 nan 0.000 0.535 362 L N 1.115 122.345 121.223 0.013 0.000 2.249 362 L HA 0.364 4.704 4.340 -0.001 0.000 0.207 362 L C 1.439 178.381 176.870 0.120 0.000 1.090 362 L CA 0.342 55.160 54.840 -0.036 0.000 0.802 362 L CB -0.275 41.658 42.059 -0.209 0.000 0.947 362 L HN -0.017 nan 8.230 nan 0.000 0.453 363 S N -0.973 114.867 115.700 0.234 0.000 2.579 363 S HA 0.380 4.849 4.470 -0.001 0.000 0.275 363 S C -0.368 174.327 174.600 0.159 0.000 1.345 363 S CA -0.114 58.260 58.200 0.290 0.000 1.031 363 S CB 1.510 64.822 63.200 0.186 0.000 0.892 363 S HN 0.113 nan 8.310 nan 0.000 0.529 364 V N 1.483 121.474 119.914 0.128 0.000 3.048 364 V HA 0.701 4.821 4.120 -0.001 0.000 0.303 364 V C -1.078 175.042 176.094 0.044 0.000 1.214 364 V CA -0.423 61.924 62.300 0.078 0.000 0.984 364 V CB 2.516 34.392 31.823 0.088 0.000 1.054 364 V HN 0.794 nan 8.190 nan 0.000 0.430 365 S N 5.556 121.275 115.700 0.030 0.000 2.293 365 S HA 0.396 4.866 4.470 -0.001 0.000 0.154 365 S C 0.997 175.607 174.600 0.017 0.000 1.602 365 S CA -0.431 57.779 58.200 0.016 0.000 1.260 365 S CB 0.340 63.544 63.200 0.007 0.000 1.270 365 S HN 0.830 nan 8.310 nan 0.000 0.416 366 R N 0.958 121.471 120.500 0.020 0.000 2.222 366 R HA -0.190 4.149 4.340 -0.001 0.000 0.235 366 R C 2.158 178.466 176.300 0.013 0.000 1.112 366 R CA 2.251 58.362 56.100 0.019 0.000 0.897 366 R CB -1.810 28.503 30.300 0.021 0.000 0.882 366 R HN 0.654 nan 8.270 nan 0.000 0.429 367 V N -1.090 118.831 119.914 0.011 0.000 2.867 367 V HA -0.006 4.114 4.120 -0.001 0.000 0.260 367 V C 2.101 178.197 176.094 0.005 0.000 1.099 367 V CA 1.986 64.291 62.300 0.008 0.000 1.122 367 V CB -1.085 30.742 31.823 0.007 0.000 0.708 367 V HN 0.489 nan 8.190 nan 0.000 0.490 368 G N 0.367 109.169 108.800 0.004 0.000 2.511 368 G HA2 0.086 4.046 3.960 -0.001 0.000 0.217 368 G HA3 0.086 4.046 3.960 -0.001 0.000 0.217 368 G C 1.445 176.347 174.900 0.003 0.000 1.133 368 G CA 0.544 45.645 45.100 0.001 0.000 0.792 368 G HN 0.695 nan 8.290 nan 0.000 0.539 369 G N 1.332 110.136 108.800 0.006 0.000 2.422 369 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.218 369 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.218 369 G C 2.153 177.057 174.900 0.006 0.000 1.146 369 G CA 1.744 46.849 45.100 0.008 0.000 0.769 369 G HN 0.575 nan 8.290 nan 0.000 0.547 370 S N 1.094 116.797 115.700 0.005 0.000 2.395 370 S HA 0.249 4.719 4.470 -0.001 0.000 0.225 370 S C 2.595 177.196 174.600 0.001 0.000 1.027 370 S CA 1.145 59.347 58.200 0.004 0.000 0.965 370 S CB -0.331 62.872 63.200 0.004 0.000 0.812 370 S HN 0.523 nan 8.310 nan 0.000 0.482 371 A N 1.478 124.297 122.820 -0.001 0.000 1.972 371 A HA -0.012 4.308 4.320 -0.001 0.000 0.219 371 A C 1.417 178.998 177.584 -0.005 0.000 1.169 371 A CA 0.664 52.699 52.037 -0.004 0.000 0.635 371 A CB -0.771 18.225 19.000 -0.007 0.000 0.810 371 A HN 0.618 nan 8.150 nan 0.000 0.446 372 Q N 0.692 120.490 119.800 -0.002 0.000 2.368 372 Q HA 0.144 4.484 4.340 -0.001 0.000 0.331 372 Q C 0.237 176.237 176.000 -0.000 0.000 1.086 372 Q CA 0.078 55.880 55.803 -0.001 0.000 1.031 372 Q CB 0.066 28.806 28.738 0.004 0.000 1.125 372 Q HN 0.669 nan 8.270 nan 0.000 0.389 373 I N 0.883 121.452 120.570 -0.002 0.000 2.938 373 I HA 0.005 4.175 4.170 -0.001 0.000 0.285 373 I C 1.082 177.201 176.117 0.004 0.000 1.182 373 I CA -0.270 61.029 61.300 -0.002 0.000 1.388 373 I CB 0.758 38.754 38.000 -0.006 0.000 1.390 373 I HN 0.726 nan 8.210 nan 0.000 0.600 374 K N 4.496 124.898 120.400 0.004 0.000 2.032 374 K HA -0.052 4.267 4.320 -0.001 0.000 0.209 374 K C 1.192 177.801 176.600 0.015 0.000 1.048 374 K CA 1.383 57.675 56.287 0.009 0.000 0.927 374 K CB -0.305 32.199 32.500 0.006 0.000 0.712 374 K HN 0.889 nan 8.250 nan 0.000 0.441 378 Q N 1.037 120.864 119.800 0.045 0.000 2.291 378 Q HA -0.099 4.240 4.340 -0.001 0.000 0.206 378 Q C 1.805 177.855 176.000 0.083 0.000 0.976 378 Q CA 1.911 57.752 55.803 0.064 0.000 0.875 378 Q CB 0.194 28.979 28.738 0.079 0.000 0.927 378 Q HN 0.339 nan 8.270 nan 0.000 0.450 379 V N -5.111 114.853 119.914 0.082 0.000 3.570 379 V HA 0.337 4.457 4.120 -0.001 0.000 0.257 379 V C 1.876 177.993 176.094 0.038 0.000 1.272 379 V CA 0.640 62.987 62.300 0.079 0.000 1.079 379 V CB -0.104 31.794 31.823 0.126 0.000 0.829 379 V HN 0.130 nan 8.190 nan 0.000 0.454 380 A N 1.751 124.591 122.820 0.034 0.000 1.969 380 A HA 0.337 4.657 4.320 -0.001 0.000 0.218 380 A C 1.719 179.311 177.584 0.015 0.000 1.169 380 A CA 1.212 53.262 52.037 0.022 0.000 0.635 380 A CB -1.210 17.803 19.000 0.022 