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 3gsz_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCGPEEEK LPINPLSNSL MRFHNKVYST TSRSASLRAK DATA SEQUENCE KVTFDRVQVL DAHYDSVLQD VKRAASKVSA RLLTVEEACA LTPPHSAKSR DATA SEQUENCE YGFGAKEVRS LSRRAVNHIR SVWEDLLEDQ HTPIDTTIMA KNEVFCIDXX DATA SEQUENCE XXXKKPARLI VYPDLGVRVC EKMALYDIAQ KLPKAIMGPS YGFQYSPAER DATA SEQUENCE VDFLLKAWGS KKDPMGFSYD TRCFDSTVTE RDIRTEESIY QACSLPQEAR DATA SEQUENCE TVIHSLTERL YVGGPMTNSK GQSCGYRRCR ASGVFTTSMG NTMTCYIKAL DATA SEQUENCE AACKAAGIVD PVMLVCGDDL VVISESQGNE EDERNLRAFT EAMTRYSAPP DATA SEQUENCE GDLPRPEYDL ELITSCSSNV SVALDSRGRR RYFLTRDPTT PITRAAWETV DATA SEQUENCE RHSPVNSWLG NIIQYAPTIW VRMVIMTHFF SILLAQDTLN QNLNFEMYGA DATA SEQUENCE VYSVNPLDLP AIIERLHGLE AFSLHTYSPH ELSRVAATLR KLGAPPLRAW DATA SEQUENCE KSRARAVRAS LIAQGARAAI CGRYLFNWAV KTKLKLTPLP EASRLDLSGW DATA SEQUENCE FTVGAGGGDI YHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.567 174.600 -0.055 0.000 1.055 1 S CA 0.000 58.177 58.200 -0.038 0.000 1.107 1 S CB 0.000 63.170 63.200 -0.051 0.000 0.593 2 M N 3.041 122.604 119.600 -0.063 0.000 2.211 2 M HA 0.322 4.802 4.480 0.000 0.000 0.356 2 M C 1.896 178.083 176.300 -0.188 0.000 1.216 2 M CA -0.130 55.118 55.300 -0.086 0.000 1.134 2 M CB 0.803 33.380 32.600 -0.037 0.000 1.564 2 M HN 1.060 nan 8.290 nan 0.000 0.463 3 S N 2.748 118.264 115.700 -0.307 0.000 2.370 3 S HA -0.120 4.350 4.470 0.000 0.000 0.226 3 S C 0.158 174.333 174.600 -0.708 0.000 1.033 3 S CA 1.102 58.989 58.200 -0.522 0.000 1.011 3 S CB -0.278 62.524 63.200 -0.663 0.000 0.852 3 S HN 0.644 nan 8.310 nan 0.000 0.457 4 Y N 0.905 121.070 120.300 -0.224 0.000 2.524 4 Y HA 0.578 5.128 4.550 0.000 0.000 0.347 4 Y C 0.223 175.881 175.900 -0.404 0.000 1.005 4 Y CA -0.840 57.027 58.100 -0.389 0.000 1.025 4 Y CB 1.986 40.095 38.460 -0.585 0.000 1.275 4 Y HN 0.175 nan 8.280 nan 0.000 0.460 5 T N -2.398 111.958 114.554 -0.329 0.000 2.932 5 T HA 0.753 5.103 4.350 0.000 0.000 0.289 5 T C -1.322 173.049 174.700 -0.548 0.000 1.039 5 T CA -0.830 61.100 62.100 -0.283 0.000 1.024 5 T CB 1.460 70.281 68.868 -0.079 0.000 1.090 5 T HN 0.571 nan 8.240 nan 0.000 0.496 6 W N 0.157 121.512 121.300 0.091 0.000 3.022 6 W HA 0.465 5.125 4.660 -0.000 0.000 0.335 6 W C 1.206 177.753 176.519 0.048 0.000 1.133 6 W CA -0.701 56.682 57.345 0.062 0.000 1.219 6 W CB 2.156 31.638 29.460 0.037 0.000 1.409 6 W HN 0.929 nan 8.180 nan 0.000 0.507 7 T N -2.275 112.448 114.554 0.280 0.000 3.044 7 T HA 0.345 4.695 4.350 0.000 0.000 0.255 7 T C 1.386 176.170 174.700 0.140 0.000 1.073 7 T CA 1.035 63.234 62.100 0.164 0.000 1.125 7 T CB 0.140 69.081 68.868 0.122 0.000 0.908 7 T HN 1.236 nan 8.240 nan 0.000 0.480 8 G N 1.174 110.067 108.800 0.156 0.000 2.284 8 G HA2 0.093 4.053 3.960 0.000 0.000 0.201 8 G HA3 0.093 4.053 3.960 0.000 0.000 0.201 8 G C 0.356 175.292 174.900 0.059 0.000 0.998 8 G CA -0.163 44.988 45.100 0.086 0.000 0.651 8 G HN 1.029 nan 8.290 nan 0.000 0.489 9 A N 0.999 123.867 122.820 0.081 0.000 2.498 9 A HA 0.640 4.960 4.320 0.000 0.000 0.239 9 A C 0.783 178.395 177.584 0.046 0.000 1.068 9 A CA 0.257 52.329 52.037 0.059 0.000 0.766 9 A CB 0.154 19.195 19.000 0.069 0.000 1.003 9 A HN 0.868 nan 8.150 nan 0.000 0.497 10 L N 1.606 122.840 121.223 0.019 0.000 2.439 10 L HA 0.281 4.621 4.340 0.000 0.000 0.261 10 L C 0.047 176.920 176.870 0.006 0.000 1.153 10 L CA -0.379 54.456 54.840 -0.010 0.000 0.808 10 L CB 0.610 42.660 42.059 -0.014 0.000 1.126 10 L HN 0.561 nan 8.230 nan 0.000 0.460 11 I N 1.447 122.005 120.570 -0.020 0.000 2.421 11 I HA 0.060 4.230 4.170 0.000 0.000 0.291 11 I C 0.469 176.591 176.117 0.009 0.000 1.089 11 I CA 0.104 61.407 61.300 0.005 0.000 1.354 11 I CB 0.369 38.361 38.000 -0.015 0.000 1.413 11 I HN 0.648 nan 8.210 nan 0.000 0.513 12 T N 4.983 119.550 114.554 0.022 0.000 2.943 12 T HA 0.618 4.968 4.350 0.000 0.000 0.284 12 T C -2.429 172.290 174.700 0.032 0.000 1.015 12 T CA -1.971 60.143 62.100 0.022 0.000 1.042 12 T CB 1.759 70.639 68.868 0.021 0.000 1.055 12 T HN 0.231 nan 8.240 nan 0.000 0.500 13 P HA 0.338 nan 4.420 nan 0.000 0.279 13 P C 0.243 177.566 177.300 0.039 0.000 1.276 13 P CA -0.828 62.296 63.100 0.040 0.000 0.801 13 P CB 0.595 32.319 31.700 0.041 0.000 1.127 14 C N -1.726 117.600 119.300 0.043 0.000 2.638 14 C HA 0.832 5.292 4.460 0.000 0.000 0.282 14 C C 0.612 175.623 174.990 0.034 0.000 1.473 14 C CA -0.003 59.037 59.018 0.037 0.000 1.781 14 C CB -0.887 26.880 27.740 0.044 0.000 2.780 14 C HN 0.812 nan 8.230 nan 0.000 0.531 15 G N 0.963 109.784 108.800 0.036 0.000 2.356 15 G HA2 0.424 4.384 3.960 0.000 0.000 0.288 15 G HA3 0.424 4.384 3.960 0.000 0.000 0.288 15 G C -3.234 171.692 174.900 0.044 0.000 1.302 15 G CA -0.544 44.578 45.100 0.036 0.000 0.887 15 G HN 0.156 nan 8.290 nan 0.000 0.521 16 P HA 0.364 nan 4.420 nan 0.000 0.268 16 P C -0.862 176.483 177.300 0.075 0.000 1.205 16 P CA 0.388 63.522 63.100 0.056 0.000 0.771 16 P CB 0.931 32.663 31.700 0.053 0.000 0.858 17 E N 1.297 121.548 120.200 0.086 0.000 2.316 17 E HA 0.189 4.539 4.350 0.000 0.000 0.254 17 E C -0.753 175.932 176.600 0.140 0.000 0.902 17 E CA -0.404 56.061 56.400 0.109 0.000 0.801 17 E CB 1.367 31.120 29.700 0.089 0.000 1.270 17 E HN 0.441 nan 8.360 nan 0.000 0.414 18 E N 1.998 122.319 120.200 0.202 0.000 2.313 18 E HA 0.013 4.363 4.350 0.000 0.000 0.276 18 E C 0.713 177.519 176.600 0.344 0.000 1.031 18 E CA 0.031 56.581 56.400 0.250 0.000 0.857 18 E CB 0.943 30.813 29.700 0.283 0.000 1.040 18 E HN 0.582 nan 8.360 nan 0.000 0.408 19 E N 2.804 123.180 120.200 0.294 0.000 2.340 19 E HA 0.086 4.436 4.350 0.000 0.000 0.198 19 E C -0.146 176.698 176.600 0.406 0.000 0.961 19 E CA 0.314 56.894 56.400 0.301 0.000 0.905 19 E CB 0.475 30.295 29.700 0.200 0.000 0.884 19 E HN 0.127 nan 8.360 nan 0.000 0.491 20 K N 0.891 121.510 120.400 0.364 0.000 2.259 20 K HA 0.386 4.706 4.320 0.000 0.000 0.249 20 K C -1.206 175.524 176.600 0.217 0.000 0.942 20 K CA -1.133 55.346 56.287 0.321 0.000 0.816 20 K CB 2.485 35.098 32.500 0.187 0.000 1.155 20 K HN -0.052 nan 8.250 nan 0.000 0.428 21 L N 4.622 125.980 121.223 0.224 0.000 2.313 21 L HA 0.246 4.586 4.340 0.000 0.000 0.282 21 L C -2.186 174.635 176.870 -0.082 0.000 1.092 21 L CA -1.337 53.474 54.840 -0.048 0.000 0.831 21 L CB 0.197 42.355 42.059 0.165 0.000 1.159 21 L HN 0.458 nan 8.230 nan 0.000 0.442 22 P HA 0.125 nan 4.420 nan 0.000 0.272 22 P C -0.766 176.389 177.300 -0.242 0.000 1.240 22 P CA -0.159 62.822 63.100 -0.198 0.000 0.791 22 P CB 0.576 32.163 31.700 -0.189 0.000 0.978 23 I N 2.188 122.568 120.570 -0.317 0.000 2.322 23 I HA 0.256 4.426 4.170 0.000 0.000 0.292 23 I C 0.769 176.790 176.117 -0.160 0.000 1.060 23 I CA 0.351 61.453 61.300 -0.330 0.000 1.309 23 I CB -0.503 37.275 38.000 -0.370 0.000 1.415 23 I HN 0.281 nan 8.210 nan 0.000 0.492 24 N N 8.410 127.047 118.700 -0.105 0.000 2.324 24 N HA 0.347 5.087 4.740 0.000 0.000 0.285 24 N C -2.326 173.158 175.510 -0.043 0.000 1.076 24 N CA -1.697 51.308 53.050 -0.075 0.000 0.864 24 N CB 3.070 41.506 38.487 -0.085 0.000 1.632 24 N HN 0.052 nan 8.380 nan 0.000 0.478 25 P HA -0.053 nan 4.420 nan 0.000 0.220 25 P C 1.369 178.659 177.300 -0.016 0.000 1.148 25 P CA 0.931 64.016 63.100 -0.026 0.000 0.803 25 P CB 0.651 32.332 31.700 -0.032 0.000 0.782 26 L N -0.127 121.085 121.223 -0.018 0.000 2.179 26 L HA -0.043 4.297 4.340 0.000 0.000 0.208 26 L C 2.588 179.492 176.870 0.057 0.000 1.096 26 L CA 1.702 56.543 54.840 0.000 0.000 0.779 26 L CB -0.987 41.054 42.059 -0.029 0.000 0.922 26 L HN 0.086 nan 8.230 nan 0.000 0.443 27 S N -1.462 114.253 115.700 0.025 0.000 2.458 27 S HA -0.095 4.375 4.470 0.000 0.000 0.223 27 S C 1.695 176.309 174.600 0.022 0.000 1.019 27 S CA 0.342 58.559 58.200 0.029 0.000 0.937 27 S CB -0.425 62.781 63.200 0.010 0.000 0.788 27 S HN 0.411 nan 8.310 nan 0.000 0.511 28 N N 2.218 120.929 118.700 0.018 0.000 2.244 28 N HA -0.131 4.609 4.740 0.000 0.000 0.183 28 N C 1.685 177.192 175.510 -0.004 0.000 1.016 28 N CA 1.552 54.613 53.050 0.018 0.000 0.866 28 N CB -0.183 38.313 38.487 0.015 0.000 0.980 28 N HN 0.613 nan 8.380 nan 0.000 0.430 29 S N 0.274 115.973 115.700 -0.001 0.000 2.474 29 S HA -0.107 4.363 4.470 0.000 0.000 0.235 29 S C 1.849 176.455 174.600 0.010 0.000 0.997 29 S CA 0.399 58.582 58.200 -0.028 0.000 0.949 29 S CB -0.109 63.080 63.200 -0.018 0.000 0.766 29 S HN 0.294 nan 8.310 nan 0.000 0.517 30 L N 0.839 122.097 121.223 0.059 0.000 2.221 30 L HA 0.513 4.853 4.340 0.000 0.000 0.202 30 L C 0.333 177.261 176.870 0.098 0.000 1.074 30 L CA 0.968 55.882 54.840 0.123 0.000 0.795 30 L CB -0.145 41.781 42.059 -0.222 0.000 0.960 30 L HN 0.594 nan 8.230 nan 0.000 0.458 31 M N -2.968 116.640 119.600 0.014 0.000 2.365 31 M HA 0.396 4.876 4.480 0.000 0.000 0.288 31 M C -0.071 176.206 176.300 -0.039 0.000 1.152 31 M CA -0.446 54.837 55.300 -0.030 0.000 0.948 31 M CB 1.811 34.410 32.600 -0.001 0.000 1.729 31 M HN -0.274 nan 8.290 nan 0.000 0.487 32 R N 0.790 121.186 120.500 -0.174 0.000 2.173 32 R HA 0.244 4.584 4.340 0.000 0.000 0.208 32 R C -0.255 176.092 176.300 0.079 0.000 1.035 32 R CA 0.717 56.753 56.100 -0.108 0.000 1.004 32 R CB 0.306 30.430 30.300 -0.294 0.000 0.917 32 R HN 0.580 nan 8.270 nan 0.000 0.462 33 F N 2.296 122.253 119.950 0.011 0.000 2.659 33 F HA 0.090 4.617 4.527 0.000 0.000 0.360 33 F C 1.222 176.983 175.800 -0.064 0.000 1.218 33 F CA -0.956 57.000 58.000 -0.074 0.000 1.317 33 F CB -0.744 38.233 39.000 -0.039 0.000 1.697 33 F HN 0.176 nan 8.300 nan 0.000 0.637 34 H N -1.305 117.900 119.070 0.224 0.000 2.456 34 H HA -0.112 4.444 4.556 0.000 0.000 0.296 34 H C 1.345 176.773 175.328 0.168 0.000 1.079 34 H CA 1.652 57.797 56.048 0.162 0.000 1.322 34 H CB -0.288 29.539 29.762 0.107 0.000 1.388 34 H HN 0.145 nan 8.280 nan 0.000 0.538 35 N N 0.875 119.478 118.700 -0.161 0.000 2.573 35 N HA -0.070 4.670 4.740 0.000 0.000 0.187 35 N C 0.993 176.564 175.510 0.102 0.000 1.107 35 N CA 0.714 53.791 53.050 0.045 0.000 0.918 35 N CB -0.006 38.441 38.487 -0.066 0.000 0.966 35 N HN 0.574 nan 8.380 nan 0.000 0.448 36 K N 0.219 120.692 120.400 0.121 0.000 2.418 36 K HA 0.095 4.415 4.320 0.000 0.000 0.195 36 K C 0.203 176.962 176.600 0.265 0.000 1.035 36 K CA 0.238 56.623 56.287 0.162 0.000 1.003 36 K CB 0.595 33.188 32.500 0.154 0.000 0.793 36 K HN -0.053 nan 8.250 nan 0.000 0.494 37 V N 2.103 122.192 119.914 0.291 0.000 2.539 37 V HA 0.234 4.354 4.120 0.000 0.000 0.292 37 V C -0.545 175.812 176.094 0.437 0.000 1.045 37 V CA -0.792 61.704 62.300 0.326 0.000 0.945 37 V CB 0.444 32.463 31.823 0.326 0.000 0.993 37 V HN 0.186 nan 8.190 nan 0.000 0.464 38 Y N 1.334 121.759 120.300 0.208 0.000 2.597 38 Y HA 0.782 5.332 4.550 0.000 0.000 0.340 38 Y C -0.520 175.389 175.900 0.014 0.000 1.097 38 Y CA -1.230 56.980 58.100 0.185 0.000 1.037 38 Y CB 1.683 40.232 38.460 0.148 0.000 1.305 38 Y HN 0.458 nan 8.280 nan 0.000 0.463 39 S N 1.423 117.103 115.700 -0.033 0.000 2.475 39 S HA 0.572 5.042 4.470 0.000 0.000 0.298 39 S C -0.395 174.257 174.600 0.087 0.000 1.119 39 S CA -0.226 57.809 58.200 -0.274 0.000 1.085 39 S CB 0.538 63.424 63.200 -0.525 0.000 1.028 39 S HN 1.070 nan 8.310 nan 0.000 0.489 40 T N 1.995 116.598 114.554 0.082 0.000 2.926 40 T HA 0.525 4.875 4.350 0.000 0.000 0.307 40 T C 0.412 175.173 174.700 0.101 0.000 1.059 40 T CA -0.246 61.962 62.100 0.180 0.000 1.122 40 T CB 0.664 69.653 68.868 0.201 0.000 0.972 40 T HN 0.812 nan 8.240 nan 0.000 0.545 41 T N -2.123 112.494 114.554 0.105 0.000 2.778 41 T HA 0.483 4.833 4.350 0.000 0.000 0.293 41 T C 1.385 176.120 174.700 0.059 0.000 1.144 41 T CA -0.259 61.888 62.100 0.077 0.000 1.010 41 T CB 1.161 70.080 68.868 0.085 0.000 1.325 41 T HN 0.770 nan 8.240 nan 0.000 0.515 42 S N -0.052 115.676 115.700 0.047 0.000 2.465 42 S HA -0.146 4.324 4.470 0.000 0.000 0.241 42 S C 1.723 176.332 174.600 0.015 0.000 1.000 42 S CA 0.603 58.820 58.200 0.028 0.000 0.964 42 S CB -0.738 62.479 63.200 0.028 0.000 0.763 42 S HN 0.718 nan 8.310 nan 0.000 0.512 43 R N 1.411 121.926 120.500 0.024 0.000 2.193 43 R HA -0.011 4.329 4.340 0.000 0.000 0.229 43 R C 2.051 178.350 176.300 -0.002 0.000 1.110 43 R CA 1.397 57.504 56.100 0.012 0.000 0.988 43 R CB -0.348 29.966 30.300 0.024 0.000 0.871 43 R HN 0.734 nan 8.270 nan 0.000 0.458 44 S N -1.296 114.406 115.700 0.004 0.000 2.578 44 S HA 0.279 4.749 4.470 0.000 0.000 0.231 44 S C 1.656 176.238 174.600 -0.029 0.000 0.994 44 S CA 0.035 58.230 58.200 -0.009 0.000 0.956 44 S CB 1.052 64.259 63.200 0.012 0.000 0.870 44 S HN 0.240 nan 8.310 nan 0.000 0.494 45 A N 2.241 125.038 122.820 -0.038 0.000 1.933 45 A HA 0.019 4.339 4.320 0.000 0.000 0.218 45 A C 2.323 179.819 177.584 -0.147 0.000 1.175 45 A CA 1.797 53.792 52.037 -0.070 0.000 0.628 45 A CB -1.134 17.831 19.000 -0.058 0.000 0.814 45 A HN 0.536 nan 8.150 nan 0.000 0.444 46 S N -0.238 115.367 115.700 -0.158 0.000 2.399 46 S HA -0.065 4.405 4.470 0.000 0.000 0.231 46 S C 1.741 176.233 174.600 -0.179 0.000 1.022 46 S CA 1.308 59.374 58.200 -0.222 0.000 0.983 46 S CB -0.399 62.696 63.200 -0.174 0.000 0.803 46 S HN 0.539 nan 8.310 nan 0.000 0.480 47 L N 0.694 121.851 121.223 -0.109 0.000 2.093 47 L HA -0.030 4.310 4.340 0.000 0.000 0.208 47 L C 2.617 179.450 176.870 -0.063 0.000 1.085 47 L CA 1.068 55.863 54.840 -0.074 0.000 0.755 47 L CB -0.371 41.659 42.059 -0.048 0.000 0.904 47 L HN 0.179 nan 8.230 nan 0.000 0.435 48 R N 0.931 121.392 120.500 -0.065 0.000 2.073 48 R HA -0.065 4.275 4.340 0.000 0.000 0.229 48 R C 2.242 178.510 176.300 -0.054 0.000 1.120 48 R CA 1.521 57.601 56.100 -0.032 0.000 0.967 48 R CB -0.611 29.681 30.300 -0.014 0.000 0.862 48 R HN 0.254 nan 8.270 nan 0.000 0.436 49 A N 0.927 123.638 122.820 -0.181 0.000 1.917 49 A HA -0.223 4.097 4.320 0.000 0.000 0.219 49 A C 1.992 179.490 177.584 -0.144 0.000 1.182 49 A CA 2.013 53.856 52.037 -0.324 0.000 0.633 49 A CB -0.475 17.998 19.000 -0.878 0.000 0.819 49 A HN 0.442 nan 8.150 nan 0.000 0.448 50 K N -0.323 120.002 120.400 -0.125 0.000 2.097 50 K HA -0.099 4.221 4.320 0.000 0.000 0.205 50 K C 1.982 178.649 176.600 0.111 0.000 1.050 50 K CA 1.558 57.844 56.287 -0.001 0.000 0.938 50 K CB -0.132 32.353 32.500 -0.025 0.000 0.718 50 K HN 0.441 nan 8.250 nan 0.000 0.442 51 K N 0.584 121.043 120.400 0.099 0.000 2.217 51 K HA -0.065 4.255 4.320 0.000 0.000 0.202 51 K C 1.790 178.578 176.600 0.314 0.000 1.051 51 K CA 1.250 57.633 56.287 0.159 0.000 0.952 51 K CB 0.205 32.768 32.500 0.105 0.000 0.736 51 K HN 0.120 nan 8.250 nan 0.000 0.453 52 V N -2.165 117.933 119.914 0.305 0.000 3.647 52 V HA 0.112 4.232 4.120 0.000 0.000 0.279 52 V C 0.280 176.573 176.094 0.332 0.000 1.314 52 V CA -0.116 62.422 62.300 0.397 0.000 1.125 52 V CB 0.269 32.277 31.823 0.307 0.000 0.907 52 V HN -0.092 nan 8.190 nan 0.000 0.434 53 T N 4.504 119.284 114.554 0.378 0.000 2.753 53 T HA 0.726 5.076 4.350 0.000 0.000 0.297 53 T C -0.772 174.107 174.700 0.298 0.000 0.981 53 T CA 0.014 62.304 62.100 0.318 0.000 0.956 53 T CB 0.206 69.362 68.868 0.480 0.000 0.936 53 T HN 0.629 nan 8.240 nan 0.000 0.463 54 F N -0.049 120.004 119.950 0.172 0.000 2.741 54 F HA 0.598 5.125 4.527 0.000 0.000 0.311 54 F C -1.011 174.827 175.800 0.065 0.000 1.149 54 F CA -1.734 56.328 58.000 0.104 0.000 0.930 54 F CB 0.661 39.712 39.000 0.085 0.000 1.312 54 F HN 0.225 nan 8.300 nan 0.000 0.450 55 D N 1.133 121.686 120.400 0.255 0.000 2.390 55 D HA 0.409 5.049 4.640 0.000 0.000 0.249 55 D C -0.721 175.707 176.300 0.213 0.000 1.144 55 D CA 0.188 54.275 54.000 0.144 0.000 0.880 55 D CB 0.777 41.643 40.800 0.111 0.000 1.182 55 D HN 0.567 nan 8.370 nan 0.000 0.451 56 R N 1.870 122.436 120.500 0.109 0.000 2.460 56 R HA 0.629 4.969 4.340 0.000 0.000 0.303 56 R C -0.926 175.409 176.300 0.058 0.000 0.968 56 R CA -0.818 55.353 56.100 0.119 0.000 0.889 56 R CB 1.948 32.284 30.300 0.059 0.000 1.123 56 R HN 0.180 nan 8.270 nan 0.000 0.455 57 V