0.000 0.810 380 A HN 0.784 nan 8.150 nan 0.000 0.445 384 R N 0.695 121.197 120.500 0.003 0.000 2.081 384 R HA -0.041 4.298 4.340 -0.001 0.000 0.235 384 R C 1.998 178.305 176.300 0.012 0.000 1.131 384 R CA 2.469 58.575 56.100 0.011 0.000 0.960 384 R CB -0.448 29.860 30.300 0.014 0.000 0.856 384 R HN 0.563 nan 8.270 nan 0.000 0.436 385 I N 1.119 121.692 120.570 0.004 0.000 2.202 385 I HA -0.259 3.910 4.170 -0.001 0.000 0.242 385 I C 1.589 177.710 176.117 0.006 0.000 1.091 385 I CA 1.449 62.752 61.300 0.004 0.000 1.368 385 I CB -0.337 37.661 38.000 -0.003 0.000 1.058 385 I HN 0.211 nan 8.210 nan 0.000 0.410 386 D N 0.807 121.202 120.400 -0.008 0.000 2.149 386 D HA -0.150 4.489 4.640 -0.001 0.000 0.198 386 D C 2.292 178.608 176.300 0.026 0.000 0.990 386 D CA 1.273 55.265 54.000 -0.013 0.000 0.839 386 D CB -0.268 40.500 40.800 -0.053 0.000 0.948 386 D HN 0.298 nan 8.370 nan 0.000 0.460 387 L N 0.351 121.596 121.223 0.036 0.000 2.109 387 L HA -0.049 4.291 4.340 -0.001 0.000 0.207 387 L C 2.489 179.421 176.870 0.103 0.000 1.086 387 L CA 0.845 55.743 54.840 0.097 0.000 0.760 387 L CB -0.375 41.726 42.059 0.070 0.000 0.910 387 L HN -0.025 nan 8.230 nan 0.000 0.437 388 A N -0.153 122.700 122.820 0.054 0.000 1.883 388 A HA -0.309 4.010 4.320 -0.001 0.000 0.217 388 A C 2.211 179.816 177.584 0.035 0.000 1.186 388 A CA 2.082 54.139 52.037 0.035 0.000 0.624 388 A CB -0.594 18.420 19.000 0.024 0.000 0.822 388 A HN 0.387 nan 8.150 nan 0.000 0.444 389 Q N -1.492 118.335 119.800 0.045 0.000 2.050 389 Q HA -0.208 4.131 4.340 -0.001 0.000 0.202 389 Q C 1.870 177.907 176.000 0.062 0.000 0.980 389 Q CA 2.274 58.103 55.803 0.043 0.000 0.840 389 Q CB -0.697 28.061 28.738 0.034 0.000 0.898 389 Q HN 0.693 nan 8.270 nan 0.000 0.424 390 Y N 1.477 121.742 120.300 -0.057 0.000 2.114 390 Y HA -0.279 4.270 4.550 -0.001 0.000 0.282 390 Y C 2.229 178.076 175.900 -0.089 0.000 1.165 390 Y CA 2.552 60.605 58.100 -0.078 0.000 1.148 390 Y CB -0.499 37.920 38.460 -0.068 0.000 0.972 390 Y HN 0.327 nan 8.280 nan 0.000 0.504 391 R N 0.378 120.794 120.500 -0.139 0.000 2.090 391 R HA -0.144 4.196 4.340 -0.001 0.000 0.228 391 R C 2.173 178.357 176.300 -0.192 0.000 1.110 391 R CA 1.548 57.493 56.100 -0.257 0.000 0.973 391 R CB -0.786 29.436 30.300 -0.131 0.000 0.869 391 R HN 0.503 nan 8.270 nan 0.000 0.440 392 E N 1.468 121.609 120.200 -0.100 0.000 2.049 392 E HA -0.211 4.139 4.350 -0.001 0.000 0.198 392 E C 2.049 178.554 176.600 -0.157 0.000 1.007 392 E CA 1.818 58.184 56.400 -0.056 0.000 0.809 392 E CB -0.197 29.514 29.700 0.017 0.000 0.749 392 E HN 0.470 nan 8.360 nan 0.000 0.450 393 L N 0.748 121.819 121.223 -0.252 0.000 2.127 393 L HA -0.165 4.174 4.340 -0.001 0.000 0.211 393 L C 2.472 178.901 176.870 -0.736 0.000 1.089 393 L CA 1.033 55.529 54.840 -0.574 0.000 0.757 393 L CB -0.421 41.444 42.059 -0.324 0.000 0.899 393 L HN 0.179 nan 8.230 nan 0.000 0.434 394 E N -0.437 119.462 120.200 -0.502 0.000 2.338 394 E HA -0.128 4.222 4.350 -0.001 0.000 0.197 394 E C 2.108 178.528 176.600 -0.300 0.000 1.007 394 E CA 0.888 57.019 56.400 -0.447 0.000 0.849 394 E CB -0.346 29.037 29.700 -0.529 0.000 0.774 394 E HN 0.425 nan 8.360 nan 0.000 0.506 395 T N 0.728 115.145 114.554 -0.230 0.000 2.685 395 T HA -0.201 4.148 4.350 -0.001 0.000 0.268 395 T C 1.387 176.164 174.700 0.127 0.000 1.034 395 T CA 1.961 64.052 62.100 -0.013 0.000 1.149 395 T CB -0.213 68.739 68.868 0.139 0.000 0.860 395 T HN 0.434 nan 8.240 nan 0.000 0.449 396 F N -1.471 118.500 119.950 0.036 0.000 2.880 396 F HA 0.741 5.268 4.527 -0.001 0.000 0.346 396 F C 1.938 177.762 175.800 0.039 0.000 1.054 396 F CA -0.196 57.862 58.000 0.098 0.000 1.151 396 F CB -0.514 38.535 39.000 0.081 0.000 1.066 396 F HN 0.011 nan 8.300 nan 0.000 0.566 397 A N 2.124 124.693 122.820 -0.418 0.000 1.927 397 A HA -0.332 3.988 4.320 -0.001 0.000 0.220 397 A C 2.302 179.787 177.584 -0.165 0.000 1.185 397 A CA 2.620 54.493 52.037 -0.274 0.000 0.639 397 A CB -1.139 17.665 19.000 -0.328 0.000 0.820 397 A HN 0.737 nan 8.150 nan 0.000 0.451 398 Q N -2.404 117.210 119.800 -0.310 0.000 2.436 398 Q HA 0.007 4.347 4.340 -0.001 0.000 0.209 398 Q C 0.867 176.529 176.000 -0.564 0.000 0.965 398 Q CA 1.309 56.817 55.803 -0.492 0.000 0.910 398 Q CB -0.307 28.019 28.738 -0.688 0.000 0.980 398 Q HN 0.594 nan 8.270 nan 0.000 0.491 399 F N 0.706 120.693 119.950 0.061 0.000 2.678 399 F HA 0.465 4.991 4.527 -0.001 0.000 0.305 399 F C 0.754 176.607 175.800 0.089 0.000 1.090 399 F CA -0.771 57.271 58.000 0.069 0.000 1.272 399 F CB 0.168 39.208 39.000 0.067 0.000 1.060 399 F HN 0.043 nan 8.300 nan 0.000 0.576 400 A N 0.783 123.743 122.820 0.235 0.000 2.520 400 A HA 0.243 4.562 4.320 -0.001 0.000 0.245 400 A C 1.662 179.322 177.584 0.126 0.000 1.072 400 A CA 0.580 52.741 52.037 0.207 0.000 0.761 400 A CB -0.114 19.024 19.000 0.229 0.000 1.004 400 A HN 0.454 nan 8.150 nan 0.000 0.499 401 T N -0.282 114.331 114.554 0.098 0.000 2.929 401 T HA 0.031 4.381 4.350 -0.001 0.000 0.271 401 T C 0.405 175.137 174.700 0.053 0.000 1.085 401 T CA 1.364 63.504 62.100 0.066 0.000 1.125 401 T CB -0.630 68.266 68.868 0.048 0.000 0.874 401 T HN 1.044 nan 8.240 nan 0.000 0.494 402 E N -0.525 119.712 120.200 0.062 0.000 2.389 402 E HA 0.508 4.858 4.350 -0.001 0.000 0.281 402 E C -2.044 174.598 176.600 0.069 0.000 1.111 402 E CA -1.109 55.322 56.400 0.050 0.000 0.869 402 E CB 0.485 30.206 29.700 0.034 0.000 1.259 402 E HN 0.213 nan 8.360 nan 0.000 0.434 403 L N 1.897 123.154 121.223 0.056 0.000 2.408 403 L HA 0.420 4.759 4.340 -0.001 0.000 0.268 403 L C -0.620 176.274 176.870 0.040 0.000 0.986 403 L CA -1.231 53.648 54.840 0.066 0.000 0.820 403 L CB 1.747 43.839 42.059 0.055 0.000 1.303 403 L HN 0.698 nan 8.230 nan 0.000 0.411 404 D N 2.036 122.461 120.400 0.042 0.000 2.360 404 D HA 0.146 4.785 4.640 -0.001 0.000 0.242 404 D C -2.103 174.205 176.300 0.013 0.000 1.184 404 D CA -1.784 52.230 54.000 0.024 0.000 0.930 404 D CB 0.417 41.231 40.800 0.023 0.000 1.161 404 D HN 0.138 nan 8.370 nan 0.000 0.447 405 P HA -0.139 nan 4.420 nan 0.000 0.215 405 P C 1.263 178.556 177.300 -0.011 0.000 1.153 405 P CA 2.538 65.634 63.100 -0.007 0.000 0.853 405 P CB -0.081 31.613 31.700 -0.010 0.000 0.788 406 A N -1.034 121.782 122.820 -0.006 0.000 1.902 406 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 406 A C 2.241 179.822 177.584 -0.005 0.000 1.181 406 A CA 2.457 54.488 52.037 -0.010 0.000 0.623 406 A CB -1.844 17.153 19.000 -0.004 0.000 0.818 406 A HN 0.164 nan 8.150 nan 0.000 0.443 407 T N -0.395 114.165 114.554 0.011 0.000 2.737 407 T HA -0.110 4.240 4.350 -0.001 0.000 0.265 407 T C 2.047 176.749 174.700 0.004 0.000 1.038 407 T CA 1.421 63.532 62.100 0.019 0.000 1.144 407 T CB -0.237 68.660 68.868 0.049 0.000 0.866 407 T HN 0.516 nan 8.240 nan 0.000 0.434 408 R N 1.113 121.612 120.500 -0.001 0.000 2.105 408 R HA -0.031 4.308 4.340 -0.001 0.000 0.239 408 R C 2.791 179.073 176.300 -0.029 0.000 1.135 408 R CA 1.343 57.435 56.100 -0.013 0.000 0.967 408 R CB -0.502 29.789 30.300 -0.014 0.000 0.861 408 R HN 0.364 nan 8.270 nan 0.000 0.442 409 A N 1.212 124.011 122.820 -0.035 0.000 1.902 409 A HA -0.224 4.096 4.320 -0.001 0.000 0.217 409 A C 2.072 179.616 177.584 -0.067 0.000 1.181 409 A CA 1.268 53.271 52.037 -0.056 0.000 0.623 409 A CB -0.401 18.565 19.000 -0.057 0.000 0.818 409 A HN 0.341 nan 8.150 nan 0.000 0.443 410 Q N -0.517 119.257 119.800 -0.044 0.000 2.084 410 Q HA -0.134 4.205 4.340 -0.001 0.000 0.202 410 Q C 2.054 178.032 176.000 -0.036 0.000 0.978 410 Q CA 1.597 57.377 55.803 -0.037 0.000 0.844 410 Q CB -0.356 28.380 28.738 -0.003 0.000 0.898 410 Q HN 0.752 nan 8.270 nan 0.000 0.426 411 I N 0.338 120.908 120.570 0.000 0.000 2.142 411 I HA -0.295 3.875 4.170 -0.001 0.000 0.240 411 I C 2.221 178.260 176.117 -0.131 0.000 1.078 411 I CA 1.120 62.448 61.300 0.046 0.000 1.343 411 I CB -0.270 37.773 38.000 0.071 0.000 1.046 411 I HN 0.192 nan 8.210 nan 0.000 0.405 412 I N 0.471 120.975 120.570 -0.111 0.000 2.151 412 I HA -0.346 3.824 4.170 -0.001 0.000 0.243 412 I C 2.781 178.769 176.117 -0.214 0.000 1.080 412 I CA 1.385 62.598 61.300 -0.146 0.000 1.339 412 I CB -0.318 37.617 38.000 -0.108 0.000 1.039 412 I HN 0.193 nan 8.210 nan 0.000 0.409 413 R N 1.393 121.771 120.500 -0.203 0.000 2.083 413 R HA -0.148 4.192 4.340 -0.001 0.000 0.237 413 R C 2.206 178.322 176.300 -0.306 0.000 1.137 413 R CA 2.028 57.997 56.100 -0.219 0.000 0.951 413 R CB -1.313 28.884 30.300 -0.172 0.000 0.851 413 R HN 0.372 nan 8.270 nan 0.000 0.434 414 G N -0.185 108.350 108.800 -0.441 0.000 2.440 414 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.218 414 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.218 414 G C 1.304 175.659 174.900 -0.909 0.000 1.154 414 G CA 0.872 45.496 45.100 -0.794 0.000 0.767 414 G HN 0.488 nan 8.290 nan 0.000 0.552 415 Q N -0.381 118.949 119.800 -0.783 0.000 2.124 415 Q HA -0.032 4.308 4.340 -0.001 0.000 0.202 415 Q C 2.865 178.708 176.000 -0.262 0.000 0.977 415 Q CA 0.759 56.305 55.803 -0.429 0.000 0.850 415 Q CB -0.061 28.535 