N 2.901 122.846 119.914 0.053 0.000 2.380 57 V HA 0.287 4.407 4.120 0.000 0.000 0.268 57 V C -0.517 175.585 176.094 0.013 0.000 1.008 57 V CA -0.738 61.576 62.300 0.024 0.000 0.823 57 V CB 0.938 32.775 31.823 0.023 0.000 1.053 57 V HN 0.656 nan 8.190 nan 0.000 0.446 58 Q N 2.759 122.558 119.800 -0.001 0.000 2.243 58 Q HA 0.681 5.021 4.340 0.000 0.000 0.252 58 Q C -1.410 174.579 176.000 -0.018 0.000 0.909 58 Q CA -0.337 55.461 55.803 -0.008 0.000 0.922 58 Q CB 2.052 30.769 28.738 -0.035 0.000 1.215 58 Q HN 0.521 nan 8.270 nan 0.000 0.427 59 V N 6.118 126.033 119.914 0.002 0.000 2.447 59 V HA 0.341 4.461 4.120 0.000 0.000 0.292 59 V C -0.386 175.736 176.094 0.047 0.000 1.021 59 V CA -0.579 61.722 62.300 0.003 0.000 0.850 59 V CB 1.347 33.171 31.823 0.003 0.000 1.005 59 V HN 0.769 nan 8.190 nan 0.000 0.426 60 L N 4.683 125.889 121.223 -0.029 0.000 2.387 60 L HA 0.779 5.119 4.340 0.000 0.000 0.266 60 L C -0.142 176.759 176.870 0.053 0.000 1.059 60 L CA -0.428 54.365 54.840 -0.079 0.000 0.801 60 L CB 1.603 43.441 42.059 -0.369 0.000 1.223 60 L HN 0.781 nan 8.230 nan 0.000 0.456 61 D N -0.115 120.368 120.400 0.139 0.000 2.812 61 D HA 0.387 5.027 4.640 0.000 0.000 0.318 61 D C 0.167 176.532 176.300 0.109 0.000 1.234 61 D CA -0.273 53.805 54.000 0.130 0.000 0.989 61 D CB 1.097 42.005 40.800 0.180 0.000 1.442 61 D HN 0.381 nan 8.370 nan 0.000 0.537 62 A N -1.010 121.806 122.820 -0.006 0.000 2.016 62 A HA -0.097 4.223 4.320 0.000 0.000 0.217 62 A C 1.689 179.235 177.584 -0.063 0.000 1.162 62 A CA 0.970 52.967 52.037 -0.066 0.000 0.662 62 A CB -1.035 17.872 19.000 -0.155 0.000 0.812 62 A HN 0.598 nan 8.150 nan 0.000 0.450 63 H N -2.015 117.121 119.070 0.111 0.000 2.321 63 H HA -0.184 4.372 4.556 0.000 0.000 0.300 63 H C 1.997 177.363 175.328 0.064 0.000 1.087 63 H CA 1.978 58.083 56.048 0.096 0.000 1.319 63 H CB -0.700 29.148 29.762 0.143 0.000 1.379 63 H HN 0.719 nan 8.280 nan 0.000 0.501 64 Y N 2.413 122.742 120.300 0.049 0.000 2.114 64 Y HA -0.226 4.324 4.550 0.000 0.000 0.284 64 Y C 2.035 177.879 175.900 -0.093 0.000 1.143 64 Y CA 1.688 59.691 58.100 -0.161 0.000 1.135 64 Y CB -0.128 38.088 38.460 -0.406 0.000 0.980 64 Y HN 0.046 nan 8.280 nan 0.000 0.499 65 D N -0.252 120.236 120.400 0.147 0.000 2.116 65 D HA -0.220 4.420 4.640 0.000 0.000 0.193 65 D C 2.438 178.709 176.300 -0.049 0.000 0.998 65 D CA 1.971 56.003 54.000 0.053 0.000 0.836 65 D CB -0.694 40.144 40.800 0.065 0.000 0.951 65 D HN 0.534 nan 8.370 nan 0.000 0.449 66 S N 0.232 115.914 115.700 -0.030 0.000 2.382 66 S HA -0.108 4.362 4.470 0.000 0.000 0.228 66 S C 2.285 176.850 174.600 -0.059 0.000 1.027 66 S CA 0.897 59.080 58.200 -0.029 0.000 0.991 66 S CB -0.685 62.516 63.200 0.001 0.000 0.823 66 S HN 0.115 nan 8.310 nan 0.000 0.469 67 V N 1.802 121.652 119.914 -0.108 0.000 2.307 67 V HA -0.065 4.055 4.120 0.000 0.000 0.245 67 V C 2.474 178.468 176.094 -0.166 0.000 1.045 67 V CA 1.566 63.786 62.300 -0.133 0.000 1.024 67 V CB -0.912 30.797 31.823 -0.189 0.000 0.651 67 V HN 0.438 nan 8.190 nan 0.000 0.449 68 L N 0.307 121.348 121.223 -0.303 0.000 2.042 68 L HA -0.249 4.091 4.340 0.000 0.000 0.210 68 L C 2.520 179.323 176.870 -0.112 0.000 1.076 68 L CA 2.384 57.076 54.840 -0.246 0.000 0.749 68 L CB -0.893 40.980 42.059 -0.310 0.000 0.893 68 L HN 0.451 nan 8.230 nan 0.000 0.432 69 Q N -1.104 118.647 119.800 -0.081 0.000 2.135 69 Q HA -0.240 4.100 4.340 0.000 0.000 0.204 69 Q C 1.648 177.631 176.000 -0.028 0.000 0.981 69 Q CA 2.042 57.820 55.803 -0.041 0.000 0.856 69 Q CB -0.051 28.671 28.738 -0.026 0.000 0.902 69 Q HN 0.556 nan 8.270 nan 0.000 0.425 70 D N -0.490 119.895 120.400 -0.025 0.000 2.149 70 D HA -0.104 4.536 4.640 0.000 0.000 0.201 70 D C 1.945 178.244 176.300 -0.001 0.000 0.972 70 D CA 0.840 54.837 54.000 -0.004 0.000 0.835 70 D CB -0.031 40.776 40.800 0.012 0.000 0.966 70 D HN 0.127 nan 8.370 nan 0.000 0.476 71 V N 1.121 121.031 119.914 -0.007 0.000 2.295 71 V HA -0.233 3.887 4.120 0.000 0.000 0.246 71 V C 2.288 178.366 176.094 -0.027 0.000 1.049 71 V CA 1.578 63.872 62.300 -0.011 0.000 1.024 71 V CB -0.305 31.510 31.823 -0.013 0.000 0.648 71 V HN 0.172 nan 8.190 nan 0.000 0.447 72 K N -0.454 119.928 120.400 -0.031 0.000 2.147 72 K HA -0.193 4.128 4.320 0.000 0.000 0.205 72 K C 2.365 178.956 176.600 -0.014 0.000 1.049 72 K CA 1.336 57.608 56.287 -0.025 0.000 0.936 72 K CB -0.197 32.289 32.500 -0.024 0.000 0.722 72 K HN 0.315 nan 8.250 nan 0.000 0.446 73 R N 0.770 121.263 120.500 -0.012 0.000 2.066 73 R HA -0.087 4.253 4.340 0.000 0.000 0.232 73 R C 2.238 178.534 176.300 -0.007 0.000 1.131 73 R CA 1.355 57.451 56.100 -0.006 0.000 0.955 73 R CB -0.211 30.087 30.300 -0.003 0.000 0.851 73 R HN 0.166 nan 8.270 nan 0.000 0.432 74 A N 0.633 123.447 122.820 -0.010 0.000 1.972 74 A HA -0.106 4.214 4.320 0.000 0.000 0.219 74 A C 2.282 179.854 177.584 -0.020 0.000 1.169 74 A CA 1.658 53.686 52.037 -0.015 0.000 0.635 74 A CB -0.665 18.322 19.000 -0.022 0.000 0.810 74 A HN 0.542 nan 8.150 nan 0.000 0.446 75 A N -0.573 122.235 122.820 -0.020 0.000 1.969 75 A HA -0.027 4.293 4.320 0.000 0.000 0.218 75 A C 2.324 179.908 177.584 -0.000 0.000 1.169 75 A CA 1.746 53.776 52.037 -0.012 0.000 0.635 75 A CB -0.807 18.188 19.000 -0.007 0.000 0.810 75 A HN 0.438 nan 8.150 nan 0.000 0.445 76 S N 0.008 115.708 115.700 -0.000 0.000 2.407 76 S HA -0.205 4.265 4.470 0.000 0.000 0.235 76 S C 1.654 176.255 174.600 0.003 0.000 1.036 76 S CA 1.885 60.087 58.200 0.004 0.000 1.013 76 S CB -0.245 62.956 63.200 0.002 0.000 0.820 76 S HN 0.691 nan 8.310 nan 0.000 0.476 77 K N 0.645 121.044 120.400 -0.002 0.000 2.487 77 K HA 0.135 4.455 4.320 0.000 0.000 0.192 77 K C -0.183 176.415 176.600 -0.003 0.000 1.027 77 K CA 0.092 56.378 56.287 -0.003 0.000 1.054 77 K CB 0.282 32.778 32.500 -0.006 0.000 0.824 77 K HN 0.139 nan 8.250 nan 0.000 0.510 78 V N 1.705 121.618 119.914 -0.002 0.000 2.481 78 V HA 0.150 4.270 4.120 0.000 0.000 0.286 78 V C 0.015 176.113 176.094 0.007 0.000 1.042 78 V CA -0.687 61.612 62.300 -0.001 0.000 0.928 78 V CB 1.462 33.284 31.823 -0.003 0.000 0.986 78 V HN 0.185 nan 8.190 nan 0.000 0.462 79 S N 3.883 119.586 115.700 0.005 0.000 2.500 79 S HA 0.928 5.398 4.470 0.000 0.000 0.301 79 S C -0.629 173.977 174.600 0.011 0.000 1.092 79 S CA -0.154 58.053 58.200 0.011 0.000 1.030 79 S CB 1.964 65.169 63.200 0.009 0.000 1.031 79 S HN 1.349 nan 8.310 nan 0.000 0.483 80 A N 2.978 125.808 122.820 0.018 0.000 2.515 80 A HA 0.939 5.259 4.320 0.000 0.000 0.296 80 A C -0.435 177.164 177.584 0.026 0.000 1.094 80 A CA -1.247 50.801 52.037 0.019 0.000 0.718 80 A CB 1.496 20.508 19.000 0.019 0.000 1.307 80 A HN 1.149 nan 8.150 nan 0.000 0.408 81 R N 0.357 120.873 120.500 0.027 0.000 2.919 81 R HA 0.816 5.156 4.340 0.000 0.000 0.260 81 R C -1.378 174.940 176.300 0.031 0.000 1.067 81 R CA -0.795 55.321 56.100 0.026 0.000 1.003 81 R CB 0.596 30.904 30.300 0.013 0.000 1.192 81 R HN 0.397 nan 8.270 nan 0.000 0.488 82 L N 1.472 122.709 121.223 0.023 0.000 2.417 82 L HA 0.249 4.589 4.340 0.000 0.000 0.268 82 L C -0.286 176.555 176.870 -0.047 0.000 1.158 82 L CA -0.482 54.361 54.840 0.004 0.000 0.819 82 L CB 0.652 42.709 42.059 -0.004 0.000 1.112 82 L HN 0.525 nan 8.230 nan 0.000 0.458 83 L N 1.676 122.849 121.223 -0.084 0.000 2.395 83 L HA 0.326 4.666 4.340 0.000 0.000 0.269 83 L C 0.868 177.614 176.870 -0.207 0.000 1.133 83 L CA 0.019 54.783 54.840 -0.128 0.000 0.812 83 L CB 0.863 42.834 42.059 -0.148 0.000 1.125 83 L HN 0.826 nan 8.230 nan 0.000 0.452 84 T N -0.709 113.735 114.554 -0.183 0.000 2.795 84 T HA 0.164 4.514 4.350 0.000 0.000 0.314 84 T C 1.445 176.000 174.700 -0.242 0.000 1.069 84 T CA -0.664 61.309 62.100 -0.212 0.000 1.071 84 T CB 0.495 69.272 68.868 -0.153 0.000 0.988 84 T HN 0.259 nan 8.240 nan 0.000 0.543 85 V N 1.959 121.717 119.914 -0.260 0.000 2.332 85 V HA -0.162 3.958 4.120 0.000 0.000 0.248 85 V C 2.732 178.721 176.094 -0.176 0.000 1.055 85 V CA 2.251 64.411 62.300 -0.233 0.000 1.038 85 V CB -1.137 30.552 31.823 -0.223 0.000 0.651 85 V HN 0.905 nan 8.190 nan 0.000 0.450 86 E N 0.063 120.172 120.200 -0.152 0.000 2.110 86 E HA -0.217 4.133 4.350 0.000 0.000 0.193 86 E C 2.187 178.710 176.600 -0.128 0.000 0.988 86 E CA 1.420 57.745 56.400 -0.125 0.000 0.804 86 E CB -0.235 29.402 29.700 -0.104 0.000 0.745 86 E HN 0.669 nan 8.360 nan 0.000 0.458 87 E N 0.092 120.206 120.200 -0.143 0.000 2.072 87 E HA -0.105 4.246 4.350 0.000 0.000 0.191 87 E C 2.039 178.517 176.600 -0.203 0.000 0.985 87 E CA 0.873 57.179 56.400 -0.157 0.000 0.801 87 E CB -0.102 29.506 29.700 -0.152 0.000 0.750 87 E HN 0.288 nan 8.360 nan 0.000 0.452 88 A N 0.494 123.188 122.820 -0.211 0.000 1.929 88 A HA -0.154 4.166 4.320 0.000 0.000 0.216 88 A C 2.354 179.833 177.584 -0.176 0.000 1.176 88 A CA 0.862 52.762 52.037 -0.228 0.000 0.628 88 A CB -0.703 18.168 19.000 -0.215 0.000 0.816 88 A HN 0.342 nan 8.150 nan 0.000 0.444 89 C N -0.938 118.274 119.300 -0.145 0.000 2.429 89 C HA 0.023 4.483 4.460 0.000 0.000 0.277 89 C C 3.229 178.155 174.990 -0.107 0.000 1.262 89 C CA 0.886 59.835 59.018 -0.114 0.000 1.733 89 C CB -1.242 26.432 27.740 -0.110 0.000 2.010 89 C HN 0.696 nan 8.230 nan 0.000 0.483 90 A N -0.217 122.540 122.820 -0.106 0.000 2.121 90 A HA 0.012 4.332 4.320 0.000 0.000 0.218 90 A C 1.876 179.434 177.584 -0.042 0.000 1.154 90 A CA 1.077 53.073 52.037 -0.069 0.000 0.679 90 A CB -0.482 18.480 19.000 -0.064 0.000 0.795 90 A HN 0.677 nan 8.150 nan 0.000 0.458 91 L N -0.342 120.815 121.223 -0.110 0.000 2.599 91 L HA 0.032 4.373 4.340 0.000 0.000 0.230 91 L C 0.275 177.109 176.870 -0.059 0.000 1.141 91 L CA 0.076 54.854 54.840 -0.102 0.000 0.877 91 L CB -0.187 41.713 42.059 -0.264 0.000 1.009 91 L HN 0.103 nan 8.230 nan 0.000 0.447 92 T N 1.992 116.493 114.554 -0.087 0.000 2.749 92 T HA 0.239 4.589 4.350 0.000 0.000 0.295 92 T C -2.302 172.270 174.700 -0.214 0.000 0.936 92 T CA -1.159 60.874 62.100 -0.112 0.000 1.060 92 T CB 1.131 69.939 68.868 -0.099 0.000 0.904 92 T HN -0.139 nan 8.240 nan 0.000 0.500 93 P HA 0.145 nan 4.420 nan 0.000 0.268 93 P C -1.897 175.128 177.300 -0.459 0.000 1.205 93 P CA -1.400 61.459 63.100 -0.401 0.000 0.771 93 P CB 0.222 31.801 31.700 -0.202 0.000 0.858 94 P HA -0.175 nan 4.420 nan 0.000 0.217 94 P C 0.666 177.587 177.300 -0.633 0.000 1.148 94 P CA 1.744 64.446 63.100 -0.663 0.000 0.828 94 P CB -0.156 31.037 31.700 -0.845 0.000 0.783 95 H N -2.230 116.732 119.070 -0.180 0.000 2.505 95 H HA 0.260 4.816 4.556 0.000 0.000 0.286 95 H C 0.442 175.702 175.328 -0.114 0.000 1.072 95 H CA -0.240 55.735 56.048 -0.122 0.000 1.141 95 H CB -0.078 29.620 29.762 -0.106 0.000 1.550 95 H HN 0.051 nan 8.280 nan 0.000 0.547 96 S N 1.196 116.852 115.700 -0.075 0.000 2.558 96 S HA 0.281 4.751 4.470 0.000 0.000 0.288 96 S C 0.675 175.243 174.600 -0.054 0.000 1.318 96 S CA -0.531 57.623 58.200 -0.077 0.000 1.056 96 S CB 0.295 63.444 63.200 -0.085 0.000 0.853 96 S HN 0.522 nan 8.310 nan 0.000 0.505 97 A N 4.852 127.625 122.820 -0.078 0.000 2.567 97 A HA 0.203 4.524 4.320 0.000 0.000 0.240 97 A C 0.582 178.155 177.584 -0.018 0.000 1.053 97 A CA -0.030 51.979 52.037 -0.046 0.000 0.755 97 A CB -0.193 18.768 19.000 -0.066 0.000 0.978 97 A HN 0.874 nan 8.150 nan 0.000 0.507 98 K N 2.335 122.719 120.400 -0.028 0.000 2.276 98 K HA 0.327 4.647 4.320 0.000 0.000 0.259 98 K C 0.367 176.884 176.600 -0.139 0.000 1.001 98 K CA 0.021 56.258 56.287 -0.084 0.000 0.927 98 K CB 0.452 32.903 32.500 -0.082 0.000 0.969 98 K HN 0.435 nan 8.250 nan 0.000 0.490 99 S N -0.193 115.306 115.700 -0.335 0.000 2.593 99 S HA 0.044 4.514 4.470 0.000 0.000 0.269 99 S C 1.009 175.404 174.600 -0.342 0.000 1.334 99 S CA -0.653 57.297 58.200 -0.417 0.000 1.015 99 S CB 0.556 63.131 63.200 -1.042 0.000 0.912 99 S HN 0.782 nan 8.310 nan 0.000 0.541 100 R N 1.394 121.713 120.500 -0.303 0.000 2.313 100 R HA 0.081 4.421 4.340 0.000 0.000 0.199 100 R C 0.081 176.037 176.300 -0.572 0.000 0.958 100 R CA 1.020 56.869 56.100 -0.417 0.000 1.047 100 R CB -0.347 29.674 30.300 -0.465 0.000 0.955 100 R HN 0.639 nan 8.270 nan 0.000 0.481 101 Y N 0.895 120.984 120.300 -0.352 0.000 2.583 101 Y HA 0.359 4.909 4.550 0.000 0.000 0.294 101 Y C 1.088 176.884 175.900 -0.173 0.000 1.170 101 Y CA -0.041 57.885 58.100 -0.290 0.000 1.265 101 Y CB 0.844 38.991 38.460 -0.521 0.000 1.119 101 Y HN 0.366 nan 8.280 nan 0.000 0.522 102 G N 0.655 109.380 108.800 -0.125 0.000 2.171 102 G HA2 -0.262 3.698 3.960 0.000 0.000 0.238 102 G HA3 -0.262 3.698 3.960 0.000 0.000 0.238 102 G C -0.355 174.609 174.900 0.108 0.000 1.039 102 G CA 0.214 45.312 45.100 -0.004 0.000 0.759 102 G HN 0.440 nan 8.290 nan 0.000 0.501 103 F N -2.523 117.416 119.950 -0.018 0.000 2.693 103 F HA 0.832 5.359 4.527 0.000 0.000 0.309 103 F C 0.296 176.088 175.800 -0.013 0.000 1.129 103 F CA -0.840 57.151 58.000 -0.015 0.000 0.948 103 F CB 0.560 39.552 39.000 -0.014 0.000 1.315 103 F HN 0.531 nan 8.300 nan 0.000 0.447 104 G N -0.087 108.803 108.800 0.151 0.000 3.251 104 G HA2 0.577 4.537 3.960 0.000 0.000 0.248 104 G HA3 0.577 4.537 3.960 0.000 0.000 0.248 104 G C 0.235 175.220 174.900 0.142 0.000 1.320 104 G CA -0.548 44.589 45.100 0.061 0.000 0.982 104 G HN 1.156 nan 8.290 nan 0.000 0.575 105 A N -0.503 122.338 122.820 0.034 0.000 1.930 105 A HA 0.007 4.327 4.320 0.000 0.000 0.217 105 A C 2.128 179.686 177.584 -0.043 0.000 1.175 105 A CA 2.236 54.264 52.037 -0.015 0.000 0.627 105 A CB -0.516 18.422 19.000 -0.104 0.000 0.815 105 A HN 0.599 nan 8.150 nan 0.000 0.443 106 K N -0.228 120.145 120.400 -0.044 0.000 2.032 106 K HA -0.241 4.079 4.320 0.000 0.000 0.209 106 K C 1.793 178.376 176.600 -0.028 0.000 1.048 106 K CA 1.933 58.185 56.287 -0.058 0.000 0.927 106 K CB -0.169 32.309 32.500 -0.037 0.000 0.712 106 K HN 0.387 nan 8.250 nan 0.000 0.441 107 E N 0.258 120.472 120.200 0.024 0.000 2.110 107 E HA -0.135 4.215 4.350 0.000 0.000 0.193 107 E C 1.918 178.495 176.600 -0.038 0.000 0.988 107 E CA 1.145 57.553 56.400 0.014 0.000 0.804 107 E CB -0.102 29.651 29.700 0.089 0.000 0.745 107 E HN 0.101 nan 8.360 nan 0.000 0.458 108 V N 0.753 120.667 119.914 0.001 0.000 2.295 108 V HA -0.267 3.853 4.120 0.000 0.000 0.246 108 V C 2.156 178.205 176.094 -0.075 0.000 1.049 108 V CA 1.958 64.230 62.300 -0.047 0.000 1.024 108 V CB -0.373 31.462 31.823 0.021 0.000 0.648 108 V HN 0.205 nan 8.190 nan 0.000 0.447 109 R N 0.709 121.162 120.500 -0.078 0.000 2.115 109 R HA -0.098 4.242 4.340 0.000 0.000 0.230 109 R C 2.325 178.578 176.300 -0.078 0.000 1.111 109 R CA 1.576 57.620 56.100 -0.094 0.000 0.976 109 R CB -0.411 29.811 30.300 -0.130 0.000 0.870 109 R HN 0.679 nan 8.270 nan 0.000 0.445 110 S N 0.461 116.120 115.700 -0.070 0.000 2.593 110 S HA 0.082 4.552 4.470 0.000 0.000 0.217 110 S C 0.852 175.412 174.600 -0.067 0.000 0.966 110 S CA -0.122 58.043 58.200 -0.060 0.000 0.914 110 S CB -0.245 62.926 63.200 -0.048 0.000 0.776 110 S HN 0.341 nan 8.310 nan 0.000 0.523 111 L N 1.647 122.820 121.223 -0.084 0.000 3.597 111 L HA -0.170 4.170 4.340 0.000 0.000 0.440 111 L C 0.589 177.400 176.870 -0.099 0.000 1.277 111 L CA 0.225 55.006 54.840 -0.098 0.000 0.852 111 L CB -2.982 39.026 42.059 -0.086 0.000 1.708 111 L HN 0.626 nan 8.230 nan 0.000 0.885 112 S N -0.554 115.082 115.700 -0.106 0.000 2.568 112 S HA 0.280 4.750 4.470 0.000 0.000 0.282 112 S C 1.433 175.958 174.600 -0.124 0.000 1.338 112 S CA 0.109 58.251 58.200 -0.097 0.000 1.045 112 S CB 1.418 64.569 63.200 -0.082 0.000 0.873 112 S HN 0.420 nan 8.310 nan 0.000 0.516 113 R N 1.453 121.900 120.500 -0.089 0.000 2.103 113 R HA -0.147 4.193 4.340 0.000 0.000 0.242 113 R C 2.632 178.868 176.300 -0.106 0.000 1.142 113 R CA 2.023 58.072 56.100 -0.085 0.000 0.960 113 R CB -0.355 29.914 30.300 -0.052 0.000 0.858 113 R HN 0.812 nan 8.270 nan 0.000 0.439 114 R N 0.349 120.786 120.500 -0.105 0.000 2.075 114 R HA -0.102 4.238 4.340 0.000 0.000 0.232 