28.738 -0.236 0.000 0.901 415 Q HN 0.203 nan 8.270 nan 0.000 0.429 416 R N 0.485 120.834 120.500 -0.252 0.000 2.075 416 R HA 0.010 4.350 4.340 -0.001 0.000 0.232 416 R C 1.298 177.497 176.300 -0.169 0.000 1.126 416 R CA 0.675 56.659 56.100 -0.194 0.000 0.963 416 R CB -0.936 29.242 30.300 -0.203 0.000 0.858 416 R HN 0.243 nan 8.270 nan 0.000 0.435 420 L N 1.218 122.414 121.223 -0.044 0.000 2.275 420 L HA 0.059 4.399 4.340 -0.001 0.000 0.215 420 L C 1.863 178.727 176.870 -0.010 0.000 1.119 420 L CA 0.830 55.656 54.840 -0.024 0.000 0.790 420 L CB -0.147 41.893 42.059 -0.032 0.000 0.919 420 L HN 0.195 nan 8.230 nan 0.000 0.443 421 L N -0.651 120.563 121.223 -0.015 0.000 2.492 421 L HA -0.031 4.309 4.340 -0.001 0.000 0.223 421 L C 0.898 177.764 176.870 -0.007 0.000 1.132 421 L CA 0.310 55.147 54.840 -0.005 0.000 0.850 421 L CB -0.235 41.824 42.059 0.000 0.000 0.966 421 L HN 0.157 nan 8.230 nan 0.000 0.454 422 K N 1.232 121.624 120.400 -0.014 0.000 2.295 422 K HA 0.223 4.543 4.320 -0.001 0.000 0.270 422 K C -0.184 176.405 176.600 -0.017 0.000 1.011 422 K CA 0.187 56.461 56.287 -0.023 0.000 0.953 422 K CB 0.851 33.333 32.500 -0.031 0.000 0.956 422 K HN -0.013 nan 8.250 nan 0.000 0.477 423 Q N 1.577 121.361 119.800 -0.027 0.000 2.352 423 Q HA 0.109 4.449 4.340 -0.001 0.000 0.270 423 Q C -1.502 174.473 176.000 -0.041 0.000 1.006 423 Q CA -0.460 55.329 55.803 -0.023 0.000 0.880 423 Q CB 1.817 30.542 28.738 -0.021 0.000 1.392 423 Q HN 0.541 nan 8.270 nan 0.000 0.401 424 E N 1.566 121.747 120.200 -0.031 0.000 2.373 424 E HA 0.055 4.405 4.350 -0.001 0.000 0.263 424 E C -0.646 175.905 176.600 -0.082 0.000 1.073 424 E CA -0.247 56.128 56.400 -0.041 0.000 0.894 424 E CB 1.051 30.749 29.700 -0.002 0.000 1.008 424 E HN 0.436 nan 8.360 nan 0.000 0.420 425 Q N 1.226 120.941 119.800 -0.140 0.000 2.392 425 Q HA -0.084 4.256 4.340 -0.001 0.000 0.262 425 Q C -0.847 174.985 176.000 -0.279 0.000 1.003 425 Q CA 0.084 55.679 55.803 -0.348 0.000 0.888 425 Q CB 0.227 28.631 28.738 -0.556 0.000 1.260 425 Q HN 0.603 nan 8.270 nan 0.000 0.435 426 Y N -0.063 120.111 120.300 -0.210 0.000 4.490 426 Y HA -0.244 4.305 4.550 -0.001 0.000 0.233 426 Y C -0.129 175.592 175.900 -0.298 0.000 1.101 426 Y CA 0.930 58.775 58.100 -0.424 0.000 2.010 426 Y CB -2.122 35.919 38.460 -0.699 0.000 1.622 426 Y HN 0.432 nan 8.280 nan 0.000 0.675 427 S N 0.243 115.914 115.700 -0.048 0.000 2.272 427 S HA 0.311 4.781 4.470 -0.001 0.000 0.207 427 S C -1.809 172.783 174.600 -0.013 0.000 1.336 427 S CA -0.830 57.367 58.200 -0.004 0.000 1.259 427 S CB 1.000 64.210 63.200 0.017 0.000 1.130 427 S HN 0.176 nan 8.310 nan 0.000 0.444 431 V N 1.467 121.377 119.914 -0.007 0.000 2.407 431 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 431 V C 2.042 178.134 176.094 -0.004 0.000 1.055 431 V CA 2.632 64.929 62.300 -0.005 0.000 1.049 431 V CB -0.292 31.525 31.823 -0.011 0.000 0.662 431 V HN 0.792 nan 8.190 nan 0.000 0.455 432 E N -0.208 119.985 120.200 -0.012 0.000 2.153 432 E HA -0.285 4.065 4.350 -0.001 0.000 0.194 432 E C 1.821 178.405 176.600 -0.026 0.000 0.988 432 E CA 1.892 58.278 56.400 -0.022 0.000 0.811 432 E CB -0.493 29.187 29.700 -0.033 0.000 0.746 432 E HN 0.800 nan 8.360 nan 0.000 0.466 433 E N 0.829 121.017 120.200 -0.020 0.000 2.107 433 E HA -0.123 4.227 4.350 -0.001 0.000 0.191 433 E C 2.326 178.938 176.600 0.020 0.000 0.982 433 E CA 0.827 57.213 56.400 -0.023 0.000 0.809 433 E CB -0.070 29.623 29.700 -0.011 0.000 0.756 433 E HN 0.397 nan 8.360 nan 0.000 0.459 434 Q N 0.487 120.302 119.800 0.024 0.000 2.061 434 Q HA -0.161 4.179 4.340 -0.001 0.000 0.204 434 Q C 2.426 178.459 176.000 0.056 0.000 0.984 434 Q CA 1.496 57.321 55.803 0.038 0.000 0.846 434 Q CB -0.128 28.625 28.738 0.025 0.000 0.902 434 Q HN 0.153 nan 8.270 nan 0.000 0.421 435 V N 0.952 120.894 119.914 0.045 0.000 2.261 435 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 435 V C 2.447 178.608 176.094 0.111 0.000 1.047 435 V CA 1.915 64.254 62.300 0.065 0.000 1.015 435 V CB -0.894 30.947 31.823 0.029 0.000 0.642 435 V HN 0.423 nan 8.190 nan 0.000 0.446 436 V N -1.901 118.064 119.914 0.085 0.000 2.427 436 V HA -0.136 3.984 4.120 -0.001 0.000 0.248 436 V C 2.207 178.478 176.094 0.296 0.000 1.051 436 V CA 1.910 64.301 62.300 0.152 0.000 1.048 436 V CB -0.710 31.163 31.823 0.083 0.000 0.666 436 V HN 0.278 nan 8.190 nan 0.000 0.456 437 V N 0.399 120.460 119.914 0.244 0.000 2.358 437 V HA -0.173 3.947 4.120 -0.001 0.000 0.246 437 V C 2.647 178.820 176.094 0.132 0.000 1.047 437 V CA 2.415 64.844 62.300 0.216 0.000 1.035 437 V CB -0.523 31.399 31.823 0.166 0.000 0.658 437 V HN 0.501 nan 8.190 nan 0.000 0.452 438 L N -1.470 119.826 121.223 0.122 0.000 2.156 438 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 438 L C 2.307 179.242 176.870 0.108 0.000 1.095 438 L CA 1.425 56.315 54.840 0.083 0.000 0.770 438 L CB -0.546 41.554 42.059 0.069 0.000 0.914 438 L HN 0.350 nan 8.230 nan 0.000 0.439 439 F N 1.102 121.068 119.950 0.025 0.000 2.075 439 F HA -0.276 4.250 4.527 -0.001 0.000 0.297 439 F C 2.522 178.353 175.800 0.051 0.000 1.113 439 F CA 1.484 59.506 58.000 0.036 0.000 1.218 439 F CB -0.244 38.781 39.000 0.043 0.000 0.984 439 F HN 0.010 nan 8.300 nan 0.000 0.472 440 A N 0.367 123.312 122.820 0.209 0.000 1.927 440 A HA -0.176 4.144 4.320 -0.001 0.000 0.220 440 A C 2.461 180.038 177.584 -0.012 0.000 1.185 440 A CA 2.099 54.174 52.037 0.064 0.000 0.639 440 A CB -1.869 17.043 19.000 -0.146 0.000 0.820 440 A HN 0.558 nan 8.150 nan 0.000 0.451 441 G N -0.404 108.357 108.800 -0.064 0.000 2.434 441 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.214 441 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.214 441 G C 1.640 176.453 174.900 -0.146 0.000 1.202 441 G CA 2.104 47.134 45.100 -0.117 0.000 0.788 441 G HN 1.080 nan 8.290 nan 0.000 0.539 442 V N -1.328 118.499 119.914 -0.146 0.000 2.594 442 V HA 0.030 4.150 4.120 -0.001 0.000 0.253 442 V C 2.396 178.344 176.094 -0.244 0.000 1.069 442 V CA 1.564 63.761 62.300 -0.172 0.000 1.082 442 V CB -0.490 31.250 31.823 -0.138 0.000 0.680 442 V HN 0.122 nan 8.190 nan 0.000 0.469 443 R N 1.131 121.434 120.500 -0.329 0.000 2.313 443 R HA 0.285 4.625 4.340 -0.001 0.000 0.199 443 R C 1.850 177.887 176.300 -0.439 0.000 0.958 443 R CA 0.646 56.508 56.100 -0.397 0.000 1.047 443 R CB -0.359 29.645 30.300 -0.494 0.000 0.955 443 R HN 0.904 nan 8.270 nan 0.000 0.481 444 G N -0.118 108.483 108.800 -0.331 0.000 2.176 444 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.232 444 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.232 444 G C 0.461 175.158 174.900 -0.338 0.000 0.986 444 G CA -0.023 44.873 45.100 -0.339 0.000 0.643 444 G HN 0.367 nan 8.290 nan 0.000 0.522 445 Y N -0.178 119.985 120.300 -0.228 0.000 2.616 445 Y HA 0.305 4.855 4.550 -0.001 0.000 0.296 445 Y C 2.320 178.000 175.900 -0.367 0.000 1.154 445 Y CA 0.930 58.889 58.100 -0.236 0.000 1.325 445 Y CB 0.164 38.505 38.460 -0.199 0.000 1.007 445 Y HN 0.321 nan 8.280 nan 0.000 0.542 446 L N -0.971 120.086 121.223 -0.276 0.000 2.693 446 L HA 0.085 4.424 4.340 -0.001 0.000 0.235 446 L C 1.273 177.983 176.870 -0.267 0.000 1.127 446 L CA 0.277 54.867 54.840 -0.416 0.000 0.914 446 L CB -0.318 41.469 42.059 -0.454 0.000 1.193 446 L HN 0.010 nan 8.230 nan 0.000 0.502 447 D N 0.833 121.107 120.400 -0.211 0.000 2.149 447 D HA -0.205 4.435 4.640 -0.001 0.000 0.198 447 D C 1.391 177.613 176.300 -0.129 0.000 0.990 447 D CA 1.622 55.521 54.000 -0.168 0.000 0.839 447 D CB -0.057 40.645 40.800 -0.162 0.000 0.948 447 D HN 0.482 nan 8.370 nan 0.000 0.460 448 D N -0.205 120.126 120.400 -0.114 0.000 2.349 448 D HA -0.040 4.600 4.640 -0.001 0.000 0.224 448 D C 0.399 176.673 176.300 -0.044 0.000 1.029 448 D CA -0.004 53.955 54.000 -0.068 0.000 0.879 448 D CB -0.443 40.331 40.800 -0.044 0.000 0.906 448 D HN 0.181 nan 8.370 nan 0.000 0.528 449 L N -0.108 121.072 121.223 -0.073 0.000 2.360 449 L HA 0.476 4.816 4.340 -0.001 0.000 0.271 449 L C -2.207 174.649 176.870 -0.024 0.000 1.057 449 L CA -2.525 52.304 54.840 -0.018 0.000 0.803 449 L CB 0.788 42.819 42.059 -0.046 0.000 1.207 449 L HN -0.309 nan 8.230 nan 0.000 0.445 450 P HA -0.063 nan 4.420 nan 0.000 0.266 450 P C 0.716 178.013 177.300 -0.005 0.000 1.195 450 P CA -0.028 63.075 63.100 0.006 0.000 0.768 450 P CB 0.895 32.611 31.700 0.028 0.000 0.838 451 V N 3.470 123.368 119.914 -0.026 0.000 2.392 451 V HA -0.235 3.884 4.120 -0.001 0.000 0.249 451 V C 1.853 177.940 176.094 -0.012 0.000 1.059 451 V CA 2.127 64.404 62.300 -0.038 0.000 1.051 451 V CB -0.944 30.849 31.823 -0.049 0.000 0.658 451 V HN 0.623 nan 8.190 nan 0.000 0.455 452 E N -0.051 120.152 120.200 0.005 0.000 2.401 452 E HA -0.223 4.126 4.350 -0.001 0.000 0.199 452 E C 1.477 178.111 176.600 0.057 0.000 1.023 452 E CA 1.357 57.770 56.400 0.021 0.000 0.859 452 E CB -0.354 29.356 29.700 0.017 0.000 0.780 452 E HN 0.809 nan 8.360 nan 0.000 0.523 453 E N 0.542 120.792 120.200 0.084 0.000 2.498 453 E HA 0.091 4.441 4.350 -0.001 0.000 0.203 453 E C 1.756 178.467 176.600 