114 R C 2.076 178.194 176.300 -0.303 0.000 1.126 114 R CA 1.504 57.542 56.100 -0.102 0.000 0.963 114 R CB -0.168 30.125 30.300 -0.013 0.000 0.858 114 R HN 0.237 nan 8.270 nan 0.000 0.435 115 A N 0.326 122.814 122.820 -0.553 0.000 1.873 115 A HA -0.064 4.256 4.320 0.000 0.000 0.215 115 A C 2.255 179.530 177.584 -0.516 0.000 1.186 115 A CA 1.390 52.764 52.037 -1.104 0.000 0.616 115 A CB -0.533 17.919 19.000 -0.914 0.000 0.823 115 A HN 0.210 nan 8.150 nan 0.000 0.442 116 V N 1.155 120.891 119.914 -0.297 0.000 2.343 116 V HA -0.259 3.861 4.120 0.000 0.000 0.247 116 V C 2.283 178.295 176.094 -0.136 0.000 1.051 116 V CA 2.140 64.328 62.300 -0.186 0.000 1.036 116 V CB -1.045 30.689 31.823 -0.148 0.000 0.654 116 V HN 0.536 nan 8.190 nan 0.000 0.451 117 N N -0.559 118.074 118.700 -0.112 0.000 2.120 117 N HA -0.188 4.552 4.740 0.000 0.000 0.188 117 N C 1.868 177.354 175.510 -0.040 0.000 1.024 117 N CA 1.595 54.608 53.050 -0.062 0.000 0.852 117 N CB -0.577 37.890 38.487 -0.032 0.000 1.003 117 N HN 0.639 nan 8.380 nan 0.000 0.424 118 H N 0.770 119.767 119.070 -0.122 0.000 2.326 118 H HA 0.052 4.608 4.556 0.000 0.000 0.301 118 H C 2.111 177.411 175.328 -0.047 0.000 1.081 118 H CA 1.049 57.058 56.048 -0.065 0.000 1.334 118 H CB -0.059 29.732 29.762 0.048 0.000 1.385 118 H HN 0.117 nan 8.280 nan 0.000 0.504 119 I N 0.710 121.257 120.570 -0.039 0.000 2.127 119 I HA -0.308 3.862 4.170 0.000 0.000 0.241 119 I C 2.912 178.992 176.117 -0.062 0.000 1.075 119 I CA 1.360 62.636 61.300 -0.041 0.000 1.334 119 I CB -0.252 37.724 38.000 -0.039 0.000 1.040 119 I HN 0.218 nan 8.210 nan 0.000 0.405 120 R N 0.030 120.484 120.500 -0.076 0.000 2.105 120 R HA -0.177 4.163 4.340 0.000 0.000 0.239 120 R C 2.537 178.835 176.300 -0.003 0.000 1.135 120 R CA 1.675 57.755 56.100 -0.033 0.000 0.967 120 R CB -0.472 29.793 30.300 -0.059 0.000 0.861 120 R HN 0.355 nan 8.270 nan 0.000 0.442 121 S N 0.328 115.971 115.700 -0.095 0.000 2.368 121 S HA -0.097 4.373 4.470 0.000 0.000 0.225 121 S C 2.041 176.550 174.600 -0.153 0.000 1.030 121 S CA 1.238 59.362 58.200 -0.126 0.000 0.999 121 S CB -0.104 62.985 63.200 -0.185 0.000 0.844 121 S HN 0.118 nan 8.310 nan 0.000 0.459 122 V N 1.280 121.049 119.914 -0.242 0.000 2.343 122 V HA -0.139 3.981 4.120 0.000 0.000 0.247 122 V C 2.104 178.180 176.094 -0.029 0.000 1.051 122 V CA 1.858 64.046 62.300 -0.186 0.000 1.036 122 V CB -0.949 30.752 31.823 -0.203 0.000 0.654 122 V HN 0.724 nan 8.190 nan 0.000 0.451 123 W N 1.211 122.424 121.300 -0.144 0.000 2.335 123 W HA -0.200 4.460 4.660 0.000 0.000 0.311 123 W C 2.291 178.756 176.519 -0.089 0.000 1.213 123 W CA 2.175 59.458 57.345 -0.103 0.000 1.274 123 W CB -0.056 29.350 29.460 -0.091 0.000 1.148 123 W HN 0.371 nan 8.180 nan 0.000 0.498 124 E N -0.088 120.157 120.200 0.075 0.000 2.152 124 E HA -0.233 4.117 4.350 0.000 0.000 0.192 124 E C 1.605 178.147 176.600 -0.097 0.000 0.983 124 E CA 1.519 57.911 56.400 -0.013 0.000 0.818 124 E CB -0.411 29.313 29.700 0.040 0.000 0.758 124 E HN 0.251 nan 8.360 nan 0.000 0.467 125 D N 0.709 121.049 120.400 -0.101 0.000 2.144 125 D HA -0.135 4.506 4.640 0.000 0.000 0.199 125 D C 1.846 178.048 176.300 -0.164 0.000 0.984 125 D CA 0.778 54.709 54.000 -0.115 0.000 0.834 125 D CB 0.057 40.794 40.800 -0.105 0.000 0.955 125 D HN 0.067 nan 8.370 nan 0.000 0.465 126 L N -0.093 120.988 121.223 -0.238 0.000 2.201 126 L HA -0.070 4.270 4.340 0.000 0.000 0.212 126 L C 2.294 178.961 176.870 -0.339 0.000 1.105 126 L CA 0.437 55.087 54.840 -0.315 0.000 0.775 126 L CB -0.198 41.597 42.059 -0.440 0.000 0.913 126 L HN 0.212 nan 8.230 nan 0.000 0.440 127 L N -0.963 120.048 121.223 -0.353 0.000 2.313 127 L HA -0.094 4.246 4.340 0.000 0.000 0.214 127 L C 2.234 179.009 176.870 -0.159 0.000 1.119 127 L CA 0.914 55.586 54.840 -0.280 0.000 0.809 127 L CB -0.071 41.838 42.059 -0.250 0.000 0.933 127 L HN 0.293 nan 8.230 nan 0.000 0.449 128 E N -1.395 118.727 120.200 -0.129 0.000 2.372 128 E HA -0.005 4.345 4.350 0.000 0.000 0.201 128 E C -0.017 176.547 176.600 -0.060 0.000 0.938 128 E CA 0.084 56.438 56.400 -0.075 0.000 0.944 128 E CB 0.643 30.310 29.700 -0.056 0.000 0.937 128 E HN 0.142 nan 8.360 nan 0.000 0.495 129 D N 0.740 121.089 120.400 -0.085 0.000 2.481 129 D HA 0.115 4.755 4.640 0.000 0.000 0.246 129 D C -0.087 176.128 176.300 -0.141 0.000 1.109 129 D CA -0.180 53.782 54.000 -0.064 0.000 0.845 129 D CB 1.294 42.065 40.800 -0.049 0.000 1.160 129 D HN -0.165 nan 8.370 nan 0.000 0.534 130 Q N 1.954 121.628 119.800 -0.210 0.000 2.219 130 Q HA 0.135 4.475 4.340 0.000 0.000 0.209 130 Q C 0.343 175.886 176.000 -0.763 0.000 0.854 130 Q CA 0.005 55.532 55.803 -0.461 0.000 0.960 130 Q CB 1.019 29.492 28.738 -0.441 0.000 1.116 130 Q HN 0.540 nan 8.270 nan 0.000 0.500 131 H N -1.557 117.482 119.070 -0.052 0.000 3.436 131 H HA 0.144 4.700 4.556 0.000 0.000 0.244 131 H C 0.180 175.486 175.328 -0.036 0.000 1.009 131 H CA 0.183 56.205 56.048 -0.044 0.000 1.129 131 H CB 0.853 30.604 29.762 -0.019 0.000 1.473 131 H HN -0.029 nan 8.280 nan 0.000 0.510 132 T N 5.616 120.202 114.554 0.053 0.000 2.799 132 T HA 0.148 4.498 4.350 0.000 0.000 0.296 132 T C -2.407 172.298 174.700 0.008 0.000 0.947 132 T CA -0.971 61.151 62.100 0.037 0.000 1.141 132 T CB 1.185 70.066 68.868 0.021 0.000 0.891 132 T HN 0.039 nan 8.240 nan 0.000 0.533 133 P HA 0.171 nan 4.420 nan 0.000 0.265 133 P C -0.300 176.993 177.300 -0.012 0.000 1.193 133 P CA -0.096 63.011 63.100 0.010 0.000 0.765 133 P CB 0.350 32.091 31.700 0.069 0.000 0.823 134 I N 2.367 122.913 120.570 -0.041 0.000 2.396 134 I HA 0.180 4.350 4.170 0.000 0.000 0.292 134 I C 0.897 176.992 176.117 -0.037 0.000 0.999 134 I CA -0.435 60.846 61.300 -0.031 0.000 1.310 134 I CB 0.942 38.916 38.000 -0.043 0.000 1.404 134 I HN 0.333 nan 8.210 nan 0.000 0.496 135 D N 4.027 124.419 120.400 -0.014 0.000 2.339 135 D HA 0.341 4.981 4.640 0.000 0.000 0.245 135 D C -0.419 175.848 176.300 -0.055 0.000 1.115 135 D CA 0.057 54.037 54.000 -0.033 0.000 0.917 135 D CB 0.952 41.746 40.800 -0.010 0.000 1.192 135 D HN 0.625 nan 8.370 nan 0.000 0.428 136 T N -1.198 113.300 114.554 -0.094 0.000 2.883 136 T HA 0.605 4.955 4.350 0.000 0.000 0.296 136 T C -0.532 174.048 174.700 -0.201 0.000 1.117 136 T CA -0.963 61.052 62.100 -0.142 0.000 1.006 136 T CB 1.442 70.243 68.868 -0.112 0.000 1.191 136 T HN 0.252 nan 8.240 nan 0.000 0.508 137 T N 1.901 116.223 114.554 -0.386 0.000 2.824 137 T HA 0.609 4.959 4.350 0.000 0.000 0.280 137 T C -0.426 174.090 174.700 -0.307 0.000 0.995 137 T CA -0.623 61.238 62.100 -0.398 0.000 1.009 137 T CB 0.865 69.344 68.868 -0.649 0.000 0.955 137 T HN 0.723 nan 8.240 nan 0.000 0.452 138 I N 3.946 124.454 120.570 -0.104 0.000 2.377 138 I HA 0.538 4.708 4.170 0.000 0.000 0.293 138 I C -1.027 175.126 176.117 0.061 0.000 0.987 138 I CA -0.812 60.498 61.300 0.017 0.000 1.185 138 I CB 0.724 38.770 38.000 0.076 0.000 1.341 138 I HN 0.403 nan 8.210 nan 0.000 0.455 139 M N 6.276 125.949 119.600 0.121 0.000 2.550 139 M HA 0.482 4.962 4.480 0.000 0.000 0.292 139 M C -0.632 175.731 176.300 0.105 0.000 1.221 139 M CA -0.591 54.785 55.300 0.126 0.000 0.873 139 M CB 1.812 34.529 32.600 0.195 0.000 1.727 139 M HN 0.587 nan 8.290 nan 0.000 0.459 140 A N 2.369 125.236 122.820 0.077 0.000 2.328 140 A HA 0.507 4.827 4.320 0.000 0.000 0.284 140 A C -0.030 177.595 177.584 0.068 0.000 1.160 140 A CA -0.470 51.606 52.037 0.065 0.000 0.818 140 A CB 0.284 19.312 19.000 0.047 0.000 1.087 140 A HN 0.746 nan 8.150 nan 0.000 0.504 141 K N 1.901 122.342 120.400 0.069 0.000 2.295 141 K HA 0.116 4.436 4.320 0.000 0.000 0.270 141 K C -0.661 175.959 176.600 0.033 0.000 1.011 141 K CA 0.063 56.379 56.287 0.049 0.000 0.953 141 K CB 0.556 33.086 32.500 0.050 0.000 0.956 141 K HN 0.763 nan 8.250 nan 0.000 0.477 142 N N 2.494 121.193 118.700 -0.002 0.000 2.485 142 N HA 0.114 4.854 4.740 0.000 0.000 0.243 142 N C -1.224 174.200 175.510 -0.143 0.000 0.987 142 N CA -0.343 52.679 53.050 -0.046 0.000 0.940 142 N CB 1.000 39.470 38.487 -0.028 0.000 1.122 142 N HN 0.393 nan 8.380 nan 0.000 0.509 143 E N 0.879 120.966 120.200 -0.188 0.000 2.288 143 E HA 0.439 4.789 4.350 0.000 0.000 0.268 143 E C -0.933 175.269 176.600 -0.663 0.000 0.885 143 E CA -0.997 55.172 56.400 -0.386 0.000 0.767 143 E CB 2.520 32.039 29.700 -0.302 0.000 1.220 143 E HN 0.090 nan 8.360 nan 0.000 0.427 144 V N 3.022 122.390 119.914 -0.909 0.000 2.439 144 V HA 0.459 4.579 4.120 0.000 0.000 0.282 144 V C -0.785 174.590 176.094 -1.200 0.000 1.039 144 V CA -0.232 61.493 62.300 -0.958 0.000 0.913 144 V CB 0.105 31.416 31.823 -0.852 0.000 0.983 144 V HN 0.501 nan 8.190 nan 0.000 0.460 145 F N 2.145 121.732 119.950 -0.605 0.000 2.650 145 F HA 0.589 5.116 4.527 0.000 0.000 0.320 145 F C 0.115 175.731 175.800 -0.307 0.000 1.091 145 F CA -0.775 56.958 58.000 -0.446 0.000 0.962 145 F CB 1.276 40.004 39.000 -0.453 0.000 1.363 145 F HN 0.469 nan 8.300 nan 0.000 0.482 146 C N 2.533 121.932 119.300 0.165 0.000 2.350 146 C HA 0.649 5.109 4.460 0.000 0.000 0.348 146 C C 0.355 175.551 174.990 0.343 0.000 1.260 146 C CA -0.781 58.371 59.018 0.222 0.000 1.966 146 C CB -0.607 27.219 27.740 0.144 0.000 2.380 146 C HN 0.565 nan 8.230 nan 0.000 0.535 147 I N 5.113 125.900 120.570 0.362 0.000 2.710 147 I HA 0.140 4.310 4.170 0.000 0.000 0.286 147 I C 0.338 176.531 176.117 0.126 0.000 1.181 147 I CA 0.980 62.421 61.300 0.236 0.000 1.430 147 I CB 0.318 38.382 38.000 0.106 0.000 1.367 147 I HN 0.728 nan 8.210 nan 0.000 0.577 155 K N 2.324 122.713 120.400 -0.019 0.000 2.237 155 K HA 0.277 4.597 4.320 0.000 0.000 0.270 155 K C -2.285 174.330 176.600 0.025 0.000 1.015 155 K CA -1.572 54.684 56.287 -0.051 0.000 0.949 155 K CB 0.215 32.576 32.500 -0.232 0.000 0.976 155 K HN 0.231 nan 8.250 nan 0.000 0.472 156 P HA 0.068 nan 4.420 nan 0.000 0.274 156 P C -1.076 176.262 177.300 0.063 0.000 1.246 156 P CA -0.569 62.549 63.100 0.029 0.000 0.795 156 P CB 0.585 32.286 31.700 0.002 0.000 1.006 157 A N 2.005 124.869 122.820 0.073 0.000 2.462 157 A HA 0.135 4.455 4.320 0.000 0.000 0.243 157 A C 0.533 178.163 177.584 0.078 0.000 1.076 157 A CA -0.125 51.968 52.037 0.092 0.000 0.773 157 A CB -0.292 18.751 19.000 0.072 0.000 1.010 157 A HN 0.416 nan 8.150 nan 0.000 0.493 158 R N 0.501 121.061 120.500 0.101 0.000 2.641 158 R HA 0.304 4.644 4.340 0.000 0.000 0.269 158 R C -0.878 175.475 176.300 0.089 0.000 1.074 158 R CA -0.552 55.606 56.100 0.098 0.000 1.133 158 R CB 0.270 30.641 30.300 0.118 0.000 1.029 158 R HN 0.474 nan 8.270 nan 0.000 0.488 159 L N 2.880 124.158 121.223 0.091 0.000 2.322 159 L HA 0.499 4.840 4.340 0.000 0.000 0.279 159 L C -0.099 176.848 176.870 0.128 0.000 1.036 159 L CA -0.488 54.409 54.840 0.094 0.000 0.807 159 L CB 1.252 43.352 42.059 0.068 0.000 1.226 159 L HN 0.541 nan 8.230 nan 0.000 0.433 160 I N 2.176 122.836 120.570 0.151 0.000 2.545 160 I HA 0.617 4.787 4.170 0.000 0.000 0.292 160 I C -1.197 175.068 176.117 0.248 0.000 1.040 160 I CA -0.450 60.969 61.300 0.198 0.000 1.068 160 I CB 1.964 40.078 38.000 0.190 0.000 1.251 160 I HN 0.218 nan 8.210 nan 0.000 0.424 161 V N 8.327 128.389 119.914 0.246 0.000 2.444 161 V HA 0.523 4.643 4.120 0.000 0.000 0.294 161 V C -1.235 174.997 176.094 0.230 0.000 1.022 161 V CA -0.491 61.909 62.300 0.166 0.000 0.850 161 V CB 1.150 33.056 31.823 0.140 0.000 0.992 161 V HN 0.667 nan 8.190 nan 0.000 0.426 162 Y N 4.680 125.020 120.300 0.068 0.000 2.544 162 Y HA 0.904 5.454 4.550 0.000 0.000 0.342 162 Y C -3.121 172.818 175.900 0.064 0.000 1.062 162 Y CA -2.795 55.349 58.100 0.072 0.000 1.023 162 Y CB 1.989 40.489 38.460 0.067 0.000 1.308 162 Y HN 0.422 nan 8.280 nan 0.000 0.457 163 P HA 0.171 nan 4.420 nan 0.000 0.284 163 P C -0.918 176.492 177.300 0.184 0.000 1.292 163 P CA -0.215 62.943 63.100 0.095 0.000 0.800 163 P CB 1.331 33.099 31.700 0.112 0.000 1.188 164 D N -0.992 119.497 120.400 0.147 0.000 2.400 164 D HA -0.048 4.592 4.640 0.000 0.000 0.238 164 D C 1.340 177.756 176.300 0.194 0.000 1.157 164 D CA -0.273 53.834 54.000 0.178 0.000 0.889 164 D CB 0.283 41.217 40.800 0.224 0.000 1.199 164 D HN 0.108 nan 8.370 nan 0.000 0.436 165 L N 3.341 124.658 121.223 0.156 0.000 2.043 165 L HA -0.005 4.335 4.340 0.000 0.000 0.212 165 L C 2.053 179.055 176.870 0.220 0.000 1.075 165 L CA 2.559 57.489 54.840 0.150 0.000 0.752 165 L CB -1.096 41.009 42.059 0.078 0.000 0.891 165 L HN 0.668 nan 8.230 nan 0.000 0.432 166 G N -1.045 107.941 108.800 0.311 0.000 2.476 166 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 166 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 166 G C 1.534 176.561 174.900 0.213 0.000 1.164 166 G CA 1.239 46.568 45.100 0.382 0.000 0.768 166 G HN 0.364 nan 8.290 nan 0.000 0.560 167 V N 0.945 120.967 119.914 0.180 0.000 2.295 167 V HA -0.197 3.923 4.120 0.000 0.000 0.246 167 V C 2.929 179.104 176.094 0.136 0.000 1.049 167 V CA 2.075 64.450 62.300 0.126 0.000 1.024 167 V CB -0.523 31.363 31.823 0.104 0.000 0.648 167 V HN 0.349 nan 8.190 nan 0.000 0.447 168 R N -0.249 120.342 120.500 0.153 0.000 2.117 168 R HA -0.147 4.193 4.340 0.000 0.000 0.243 168 R C 2.183 178.534 176.300 0.086 0.000 1.143 168 R CA 1.568 57.753 56.100 0.142 0.000 0.968 168 R CB -0.686 29.699 30.300 0.142 0.000 0.863 168 R HN 0.441 nan 8.270 nan 0.000 0.444 169 V N 0.248 120.210 119.914 0.079 0.000 2.453 169 V HA -0.239 3.881 4.120 0.000 0.000 0.247 169 V C 2.506 178.608 176.094 0.013 0.000 1.048 169 V CA 1.371 63.682 62.300 0.018 0.000 1.049 169 V CB -0.374 31.464 31.823 0.025 0.000 0.672 169 V HN 0.434 nan 8.190 nan 0.000 0.457 170 C N 0.001 119.362 119.300 0.101 0.000 2.429 170 C HA -0.160 4.300 4.460 0.000 0.000 0.277 170 C C 2.672 177.791 174.990 0.216 0.000 1.262 170 C CA 1.007 60.166 59.018 0.235 0.000 1.733 170 C CB -0.963 26.955 27.740 0.297 0.000 2.010 170 C HN 0.618 nan 8.230 nan 0.000 0.483 171 E N 0.754 121.028 120.200 0.125 0.000 2.058 171 E HA -0.234 4.116 4.350 0.000 0.000 0.194 171 E C 2.175 178.720 176.600 -0.092 0.000 0.997 171 E CA 1.283 57.752 56.400 0.114 0.000 0.801 171 E CB -0.141 29.688 29.700 0.215 0.000 0.746 171 E HN 0.640 nan 8.360 nan 0.000 0.450 172 K N 0.337 120.569 120.400 -0.280 0.000 2.032 172 K HA -0.139 4.181 4.320 0.000 0.000 0.209 172 K C 2.203 178.668 176.600 -0.225 0.000 1.048 172 K CA 1.548 57.541 56.287 -0.491 0.000 0.927 172 K CB -0.184 32.062 32.500 -0.422 0.000 0.712 172 K HN 0.114 nan 8.250 nan 0.000 0.441 173 M N 0.429 119.953 119.600 -0.127 0.000 2.144 173 M HA -0.219 4.261 4.480 0.000 0.000 0.260 173 M C 2.377 178.690 176.300 0.021 0.000 1.067 173 M CA 1.867 57.089 55.300 -0.129 0.000 1.095 173 M CB -0.369 32.022 32.600 -0.348 0.000 1.365 173 M HN 0.251 nan 8.290 nan 0.000 0.406 174 A N -0.617 122.307 122.820 0.173 0.000 1.935 174 A HA 0.096 4.416 4.320 0.000 0.000 0.214 174 A C 1.860 179.499 177.584 0.092 0.000 1.178 174 A CA 1.054 53.229 52.037 0.231 0.000 0.640 174 A CB -0.151 18.995 19.000 0.244 0.000 0.825 174 A HN 0.478 nan 8.150 nan 0.000 0.447 175 L N -3.010 118.234 121.223 0.035 0.000 2.920 175 L HA 0.208 4.548 4.340 0.000 0.000 0.257 175 L C 1.846 178.779 176.870 0.104 0.000 1.150 175 L CA 0.051 54.912 54.840 0.036 0.000 0.959 175 L CB 0.063 42.177 42.059 0.092 0.000 1.321 175 L HN 0.455 nan 8.230 nan 0.000 0.555 176 Y N 1.307 121.531 120.300 -0.126 0.000 2.181 176 Y HA -0.305 4.245 4.550 0.000 0.000 0.288 176 Y C 2.169 178.100 175.900 0.051 0.000 1.146 176 Y CA 2.213 60.287 58.100 -0.044 0.000 1.164 176 Y CB 0.107 38.460 38.460 -0.179 0.000 0.982 176 Y HN 0.229 nan 8.280 nan 0.000 0.515 177 D N -0.246 120.199 120.400 0.074 0.000 2.178 177 D HA -0.159 4.481 4.640 0.000 0.000 0.202 177 D C 2.082 178.350 176.300 -0.053 0.000 0.974 177 D CA 1.396 55.394 54.000 -0.004 0.000 0.841 177 D CB -0.267 40.568 40.800 0.059 0.000 0.953 177 D HN 0.485 nan 8.370 nan 0.000 0.478 178 I N 0.403 120.956 120.570 -0.027 0.000 2.179 178 I HA -0.270 3.900 4.170 0.000 0.000 0.242 178 I C 2.415 178.494 176.117 -0.062 0.000 1.088 178 I CA 1.188 62.468 61.300 -0.033 0.000 1.357 178 I CB -0.285 37.687 38.000 -0.046 0.000 1.051 178 I HN 0.025 nan 8.210 nan 0.000 0.409 179 A N -0.001 122.782 122.820 -0.062 0.000 1.972 179 A HA -0.251 4.069 4.320 0.000 0.000 0.219 179 A C 2.201 179.688 177.584 -0.161 0.000 1.169 179 A CA 1.493 53.478 52.037 -0.086 0.000 0.635 179 A CB -0.579 18.426 19.000 0.008 0.000 0.810 179 A HN 0.530 nan 8.150 nan 0.000 0.446 180 Q N -1.036 118.617 119.800 -0.245 0.000 2.369 180 Q HA -0.087 4.253 4.340 0.000 0.000 0.206 180 Q C 1.476 177.409 176.000 -0.112 0.000 0.963 180 Q CA 1.414 57.095 55.803 -0.203 0.000 0.894 180 Q CB -0.010 28.594 28.738 -0.225 0.000 0.965 180 Q HN 0.686 nan 8.270 nan 0.000 0.475 181 K N -0.762 119.573 120.400 -0.109 0.000 2.443 181 K HA 0.170 4.490 4.320 0.000 0.000 0.200 181 K C 1.713 178.245 176.600 -0.113 0.000 1.278 181 K CA -0.196 56.038 56.287 -0.088 0.000 0.925 181 K CB 0.315 32.781 32.500 -0.056 0.000 1.225 181 K HN -0.012 nan 8.250 nan 0.000 0.514 182 L N 2.093 123.248 121.223 -0.114 0.000 2.005 182 L HA -0.052 4.288 4.340 0.000 0.000 0.207 182 L C -1.017 175.718 176.870 -0.225 0.000 1.072 182 L CA 1.667 56.440 54.840 -0.111 0.000 0.744 182 L CB -0.745 41.296 42.059 -0.030 0.000 0.895 182 L HN 0.025 nan 8.230 nan 0.000 0.433 183 P HA -0.214 nan 4.420 nan 0.000 0.216 183 P C 1.246 178.179 177.300 -0.611 0.000 1.153 183 P CA 1.444 64.129 63.100 -0.691 0.000 0.858 183 P CB 0.007 30.819 31.700 -1.479 0.000 0.789 184 K N 0.221 120.354 120.400 -0.444 0.000 2.097 184 K HA -0.028 4.292 4.320 0.000 0.000 0.205 184 K C 1.946 178.453 176.600 -0.155 0.000 1.050 184 K CA 1.528 57.691 56.287 -0.206 0.000 0.938 184 K CB -1.191 31.256 32.500 -0.089 0.000 0.718 184 K HN -0.045 nan 8.250 nan 0.000 0.442 185 A N 0.923 123.655 122.820 -0.148 0.000 1.969 185 A HA -0.043 4.277 4.320 0.000 0.000 0.218 185 A C 2.094 179.613 177.584 -0.109 0.000 1.169 185 A CA 1.603 53.580 52.037 -0.100 0.000 0.635 185 A CB -0.757 18.197 19.000 -0.077 0.000 0.810 185 A HN 0.538 nan 8.150 nan 0.000 0.445 186 I N -5.806 114.664 120.570 -0.167 0.000 3.265 186 I HA 0.195 4.365 4.170 0.000 0.000 0.282 186 I C 1.935 177.895 176.117 -0.261 0.000 1.207 186 I CA 0.837 62.034 61.300 -0.171 0.000 1.449 186 I CB -0.003 37.898 38.000 -0.164 0.000 1.121 186 I HN 0.137 nan 8.210 nan 0.000 0.442 187 M N 1.005 120.391 119.600 -0.356 0.000 2.379 187 M HA 0.372 4.852 4.480 0.000 0.000 0.265 187 M C 1.441 177.642 176.300 -0.165 0.000 1.095 187 M CA 0.640 55.653 55.300 -0.478 0.000 1.075 187 M CB 0.778 33.007 32.600 -0.618 0.000 1.443 187 M HN 0.486 nan 8.290 nan 0.000 0.519 188 G N 1.957 110.691 108.800 -0.110 0.000 2.596 188 G HA2 -0.292 3.668 3.960 0.000 0.000 0.295 188 G HA3 -0.292 3.668 3.960 0.000 0.000 0.295 188 G C -2.020 172.868 174.900 -0.021 0.000 1.240 188 G CA 0.130 45.210 45.100 -0.034 0.000 0.985 188 G HN 0.219 nan 8.290 nan 0.000 0.555 189 P HA 0.066 nan 4.420 nan 0.000 0.221 189 P C 1.839 179.023 177.300 -0.194 0.000 1.145 189 P CA 1.915 65.017 63.100 0.004 0.000 0.795 189 P CB -0.183 31.639 31.700 0.203 0.000 0.775 190 S N -2.171 113.513 115.700 -0.026 0.000 2.507 190 S HA -0.124 4.346 4.470 0.000 0.000 0.235 190 S C 0.612 175.198 174.600 -0.022 0.000 0.988 190 S CA 0.205 58.412 58.200 0.012 0.000 0.944 190 S CB -0.916 62.409 63.200 0.210 0.000 0.762 190 S HN 0.176 nan 8.310 nan 0.000 0.526 191 Y N 2.745 122.908 120.300 -0.228 0.000 2.486 191 Y HA 0.501 5.051 4.550 0.000 0.000 0.348 191 Y C 1.186 176.902 175.900 -0.307 0.000 1.000 191 Y CA -1.483 56.477 58.100 -0.234 0.000 1.253 191 Y CB 0.120 38.450 38.460 -0.217 0.000 1.140 191 Y HN 0.018 nan 8.280 nan 0.000 0.526 192 G N 4.467 112.888 108.800 -0.631 0.000 2.421 192 G HA2 -0.236 3.724 3.960 0.000 0.000 0.217 192 G HA3 -0.236 3.724 3.960 0.000 0.000 0.217 192 G C 1.051 175.564 174.900 -0.645 0.000 1.143 192 G CA 0.221 44.982 45.100 -0.565 0.000 0.784 192 G HN 0.638 nan 8.290 nan 0.000 0.541 193 F N 1.561 121.035 119.950 -0.792 0.000 2.604 193 F HA 0.005 4.532 4.527 0.000 0.000 0.298 193 F C 2.898 178.568 175.800 -0.217 0.000 1.131 193 F CA 0.858 58.635 58.000 -0.372 0.000 1.457 193 F CB -0.228 38.551 39.000 -0.368 0.000 1.095 193 F HN 0.374 nan 8.300 nan 0.000 0.574 194 Q N -0.619 118.962 119.800 -0.366 0.000 2.437 194 Q HA -0.151 4.189 4.340 0.000 0.000 0.210 194 Q C -0.491 175.385 176.000 -0.207 0.000 0.972 194 Q CA 0.999 56.656 55.803 -0.242 0.000 0.903 194 Q CB -0.453 28.043 28.738 -0.404 0.000 0.967 194 Q HN 0.287 nan 8.270 nan 0.000 0.486 195 Y N 1.816 122.129 120.300 0.021 0.000 2.342 195 Y HA 0.293 4.843 4.550 0.000 0.000 0.334 195 Y C 0.585 176.331 175.900 -0.256 0.000 1.067 195 Y CA -1.360 56.694 58.100 -0.075 0.000 1.128 195 Y CB 1.512 39.911 38.460 -0.102 0.000 1.200 195 Y HN 0.103 nan 8.280 nan 0.000 0.464 196 S N 2.696 118.154 115.700 -0.402 0.000 2.608 196 S HA 0.195 4.665 4.470 0.000 0.000 0.261 196 S C -1.958 172.403 174.600 -0.397 0.000 1.314 196 S CA -1.010 56.527 58.200 -1.106 0.000 0.992 196 S CB 1.056 63.764 63.200 -0.820 0.000 0.935 196 S HN 0.433 nan 8.310 nan 0.000 0.564 197 P HA -0.148 nan 4.420 nan 0.000 0.216 197 P C 1.564 178.861 177.300 -0.005 0.000 1.157 197 P CA 2.215 65.306 63.100 -0.015 0.000 0.880 197 P CB -0.324 31.433 31.700 0.094 0.000 0.791 198 A N -0.330 122.463 122.820 -0.045 0.000 1.930 198 A HA -0.214 4.106 4.320 0.000 0.000 0.217 198 A C 2.125 179.682 177.584 -0.044 0.000 1.175 198 A CA 1.591 53.629 52.037 0.001 0.000 0.627 198 A CB -1.137 17.853 19.000 -0.017 0.000 0.815 198 A HN 0.204 nan 8.150 nan 0.000 0.443 199 E N -0.461 119.693 120.200 -0.078 0.000 2.150 199 E HA -0.145 4.205 4.350 0.000 0.000 0.193 199 E C 2.281 178.708 176.600 -0.289 0.000 0.985 199 E CA 0.781 57.123 56.400 -0.097 0.000 0.814 199 E CB -0.140 29.598 29.700 0.064 0.000 0.752 199 E HN 0.519 nan 8.360 nan 0.000 0.466 200 R N 0.465 120.838 120.500 -0.212 0.000 2.081 200 R HA -0.109 4.231 4.340 0.000 0.000 0.235 200 R C 2.456 178.675 176.300 -0.136 0.000 1.131 200 R CA 1.122 57.077 56.100 -0.240 0.000 0.960 200 R CB -0.476 29.787 30.300 -0.062 0.000 0.856 200 R HN 0.065 nan 8.270 nan 0.000 0.436 201 V N 1.628 121.494 119.914 -0.080 0.000 2.282 201 V HA -0.291 3.829 4.120 0.000 0.000 0.249 201 V C 1.968 177.996 176.094 -0.110 0.000 1.057 201 V CA 2.304 64.561 62.300 -0.071 0.000 1.032 201 V CB -0.547 31.272 31.823 -0.006 0.000 0.645 201 V HN 0.348 nan 8.190 nan 0.000 0.447 202 D N -0.842 119.499 120.400 -0.099 0.000 2.117 202 D HA -0.207 4.433 4.640 0.000 0.000 0.198 202 D C 1.940 178.179 176.300 -0.101 0.000 0.982 202 D CA 1.131 55.073 54.000 -0.096 0.000 0.828 202 D CB -0.206 40.559 40.800 -0.059 0.000 0.967 202 D HN 0.325 nan 8.370 nan 0.000 0.464 203 F N 0.972 120.738 119.950 -0.307 0.000 2.065 203 F HA -0.143 4.384 4.527 0.000 0.000 0.298 203 F C 1.967 177.658 175.800 -0.180 0.000 1.112 203 F CA 1.455 59.279 58.000 -0.294 0.000 1.212 203 F CB -0.550 38.132 39.000 -0.531 0.000 0.975 203 F HN 0.015 nan 8.300 nan 0.000 0.476 204 L N -0.432 120.650 121.223 -0.235 0.000 2.046 204 L HA -0.250 4.090 4.340 0.000 0.000 0.208 204 L C 2.543 179.273 176.870 -0.232 0.000 1.077 204 L CA 1.186 55.866 54.840 -0.266 0.000 0.747 204 L CB -0.762 41.212 42.059 -0.142 0.000 0.896 204 L HN 0.233 nan 8.230 nan 0.000 0.432 205 L N -0.522 120.561 121.223 -0.233 0.000 2.093 205 L HA -0.202 4.138 4.340 0.000 0.000 0.208 205 L C 2.628 179.405 176.870 -0.155 0.000 1.085 205 L CA 1.319 56.024 54.840 -0.226 0.000 0.755 205 L CB -0.356 41.494 42.059 -0.348 0.000 0.904 205 L HN 0.202 nan 8.230 nan 0.000 0.435 206 K N -0.085 120.199 120.400 -0.194 0.000 2.057 206 K HA -0.119 4.201 4.320 0.000 0.000 0.206 206 K C 2.251 178.727 176.600 -0.206 0.000 1.050 206 K CA 1.279 57.462 56.287 -0.173 0.000 0.935 206 K CB -0.261 32.146 32.500 -0.155 0.000 0.715 206 K HN 0.262 nan 8.250 nan 0.000 0.439 207 A N 1.522 124.134 122.820 -0.348 0.000 1.883 207 A HA -0.206 4.114 4.320 0.000 0.000 0.217 207 A C 1.953 179.456 177.584 -0.135 0.000 1.186 207 A CA 1.214 53.058 52.037 -0.322 0.000 0.624 207 A CB -0.957 17.743 19.000 -0.500 0.000 0.822 207 A HN 0.583 nan 8.150 nan 0.000 0.444 208 W N 0.572 121.720 121.300 -0.254 0.000 2.355 208 W HA -0.132 4.528 4.660 0.000 0.000 0.309 208 W C 2.133 178.568 176.519 -0.139 0.000 1.206 208 W CA 1.711 58.949 57.345 -0.179 0.000 1.284 208 W CB -0.545 28.807 29.460 -0.180 0.000 1.145 208 W HN 0.381 nan 8.180 nan 0.000 0.502 209 G N 0.041 108.846 108.800 0.009 0.000 2.498 209 G HA2 -0.277 3.683 3.960 0.000 0.000 0.219 209 G HA3 -0.277 3.683 3.960 0.000 0.000 0.219 209 G C 1.536 176.372 174.900 -0.107 0.000 1.119 209 G CA 1.273 46.341 45.100 -0.054 0.000 0.766 209 G HN 0.350 nan 8.290 nan 0.000 0.552 210 S N -0.564 115.060 115.700 -0.126 0.000 2.522 210 S HA 0.192 4.662 4.470 0.000 0.000 0.227 210 S C 0.836 175.356 174.600 -0.133 0.000 0.986 210 S CA 0.130 58.262 58.200 -0.114 0.000 0.929 210 S CB 0.176 63.312 63.200 -0.106 0.000 0.769 210 S HN 0.033 nan 8.310 nan 0.000 0.529 211 K N 1.804 122.086 120.400 -0.197 0.000 2.138 211 K HA 0.352 4.673 4.320 0.000 0.000 0.263 211 K C 0.677 177.156 176.600 -0.202 0.000 0.965 211 K CA -0.505 55.654 56.287 -0.214 0.000 0.868 211 K CB 1.611 33.923 32.500 -0.315 0.000 1.083 211 K HN 0.124 nan 8.250 nan 0.000 0.443 212 K N 1.231 121.543 120.400 -0.146 0.000 2.009 212 K HA -0.114 4.206 4.320 0.000 0.000 0.210 212 K C -0.396 176.116 176.600 -0.147 0.000 1.049 212 K CA 1.554 57.768 56.287 -0.122 0.000 0.929 212 K CB 0.308 32.758 32.500 -0.084 0.000 0.714 212 K HN 0.501 nan 8.250 nan 0.000 0.440 213 D N 1.718 122.021 120.400 -0.161 0.000 2.412 213 D HA 0.207 4.847 4.640 0.000 0.000 0.276 213 D C -2.610 173.558 176.300 -0.220 0.000 1.196 213 D CA -1.388 52.521 54.000 -0.152 0.000 0.905 213 D CB 1.573 42.321 40.800 -0.087 0.000 1.081 213 D HN 0.176 nan 8.370 nan 0.000 0.502 214 P HA 0.078 nan 4.420 nan 0.000 0.268 214 P C -0.135 176.867 177.300 -0.496 0.000 1.205 214 P CA -0.314 62.316 63.100 -0.783 0.000 0.771 214 P CB 1.243 31.782 31.700 -1.937 0.000 0.858 215 M N 2.310 121.719 119.600 -0.317 0.000 2.393 215 M HA 0.622 5.102 4.480 0.000 0.000 0.299 215 M C -0.990 175.314 176.300 0.006 0.000 1.103 215 M CA -0.341 54.880 55.300 -0.132 0.000 0.910 215 M CB 2.506 35.083 32.600 -0.038 0.000 1.659 215 M HN 0.526 nan 8.290 nan 0.000 0.445 216 G N 3.823 112.708 108.800 0.143 0.000 2.563 216 G HA2 0.826 4.786 3.960 0.000 0.000 0.302 216 G HA3 0.826 4.786 3.960 0.000 0.000 0.302 216 G C -1.878 173.088 174.900 0.111 0.000 1.301 216 G CA -0.581 44.607 45.100 0.146 0.000 0.965 216 G HN 0.785 nan 8.290 nan 0.000 0.480 217 F N -0.028 119.876 119.950 -0.076 0.000 2.654 217 F HA 0.809 5.336 4.527 0.000 0.000 0.308 217 F C -0.309 175.459 175.800 -0.054 0.000 1.108 217 F CA -1.358 56.589 58.000 -0.089 0.000 0.957 217 F CB 1.627 40.551 39.000 -0.126 0.000 1.309 217 F HN 0.654 nan 8.300 nan 0.000 0.446 218 S N 1.622 117.367 115.700 0.076 0.000 2.593 218 S HA 0.690 5.160 4.470 0.000 0.000 0.297 218 S C -1.711 173.052 174.600 0.271 0.000 1.112 218 S CA -0.585 57.642 58.200 0.045 0.000 1.043 218 S CB 1.730 64.936 63.200 0.010 0.000 1.054 218 S HN 0.938 nan 8.310 nan 0.000 0.516 219 Y N 1.414 121.796 120.300 0.137 0.000 2.331 219 Y HA 0.490 5.040 4.550 0.000 0.000 0.334 219 Y C -1.159 174.851 175.900 0.183 0.000 0.960 219 Y CA -0.801 57.450 58.100 0.252 0.000 1.130 219 Y CB 1.612 40.324 38.460 0.420 0.000 1.164 219 Y HN 0.858 nan 8.280 nan 0.000 0.458 220 D N 4.574 124.757 120.400 -0.362 0.000 2.454 220 D HA 0.225 4.865 4.640 0.000 0.000 0.225 220 D C -0.809 175.319 176.300 -0.287 0.000 1.081 220 D CA -0.097 53.785 54.000 -0.196 0.000 0.864 220 D CB 0.906 41.625 40.800 -0.135 0.000 1.040 220 D HN 0.497 nan 8.370 nan 0.000 0.517 221 T N 3.403 117.964 114.554 0.012 0.000 2.884 221 T HA 0.149 4.499 4.350 0.000 0.000 0.298 221 T C 0.515 175.299 174.700 0.141 0.000 0.998 221 T CA -0.425 61.780 62.100 0.175 0.000 1.124 221 T CB 0.710 69.910 68.868 0.552 0.000 0.931 221 T HN 0.284 nan 8.240 nan 0.000 0.531 222 R N 2.118 122.670 120.500 0.086 0.000 2.351 222 R HA 0.196 4.536 4.340 0.000 0.000 0.318 222 R C -0.223 176.176 176.300 0.165 0.000 1.055 222 R CA -0.291 55.852 56.100 0.072 0.000 0.968 222 R CB -0.645 29.643 30.300 -0.020 0.000 0.974 222 R HN 0.937 nan 8.270 nan 0.000 0.439 223 C N 5.446 124.872 119.300 0.210 0.000 3.896 223 C HA -0.158 4.302 4.460 0.000 0.000 0.300 223 C C 1.291 176.481 174.990 0.333 0.000 1.322 223 C CA 0.112 59.303 59.018 0.289 0.000 2.130 223 C CB -3.071 24.897 27.740 0.379 0.000 1.363 223 C HN 1.034 nan 8.230 nan 0.000 0.642 224 F N 1.898 121.960 119.950 0.188 0.000 2.087 224 F HA -0.205 4.322 4.527 0.000 0.000 0.299 224 F C 1.946 177.850 175.800 0.175 0.000 1.100 224 F CA 2.474 60.585 58.000 0.185 0.000 1.226 224 F CB 0.021 39.120 39.000 0.166 0.000 0.983 224 F HN 0.462 nan 8.300 nan 0.000 0.479 225 D N -0.529 120.077 120.400 0.342 0.000 2.149 225 D HA -0.157 4.483 4.640 0.000 0.000 0.198 225 D C 2.455 178.798 176.300 0.072 0.000 0.990 225 D CA 1.603 55.733 54.000 0.216 0.000 0.839 225 D CB -0.504 40.434 40.800 0.231 0.000 0.948 225 D HN 0.244 nan 8.370 nan 0.000 0.460 226 S N -0.474 115.293 115.700 0.113 0.000 2.453 226 S HA -0.104 4.366 4.470 0.000 0.000 0.231 226 S C 2.040 176.582 174.600 -0.096 0.000 1.005 226 S CA 1.374 59.553 58.200 -0.035 0.000 0.949 226 S CB -0.219 62.989 63.200 0.015 0.000 0.774 226 S HN 0.530 nan 8.310 nan 0.000 0.510 227 T N -0.356 114.222 114.554 0.040 0.000 3.055 227 T HA 0.109 4.459 4.350 0.000 0.000 0.265 227 T C 0.598 175.209 174.700 -0.148 0.000 1.111 227 T CA 0.087 62.195 62.100 0.013 0.000 1.118 227 T CB -0.400 68.457 68.868 -0.019 0.000 0.909 227 T HN 0.036 nan 8.240 nan 0.000 0.501 228 V N 4.064 123.851 119.914 -0.212 0.000 2.470 228 V HA 0.313 4.433 4.120 0.000 0.000 0.276 228 V C 1.194 177.222 176.094 -0.111 0.000 1.040 228 V CA -0.381 61.815 62.300 -0.174 0.000 1.008 228 V CB 0.185 31.938 31.823 -0.118 0.000 0.990 228 V HN 0.705 nan 8.190 nan 0.000 0.477 229 T N 1.277 115.782 114.554 -0.082 0.000 2.824 229 T HA 0.306 4.656 4.350 0.000 0.000 0.277 229 T C 0.958 175.631 174.700 -0.044 0.000 0.975 229 T CA -0.523 61.537 62.100 -0.066 0.000 0.966 229 T CB 1.148 69.984 68.868 -0.052 0.000 1.054 229 T HN 0.641 nan 8.240 nan 0.000 0.533 230 E N -0.304 119.874 120.200 -0.038 0.000 2.106 230 E HA -0.094 4.256 4.350 0.000 0.000 0.192 230 E C 2.351 178.949 176.600 -0.002 0.000 0.984 230 E CA 0.623 57.014 56.400 -0.015 0.000 0.806 230 E CB -0.074 29.619 29.700 -0.012 0.000 0.750 230 E HN 0.610 nan 8.360 nan 0.000 0.458 231 R N 1.028 121.522 120.500 -0.011 0.000 2.075 231 R HA -0.167 4.173 4.340 0.000 0.000 0.232 231 R C 1.482 177.785 176.300 0.005 0.000 1.126 231 R CA 1.663 57.760 56.100 -0.005 0.000 0.963 231 R CB 0.026 30.313 30.300 -0.022 0.000 0.858 231 R HN 0.073 nan 8.270 nan 0.000 0.435 232 D N 0.542 120.941 120.400 -0.002 0.000 2.116 232 D HA -0.191 4.449 4.640 0.000 0.000 0.193 232 D C 1.885 178.197 176.300 0.021 0.000 0.998 232 D CA 1.468 55.479 54.000 0.019 0.000 0.836 232 D CB -0.139 40.664 40.800 0.005 0.000 0.951 232 D HN 0.334 nan 8.370 nan 0.000 0.449 233 I N 0.464 121.047 120.570 0.021 0.000 2.252 233 I HA -0.189 3.981 4.170 0.000 0.000 0.245 233 I C 2.454 178.598 176.117 0.044 0.000 1.102 233 I CA 0.895 62.219 61.300 0.041 0.000 1.385 233 I CB -0.026 38.011 38.000 0.061 0.000 1.064 233 I HN -0.109 nan 8.210 nan 0.000 0.414 234 R N -0.216 120.307 120.500 0.038 0.000 2.148 234 R HA -0.083 4.257 4.340 0.000 0.000 0.227 234 R C 2.236 178.547 176.300 0.018 0.000 1.103 234 R CA 1.552 57.678 56.100 0.043 0.000 0.983 234 R CB -0.490 29.838 30.300 0.046 0.000 0.874 234 R HN 0.309 nan 8.270 nan 0.000 0.451 235 T N 0.951 115.509 114.554 0.007 0.000 2.777 235 T HA -0.130 4.220 4.350 0.000 0.000 