0.185 0.000 1.013 453 E CA -0.050 56.456 56.400 0.176 0.000 0.927 453 E CB 0.595 30.451 29.700 0.260 0.000 1.012 453 E HN 0.022 nan 8.360 nan 0.000 0.482 454 V N 1.801 121.757 119.914 0.071 0.000 2.332 454 V HA -0.283 3.836 4.120 -0.001 0.000 0.248 454 V C 2.330 178.483 176.094 0.099 0.000 1.055 454 V CA 1.651 63.965 62.300 0.022 0.000 1.038 454 V CB -0.404 31.386 31.823 -0.054 0.000 0.651 454 V HN 0.266 nan 8.190 nan 0.000 0.450 455 R N 0.107 120.662 120.500 0.090 0.000 2.080 455 R HA -0.187 4.152 4.340 -0.001 0.000 0.236 455 R C 2.357 178.745 176.300 0.146 0.000 1.137 455 R CA 1.911 58.068 56.100 0.095 0.000 0.943 455 R CB -0.829 29.510 30.300 0.065 0.000 0.846 455 R HN 0.466 nan 8.270 nan 0.000 0.431 456 R N 0.019 120.634 120.500 0.192 0.000 2.081 456 R HA -0.144 4.196 4.340 -0.001 0.000 0.235 456 R C 2.259 178.744 176.300 0.309 0.000 1.131 456 R CA 1.387 57.640 56.100 0.256 0.000 0.960 456 R CB -0.414 30.073 30.300 0.311 0.000 0.856 456 R HN 0.146 nan 8.270 nan 0.000 0.436 457 F N 1.773 121.774 119.950 0.085 0.000 2.126 457 F HA -0.212 4.315 4.527 -0.001 0.000 0.299 457 F C 2.231 177.988 175.800 -0.072 0.000 1.096 457 F CA 2.202 60.073 58.000 -0.216 0.000 1.255 457 F CB -0.318 38.394 39.000 -0.480 0.000 0.997 457 F HN 0.158 nan 8.300 nan 0.000 0.479 458 E N 0.313 120.679 120.200 0.275 0.000 2.051 458 E HA -0.296 4.053 4.350 -0.001 0.000 0.192 458 E C 2.391 179.054 176.600 0.104 0.000 0.991 458 E CA 1.568 58.092 56.400 0.208 0.000 0.799 458 E CB -0.299 29.496 29.700 0.158 0.000 0.748 458 E HN 0.453 nan 8.360 nan 0.000 0.449 459 K N 0.386 120.846 120.400 0.101 0.000 2.002 459 K HA -0.212 4.108 4.320 -0.001 0.000 0.209 459 K C 2.013 178.646 176.600 0.056 0.000 1.048 459 K CA 1.885 58.220 56.287 0.080 0.000 0.930 459 K CB -0.021 32.541 32.500 0.103 0.000 0.714 459 K HN 0.156 nan 8.250 nan 0.000 0.438 460 E N -0.370 119.885 120.200 0.091 0.000 2.106 460 E HA -0.175 4.175 4.350 -0.001 0.000 0.192 460 E C 1.853 178.351 176.600 -0.170 0.000 0.984 460 E CA 0.900 57.383 56.400 0.138 0.000 0.806 460 E CB -0.178 29.782 29.700 0.434 0.000 0.750 460 E HN 0.288 nan 8.360 nan 0.000 0.458 461 F N 1.545 121.002 119.950 -0.823 0.000 2.126 461 F HA -0.171 4.356 4.527 -0.001 0.000 0.299 461 F C 1.831 177.352 175.800 -0.466 0.000 1.096 461 F CA 1.306 58.530 58.000 -1.293 0.000 1.255 461 F CB -0.195 38.123 39.000 -1.137 0.000 0.997 461 F HN -0.082 nan 8.300 nan 0.000 0.479 462 L N -0.348 120.619 121.223 -0.426 0.000 2.109 462 L HA -0.146 4.194 4.340 -0.001 0.000 0.207 462 L C 2.652 179.360 176.870 -0.270 0.000 1.086 462 L CA 1.055 55.633 54.840 -0.435 0.000 0.760 462 L CB -0.541 41.413 42.059 -0.174 0.000 0.910 462 L HN 0.024 nan 8.230 nan 0.000 0.437 463 R N -0.481 119.976 120.500 -0.072 0.000 2.083 463 R HA -0.171 4.169 4.340 -0.001 0.000 0.237 463 R C 1.189 177.492 176.300 0.004 0.000 1.137 463 R CA 1.165 57.291 56.100 0.043 0.000 0.951 463 R CB -0.547 29.804 30.300 0.084 0.000 0.851 463 R HN 0.107 nan 8.270 nan 0.000 0.434 467 E N 1.756 121.885 120.200 -0.118 0.000 2.107 467 E HA -0.050 4.299 4.350 -0.001 0.000 0.191 467 E C 0.959 177.397 176.600 -0.270 0.000 0.982 467 E CA 1.127 57.440 56.400 -0.145 0.000 0.809 467 E CB 0.375 30.021 29.700 -0.091 0.000 0.756 467 E HN 0.305 nan 8.360 nan 0.000 0.459 468 K N -1.555 118.546 120.400 -0.498 0.000 2.440 468 K HA 0.139 4.459 4.320 -0.001 0.000 0.207 468 K C 0.071 176.092 176.600 -0.964 0.000 1.112 468 K CA -0.042 55.819 56.287 -0.711 0.000 1.036 468 K CB 0.985 32.954 32.500 -0.886 0.000 0.935 468 K HN 0.055 nan 8.250 nan 0.000 0.564 469 H N -0.051 118.780 119.070 -0.397 0.000 2.907 469 H HA 0.073 4.629 4.556 -0.001 0.000 0.233 469 H C 0.675 175.861 175.328 -0.237 0.000 1.285 469 H CA -0.060 55.811 56.048 -0.294 0.000 0.981 469 H CB 1.092 30.660 29.762 -0.322 0.000 2.255 469 H HN 0.041 nan 8.280 nan 0.000 0.601 470 Q N 1.847 121.572 119.800 -0.126 0.000 2.181 470 Q HA -0.144 4.196 4.340 -0.001 0.000 0.205 470 Q C 1.772 177.737 176.000 -0.058 0.000 0.980 470 Q CA 2.207 57.964 55.803 -0.077 0.000 0.862 470 Q CB 0.138 28.852 28.738 -0.040 0.000 0.905 470 Q HN 0.565 nan 8.270 nan 0.000 0.429 471 D N -0.593 119.777 120.400 -0.050 0.000 2.218 471 D HA -0.186 4.454 4.640 -0.001 0.000 0.204 471 D C 1.753 178.028 176.300 -0.042 0.000 0.976 471 D CA 1.041 55.018 54.000 -0.038 0.000 0.853 471 D CB -0.346 40.437 40.800 -0.029 0.000 0.939 471 D HN 0.486 nan 8.370 nan 0.000 0.481 472 I N 0.372 120.913 120.570 -0.049 0.000 2.202 472 I HA -0.221 3.948 4.170 -0.001 