0.266 235 T C 1.465 176.108 174.700 -0.095 0.000 1.040 235 T CA 1.277 63.371 62.100 -0.009 0.000 1.141 235 T CB -0.058 68.835 68.868 0.042 0.000 0.868 235 T HN 0.353 nan 8.240 nan 0.000 0.444 236 E N 0.752 120.867 120.200 -0.141 0.000 2.085 236 E HA -0.175 4.175 4.350 0.000 0.000 0.194 236 E C 2.311 178.514 176.600 -0.662 0.000 0.994 236 E CA 1.016 57.186 56.400 -0.383 0.000 0.801 236 E CB -0.096 29.426 29.700 -0.297 0.000 0.743 236 E HN 0.522 nan 8.360 nan 0.000 0.453 237 E N 0.515 120.552 120.200 -0.271 0.000 2.085 237 E HA -0.216 4.134 4.350 0.000 0.000 0.194 237 E C 2.107 178.692 176.600 -0.025 0.000 0.994 237 E CA 1.561 57.941 56.400 -0.033 0.000 0.801 237 E CB 0.002 29.799 29.700 0.161 0.000 0.743 237 E HN 0.238 nan 8.360 nan 0.000 0.453 238 S N 0.069 115.742 115.700 -0.046 0.000 2.423 238 S HA -0.112 4.358 4.470 0.000 0.000 0.231 238 S C 2.022 176.598 174.600 -0.041 0.000 1.014 238 S CA 0.814 59.006 58.200 -0.013 0.000 0.965 238 S CB -0.449 62.748 63.200 -0.004 0.000 0.785 238 S HN 0.292 nan 8.310 nan 0.000 0.495 239 I N 0.142 120.631 120.570 -0.135 0.000 2.233 239 I HA -0.108 4.062 4.170 0.000 0.000 0.243 239 I C 2.292 178.398 176.117 -0.019 0.000 1.093 239 I CA 1.203 62.432 61.300 -0.118 0.000 1.380 239 I CB -0.575 37.308 38.000 -0.195 0.000 1.067 239 I HN 0.199 nan 8.210 nan 0.000 0.413 240 Y N 1.216 121.537 120.300 0.034 0.000 2.151 240 Y HA -0.258 4.292 4.550 0.000 0.000 0.284 240 Y C 2.662 178.585 175.900 0.039 0.000 1.166 240 Y CA 0.873 58.998 58.100 0.041 0.000 1.163 240 Y CB -1.093 37.410 38.460 0.072 0.000 0.974 240 Y HN 0.253 nan 8.280 nan 0.000 0.511 241 Q N -0.563 119.349 119.800 0.186 0.000 2.369 241 Q HA 0.050 4.390 4.340 0.000 0.000 0.206 241 Q C 2.335 178.377 176.000 0.069 0.000 0.963 241 Q CA 0.920 56.793 55.803 0.117 0.000 0.894 241 Q CB -0.404 28.390 28.738 0.093 0.000 0.965 241 Q HN 0.529 nan 8.270 nan 0.000 0.475 242 A N 0.201 123.054 122.820 0.055 0.000 2.119 242 A HA -0.045 4.275 4.320 0.000 0.000 0.217 242 A C 1.189 178.794 177.584 0.035 0.000 1.153 242 A CA 0.080 52.136 52.037 0.032 0.000 0.692 242 A CB -0.304 18.704 19.000 0.013 0.000 0.799 242 A HN 0.344 nan 8.150 nan 0.000 0.458 243 C N -0.386 118.948 119.300 0.056 0.000 2.700 243 C HA 0.372 4.832 4.460 0.000 0.000 0.397 243 C C 1.383 176.397 174.990 0.040 0.000 1.301 243 C CA -0.282 58.765 59.018 0.048 0.000 2.219 243 C CB 0.271 28.050 27.740 0.065 0.000 2.699 243 C HN 0.479 nan 8.230 nan 0.000 0.669 244 S N 1.732 117.449 115.700 0.030 0.000 2.400 244 S HA 0.559 5.029 4.470 0.000 0.000 0.295 244 S C -0.709 173.909 174.600 0.030 0.000 1.113 244 S CA -0.337 57.879 58.200 0.026 0.000 1.064 244 S CB -0.705 62.506 63.200 0.018 0.000 0.990 244 S HN 0.511 nan 8.310 nan 0.000 0.502 245 L N 6.171 127.416 121.223 0.035 0.000 2.371 245 L HA 0.618 4.958 4.340 0.000 0.000 0.262 245 L C -2.043 174.850 176.870 0.039 0.000 1.006 245 L CA -2.456 52.409 54.840 0.042 0.000 0.818 245 L CB 2.276 44.368 42.059 0.055 0.000 1.354 245 L HN 0.456 nan 8.230 nan 0.000 0.415 246 P HA 0.012 nan 4.420 nan 0.000 0.271 246 P C -0.249 177.079 177.300 0.047 0.000 1.218 246 P CA -0.265 62.861 63.100 0.043 0.000 0.780 246 P CB 1.173 32.904 31.700 0.051 0.000 0.901 247 Q N 1.887 121.709 119.800 0.037 0.000 2.135 247 Q HA -0.225 4.115 4.340 0.000 0.000 0.204 247 Q C 2.019 178.039 176.000 0.033 0.000 0.981 247 Q CA 2.047 57.866 55.803 0.027 0.000 0.856 247 Q CB -0.571 28.177 28.738 0.016 0.000 0.902 247 Q HN 0.610 nan 8.270 nan 0.000 0.425 248 E N -1.056 119.180 120.200 0.060 0.000 2.077 248 E HA -0.200 4.150 4.350 0.000 0.000 0.193 248 E C 1.748 178.400 176.600 0.087 0.000 0.989 248 E CA 1.017 57.468 56.400 0.085 0.000 0.800 248 E CB -0.241 29.560 29.700 0.168 0.000 0.746 248 E HN 0.472 nan 8.360 nan 0.000 0.452 249 A N 1.341 124.238 122.820 0.128 0.000 1.908 249 A HA -0.209 4.111 4.320 0.000 0.000 0.218 249 A C 2.129 179.747 177.584 0.056 0.000 1.181 249 A CA 1.556 53.667 52.037 0.124 0.000 0.627 249 A CB -0.489 18.585 19.000 0.123 0.000 0.818 249 A HN 0.192 nan 8.150 nan 0.000 0.445 250 R N -0.978 119.550 120.500 0.047 0.000 2.081 250 R HA -0.097 4.243 4.340 0.000 0.000 0.235 250 R C 2.289 178.603 176.300 0.024 0.000 1.131 250 R CA 1.847 57.972 56.100 0.042 0.000 0.960 250 R CB -0.865 29.452 30.300 0.030 0.000 0.856 250 R HN 0.533 nan 8.270 nan 0.000 0.436 251 T N 0.761 115.304 114.554 -0.018 0.000 2.708 251 T HA -0.095 4.255 4.350 0.000 0.000 0.266 251 T C 2.023 176.661 174.700 -0.103 0.000 1.037 251 T CA 1.359 63.429 62.100 -0.050 0.000 1.146 251 T CB -0.185 68.632 68.868 -0.085 0.000 0.865 251 T HN -0.005 nan 8.240 nan 0.000 0.435 252 V N 1.272 121.061 119.914 -0.208 0.000 2.427 252 V HA -0.100 4.020 4.120 0.000 0.000 0.248 252 V C 2.365 178.346 176.094 -0.188 0.000 1.051 252 V CA 1.257 63.349 62.300 -0.346 0.000 1.048 252 V CB -0.624 30.770 31.823 -0.716 0.000 0.666 252 V HN 0.476 nan 8.190 nan 0.000 0.456 253 I N -0.276 120.259 120.570 -0.060 0.000 2.208 253 I HA -0.307 3.863 4.170 0.000 0.000 0.245 253 I C 2.513 178.658 176.117 0.047 0.000 1.097 253 I CA 2.059 63.379 61.300 0.032 0.000 1.363 253 I CB -0.502 37.565 38.000 0.110 0.000 1.051 253 I HN 0.406 nan 8.210 nan 0.000 0.413 254 H N -0.015 119.031 119.070 -0.039 0.000 2.357 254 H HA -0.150 4.406 4.556 0.000 0.000 0.301 254 H C 2.453 177.705 175.328 -0.127 0.000 1.082 254 H CA 1.908 57.925 56.048 -0.051 0.000 1.342 254 H CB 0.012 29.741 29.762 -0.054 0.000 1.389 254 H HN 0.145 nan 8.280 nan 0.000 0.511 255 S N -0.675 114.895 115.700 -0.217 0.000 2.356 255 S HA -0.101 4.369 4.470 0.000 0.000 0.223 255 S C 2.231 176.625 174.600 -0.343 0.000 1.032 255 S CA 1.267 59.279 58.200 -0.312 0.000 1.005 255 S CB -0.405 62.635 63.200 -0.267 0.000 0.867 255 S HN 0.474 nan 8.310 nan 0.000 0.449 256 L N 0.731 121.743 121.223 -0.352 0.000 2.079 256 L HA -0.115 4.225 4.340 0.000 0.000 0.210 256 L C 2.732 179.204 176.870 -0.663 0.000 1.081 256 L CA 1.525 56.039 54.840 -0.544 0.000 0.752 256 L CB -0.969 40.735 42.059 -0.591 0.000 0.896 256 L HN 0.352 nan 8.230 nan 0.000 0.433 257 T N -1.000 113.325 114.554 -0.381 0.000 2.708 257 T HA -0.151 4.199 4.350 0.000 0.000 0.266 257 T C 1.781 176.374 174.700 -0.178 0.000 1.037 257 T CA 1.204 63.218 62.100 -0.143 0.000 1.146 257 T CB -0.065 68.809 68.868 0.010 0.000 0.865 257 T HN 0.281 nan 8.240 nan 0.000 0.435 258 E N 0.865 120.885 120.200 -0.300 0.000 2.158 258 E HA 0.040 4.390 4.350 0.000 0.000 0.191 258 E C 2.311 178.818 176.600 -0.155 0.000 0.982 258 E CA 0.751 57.012 56.400 -0.232 0.000 0.823 258 E CB -0.071 29.417 29.700 -0.353 0.000 0.766 258 E HN 0.438 nan 8.360 nan 0.000 0.468 259 R N -0.598 119.779 120.500 -0.206 0.000 2.223 259 R HA 0.128 4.468 4.340 0.000 0.000 0.198 259 R C 1.709 177.929 176.300 -0.133 0.000 0.984 259 R CA 0.300 56.310 56.100 -0.150 0.000 1.018 259 R CB 0.344 30.542 30.300 -0.170 0.000 0.945 259 R HN 0.028 nan 8.270 nan 0.000 0.479 260 L N -2.410 118.703 121.223 -0.182 0.000 2.678 260 L HA 0.179 4.519 4.340 0.000 0.000 0.187 260 L C 1.144 178.028 176.870 0.023 0.000 1.073 260 L CA 0.646 55.411 54.840 -0.124 0.000 0.883 260 L CB -0.181 41.742 42.059 -0.227 0.000 1.501 260 L HN -0.124 nan 8.230 nan 0.000 0.488 261 Y N 0.587 120.882 120.300 -0.007 0.000 2.242 261 Y HA -0.031 4.519 4.550 0.000 0.000 0.291 261 Y C 2.591 178.487 175.900 -0.007 0.000 1.137 261 Y CA 1.425 59.535 58.100 0.017 0.000 1.181 261 Y CB -1.303 37.194 38.460 0.060 0.000 0.989 261 Y HN 0.203 nan 8.280 nan 0.000 0.527 262 V N -2.420 117.568 119.914 0.123 0.000 3.217 262 V HA 0.468 4.588 4.120 0.000 0.000 0.264 262 V C 0.942 177.041 176.094 0.008 0.000 1.135 262 V CA 0.911 63.243 62.300 0.053 0.000 1.142 262 V CB -0.821 31.021 31.823 0.033 0.000 0.754 262 V HN 0.413 nan 8.190 nan 0.000 0.484 263 G N -2.188 106.600 108.800 -0.020 0.000 2.368 263 G HA2 0.567 4.527 3.960 0.000 0.000 0.302 263 G HA3 0.567 4.527 3.960 0.000 0.000 0.302 263 G C -0.412 174.356 174.900 -0.220 0.000 1.329 263 G CA -0.154 44.878 45.100 -0.113 0.000 0.935 263 G HN 1.755 nan 8.290 nan 0.000 0.590 264 G N -0.975 107.455 108.800 -0.617 0.000 2.337 264 G HA2 0.703 4.663 3.960 0.000 0.000 0.298 264 G HA3 0.703 4.663 3.960 0.000 0.000 0.298 264 G C -3.490 170.766 174.900 -1.073 0.000 1.335 264 G CA 0.242 44.881 45.100 -0.768 0.000 0.875 264 G HN 0.904 nan 8.290 nan 0.000 0.579 265 P HA 0.472 nan 4.420 nan 0.000 0.277 265 P C -0.601 176.576 177.300 -0.205 0.000 1.240 265 P CA -0.130 62.786 63.100 -0.306 0.000 0.798 265 P CB 1.080 32.760 31.700 -0.032 0.000 0.979 266 M N 1.215 120.738 119.600 -0.129 0.000 2.393 266 M HA 0.372 4.853 4.480 0.000 0.000 0.316 266 M C -0.172 176.111 176.300 -0.028 0.000 1.087 266 M CA -0.218 55.034 55.300 -0.080 0.000 0.937 266 M CB 2.326 34.890 32.600 -0.060 0.000 1.668 266 M HN 0.173 nan 8.290 nan 0.000 0.438 267 T N 1.960 116.491 114.554 -0.039 0.000 2.829 267 T HA 0.396 4.746 4.350 0.000 0.000 0.280 267 T C -0.211 174.478 174.700 -0.018 0.000 0.999 267 T CA -0.884 61.203 62.100 -0.021 0.000 0.983 267 T CB 1.041 69.885 68.868 -0.040 0.000 0.968 267 T HN 0.753 nan 8.240 nan 0.000 0.446 268 N N 0.693 119.399 118.700 0.010 0.000 2.327 268 N HA 0.090 4.830 4.740 0.000 0.000 0.257 268 N C 1.445 176.953 175.510 -0.002 0.000 1.281 268 N CA -0.133 52.926 53.050 0.015 0.000 0.942 268 N CB 0.173 38.682 38.487 0.036 0.000 1.199 268 N HN 0.466 nan 8.380 nan 0.000 0.532 269 S N -0.823 114.882 115.700 0.009 0.000 2.442 269 S HA -0.106 4.364 4.470 0.000 0.000 0.236 269 S C 1.127 175.727 174.600 0.001 0.000 1.007 269 S CA 0.704 58.909 58.200 0.008 0.000 0.965 269 S CB -0.421 62.794 63.200 0.026 0.000 0.773 269 S HN 0.638 nan 8.310 nan 0.000 0.504 270 K N 0.821 121.224 120.400 0.004 0.000 2.487 270 K HA 0.194 4.514 4.320 0.000 0.000 0.192 270 K C 1.257 177.854 176.600 -0.006 0.000 1.027 270 K CA 0.401 56.688 56.287 0.001 0.000 1.054 270 K CB -0.315 32.190 32.500 0.007 0.000 0.824 270 K HN 0.600 nan 8.250 nan 0.000 0.510 271 G N 1.748 110.541 108.800 -0.011 0.000 2.159 271 G HA2 -0.289 3.671 3.960 0.000 0.000 0.256 271 G HA3 -0.289 3.671 3.960 0.000 0.000 0.256 271 G C -0.266 174.632 174.900 -0.003 0.000 0.977 271 G CA -0.045 45.046 45.100 -0.015 0.000 0.652 271 G HN 0.374 nan 8.290 nan 0.000 0.531 272 Q N 0.465 120.269 119.800 0.008 0.000 2.259 272 Q HA 0.553 4.893 4.340 0.000 0.000 0.249 272 Q C 0.549 176.566 176.000 0.028 0.000 0.914 272 Q CA 0.052 55.866 55.803 0.019 0.000 0.904 272 Q CB 1.560 30.314 28.738 0.026 0.000 1.213 272 Q HN 0.281 nan 8.270 nan 0.000 0.428 273 S N 0.892 116.613 115.700 0.034 0.000 2.515 273 S HA -0.026 4.444 4.470 0.000 0.000 0.285 273 S C 0.496 175.140 174.600 0.074 0.000 1.265 273 S CA -0.378 57.850 58.200 0.046 0.000 1.079 273 S CB 0.111 63.340 63.200 0.049 0.000 0.877 273 S HN 0.843 nan 8.310 nan 0.000 0.493 274 C N 4.436 123.789 119.300 0.089 0.000 2.563 274 C HA 0.668 5.128 4.460 0.000 0.000 0.346 274 C C 1.162 176.285 174.990 0.221 0.000 1.334 274 C CA 0.720 59.836 59.018 0.163 0.000 1.938 274 C CB -0.785 27.055 27.740 0.166 0.000 2.445 274 C HN 1.036 nan 8.230 nan 0.000 0.541 275 G N -1.692 107.155 108.800 0.079 0.000 2.428 275 G HA2 0.434 4.394 3.960 0.000 0.000 0.304 275 G HA3 0.434 4.394 3.960 0.000 0.000 0.304 275 G C -2.404 172.459 174.900 -0.062 0.000 1.303 275 G CA -0.298 44.761 45.100 -0.068 0.000 0.825 275 G HN 0.151 nan 8.290 nan 0.000 0.484 276 Y N 0.401 120.554 120.300 -0.245 0.000 2.391 276 Y HA 0.728 5.278 4.550 0.000 0.000 0.341 276 Y C 0.227 175.998 175.900 -0.215 0.000 0.965 276 Y CA -0.893 57.100 58.100 -0.177 0.000 1.067 276 Y CB 1.964 40.341 38.460 -0.138 0.000 1.199 276 Y HN 0.639 nan 8.280 nan 0.000 0.450 277 R N 4.889 125.157 120.500 -0.387 0.000 2.407 277 R HA 0.532 4.872 4.340 0.000 0.000 0.303 277 R C -0.695 175.444 176.300 -0.268 0.000 0.981 277 R CA -0.571 55.310 56.100 -0.365 0.000 0.905 277 R CB 0.815 30.949 30.300 -0.277 0.000 1.099 277 R HN 0.871 nan 8.270 nan 0.000 0.459 278 R N 3.627 123.941 120.500 -0.309 0.000 2.698 278 R HA 0.221 4.561 4.340 0.000 0.000 0.422 278 R C -0.725 175.435 176.300 -0.234 0.000 1.073 278 R CA -0.331 55.665 56.100 -0.174 0.000 1.054 278 R CB 0.428 30.668 30.300 -0.101 0.000 1.373 278 R HN 0.796 nan 8.270 nan 0.000 0.593 279 C N -2.047 117.077 119.300 -0.294 0.000 3.311 279 C HA 0.608 5.068 4.460 0.000 0.000 0.366 279 C C -0.427 174.483 174.990 -0.134 0.000 1.694 279 C CA -1.477 57.395 59.018 -0.243 0.000 1.244 279 C CB 1.268 28.783 27.740 -0.374 0.000 2.038 279 C HN 0.434 nan 8.230 nan 0.000 0.436 280 R N 1.223 121.688 120.500 -0.059 0.000 2.537 280 R HA 0.519 4.859 4.340 0.000 0.000 0.280 280 R C 0.061 176.394 176.300 0.054 0.000 1.058 280 R CA 0.911 57.024 56.100 0.022 0.000 1.057 280 R CB 0.167 30.513 30.300 0.076 0.000 0.973 280 R HN 1.263 nan 8.270 nan 0.000 0.438 281 A N 3.419 126.286 122.820 0.077 0.000 2.366 281 A HA 0.236 4.556 4.320 0.000 0.000 0.272 281 A C 0.904 178.566 177.584 0.129 0.000 1.135 281 A CA -0.032 52.075 52.037 0.117 0.000 0.804 281 A CB 0.521 19.597 19.000 0.127 0.000 1.064 281 A HN 1.015 nan 8.150 nan 0.000 0.499 282 S N 2.142 117.936 115.700 0.156 0.000 2.453 282 S HA 0.013 4.483 4.470 0.000 0.000 0.231 282 S C 1.191 175.864 174.600 0.123 0.000 1.005 282 S CA 0.895 59.180 58.200 0.142 0.000 0.949 282 S CB 0.039 63.333 63.200 0.156 0.000 0.774 282 S HN 1.185 nan 8.310 nan 0.000 0.510 283 G N 1.822 110.717 108.800 0.159 0.000 3.936 283 G HA2 0.489 4.449 3.960 0.000 0.000 0.296 283 G HA3 0.489 4.449 3.960 0.000 0.000 0.296 283 G C 0.083 175.092 174.900 0.181 0.000 1.121 283 G CA -0.037 45.162 45.100 0.165 0.000 0.899 283 G HN 0.513 nan 8.290 nan 0.000 0.542 284 V N -3.392 116.611 119.914 0.150 0.000 2.966 284 V HA 0.642 4.762 4.120 0.000 0.000 0.317 284 V C 1.366 177.536 176.094 0.127 0.000 1.070 284 V CA -0.962 61.453 62.300 0.191 0.000 1.008 284 V CB 1.366 33.341 31.823 0.254 0.000 1.070 284 V HN 0.058 nan 8.190 nan 0.000 0.457 285 F N 2.657 122.656 119.950 0.082 0.000 2.091 285 F HA -0.178 4.349 4.527 0.000 0.000 0.299 285 F C 2.353 178.136 175.800 -0.028 0.000 1.103 285 F CA 2.863 60.888 58.000 0.040 0.000 1.228 285 F CB -0.519 38.533 39.000 0.086 0.000 0.984 285 F HN 0.792 nan 8.300 nan 0.000 0.477 286 T N -3.547 110.854 114.554 -0.256 0.000 3.148 286 T HA -0.008 4.342 4.350 0.000 0.000 0.253 286 T C 1.656 176.202 174.700 -0.256 0.000 1.134 286 T CA 0.924 62.809 62.100 -0.359 0.000 1.051 286 T CB -0.806 67.814 68.868 -0.412 0.000 0.959 286 T HN 0.227 nan 8.240 nan 0.000 0.525 287 T N 1.716 116.151 114.554 -0.198 0.000 2.746 287 T HA -0.121 4.229 4.350 0.000 0.000 0.267 287 T C 2.199 176.872 174.700 -0.045 0.000 1.039 287 T CA 1.610 63.665 62.100 -0.076 0.000 1.142 287 T CB -0.500 68.353 68.868 -0.023 0.000 0.866 287 T HN 0.550 nan 8.240 nan 0.000 0.444 288 S N 0.596 116.219 115.700 -0.128 0.000 2.345 288 S HA -0.016 4.454 4.470 0.000 0.000 0.219 288 S C 2.147 176.770 174.600 0.038 0.000 1.031 288 S CA 1.339 59.493 58.200 -0.075 0.000 0.984 288 S CB -0.392 62.644 63.200 -0.273 0.000 0.874 288 S HN 0.503 nan 8.310 nan 0.000 0.451 289 M N 0.929 120.504 119.600 -0.042 0.000 2.080 289 M HA -0.013 4.467 4.480 0.000 0.000 0.260 289 M C 2.031 178.388 176.300 0.095 0.000 1.068 289 M CA 2.066 57.393 55.300 0.045 0.000 1.109 289 M CB -0.934 31.649 32.600 -0.028 0.000 1.342 289 M HN 0.424 nan 8.290 nan 0.000 0.405 290 G N 0.441 109.288 108.800 0.078 0.000 2.433 290 G HA2 -0.274 3.686 3.960 0.000 0.000 0.216 290 G HA3 -0.274 3.686 3.960 0.000 0.000 0.216 290 G C 1.193 176.188 174.900 0.157 0.000 1.186 290 G CA 1.185 46.349 45.100 0.107 0.000 0.779 290 G HN 0.481 nan 8.290 nan 0.000 0.543 291 N N 0.476 119.285 118.700 0.182 0.000 2.069 291 N HA -0.100 4.640 4.740 0.000 0.000 0.191 291 N C 2.382 177.977 175.510 0.142 0.000 1.031 291 N CA 1.729 54.924 53.050 0.241 0.000 0.852 291 N CB -0.935 37.623 38.487 0.117 0.000 1.018 291 N HN 0.255 nan 8.380 nan 0.000 0.423 292 T N 1.567 116.212 114.554 0.153 0.000 2.684 292 T HA -0.063 4.287 4.350 0.000 0.000 0.267 292 T C 2.033 176.839 174.700 0.177 0.000 1.036 292 T CA 1.094 63.300 62.100 0.177 0.000 1.148 292 T CB -0.127 68.939 68.868 0.329 0.000 0.863 292 T HN 0.230 nan 8.240 nan 0.000 0.436 293 M N 0.668 120.353 119.600 0.142 0.000 2.132 293 M HA -0.080 4.400 4.480 0.000 0.000 0.263 293 M C 2.603 179.016 176.300 0.187 0.000 1.065 293 M CA 1.326 56.694 55.300 0.113 0.000 1.122 293 M CB -0.785 31.837 32.600 0.037 0.000 1.365 293 M HN 0.215 nan 8.290 nan 0.000 0.411 294 T N -0.093 114.592 114.554 0.218 0.000 2.737 294 T HA -0.176 4.174 4.350 0.000 0.000 0.265 294 T C 1.908 176.816 174.700 0.347 0.000 1.038 294 T CA 1.392 63.656 62.100 0.274 0.000 1.144 294 T CB -0.532 68.531 68.868 0.326 0.000 0.866 294 T HN 0.522 nan 8.240 nan 0.000 0.434 295 C N 0.743 120.288 119.300 0.409 0.000 2.413 295 C HA -0.118 4.342 4.460 0.000 0.000 0.276 295 C C 2.396 177.541 174.990 0.259 0.000 1.248 295 C CA 0.680 59.905 59.018 0.344 0.000 1.742 295 C CB -1.440 26.352 27.740 0.087 0.000 2.017 295 C HN 0.650 nan 8.230 nan 0.000 0.481 296 Y N 1.328 121.698 120.300 0.117 0.000 2.128 296 Y HA -0.130 4.420 4.550 0.000 0.000 0.284 296 Y C 2.091 178.026 175.900 0.058 0.000 1.154 296 Y CA 2.277 60.427 58.100 0.083 0.000 1.149 296 Y CB -0.458 38.037 38.460 0.058 0.000 0.976 296 Y HN 0.350 nan 8.280 nan 0.000 0.505 297 I N 0.379 121.014 120.570 0.107 0.000 2.179 297 I HA -0.343 3.827 4.170 0.000 0.000 0.242 297 I C 2.374 178.419 176.117 -0.120 0.000 1.088 297 I CA 1.840 63.082 61.300 -0.096 0.000 1.357 297 I CB -0.430 37.497 38.000 -0.121 0.000 1.051 297 I HN 0.180 nan 8.210 nan 0.000 0.409 298 K N 0.747 121.172 120.400 0.042 0.000 2.057 298 K HA -0.129 4.191 4.320 0.000 0.000 0.207 298 K C 2.259 178.917 176.600 0.098 0.000 1.049 298 K CA 1.522 57.872 56.287 0.105 0.000 0.931 298 K CB -0.272 32.366 32.500 0.230 0.000 0.714 298 K HN 0.326 nan 8.250 nan 0.000 0.440 299 A N 1.267 124.126 122.820 0.066 0.000 1.898 299 A HA -0.125 4.195 4.320 0.000 0.000 0.216 299 A C 2.073 179.702 177.584 0.075 0.000 1.181 299 A CA 0.993 53.093 52.037 0.105 0.000 0.620 299 A CB -0.471 18.645 19.000 0.193 0.000 0.819 299 A HN 0.189 nan 8.150 nan 0.000 0.442 300 L N -0.195 120.955 121.223 -0.123 0.000 2.083 300 L HA -0.034 4.306 4.340 0.000 0.000 0.209 300 L C 2.669 179.514 176.870 -0.042 0.000 1.083 300 L CA 2.001 56.746 54.840 -0.158 0.000 0.752 300 L CB -0.834 40.979 42.059 -0.410 0.000 0.899 300 L HN 0.356 nan 8.230 nan 0.000 0.433 301 A N -0.710 122.094 122.820 -0.027 0.000 1.898 301 A HA -0.077 4.243 4.320 0.000 0.000 0.216 301 A C 2.436 180.096 177.584 0.126 0.000 1.181 301 A CA 1.652 53.737 52.037 0.081 0.000 0.620 301 A CB -1.057 17.985 19.000 0.069 0.000 0.819 301 A HN 0.513 nan 8.150 nan 0.000 0.442 302 A N -1.119 121.771 122.820 0.116 0.000 1.933 302 A HA -0.151 4.169 4.320 0.000 0.000 0.218 302 A C 2.269 179.852 177.584 -0.001 0.000 1.175 302 A CA 1.601 53.556 52.037 -0.137 0.000 0.628 302 A CB -1.226 17.321 19.000 -0.755 0.000 0.814 302 A HN 0.585 nan 8.150 nan 0.000 0.444 303 C N -0.603 118.814 119.300 0.196 0.000 2.429 303 C HA -0.084 4.376 4.460 0.000 0.000 0.277 303 C C 2.737 177.761 174.990 0.056 0.000 1.262 303 C CA 1.369 60.535 59.018 0.247 0.000 1.733 303 C CB -0.995 26.860 27.740 0.192 0.000 2.010 303 C HN 0.625 nan 8.230 nan 0.000 0.483 304 K N 1.036 121.418 120.400 -0.030 0.000 2.057 304 K HA -0.079 4.241 4.320 0.000 0.000 0.206 304 K C 2.245 178.616 176.600 -0.383 0.000 1.050 304 K CA 1.528 57.738 56.287 -0.129 0.000 0.935 304 K CB -0.332 32.140 32.500 -0.047 0.000 0.715 304 K HN 0.461 nan 8.250 nan 0.000 0.439 305 A N 1.344 123.823 122.820 -0.569 0.000 1.972 305 A HA -0.100 4.220 4.320 0.000 0.000 0.219 305 A C 2.248 179.706 177.584 -0.210 0.000 1.169 305 A CA 1.875 53.564 52.037 -0.580 0.000 0.635 305 A CB -0.507 18.284 19.000 -0.350 0.000 0.810 305 A HN 0.339 nan 8.150 nan 0.000 0.446 306 A N -2.135 120.624 122.820 -0.101 0.000 2.132 306 A HA 0.417 4.738 4.320 0.000 0.000 0.213 306 A C 1.801 179.383 177.584 -0.004 0.000 1.154 306 A CA 1.214 53.242 52.037 -0.016 0.000 0.753 306 A CB -0.713 18.343 19.000 0.093 0.000 0.826 306 A HN 1.895 nan 8.150 nan 0.000 0.469 307 G N -0.447 108.346 108.800 -0.011 0.000 2.137 307 G HA2 -0.182 3.778 3.960 0.000 0.000 0.237 307 G HA3 -0.182 3.778 3.960 0.000 0.000 0.237 307 G C 0.019 174.932 174.900 0.021 0.000 1.002 307 G CA 0.083 45.186 45.100 0.005 0.000 0.702 307 G HN 0.353 nan 8.290 nan 0.000 0.515 308 I N 0.953 121.549 120.570 0.043 0.000 2.598 308 I HA 0.282 4.452 4.170 0.000 0.000 0.284 308 I C 1.066 177.205 176.117 0.038 0.000 1.140 308 I CA -0.049 61.283 61.300 0.054 0.000 1.420 308 I CB 1.072 39.134 38.000 0.103 0.000 1.387 308 I HN 0.170 nan 8.210 nan 0.000 0.553 309 V N 5.863 125.791 119.914 0.024 0.000 2.398 309 V HA 0.392 4.513 4.120 0.000 0.000 0.286 309 V C -0.169 175.926 176.094 0.002 0.000 1.026 309 V CA -0.396 61.911 62.300 0.012 0.000 0.868 309 V CB 1.222 33.048 31.823 0.004 0.000 0.982 309 V HN 0.872 nan 8.190 nan 0.000 0.443 310 D N 4.018 124.420 120.400 0.005 0.000 2.718 310 D HA -0.102 4.538 4.640 0.000 0.000 0.242 310 D C -2.340 173.960 176.300 -0.001 0.000 1.123 310 D CA 0.916 54.915 54.000 -0.001 0.000 0.690 310 D CB -1.075 39.713 40.800 -0.020 0.000 1.059 310 D HN 0.747 nan 8.370 nan 0.000 0.429 311 P HA 0.143 nan 4.420 nan 0.000 0.271 311 P C -0.055 177.258 177.300 0.020 0.000 1.220 311 P CA -0.260 62.847 63.100 0.012 0.000 0.768 311 P CB 1.261 32.980 31.700 0.031 0.000 0.848 312 V N 5.456 125.373 119.914 0.005 0.000 2.384 312 V HA 0.354 4.474 4.120 0.000 0.000 0.287 312 V C 0.611 176.752 176.094 0.078 0.000 1.020 312 V CA -0.325 62.005 62.300 0.050 0.000 0.850 312 V CB 1.085 32.891 31.823 -0.028 0.000 0.987 312 V HN 0.517 nan 8.190 nan 0.000 0.436 313 M N 5.306 125.008 119.600 0.169 0.000 2.578 313 M HA 0.632 5.112 4.480 0.000 0.000 0.321 313 M C -1.191 175.264 176.300 0.258 0.000 1.182 313 M CA -0.865 54.523 55.300 0.147 0.000 0.965 313 M CB 2.301 34.974 32.600 0.122 0.000 1.694 313 M HN 0.433 nan 8.290 nan 0.000 0.461 314 L N 2.702 124.031 121.223 0.176 0.000 2.372 314 L HA 0.603 4.943 4.340 0.000 0.000 0.274 314 L C -1.445 175.435 176.870 0.016 0.000 0.988 314 L CA -0.450 54.466 54.840 0.128 0.000 0.833 314 L CB 1.631 43.805 42.059 0.192 0.000 1.236 314 L HN 0.481 nan 8.230 nan 0.000 0.410 315 V N 4.103 124.009 119.914 -0.013 0.000 2.409 315 V HA 0.431 4.552 4.120 0.000 0.000 0.291 315 V C -0.558 175.401 176.094 -0.225 0.000 1.020 315 V CA -0.461 61.818 62.300 -0.035 0.000 0.848 315 V CB 1.413 33.306 31.823 0.116 0.000 0.990 315 V HN 0.852 nan 8.190 nan 0.000 0.430 316 C N 4.967 124.072 119.300 -0.324 0.000 2.647 316 C HA 0.769 5.229 4.460 0.000 0.000 0.273 316 C C 1.295 176.146 174.990 -0.232 0.000 1.088 316 C CA 0.036 58.632 59.018 -0.703 0.000 1.529 316 C CB -0.567 26.688 27.740 -0.808 0.000 1.810 316 C HN 1.371 nan 8.230 nan 0.000 0.422 317 G N 4.399 113.226 108.800 0.044 0.000 2.565 317 G HA2 -0.323 3.637 3.960 0.000 0.000 0.295 317 G HA3 -0.323 3.637 3.960 0.000 0.000 0.295 317 G C 0.567 175.353 174.900 -0.189 0.000 1.165 317 G CA 1.061 46.223 45.100 0.103 0.000 0.977 317 G HN 0.689 nan 8.290 nan 0.000 0.546 318 D N 1.021 121.229 120.400 -0.319 0.000 2.349 318 D HA 0.161 4.801 4.640 0.000 0.000 0.224 318 D C 0.619 176.780 176.300 -0.231 0.000 1.029 318 D CA 0.944 54.578 54.000 -0.611 0.000 0.879 318 D CB 0.044 40.493 40.800 -0.584 0.000 0.906 318 D HN 0.488 nan 8.370 nan 0.000 0.528 319 D N 0.319 120.645 120.400 -0.123 0.000 2.264 319 D HA 0.318 4.958 4.640 0.000 0.000 0.250 319 D C -1.044 175.233 176.300 -0.038 0.000 1.113 319 D CA -0.529 53.438 54.000 -0.055 0.000 0.871 319 D CB 1.121 41.879 40.800 -0.069 0.000 1.167 319 D HN 0.049 nan 8.370 nan 0.000 0.447 320 L N 4.423 125.660 121.223 0.023 0.000 2.436 320 L HA 0.424 4.764 4.340 0.000 0.000 0.268 320 L C -1.675 175.174 176.870 -0.036 0.000 0.974 320 L CA -0.573 54.284 54.840 0.030 0.000 0.826 320 L CB 2.018 44.160 42.059 0.138 0.000 1.291 320 L HN 0.127 nan 8.230 nan 0.000 0.406 321 V N 5.246 125.102 119.914 -0.097 0.000 2.540 321 V HA 0.661 4.781 4.120 0.000 0.000 0.302 321 V C -0.771 175.158 176.094 -0.275 0.000 1.035 321 V CA -0.673 61.505 62.300 -0.204 0.000 0.873 321 V CB 2.107 33.863 31.823 -0.111 0.000 0.992 321 V HN 0.513 nan 8.190 nan 0.000 0.428 322 V N 6.059 125.624 119.914 -0.582 0.000 2.487 322 V HA 0.550 4.670 4.120 0.000 0.000 0.298 322 V C -0.367 175.498 176.094 -0.381 0.000 1.028 322 V CA -0.412 61.560 62.300 -0.546 0.000 0.860 322 V CB 1.823 33.099 31.823 -0.913 0.000 0.991 322 V HN 0.686 nan 8.190 nan 0.000 0.427 323 I N 4.659 125.136 120.570 -0.155 0.000 2.404 323 I HA 0.691 4.861 4.170 0.000 0.000 0.293 323 I C 0.218 176.292 176.117 -0.072 0.000 0.992 323 I CA 0.148 61.411 61.300 -0.062 0.000 1.149 323 I CB 2.039 40.041 38.000 0.003 0.000 1.315 323 I HN 0.844 nan 8.210 nan 0.000 0.446 324 S N 4.216 119.875 115.700 -0.069 0.000 2.776 324 S HA 0.493 4.963 4.470 0.000 0.000 0.292 324 S C -1.032 173.511 174.600 -0.095 0.000 1.187 324 S CA -1.082 57.083 58.200 -0.060 0.000 0.834 324 S CB 1.804 65.005 63.200 0.002 0.000 1.199 324 S HN 0.403 nan 8.310 nan 0.000 0.514 325 E N 1.848 122.006 120.200 -0.069 0.000 2.257 325 E HA 0.259 4.609 4.350 0.000 0.000 0.278 325 E C -0.112 176.472 176.600 -0.026 0.000 1.049 325 E CA 0.057 56.414 56.400 -0.070 0.000 0.876 325 E CB 1.418 31.085 29.700 -0.054 0.000 1.035 325 E HN 0.578 nan 8.360 nan 0.000 0.419 326 S N 2.777 118.471 115.700 -0.010 0.000 2.549 326 S HA -0.020 4.450 4.470 0.000 0.000 0.283 326 S C 0.645 175.261 174.600 0.026 0.000 1.320 326 S CA -0.187 58.050 58.200 0.063 0.000 1.058 326 S CB 0.385 63.670 63.200 0.141 0.000 0.882 326 S HN 0.281 nan 8.310 nan 0.000 0.498 327 Q N 2.615 122.436 119.800 0.036 0.000 2.188 327 Q HA 0.293 4.634 4.340 0.000 0.000 0.212 327 Q C 0.832 176.838 176.000 0.010 0.000 0.846 327 Q CA 0.484 56.295 55.803 0.014 0.000 0.989 327 Q CB 0.247 28.992 28.738 0.012 0.000 1.114 327 Q HN 1.034 nan 8.270 nan 0.000 0.488 328 G N 1.343 110.150 108.800 0.012 0.000 2.663 328 G HA2 -0.215 3.745 3.960 0.000 0.000 0.686 328 G HA3 -0.215 3.745 3.960 0.000 0.000 0.686 328 G C 0.251 175.161 174.900 0.017 0.000 1.246 328 G CA -0.471 44.624 45.100 -0.008 0.000 0.795 328 G HN 0.121 nan 8.290 nan 0.000 0.627 329 N N 0.281 118.973 118.700 -0.013 0.000 2.058 329 N HA -0.076 4.664 4.740 0.000 0.000 0.191 329 N C 2.068 177.604 175.510 0.043 0.000 1.037 329 N CA 1.979 55.039 53.050 0.017 0.000 0.848 329 N CB -0.222 38.245 38.487 -0.032 0.000 1.021 329 N HN 0.785 nan 8.380 nan 0.000 0.422 330 E N 0.289 120.499 120.200 0.017 0.000 2.106 330 E HA -0.150 4.200 4.350 0.000 0.000 0.192 330 E C 1.664 178.273 176.600 0.014 0.000 0.984 330 E CA 0.697 57.106 56.400 0.015 0.000 0.806 330 E CB 0.035 29.737 29.700 0.004 0.000 0.750 330 E HN 0.258 nan 8.360 nan 0.000 0.458 331 E N 1.176 121.384 120.200 0.014 0.000 2.106 331 E HA -0.185 4.165 4.350 0.000 0.000 0.192 331 E C 1.388 177.995 176.600 0.012 0.000 0.984 331 E CA 1.294 57.700 56.400 0.010 0.000 0.806 331 E CB -0.036 29.669 29.700 0.008 0.000 0.750 331 E HN 0.136 nan 8.360 nan 0.000 0.458 332 D N 0.400 120.821 120.400 0.035 0.000 2.117 332 D HA -0.151 4.489 4.640 0.000 0.000 0.197 332 D C 1.740 178.030 176.300 -0.017 0.000 0.987 332 D CA 0.949 54.966 54.000 0.029 0.000 0.829 332 D CB -0.119 40.753 40.800 0.120 0.000 0.961 332 D HN 0.290 nan 8.370 nan 0.000 0.460 333 E N 0.654 120.857 120.200 0.006 0.000 2.077 333 E HA -0.121 4.229 4.350 0.000 0.000 0.193 333 E C 2.246 178.828 176.600 -0.030 0.000 0.989 333 E CA 0.527 56.918 56.400 -0.016 0.000 0.800 333 E CB -0.081 29.624 29.700 0.008 0.000 0.746 333 E HN 0.333 nan 8.360 nan 0.000 0.452 334 R N 0.649 121.139 120.500 -0.017 0.000 2.083 334 R HA -0.112 4.228 4.340 0.000 0.000 0.237 334 R C 2.135 178.419 176.300 -0.026 0.000 1.137 334 R CA 1.530 57.620 56.100 -0.017 0.000 0.951 334 R CB -0.433 29.862 30.300 -0.009 0.000 0.851 334 R HN 0.289 nan 8.270 nan 0.000 0.434 335 N N 0.399 119.079 118.700 -0.033 0.000 2.166 335 N HA -0.131 4.609 4.740 0.000 0.000 0.186 335 N C 1.865 177.336 175.510 -0.066 0.000 1.019 335 N CA 0.752 53.781 53.050 -0.036 0.000 0.856 335 N CB -0.039 38.428 38.487 -0.032 0.000 0.993 335 N HN 0.153 nan 8.380 nan 0.000 0.426 336 L N 0.875 122.007 121.223 -0.151 0.000 2.093 336 L HA -0.085 4.255 4.340 0.000 0.000 0.208 336 L C 2.342 179.176 176.870 -0.061 0.000 1.085 336 L CA 1.086 55.776 54.840 -0.250 0.000 0.755 336 L CB -0.368 41.470 42.059 -0.367 0.000 0.904 336 L HN 0.194 nan 8.230 nan 0.000 0.435 337 R N -0.014 120.464 120.500 -0.036 0.000 2.092 337 R HA -0.108 4.232 4.340 0.000 0.000 0.231 337 R C 2.396 178.700 176.300 0.008 0.000 1.119 337 R CA 1.282 57.383 56.100 0.001 0.000 0.970 337 R CB -0.364 29.931 30.300 -0.008 0.000 0.864 337 R HN 0.313 nan 8.270 nan 0.000 0.440 338 A N 0.721 123.539 122.820 -0.002 0.000 1.930 338 A HA -0.172 4.148 4.320 0.000 0.000 0.217 338 A C 1.921 179.487 177.584 -0.031 0.000 1.175 338 A CA 0.905 52.929 52.037 -0.022 0.000 0.627 338 A CB -0.558 18.430 19.000 -0.020 0.000 0.815 338 A HN 0.359 nan 8.150 nan 0.000 0.443 339 F N 1.271 121.142 119.950 -0.131 0.000 2.075 339 F HA -0.175 4.352 4.527 0.000 0.000 0.297 339 F C 2.485 178.189 175.800 -0.159 0.000 1.113 339 F CA 2.389 60.300 58.000 -0.148 0.000 1.218 339 F CB -0.598 38.300 39.000 -0.171 0.000 0.984 339 F HN 0.198 nan 8.300 nan 0.000 0.472 340 T N 0.205 114.824 114.554 0.108 0.000 2.720 340 T HA -0.209 4.141 4.350 0.000 0.000 0.268 340 T C 1.723 176.386 174.700 -0.061 0.000 1.037 340 T CA 1.822 63.983 62.100 0.101 0.000 1.144 340 T CB -0.364 68.640 68.868 0.227 0.000 0.864 340 T HN 0.414 nan 8.240 nan 0.000 0.444 341 E N 0.873 121.019 120.200 -0.090 0.000 2.077 341 E HA -0.075 4.275 4.350 0.000 0.000 0.193 341 E C 2.556 179.005 176.600 -0.252 0.000 0.989 341 E CA 1.011 57.336 56.400 -0.126 0.000 0.800 341 E CB -0.191 29.451 29.700 -0.097 0.000 0.746 341 E HN 0.493 nan 8.360 nan 0.000 0.452 342 A N 1.285 123.879 122.820 -0.375 0.000 1.873 342 A HA -0.154 4.166 4.320 0.000 0.000 0.215 342 A C 2.176 179.245 177.584 -0.858 0.000 1.186 342 A CA 1.099 52.745 52.037 -0.651 0.000 0.616 342 A CB -0.289 18.359 19.000 -0.587 0.000 0.823 342 A HN 0.103 nan 8.150 nan 0.000 0.442 343 M N -0.209 119.019 119.600 -0.621 0.000 2.149 343 M HA -0.125 4.356 4.480 0.000 0.000 0.261 343 M C 2.160 178.369 176.300 -0.152 0.000 1.064 343 M CA 2.010 57.090 55.300 -0.367 0.000 1.102 343 M CB -1.858 30.450 32.600 -0.487 0.000 1.369 343 M HN 0.439 nan 8.290 nan 0.000 0.408 344 T N 0.119 114.590 114.554 -0.139 0.000 2.777 344 T HA -0.090 4.260 4.350 0.000 0.000 0.266 344 T C 1.971 176.620 174.700 -0.085 0.000 1.040 344 T CA 1.049 63.118 62.100 -0.052 0.000 1.141 344 T CB -0.177 68.669 68.868 -0.037 0.000 0.868 344 T HN 0.375 nan 8.240 nan 0.000 0.444 345 R N 0.126 120.510 120.500 -0.193 0.000 2.105 345 R HA -0.083 4.257 4.340 0.000 0.000 0.239 345 R C 1.793 178.077 176.300 -0.026 0.000 1.135 345 R CA 1.222 57.228 56.100 -0.156 0.000 0.967 345 R CB -0.324 29.819 30.300 -0.262 0.000 0.861 345 R HN 0.433 nan 8.270 nan 0.000 0.442 346 Y N 0.002 120.255 120.300 -0.078 0.000 2.529 346 Y HA 0.097 4.647 4.550 0.000 0.000 0.290 346 Y C 0.886 176.743 175.900 -0.071 0.000 1.177 346 Y CA -0.372 57.670 58.100 -0.097 0.000 1.305 346 Y CB -0.233 38.187 38.460 -0.066 0.000 1.047 346 Y HN -0.043 nan 8.280 nan 0.000 0.522 347 S N -0.234 115.520 115.700 0.090 0.000 3.968 347 S HA -0.067 4.403 4.470 0.000 0.000 0.373 347 S C -0.106 174.527 174.600 0.055 0.000 0.974 347 S CA 0.441 58.675 58.200 0.057 0.000 1.124 347 S CB -1.442 61.774 63.200 0.027 0.000 0.862 347 S HN 0.686 nan 8.310 nan 0.000 0.492 348 A N 2.077 124.957 122.820 0.100 0.000 3.409 348 A HA 0.576 