0.000 0.242 472 I C 2.688 178.751 176.117 -0.091 0.000 1.091 472 I CA 0.655 61.909 61.300 -0.078 0.000 1.368 472 I CB -0.173 37.763 38.000 -0.106 0.000 1.058 472 I HN -0.052 nan 8.210 nan 0.000 0.410 473 L N 0.256 121.417 121.223 -0.103 0.000 2.017 473 L HA -0.249 4.090 4.340 -0.001 0.000 0.208 473 L C 2.178 179.014 176.870 -0.058 0.000 1.073 473 L CA 1.313 56.095 54.840 -0.096 0.000 0.745 473 L CB -0.772 41.215 42.059 -0.120 0.000 0.894 473 L HN 0.247 nan 8.230 nan 0.000 0.432 474 D N -0.247 120.126 120.400 -0.046 0.000 2.149 474 D HA -0.212 4.427 4.640 -0.001 0.000 0.198 474 D C 1.773 178.051 176.300 -0.037 0.000 0.990 474 D CA 1.388 55.368 54.000 -0.034 0.000 0.839 474 D CB -0.170 40.612 40.800 -0.030 0.000 0.948 474 D HN 0.315 nan 8.370 nan 0.000 0.460 475 D N -0.132 120.243 120.400 -0.043 0.000 2.103 475 D HA -0.044 4.595 4.640 -0.001 0.000 0.199 475 D C 2.179 178.453 176.300 -0.043 0.000 0.978 475 D CA 0.533 54.508 54.000 -0.041 0.000 0.829 475 D CB -0.067 40.706 40.800 -0.045 0.000 0.981 475 D HN 0.112 nan 8.370 nan 0.000 0.464 476 I N 0.386 120.924 120.570 -0.054 0.000 2.163 476 I HA -0.283 3.887 4.170 -0.001 0.000 0.243 476 I C 2.465 178.560 176.117 -0.038 0.000 1.085 476 I CA 1.203 62.472 61.300 -0.051 0.000 1.347 476 I CB -0.332 37.630 38.000 -0.063 0.000 1.044 476 I HN 0.044 nan 8.210 nan 0.000 0.408 477 K N 0.550 120.928 120.400 -0.036 0.000 2.009 477 K HA -0.207 4.113 4.320 -0.001 0.000 0.210 477 K C 2.086 178.670 176.600 -0.027 0.000 1.049 477 K CA 2.257 58.527 56.287 -0.029 0.000 0.929 477 K CB -0.149 32.335 32.500 -0.027 0.000 0.714 477 K HN 0.232 nan 8.250 nan 0.000 0.440 478 T N 0.900 115.437 114.554 -0.027 0.000 2.812 478 T HA -0.039 4.311 4.350 -0.001 0.000 0.264 478 T C 1.572 176.259 174.700 -0.023 0.000 1.042 478 T CA 1.279 63.364 62.100 -0.025 0.000 1.140 478 T CB 0.004 68.857 68.868 -0.024 0.000 0.870 478 T HN 0.296 nan 8.240 nan 0.000 0.445 479 K N 0.639 121.024 120.400 -0.024 0.000 2.305 479 K HA 0.119 4.438 4.320 -0.001 0.000 0.199 479 K C 0.651 177.240 176.600 -0.018 0.000 1.047 479 K CA 0.334 56.609 56.287 -0.020 0.000 0.976 479 K CB 0.161 32.648 32.500 -0.022 0.000 0.765 479 K HN 0.236 nan 8.250 nan 0.000 0.474 480 K N 0.967 121.355 120.400 -0.020 0.000 3.407 480 K HA -0.219 4.101 4.320 -0.001 0.000 0.312 480 K C -0.350 176.242 176.600 -0.013 0.000 1.302 480 K CA 1.399 57.676 56.287 -0.017 0.000 0.931 480 K CB -1.471 31.020 32.500 -0.015 0.000 1.257 480 K HN 0.570 nan 8.250 nan 0.000 0.454 481 E N 0.019 120.209 120.200 -0.016 0.000 2.429 481 E HA 0.509 4.859 4.350 -0.001 0.000 0.276 481 E C -1.264 175.321 176.600 -0.025 0.000 0.953 481 E CA -1.239 55.154 56.400 -0.012 0.000 0.787 481 E CB 1.428 31.125 29.700 -0.006 0.000 1.307 481 E HN 0.019 nan 8.360 nan 0.000 0.458 482 L N 2.437 123.646 121.223 -0.023 0.000 2.272 482 L HA 0.297 4.636 4.340 -0.001 0.000 0.284 482 L C -0.159 176.692 176.870 -0.032 0.000 1.045 482 L CA 0.031 54.841 54.840 -0.051 0.000 0.842 482 L CB 0.935 42.952 42.059 -0.070 0.000 1.224 482 L HN 0.760 nan 8.230 nan 0.000 0.430 483 T N 0.468 115.000 114.554 -0.036 0.000 2.813 483 T HA 0.183 4.532 4.350 -0.001 0.000 0.297 483 T C 1.287 175.975 174.700 -0.021 0.000 1.036 483 T CA 0.037 62.124 62.100 -0.021 0.000 1.044 483 T CB 0.849 69.704 68.868 -0.021 0.000 0.993 483 T HN 0.607 nan 8.240 nan 0.000 0.535 484 S N 0.152 115.850 115.700 -0.004 0.000 2.382 484 S HA -0.124 4.345 4.470 -0.001 0.000 0.228 484 S C 1.844 176.443 174.600 -0.002 0.000 1.027 484 S CA 1.239 59.444 58.200 0.007 0.000 0.991 484 S CB -0.520 62.690 63.200 0.016 0.000 0.823 484 S HN 0.893 nan 8.310 nan 0.000 0.469 485 E N 0.997 121.191 120.200 -0.010 0.000 2.031 485 E HA -0.159 4.190 4.350 -0.001 0.000 0.193 485 E C 1.832 178.413 176.600 -0.031 0.000 0.994 485 E CA 1.619 58.011 56.400 -0.013 0.000 0.800 485 E CB -0.181 29.511 29.700 -0.013 0.000 0.752 485 E HN 0.427 nan 8.360 nan 0.000 0.447 486 T N 0.638 115.163 114.554 -0.049 0.000 2.821 486 T HA -0.167 4.182 4.350 -0.001 0.000 0.267 486 T C 1.672 176.295 174.700 -0.129 0.000 1.046 486 T CA 1.352 63.403 62.100 -0.082 0.000 1.139 486 T CB -0.222 68.594 68.868 -0.086 0.000 0.871 486 T HN 0.325 nan 8.240 nan 0.000 0.454 487 E N 0.822 120.949 120.200 -0.121 0.000 2.058 487 E HA -0.209 4.140 4.350 -0.001 0.000 0.194 487 E C 2.211 178.764 176.600 -0.078 0.000 0.997 487 E CA 1.035 57.338 56.400 -0.163 0.000 0.801 487 E CB 0.037 29.711 29.700 -0.043 0.000 0.746 487 E HN 0.257 nan 8.360 nan 0.000 0.450 488 E N 0.793 120.982 120.200 -0.017 0.000 2.077 488 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 488 E C 2.012 178.606 176.600 -0.009 0.000 0.989 488 E CA 1.001 57.411 56.400 0.017 0.000 0.800 488 E CB -0.049 29.665 29.700 0.023 0.000 0.746 488 E HN 0.281 nan 8.360 nan 0.000 0.452 489 K N 0.347 120.720 120.400 -0.045 0.000 2.097 489 K HA -0.162 4.157 4.320 -0.001 0.000 0.206 489 K C 2.212 178.733 176.600 -0.131 0.000 1.049 489 K CA 0.663 56.908 56.287 -0.070 0.000 0.933 489 K CB -0.245 32.214 32.500 -0.069 0.000 0.717 489 K HN 0.051 nan 8.250 nan 0.000 0.442 490 L N 2.060 123.189 121.223 -0.158 0.000 2.027 490 L HA -0.144 4.196 4.340 -0.001 0.000 0.206 490 L C 1.985 178.795 176.870 -0.100 0.000 1.074 490 L CA 1.780 56.504 54.840 -0.194 0.000 0.745 490 L CB -0.330 41.492 42.059 -0.396 0.000 0.898 490 L HN -0.006 nan 8.230 nan 0.000 0.433 491 K N -0.399 119.998 120.400 -0.006 0.000 2.044 491 K HA -0.238 4.082 4.320 -0.001 0.000 0.210 491 K C 2.103 178.707 176.600 0.006 0.000 1.049 491 K CA 2.058 58.403 56.287 0.097 0.000 0.927 491 K CB -0.186 32.456 32.500 0.236 0.000 0.713 491 K HN 0.357 nan 8.250 nan 0.000 0.443 492 K N 0.097 120.504 120.400 0.013 0.000 2.097 492 K HA -0.071 4.249 4.320 -0.001 0.000 0.205 492 K C 2.192 178.807 176.600 0.024 0.000 1.050 492 K CA 1.051 57.355 56.287 0.028 0.000 0.938 492 K CB -0.077 32.444 32.500 0.035 0.000 0.718 492 K HN 0.127 nan 8.250 nan 0.000 0.442 493 A N 1.487 124.272 122.820 -0.058 0.000 1.933 493 A HA -0.131 4.188 4.320 -0.001 0.000 0.218 493 A C 2.103 179.830 177.584 0.239 0.000 1.175 493 A CA 1.217 53.270 52.037 0.026 0.000 0.628 493 A CB -0.527 18.265 19.000 -0.346 0.000 0.814 493 A HN 0.152 nan 8.150 nan 0.000 0.444 494 I N -0.606 119.988 120.570 0.040 0.000 2.163 494 I HA -0.253 3.917 4.170 -0.001 0.000 0.240 494 I C 2.475 178.538 176.117 -0.090 0.000 1.081 494 I CA 1.668 62.883 61.300 -0.142 0.000 1.353 494 I CB -0.503 37.111 38.000 -0.644 0.000 1.054 494 I HN 0.361 nan 8.210 nan 0.000 0.407 495 E N 0.585 120.738 120.200 -0.078 0.000 2.085 495 E HA -0.305 4.045 4.350 -0.001 0.000 0.194 495 E C 2.099 178.734 176.600 0.059 0.000 0.994 495 E CA 1.623 58.055 56.400 0.053 0.000 0.801 495 E CB -0.146 29.619 29.700 0.108 0.000 0.743 495 E HN 0.475 nan 8.360 nan 0.000 0.453 496 E N 0.123 120.376 120.200 0.089 0.000 2.077 496 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 496 E C 1.901 178.487 176.600 -0.024 0.000 0.989 496 E CA 0.963 57.434 56.400 0.119 0.000 0.800 496 E CB -0.164 29.719 29.700 0.306 0.000 0.746 496 E HN 0.262 nan 8.360 nan 0.000 0.452 497 F N 1.631 121.341 119.950 -0.399 0.000 2.134 497 F HA -0.097 4.430 4.527 -0.001 0.000 0.299 497 F C 2.069 177.696 175.800 -0.289 0.000 1.097 497 F CA 1.578 59.132 58.000 -0.744 0.000 1.264 497 F CB -0.042 38.323 39.000 -1.059 0.000 1.001 497 F HN -0.116 nan 8.300 nan 0.000 0.479 498 K N -0.462 119.848 120.400 -0.150 0.000 2.057 498 K HA -0.169 4.151 4.320 -0.001 0.000 0.207 498 K C 2.025 178.580 176.600 -0.074 0.000 1.049 498 K CA 1.796 58.058 56.287 -0.042 0.000 0.931 498 K CB -0.650 31.935 32.500 0.141 0.000 0.714 498 K HN 0.207 nan 8.250 nan 0.000 0.440 499 T N 0.449 114.963 114.554 -0.066 0.000 2.718 499 T HA -0.198 4.152 4.350 -0.001 0.000 0.266 499 T C 1.738 176.381 174.700 -0.094 0.000 1.033 499 T CA 2.165 64.235 62.100 -0.051 0.000 1.151 499 T CB -0.256 68.599 68.868 -0.022 0.000 0.853 499 T HN 0.547 nan 8.240 nan 0.000 0.466 500 T N -1.997 112.439 114.554 -0.195 0.000 3.040 500 T HA 0.324 4.674 4.350 -0.001 0.000 0.266 500 T C 0.236 174.778 174.700 -0.262 0.000 1.005 500 T CA -0.592 61.391 62.100 -0.195 0.000 0.906 500 T CB -0.279 68.494 68.868 -0.158 0.000 1.082 500 T HN 0.214 nan 8.240 nan 0.000 0.531 501 F N 4.065 123.703 119.950 -0.520 0.000 2.504 501 F HA 0.410 4.936 4.527 -0.001 0.000 0.369 501 F C 0.450 176.137 175.800 -0.189 0.000 1.082 501 F CA -1.324 56.389 58.000 -0.479 0.000 1.216 501 F CB 0.519 39.163 39.000 -0.593 0.000 1.108 501 F HN -0.075 nan 8.300 nan 0.000 0.554 502 R N 6.204 126.191 120.500 -0.856 0.000 2.220 502 R HA 0.332 4.672 4.340 -0.001 0.000 0.340 502 R C -0.325 175.507 176.300 -0.779 0.000 1.076 502 R CA -0.623 55.109 56.100 -0.612 0.000 0.920 502 R CB 0.630 30.697 30.300 -0.388 0.000 1.062 502 R HN 0.476 nan 8.270 nan 0.000 0.469 503 V N 0.000 119.677 119.914 -0.395 0.000 2.409 503 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 503 V CA 0.000 62.201 62.300 -0.165 0.000 1.235 503 V CB 0.000 31.826 31.823 0.005 0.000 1.184 503 V HN 0.000 nan 8.190 nan 0.000 0.556