4.897 4.320 0.000 0.000 0.282 348 A C -2.394 175.342 177.584 0.253 0.000 1.064 348 A CA -0.803 51.338 52.037 0.173 0.000 0.889 348 A CB 0.910 20.066 19.000 0.259 0.000 1.251 348 A HN 0.409 nan 8.150 nan 0.000 0.538 349 P HA 0.264 nan 4.420 nan 0.000 0.271 349 P C -2.881 174.489 177.300 0.117 0.000 1.218 349 P CA -0.902 62.267 63.100 0.115 0.000 0.780 349 P CB 0.577 32.272 31.700 -0.007 0.000 0.901 350 P HA 0.114 nan 4.420 nan 0.000 0.282 350 P C 0.628 177.868 177.300 -0.100 0.000 1.249 350 P CA 0.057 63.085 63.100 -0.120 0.000 0.806 350 P CB 0.999 32.654 31.700 -0.074 0.000 0.984 351 G N 2.213 110.933 108.800 -0.133 0.000 2.583 351 G HA2 0.021 3.981 3.960 0.000 0.000 0.215 351 G HA3 0.021 3.981 3.960 0.000 0.000 0.215 351 G C -0.238 174.614 174.900 -0.080 0.000 1.481 351 G CA 0.091 45.143 45.100 -0.081 0.000 0.948 351 G HN 0.447 nan 8.290 nan 0.000 0.511 352 D N 1.051 121.403 120.400 -0.081 0.000 2.350 352 D HA 0.286 4.926 4.640 0.000 0.000 0.249 352 D C 0.423 176.679 176.300 -0.073 0.000 1.119 352 D CA -0.026 53.938 54.000 -0.060 0.000 0.886 352 D CB 1.542 42.317 40.800 -0.042 0.000 1.195 352 D HN 0.016 nan 8.370 nan 0.000 0.437 353 L N 3.754 124.955 121.223 -0.038 0.000 2.456 353 L HA 0.157 4.497 4.340 0.000 0.000 0.272 353 L C -1.557 175.315 176.870 0.004 0.000 1.189 353 L CA -1.404 53.428 54.840 -0.013 0.000 0.846 353 L CB -0.081 41.980 42.059 0.003 0.000 1.111 353 L HN 0.180 nan 8.230 nan 0.000 0.475 354 P HA 0.130 nan 4.420 nan 0.000 0.269 354 P C -1.043 176.256 177.300 -0.001 0.000 1.215 354 P CA -0.310 62.834 63.100 0.075 0.000 0.780 354 P CB 0.929 32.704 31.700 0.125 0.000 0.898 355 R N 2.358 122.867 120.500 0.015 0.000 2.686 355 R HA 0.519 4.859 4.340 0.000 0.000 0.283 355 R C -2.728 173.557 176.300 -0.024 0.000 0.978 355 R CA -2.200 53.892 56.100 -0.013 0.000 0.897 355 R CB 1.622 31.927 30.300 0.009 0.000 1.192 355 R HN 0.232 nan 8.270 nan 0.000 0.457 356 P HA 0.098 nan 4.420 nan 0.000 0.271 356 P C -1.227 175.889 177.300 -0.307 0.000 1.220 356 P CA 0.051 63.029 63.100 -0.205 0.000 0.768 356 P CB 0.793 32.376 31.700 -0.194 0.000 0.848 357 E N 2.193 122.171 120.200 -0.370 0.000 2.238 357 E HA 0.254 4.604 4.350 0.000 0.000 0.267 357 E C -0.608 175.796 176.600 -0.327 0.000 0.887 357 E CA -0.395 55.852 56.400 -0.256 0.000 0.769 357 E CB 1.534 31.183 29.700 -0.084 0.000 1.187 357 E HN 0.438 nan 8.360 nan 0.000 0.416 358 Y N -0.185 120.245 120.300 0.216 0.000 2.707 358 Y HA 0.193 4.743 4.550 0.000 0.000 0.249 358 Y C 0.025 176.145 175.900 0.367 0.000 1.166 358 Y CA -0.433 57.863 58.100 0.325 0.000 1.184 358 Y CB 1.092 39.649 38.460 0.162 0.000 1.240 358 Y HN 0.270 nan 8.280 nan 0.000 0.547 359 D N 0.466 121.006 120.400 0.233 0.000 2.696 359 D HA 0.120 4.760 4.640 0.000 0.000 0.251 359 D C 0.566 176.606 176.300 -0.433 0.000 1.188 359 D CA -0.295 53.701 54.000 -0.007 0.000 0.876 359 D CB 2.104 42.889 40.800 -0.025 0.000 1.334 359 D HN 0.146 nan 8.370 nan 0.000 0.540 360 L N 4.424 125.105 121.223 -0.903 0.000 2.127 360 L HA -0.047 4.293 4.340 0.000 0.000 0.211 360 L C 1.885 178.380 176.870 -0.626 0.000 1.089 360 L CA 1.929 56.036 54.840 -1.222 0.000 0.757 360 L CB -0.495 40.690 42.059 -1.456 0.000 0.899 360 L HN 0.634 nan 8.230 nan 0.000 0.434 361 E N -0.745 119.187 120.200 -0.447 0.000 2.209 361 E HA -0.207 4.143 4.350 0.000 0.000 0.196 361 E C 1.773 178.141 176.600 -0.385 0.000 0.993 361 E CA 1.083 57.262 56.400 -0.369 0.000 0.819 361 E CB -0.100 29.393 29.700 -0.344 0.000 0.745 361 E HN 0.608 nan 8.360 nan 0.000 0.477 362 L N 0.711 121.727 121.223 -0.346 0.000 2.607 362 L HA 0.262 4.602 4.340 0.000 0.000 0.228 362 L C 0.324 177.086 176.870 -0.180 0.000 1.123 362 L CA -0.298 54.389 54.840 -0.256 0.000 0.890 362 L CB 0.343 42.295 42.059 -0.179 0.000 1.103 362 L HN 0.041 nan 8.230 nan 0.000 0.468 363 I N -0.064 120.370 120.570 -0.226 0.000 2.353 363 I HA 0.149 4.319 4.170 0.000 0.000 0.293 363 I C 0.071 176.109 176.117 -0.131 0.000 0.992 363 I CA 0.124 61.321 61.300 -0.171 0.000 1.268 363 I CB 1.663 39.532 38.000 -0.218 0.000 1.387 363 I HN -0.099 nan 8.210 nan 0.000 0.478 364 T N 4.414 118.920 114.554 -0.080 0.000 2.758 364 T HA 0.249 4.599 4.350 0.000 0.000 0.285 364 T C -0.242 174.431 174.700 -0.045 0.000 0.981 364 T CA -0.465 61.605 62.100 -0.049 0.000 0.965 364 T CB 1.097 69.950 68.868 -0.026 0.000 0.927 364 T HN 0.537 nan 8.240 nan 0.000 0.448 365 S N 2.029 117.704 115.700 -0.041 0.000 2.566 365 S HA 0.338 4.808 4.470 0.000 0.000 0.324 365 S C 0.500 175.075 174.600 -0.041 0.000 1.081 365 S CA -0.511 57.660 58.200 -0.049 0.000 1.105 365 S CB -0.428 62.738 63.200 -0.056 0.000 0.981 365 S HN 0.977 nan 8.310 nan 0.000 0.464 366 C N 3.967 123.241 119.300 -0.043 0.000 4.300 366 C HA -0.177 4.283 4.460 0.000 0.000 0.304 366 C C 1.314 176.321 174.990 0.029 0.000 1.367 366 C CA 0.690 59.694 59.018 -0.024 0.000 2.032 366 C CB -3.244 24.448 27.740 -0.079 0.000 1.285 366 C HN 1.367 nan 8.230 nan 0.000 0.737 367 S N -2.657 113.059 115.700 0.027 0.000 2.981 367 S HA -0.217 4.253 4.470 0.000 0.000 0.274 367 S C 0.363 174.992 174.600 0.047 0.000 1.297 367 S CA 1.450 59.672 58.200 0.035 0.000 1.266 367 S CB -0.980 62.248 63.200 0.047 0.000 1.542 367 S HN 1.028 nan 8.310 nan 0.000 0.674 368 S N 2.796 118.539 115.700 0.072 0.000 2.651 368 S HA 0.701 5.171 4.470 0.000 0.000 0.291 368 S C 0.072 174.698 174.600 0.042 0.000 1.141 368 S CA -0.760 57.510 58.200 0.116 0.000 1.027 368 S CB 1.211 64.543 63.200 0.221 0.000 1.043 368 S HN 0.635 nan 8.310 nan 0.000 0.530 369 N N -0.578 118.141 118.700 0.032 0.000 2.455 369 N HA 0.418 5.158 4.740 0.000 0.000 0.278 369 N C -1.588 173.874 175.510 -0.080 0.000 1.291 369 N CA -0.681 52.338 53.050 -0.052 0.000 0.780 369 N CB 0.925 39.361 38.487 -0.085 0.000 1.520 369 N HN 0.297 nan 8.380 nan 0.000 0.486 370 V N 0.375 120.195 119.914 -0.157 0.000 2.498 370 V HA 0.464 4.584 4.120 0.000 0.000 0.279 370 V C 0.417 176.349 176.094 -0.270 0.000 1.048 370 V CA -0.145 62.034 62.300 -0.202 0.000 0.967 370 V CB 0.801 32.506 31.823 -0.196 0.000 0.988 370 V HN 0.843 nan 8.190 nan 0.000 0.473 371 S N 3.054 118.469 115.700 -0.474 0.000 2.697 371 S HA 0.838 5.308 4.470 0.000 0.000 0.289 371 S C -1.248 173.006 174.600 -0.576 0.000 1.149 371 S CA -0.478 57.431 58.200 -0.486 0.000 0.850 371 S CB 2.102 65.037 63.200 -0.441 0.000 1.151 371 S HN 0.635 nan 8.310 nan 0.000 0.491 372 V N 0.858 120.602 119.914 -0.284 0.000 2.962 372 V HA 1.008 5.128 4.120 0.000 0.000 0.313 372 V C -0.411 175.674 176.094 -0.014 0.000 1.099 372 V CA 0.277 62.408 62.300 -0.282 0.000 0.971 372 V CB 1.519 33.032 31.823 -0.517 0.000 1.028 372 V HN 1.349 nan 8.190 nan 0.000 0.430 373 A N 4.580 127.342 122.820 -0.097 0.000 2.534 373 A HA 0.886 5.206 4.320 0.000 0.000 0.300 373 A C -1.894 175.480 177.584 -0.350 0.000 1.223 373 A CA -0.762 51.112 52.037 -0.272 0.000 0.666 373 A CB 1.291 19.956 19.000 -0.557 0.000 1.316 373 A HN 0.837 nan 8.150 nan 0.000 0.468 374 L N 1.202 122.125 121.223 -0.500 0.000 2.334 374 L HA 0.470 4.810 4.340 0.000 0.000 0.273 374 L C -0.400 176.127 176.870 -0.571 0.000 1.013 374 L CA -0.950 53.586 54.840 -0.508 0.000 0.816 374 L CB 1.761 43.478 42.059 -0.569 0.000 1.278 374 L HN 0.968 nan 8.230 nan 0.000 0.431 375 D N -0.354 119.871 120.400 -0.292 0.000 2.511 375 D HA 0.101 4.741 4.640 0.000 0.000 0.276 375 D C 1.009 177.315 176.300 0.009 0.000 1.220 375 D CA -0.259 53.651 54.000 -0.151 0.000 1.077 375 D CB 0.622 41.372 40.800 -0.084 0.000 1.126 375 D HN 0.455 nan 8.370 nan 0.000 0.583 376 S N -1.118 114.628 115.700 0.077 0.000 2.474 376 S HA -0.113 4.357 4.470 0.000 0.000 0.235 376 S C 1.407 176.060 174.600 0.088 0.000 0.997 376 S CA 0.355 58.630 58.200 0.124 0.000 0.949 376 S CB -0.404 62.842 63.200 0.077 0.000 0.766 376 S HN 0.475 nan 8.310 nan 0.000 0.517 377 R N 0.630 121.161 120.500 0.053 0.000 2.334 377 R HA 0.342 4.682 4.340 0.000 0.000 0.220 377 R C 1.440 177.761 176.300 0.035 0.000 0.917 377 R CA 0.384 56.506 56.100 0.037 0.000 1.073 377 R CB -0.077 30.236 30.300 0.022 0.000 1.056 377 R HN 0.540 nan 8.270 nan 0.000 0.506 378 G N 1.863 110.691 108.800 0.047 0.000 2.162 378 G HA2 -0.373 3.587 3.960 0.000 0.000 0.260 378 G HA3 -0.373 3.587 3.960 0.000 0.000 0.260 378 G C 0.093 174.979 174.900 -0.024 0.000 0.976 378 G CA 0.292 45.408 45.100 0.026 0.000 0.655 378 G HN 0.418 nan 8.290 nan 0.000 0.533 379 R N 0.494 120.972 120.500 -0.037 0.000 2.441 379 R HA 0.540 4.880 4.340 0.000 0.000 0.284 379 R C 0.618 176.859 176.300 -0.098 0.000 1.070 379 R CA -0.700 55.373 56.100 -0.045 0.000 1.047 379 R CB 0.398 30.685 30.300 -0.022 0.000 1.016 379 R HN 0.323 nan 8.270 nan 0.000 0.477 380 R N 2.870 123.308 120.500 -0.103 0.000 2.491 380 R HA 0.193 4.533 4.340 0.000 0.000 0.283 380 R C -0.345 175.834 176.300 -0.202 0.000 1.072 380 R CA -0.083 55.899 56.100 -0.197 0.000 1.048 380 R CB 0.598 30.768 30.300 -0.218 0.000 0.983 380 R HN 0.398 nan 8.270 nan 0.000 0.450 381 R N 2.764 123.096 120.500 -0.280 0.000 2.575 381 R HA 0.287 4.627 4.340 0.000 0.000 0.293 381 R C -1.189 174.996 176.300 -0.192 0.000 0.983 381 R CA -0.961 55.052 56.100 -0.145 0.000 0.887 381 R CB 1.349 31.608 30.300 -0.067 0.000 1.184 381 R HN 0.530 nan 8.270 nan 0.000 0.445 382 Y N 2.732 123.075 120.300 0.073 0.000 2.387 382 Y HA 0.617 5.167 4.550 0.000 0.000 0.330 382 Y C 0.410 176.383 175.900 0.120 0.000 1.133 382 Y CA -0.619 57.487 58.100 0.011 0.000 1.152 382 Y CB 1.280 39.694 38.460 -0.077 0.000 1.215 382 Y HN 0.534 nan 8.280 nan 0.000 0.466 383 F N -0.341 119.689 119.950 0.134 0.000 2.713 383 F HA 0.630 5.157 4.527 0.000 0.000 0.311 383 F C -2.229 173.642 175.800 0.118 0.000 1.141 383 F CA -1.509 56.548 58.000 0.095 0.000 0.939 383 F CB 0.712 39.730 39.000 0.029 0.000 1.325 383 F HN 0.256 nan 8.300 nan 0.000 0.453 384 L N 1.785 123.141 121.223 0.222 0.000 2.326 384 L HA 0.756 5.096 4.340 0.000 0.000 0.278 384 L C 0.056 177.208 176.870 0.469 0.000 1.092 384 L CA 0.556 55.534 54.840 0.231 0.000 0.810 384 L CB 1.380 43.588 42.059 0.248 0.000 1.153 384 L HN 1.010 nan 8.230 nan 0.000 0.439 385 T N 4.125 118.892 114.554 0.355 0.000 2.754 385 T HA 0.846 5.196 4.350 0.000 0.000 0.296 385 T C -1.141 173.637 174.700 0.131 0.000 1.205 385 T CA -0.599 61.720 62.100 0.365 0.000 1.009 385 T CB 1.174 70.298 68.868 0.428 0.000 1.368 385 T HN 0.844 nan 8.240 nan 0.000 0.509 386 R N 0.500 120.986 120.500 -0.023 0.000 2.747 386 R HA 0.515 4.855 4.340 0.000 0.000 0.272 386 R C -1.432 174.700 176.300 -0.280 0.000 1.032 386 R CA -1.020 54.990 56.100 -0.150 0.000 0.896 386 R CB 0.397 30.544 30.300 -0.255 0.000 1.253 386 R HN 0.525 nan 8.270 nan 0.000 0.461 387 D N 1.331 121.569 120.400 -0.270 0.000 2.417 387 D HA 0.077 4.717 4.640 0.000 0.000 0.250 387 D C -1.448 174.485 176.300 -0.613 0.000 1.166 387 D CA -1.458 52.327 54.000 -0.357 0.000 0.881 387 D CB 1.354 42.032 40.800 -0.202 0.000 1.164 387 D HN 0.326 nan 8.370 nan 0.000 0.467 388 P HA 0.027 nan 4.420 nan 0.000 0.249 388 P C 1.140 178.122 177.300 -0.529 0.000 1.229 388 P CA 0.129 62.534 63.100 -1.158 0.000 0.788 388 P CB 0.341 31.223 31.700 -1.363 0.000 1.072 389 T N -0.264 114.091 114.554 -0.330 0.000 2.622 389 T HA -0.127 4.223 4.350 0.000 0.000 0.266 389 T C 1.751 176.387 174.700 -0.106 0.000 1.047 389 T CA 2.345 64.348 62.100 -0.162 0.000 1.159 389 T CB -1.116 67.695 68.868 -0.095 0.000 0.863 389 T HN 0.180 nan 8.240 nan 0.000 0.422 390 T N 2.207 116.705 114.554 -0.094 0.000 2.777 390 T HA -0.034 4.316 4.350 0.000 0.000 0.266 390 T C -0.608 174.062 174.700 -0.050 0.000 1.040 390 T CA 1.053 63.123 62.100 -0.050 0.000 1.141 390 T CB -1.200 67.664 68.868 -0.007 0.000 0.868 390 T HN 0.324 nan 8.240 nan 0.000 0.444 391 P HA -0.029 nan 4.420 nan 0.000 0.216 391 P C 1.386 178.744 177.300 0.096 0.000 1.153 391 P CA 1.053 64.185 63.100 0.053 0.000 0.858 391 P CB -0.148 31.584 31.700 0.054 0.000 0.789 392 I N -1.671 118.904 120.570 0.008 0.000 2.353 392 I HA -0.174 3.996 4.170 0.000 0.000 0.248 392 I C 2.080 178.231 176.117 0.056 0.000 1.119 392 I CA 1.392 62.711 61.300 0.032 0.000 1.417 392 I CB -0.956 37.018 38.000 -0.044 0.000 1.078 392 I HN -0.026 nan 8.210 nan 0.000 0.421 393 T N 0.554 115.132 114.554 0.041 0.000 2.720 393 T HA -0.174 4.176 4.350 0.000 0.000 0.268 393 T C 2.034 176.806 174.700 0.120 0.000 1.037 393 T CA 1.360 63.505 62.100 0.074 0.000 1.144 393 T CB -0.214 68.677 68.868 0.039 0.000 0.864 393 T HN 0.289 nan 8.240 nan 0.000 0.444 394 R N 0.713 121.264 120.500 0.085 0.000 2.115 394 R HA 0.115 4.455 4.340 0.000 0.000 0.230 394 R C 2.808 179.282 176.300 0.289 0.000 1.111 394 R CA 1.007 57.183 56.100 0.127 0.000 0.976 394 R CB -0.385 29.939 30.300 0.039 0.000 0.870 394 R HN 0.348 nan 8.270 nan 0.000 0.445 395 A N 1.345 124.353 122.820 0.314 0.000 1.908 395 A HA -0.152 4.168 4.320 0.000 0.000 0.218 395 A C 2.358 180.141 177.584 0.332 0.000 1.181 395 A CA 1.791 54.108 52.037 0.467 0.000 0.627 395 A CB -0.610 18.650 19.000 0.433 0.000 0.818 395 A HN 0.393 nan 8.150 nan 0.000 0.445 396 A N -1.388 121.542 122.820 0.184 0.000 1.898 396 A HA -0.165 4.155 4.320 0.000 0.000 0.216 396 A C 2.107 179.819 177.584 0.214 0.000 1.181 396 A CA 1.377 53.489 52.037 0.125 0.000 0.620 396 A CB -0.881 18.175 19.000 0.093 0.000 0.819 396 A HN 0.839 nan 8.150 nan 0.000 0.442 397 W N 1.143 122.500 121.300 0.096 0.000 2.335 397 W HA -0.162 4.498 4.660 0.000 0.000 0.311 397 W C 1.589 178.189 176.519 0.136 0.000 1.213 397 W CA 2.010 59.411 57.345 0.094 0.000 1.274 397 W CB -0.357 29.140 29.460 0.060 0.000 1.148 397 W HN 0.549 nan 8.180 nan 0.000 0.498 398 E N -0.726 119.778 120.200 0.508 0.000 2.418 398 E HA -0.122 4.228 4.350 0.000 0.000 0.197 398 E C 1.957 178.780 176.600 0.372 0.000 1.026 398 E CA 1.368 58.049 56.400 0.468 0.000 0.862 398 E CB -0.098 29.925 29.700 0.538 0.000 0.799 398 E HN 0.111 nan 8.360 nan 0.000 0.518 399 T N 0.253 114.984 114.554 0.295 0.000 2.857 399 T HA -0.096 4.254 4.350 0.000 0.000 0.266 399 T C 2.043 176.786 174.700 0.072 0.000 1.048 399 T CA 1.389 63.604 62.100 0.192 0.000 1.139 399 T CB 0.125 69.095 68.868 0.170 0.000 0.874 399 T HN 0.200 nan 8.240 nan 0.000 0.455 400 V N -2.171 117.750 119.914 0.011 0.000 3.431 400 V HA 0.429 4.549 4.120 0.000 0.000 0.253 400 V C 0.528 176.565 176.094 -0.095 0.000 1.184 400 V CA -0.015 62.238 62.300 -0.078 0.000 1.104 400 V CB -0.056 31.681 31.823 -0.142 0.000 0.799 400 V HN 0.058 nan 8.190 nan 0.000 0.462 401 R N 0.848 121.311 120.500 -0.063 0.000 2.422 401 R HA 0.417 4.757 4.340 0.000 0.000 0.307 401 R C -0.759 175.675 176.300 0.223 0.000 1.004 401 R CA -0.440 55.669 56.100 0.016 0.000 0.882 401 R CB 0.434 30.674 30.300 -0.101 0.000 1.164 401 R HN 0.592 nan 8.270 nan 0.000 0.489 402 H N 1.287 120.417 119.070 0.100 0.000 3.001 402 H HA 0.055 4.611 4.556 0.000 0.000 0.334 402 H C -0.185 175.217 175.328 0.123 0.000 1.034 402 H CA 0.528 56.649 56.048 0.121 0.000 1.420 402 H CB 0.758 30.567 29.762 0.078 0.000 1.405 402 H HN 0.489 nan 8.280 nan 0.000 0.593 403 S N 5.072 120.868 115.700 0.161 0.000 2.500 403 S HA 0.164 4.634 4.470 0.000 0.000 0.301 403 S C -1.914 172.597 174.600 -0.149 0.000 1.092 403 S CA -1.466 56.751 58.200 0.029 0.000 1.030 403 S CB 2.003 65.262 63.200 0.099 0.000 1.031 403 S HN 0.565 nan 8.310 nan 0.000 0.483 404 P HA 0.016 nan 4.420 nan 0.000 0.220 404 P C -0.346 176.881 177.300 -0.122 0.000 1.148 404 P CA 0.735 63.640 63.100 -0.325 0.000 0.803 404 P CB 0.094 31.441 31.700 -0.588 0.000 0.782 405 V N 1.085 120.960 119.914 -0.066 0.000 2.447 405 V HA 0.200 4.320 4.120 0.000 0.000 0.292 405 V C -0.206 175.880 176.094 -0.014 0.000 1.021 405 V CA -0.779 61.508 62.300 -0.021 0.000 0.850 405 V CB 1.430 33.242 31.823 -0.019 0.000 1.005 405 V HN -0.004 nan 8.190 nan 0.000 0.426 406 N N 3.221 121.891 118.700 -0.050 0.000 2.807 406 N HA 0.031 4.771 4.740 0.000 0.000 0.259 406 N C 1.543 176.861 175.510 -0.320 0.000 1.149 406 N CA 0.283 53.227 53.050 -0.178 0.000 1.042 406 N CB 1.397 39.585 38.487 -0.498 0.000 1.367 406 N HN 0.830 nan 8.380 nan 0.000 0.516 407 S N 1.580 117.240 115.700 -0.066 0.000 2.423 407 S HA -0.158 4.312 4.470 0.000 0.000 0.238 407 S C 1.795 176.389 174.600 -0.010 0.000 1.028 407 S CA 0.520 58.724 58.200 0.006 0.000 1.000 407 S CB -0.446 62.800 63.200 0.077 0.000 0.797 407 S HN 0.787 nan 8.310 nan 0.000 0.487 408 W N 0.839 122.109 121.300 -0.049 0.000 2.402 408 W HA 0.072 4.732 4.660 0.000 0.000 0.286 408 W C 1.659 178.066 176.519 -0.186 0.000 1.221 408 W CA 0.304 57.575 57.345 -0.124 0.000 1.257 408 W CB -1.010 28.180 29.460 -0.451 0.000 1.120 408 W HN 0.353 nan 8.180 nan 0.000 0.551 409 L N 2.804 123.411 121.223 -1.027 0.000 2.109 409 L HA 0.204 4.544 4.340 0.000 0.000 0.207 409 L C 2.603 179.015 176.870 -0.765 0.000 1.086 409 L CA 2.502 56.711 54.840 -1.052 0.000 0.760 409 L CB -1.374 39.767 42.059 -1.530 0.000 0.910 409 L HN 0.036 nan 8.230 nan 0.000 0.437 410 G N -0.549 107.949 108.800 -0.503 0.000 2.422 410 G HA2 -0.291 3.669 3.960 0.000 0.000 0.218 410 G HA3 -0.291 3.669 3.960 0.000 0.000 0.218 410 G C 1.456 176.366 174.900 0.017 0.000 1.146 410 G CA 0.732 45.776 45.100 -0.093 0.000 0.769 410 G HN 0.443 nan 8.290 nan 0.000 0.547 411 N N 0.575 119.340 118.700 0.108 0.000 2.244 411 N HA -0.010 4.730 4.740 0.000 0.000 0.183 411 N C 2.256 177.868 175.510 0.169 0.000 1.016 411 N CA 0.588 53.820 53.050 0.303 0.000 0.866 411 N CB -0.113 38.650 38.487 0.461 0.000 0.980 411 N HN 0.342 nan 8.380 nan 0.000 0.430 412 I N 1.044 121.658 120.570 0.073 0.000 2.163 412 I HA -0.249 3.921 4.170 0.000 0.000 0.243 412 I C 2.084 178.207 176.117 0.009 0.000 1.085 412 I CA 1.105 62.428 61.300 0.040 0.000 1.347 412 I CB -0.198 37.864 38.000 0.102 0.000 1.044 412 I HN 0.034 nan 8.210 nan 0.000 0.408 413 I N 0.073 120.629 120.570 -0.024 0.000 2.202 413 I HA -0.281 3.890 4.170 0.000 0.000 0.242 413 I C 2.634 178.849 176.117 0.164 0.000 1.091 413 I CA 1.380 62.719 61.300 0.065 0.000 1.368 413 I CB -0.322 37.684 38.000 0.010 0.000 1.058 413 I HN 0.279 nan 8.210 nan 0.000 0.410 414 Q N -0.321 119.498 119.800 0.032 0.000 2.119 414 Q HA -0.157 4.183 4.340 0.000 0.000 0.201 414 Q C 0.652 176.479 176.000 -0.288 0.000 0.972 414 Q CA 1.415 57.146 55.803 -0.120 0.000 0.847 414 Q CB 0.145 28.627 28.738 -0.427 0.000 0.903 414 Q HN 0.517 nan 8.270 nan 0.000 0.433 415 Y N -1.455 118.847 120.300 0.004 0.000 2.720 415 Y HA 0.380 4.931 4.550 0.000 0.000 0.268 415 Y C 1.195 176.842 175.900 -0.420 0.000 1.142 415 Y CA -0.314 57.678 58.100 -0.179 0.000 1.193 415 Y CB -0.139 38.193 38.460 -0.212 0.000 1.176 415 Y HN 0.056 nan 8.280 nan 0.000 0.542 416 A N 1.012 123.637 122.820 -0.324 0.000 1.917 416 A HA -0.168 4.152 4.320 0.000 0.000 0.219 416 A C -0.379 176.946 177.584 -0.432 0.000 1.182 416 A CA 1.763 53.596 52.037 -0.340 0.000 0.633 416 A CB -1.379 17.488 19.000 -0.221 0.000 0.819 416 A HN 0.275 nan 8.150 nan 0.000 0.448 417 P HA 0.032 nan 4.420 nan 0.000 0.237 417 P C 0.580 177.547 177.300 -0.555 0.000 1.178 417 P CA 1.145 63.925 63.100 -0.533 0.000 0.766 417 P CB -0.379 30.971 31.700 -0.582 0.000 0.876 418 T N -3.037 111.202 114.554 -0.525 0.000 2.899 418 T HA 0.178 4.528 4.350 0.000 0.000 0.295 418 T C 1.236 175.546 174.700 -0.651 0.000 1.033 418 T CA -0.581 61.188 62.100 -0.552 0.000 1.084 418 T CB 0.596 69.057 68.868 -0.679 0.000 0.979 418 T HN -0.126 nan 8.240 nan 0.000 0.532 419 I N 1.395 121.498 120.570 -0.777 0.000 2.394 419 I HA -0.049 4.121 4.170 0.000 0.000 0.251 419 I C 2.060 177.901 176.117 -0.459 0.000 1.136 419 I CA 1.060 61.928 61.300 -0.718 0.000 1.425 419 I CB -0.120 37.310 38.000 -0.950 0.000 1.079 419 I HN 0.866 nan 8.210 nan 0.000 0.425 420 W N -0.327 120.759 121.300 -0.357 0.000 2.453 420 W HA -0.011 4.649 4.660 0.000 0.000 0.289 420 W C 1.825 178.205 176.519 -0.233 0.000 1.215 420 W CA 0.500 57.670 57.345 -0.292 0.000 1.297 420 W CB -1.514 27.806 29.460 -0.234 0.000 1.113 420 W HN -0.084 nan 8.180 nan 0.000 0.551 421 V N 2.378 121.839 119.914 -0.755 0.000 2.379 421 V HA -0.227 3.893 4.120 0.000 0.000 0.245 421 V C 2.835 178.769 176.094 -0.266 0.000 1.044 421 V CA 2.134 64.139 62.300 -0.491 0.000 1.036 421 V CB -0.702 30.744 31.823 -0.629 0.000 0.664 421 V HN 0.062 nan 8.190 nan 0.000 0.453 422 R N -0.818 119.459 120.500 -0.373 0.000 2.090 422 R HA -0.005 4.335 4.340 0.000 0.000 0.228 422 R C 2.237 178.350 176.300 -0.312 0.000 1.110 422 R CA 1.438 57.344 56.100 -0.323 0.000 0.973 422 R CB -0.223 29.773 30.300 -0.507 0.000 0.869 422 R HN 0.429 nan 8.270 nan 0.000 0.440 423 M N -0.701 118.606 119.600 -0.487 0.000 2.357 423 M HA -0.027 4.453 4.480 0.000 0.000 0.266 423 M C 1.782 177.999 176.300 -0.139 0.000 1.095 423 M CA 0.969 56.031 55.300 -0.396 0.000 1.156 423 M CB 0.534 32.818 32.600 -0.526 0.000 1.365 423 M HN -0.022 nan 8.290 nan 0.000 0.447 424 V N -0.179 119.502 119.914 -0.389 0.000 2.602 424 V HA -0.007 4.113 4.120 0.000 0.000 0.235 424 V C 2.045 177.925 176.094 -0.358 0.000 1.087 424 V CA 0.739 62.525 62.300 -0.857 0.000 1.117 424 V CB -0.218 31.050 31.823 -0.924 0.000 0.820 424 V HN 0.297 nan 8.190 nan 0.000 0.490 425 I N -0.201 120.335 120.570 -0.057 0.000 2.202 425 I HA -0.274 3.896 4.170 0.000 0.000 0.242 425 I C 2.558 178.912 176.117 0.394 0.000 1.091 425 I CA 1.892 63.326 61.300 0.224 0.000 1.368 425 I CB -0.275 37.912 38.000 0.312 0.000 1.058 425 I HN 0.287 nan 8.210 nan 0.000 0.410 426 M N 0.039 119.853 119.600 0.358 0.000 2.117 426 M HA -0.178 4.302 4.480 0.000 0.000 0.262 426 M C 2.377 179.135 176.300 0.763 0.000 1.065 426 M CA 1.993 57.632 55.300 0.566 0.000 1.114 426 M CB -0.578 32.238 32.600 0.361 0.000 1.361 426 M HN 0.248 nan 8.290 nan 0.000 0.408 427 T N -1.397 113.564 114.554 0.679 0.000 2.708 427 T HA -0.225 4.125 4.350 0.000 0.000 0.266 427 T C 1.606 176.567 174.700 0.434 0.000 1.037 427 T CA 1.871 64.347 62.100 0.625 0.000 1.146 427 T CB -0.537 68.749 68.868 0.696 0.000 0.865 427 T HN 0.484 nan 8.240 nan 0.000 0.435 428 H N 0.324 119.541 119.070 0.245 0.000 2.293 428 H HA -0.002 4.554 4.556 0.000 0.000 0.300 428 H C 1.689 176.876 175.328 -0.236 0.000 1.082 428 H CA 1.587 57.634 56.048 -0.002 0.000 1.308 428 H CB -0.422 29.221 29.762 -0.199 0.000 1.375 428 H HN 0.351 nan 8.280 nan 0.000 0.495 429 F N -1.279 118.618 119.950 -0.087 0.000 2.367 429 F HA 0.039 4.566 4.527 0.000 0.000 0.298 429 F C 1.790 177.424 175.800 -0.276 0.000 1.094 429 F CA 0.344 58.105 58.000 -0.398 0.000 1.409 429 F CB -0.362 38.146 39.000 -0.820 0.000 1.064 429 F HN 0.146 nan 8.300 nan 0.000 0.528 430 F N -0.651 119.403 119.950 0.173 0.000 2.259 430 F HA -0.159 4.368 4.527 0.000 0.000 0.298 430 F C 2.713 178.533 175.800 0.033 0.000 1.088 430 F CA 1.381 59.480 58.000 0.165 0.000 1.358 430 F CB -0.869 38.316 39.000 0.307 0.000 1.040 430 F HN -0.140 nan 8.300 nan 0.000 0.505 431 S N 0.301 116.062 115.700 0.101 0.000 2.370 431 S HA -0.174 4.296 4.470 0.000 0.000 0.226 431 S C 2.134 176.681 174.600 -0.089 0.000 1.033 431 S CA 1.381 59.569 58.200 -0.020 0.000 1.011 431 S CB -0.424 62.744 63.200 -0.054 0.000 0.852 431 S HN 0.309 nan 8.310 nan 0.000 0.457 432 I N 1.036 121.494 120.570 -0.187 0.000 2.252 432 I HA -0.152 4.018 4.170 0.000 0.000 0.245 432 I C 2.090 178.157 176.117 -0.082 0.000 1.102 432 I CA 0.959 62.148 61.300 -0.184 0.000 1.385 432 I CB -0.336 37.484 38.000 -0.300 0.000 1.064 432 I HN 0.291 nan 8.210 nan 0.000 0.414 433 L N 0.174 121.361 121.223 -0.059 0.000 2.083 433 L HA -0.210 4.130 4.340 0.000 0.000 0.209 433 L C 2.513 179.399 176.870 0.025 0.000 1.083 433 L CA 1.241 56.074 54.840 -0.012 0.000 0.752 433 L CB -0.505 41.520 42.059 -0.056 0.000 0.899 433 L HN 0.262 nan 8.230 nan 0.000 0.433 434 L N -0.400 120.847 121.223 0.040 0.000 2.093 434 L HA -0.168 4.172 4.340 0.000 0.000 0.208 434 L C 2.818 179.695 176.870 0.012 0.000 1.085 434 L CA 1.143 56.009 54.840 0.044 0.000 0.755 434 L CB -0.600 41.489 42.059 0.051 0.000 0.904 434 L HN 0.230 nan 8.230 nan 0.000 0.435 435 A N -0.662 122.151 122.820 -0.012 0.000 1.929 435 A HA -0.173 4.147 4.320 0.000 0.000 0.216 435 A C 2.121 179.696 177.584 -0.016 0.000 1.176 435 A CA 1.091 53.114 52.037 -0.023 0.000 0.628 435 A CB -0.265 18.707 19.000 -0.047 0.000 0.816 435 A HN 0.490 nan 8.150 nan 0.000 0.444 436 Q N -1.487 118.306 119.800 -0.011 0.000 2.425 436 Q HA 0.055 4.395 4.340 0.000 0.000 0.204 436 Q C -0.207 175.804 176.000 0.019 0.000 0.933 436 Q CA 0.382 56.185 55.803 0.000 0.000 0.939 436 Q CB 0.173 28.913 28.738 0.004 0.000 1.044 436 Q HN 0.592 nan 8.270 nan 0.000 0.513 437 D N 0.482 120.897 120.400 0.025 0.000 2.746 437 D HA -0.131 4.509 4.640 0.000 0.000 0.236 437 D C -0.319 176.010 176.300 0.049 0.000 1.129 437 D CA 1.353 55.375 54.000 0.036 0.000 0.691 437 D CB -1.006 39.811 40.800 0.028 0.000 1.077 437 D HN 0.439 nan 8.370 nan 0.000 0.432 438 T N -3.407 111.181 114.554 0.057 0.000 3.296 438 T HA 0.232 4.582 4.350 0.000 0.000 0.285 438 T C 1.581 176.330 174.700 0.082 0.000 1.014 438 T CA -0.597 61.546 62.100 0.073 0.000 0.920 438 T CB 0.167 69.087 68.868 0.087 0.000 1.143 438 T HN 0.040 nan 8.240 nan 0.000 0.522 439 L N 1.901 123.174 121.223 0.083 0.000 2.081 439 L HA 0.091 4.431 4.340 0.000 0.000 0.212 439 L C 1.744 178.677 176.870 0.105 0.000 1.080 439 L CA 1.491 56.392 54.840 0.102 0.000 0.754 439 L CB -1.102 41.039 42.059 0.137 0.000 0.893 439 L HN 0.406 nan 8.230 nan 0.000 0.433 440 N N 0.046 118.802 118.700 0.093 0.000 2.455 440 N HA 0.026 4.766 4.740 0.000 0.000 0.258 440 N C -0.233 175.328 175.510 0.085 0.000 1.158 440 N CA 0.039 53.142 53.050 0.087 0.000 0.893 440 N CB 0.018 38.549 38.487 0.073 0.000 1.173 440 N HN 0.443 nan 8.380 nan 0.000 0.503 441 Q N 0.359 120.215 119.800 0.094 0.000 2.337 441 Q HA 0.340 4.680 4.340 0.000 0.000 0.270 441 Q C -1.284 174.779 176.000 0.105 0.000 1.043 441 Q CA -0.769 55.092 55.803 0.096 0.000 0.794 441 Q CB 1.009 29.808 28.738 0.101 0.000 1.281 441 Q HN 0.052 nan 8.270 nan 0.000 0.446 442 N N 2.744 121.506 118.700 0.103 0.000 2.518 442 N HA 0.333 5.073 4.740 0.000 0.000 0.266 442 N C -1.174 174.406 175.510 0.117 0.000 1.196 442 N CA 0.363 53.481 53.050 0.113 0.000 0.947 442 N CB 0.602 39.158 38.487 0.115 0.000 1.098 442 N HN 0.475 nan 8.380 nan 0.000 0.450 443 L N 1.890 123.186 121.223 0.122 0.000 2.401 443 L HA 0.461 4.801 4.340 0.000 0.000 0.266 443 L C -0.534 176.432 176.870 0.160 0.000 0.991 443 L CA -1.057 53.846 54.840 0.106 0.000 0.818 443 L CB 1.771 43.854 42.059 0.041 0.000 1.321 443 L HN 0.442 nan 8.230 nan 0.000 0.413 444 N N 2.874 121.653 118.700 0.131 0.000 2.479 444 N HA 0.602 5.342 4.740 0.000 0.000 0.285 444 N C -0.970 174.612 175.510 0.120 0.000 1.075 444 N CA -0.028 53.093 53.050 0.118 0.000 0.967 444 N CB 1.579 40.130 38.487 0.108 0.000 1.137 444 N HN 0.409 nan 8.380 nan 0.000 0.472 445 F N -1.773 118.120 119.950 -0.095 0.000 2.662 445 F HA 0.560 5.087 4.527 0.000 0.000 0.312 445 F C -0.359 175.404 175.800 -0.063 0.000 1.113 445 F CA -1.155 56.759 58.000 -0.143 0.000 0.951 445 F CB 1.410 40.251 39.000 -0.265 0.000 1.344 445 F HN 0.140 nan 8.300 nan 0.000 0.462 446 E N 2.432 122.619 120.200 -0.021 0.000 2.231 446 E HA 0.578 4.928 4.350 0.000 0.000 0.277 446 E C -1.122 175.548 176.600 0.117 0.000 0.999 446 E CA -1.002 55.379 56.400 -0.031 0.000 0.827 446 E CB 2.109 31.810 29.700 0.002 0.000 1.101 446 E HN 0.760 nan 8.360 nan 0.000 0.393 447 M N 2.715 122.393 119.600 0.129 0.000 2.373 447 M HA 0.137 4.617 4.480 0.000 0.000 0.290 447 M C -1.535 174.995 176.300 0.384 0.000 1.143 447 M CA -0.476 54.976 55.300 0.254 0.000 0.949 447 M CB 1.011 33.698 32.600 0.145 0.000 1.756 447 M HN 0.613 nan 8.290 nan 0.000 0.494 448 Y N 2.521 122.919 120.300 0.163 0.000 3.054 448 Y HA -0.136 4.414 4.550 0.000 0.000 0.210 448 Y C 1.180 177.072 175.900 -0.012 0.000 1.212 448 Y CA 2.117 60.329 58.100 0.187 0.000 1.118 448 Y CB -2.298 36.349 38.460 0.312 0.000 1.292 448 Y HN 1.182 nan 8.280 nan 0.000 0.533 449 G N -1.637 107.213 108.800 0.083 0.000 2.179 449 G HA2 0.087 4.048 3.960 0.000 0.000 0.257 449 G HA3 0.087 4.048 3.960 0.000 0.000 0.257 449 G C 0.285 175.095 174.900 -0.149 0.000 1.010 449 G CA 0.408 45.460 45.100 -0.080 0.000 0.736 449 G HN 1.622 nan 8.290 nan 0.000 0.513 450 A N -1.779 120.940 122.820 -0.168 0.000 2.564 450 A HA 0.925 5.245 4.320 0.000 0.000 0.288 450 A C -0.571 176.694 177.584 -0.532 0.000 1.164 450 A CA -0.158 51.609 52.037 -0.451 0.000 0.712 450 A CB 1.916 20.435 19.000 -0.802 0.000 1.303 450 A HN 1.231 nan 8.150 nan 0.000 0.418 451 V N 0.535 120.012 119.914 -0.728 0.000 2.513 451 V HA 0.588 4.708 4.120 0.000 0.000 0.299 451 V C -1.117 174.394 176.094 -0.971 0.000 1.035 451 V CA -0.210 61.752 62.300 -0.564 0.000 0.889 451 V CB 0.971 32.672 31.823 -0.203 0.000 0.988 451 V HN 0.790 nan 8.190 nan 0.000 0.440 452 Y N 1.280 121.008 120.300 -0.952 0.000 2.633 452 Y HA 0.696 5.246 4.550 0.000 0.000 0.339 452 Y C 0.325 175.808 175.900 -0.694 0.000 1.045 452 Y CA -0.795 56.654 58.100 -1.086 0.000 1.098 452 Y CB 2.293 39.761 38.460 -1.653 0.000 1.296 452 Y HN 0.511 nan 8.280 nan 0.000 0.494 453 S N 0.876 116.455 115.700 -0.201 0.000 2.614 453 S HA 0.813 5.283 4.470 0.000 0.000 0.288 453 S C -1.918 172.834 174.600 0.253 0.000 1.137 453 S CA -0.419 57.834 58.200 0.089 0.000 0.992 453 S CB 0.800 64.061 63.200 0.103 0.000 1.026 453 S HN 0.443 nan 8.310 nan 0.000 0.486 454 V N 4.795 124.900 119.914 0.317 0.000 2.971 454 V HA 0.519 4.639 4.120 0.000 0.000 0.309 454 V C -0.631 175.562 176.094 0.164 0.000 1.130 454 V CA -1.080 61.385 62.300 0.275 0.000 0.964 454 V CB 2.327 34.346 31.823 0.326 0.000 1.029 454 V HN 0.895 nan 8.190 nan 0.000 0.427 455 N N 4.084 122.870 118.700 0.143 0.000 2.419 455 N HA 0.310 5.050 4.740 0.000 0.000 0.264 455 N C -1.969 173.612 175.510 0.118 0.000 1.031 455 N CA -1.639 51.481 53.050 0.118 0.000 0.951 455 N CB 2.342 40.895 38.487 0.109 0.000 1.101 455 N HN 0.262 nan 8.380 nan 0.000 0.488 456 P HA -0.101 nan 4.420 nan 0.000 0.217 456 P C 1.238 178.680 177.300 0.237 0.000 1.148 456 P CA 1.087 64.274 63.100 0.144 0.000 0.828 456 P CB 0.310 32.049 31.700 0.065 0.000 0.783 457 L N -1.133 120.205 121.223 0.192 0.000 2.465 457 L HA -0.088 4.252 4.340 0.000 0.000 0.224 457 L C 1.208 178.155 176.870 0.128 0.000 1.145 457 L CA 1.029 55.978 54.840 0.182 0.000 0.834 457 L CB -0.596 41.545 42.059 0.136 0.000 0.944 457 L HN -0.048 nan 8.230 nan 0.000 0.451 458 D N -0.410 120.062 120.400 0.120 0.000 2.339 458 D HA 0.037 4.677 4.640 0.000 0.000 0.217 458 D C 2.210 178.572 176.300 0.104 0.000 1.050 458 D CA 0.246 54.298 54.000 0.086 0.000 0.856 458 D CB 0.342 41.191 40.800 0.081 0.000 0.922 458 D HN 0.268 nan 8.370 nan 0.000 0.518 459 L N 1.078 122.396 121.223 0.158 0.000 2.013 459 L HA -0.171 4.169 4.340 0.000 0.000 0.212 459 L C -0.428 176.543 176.870 0.170 0.000 1.073 459 L CA 1.642 56.591 54.840 0.182 0.000 0.753 459 L CB -1.535 40.688 42.059 0.273 0.000 0.890 459 L HN 0.053 nan 8.230 nan 0.000 0.432 460 P HA -0.208 nan 4.420 nan 0.000 0.216 460 P C 1.396 178.777 177.300 0.136 0.000 1.153 460 P CA 1.984 65.141 63.100 0.095 0.000 0.858 460 P CB -0.037 31.547 31.700 -0.193 0.000 0.789 461 A N -1.084 121.754 122.820 0.031 0.000 1.930 461 A HA -0.137 4.183 4.320 0.000 0.000 0.217 461 A C 2.221 179.824 177.584 0.031 0.000 1.175 461 A CA 1.277 53.321 52.037 0.012 0.000 0.627 461 A CB -1.556 17.427 19.000 -0.028 0.000 0.815 461 A HN 0.104 nan 8.150 nan 0.000 0.443 462 I N -0.270 120.325 120.570 0.042 0.000 2.179 462 I HA -0.249 3.921 4.170 0.000 0.000 0.242 462 I C 2.271 178.418 176.117 0.050 0.000 1.088 462 I CA 1.292 62.602 61.300 0.015 0.000 1.357 462 I CB -0.266 37.772 38.000 0.064 0.000 1.051 462 I HN 0.294 nan 8.210 nan 0.000 0.409 463 I N 0.397 121.048 120.570 0.136 0.000 2.226 463 I HA -0.298 3.872 4.170 0.000 0.000 0.245 463 I C 2.609 178.758 176.117 0.054 0.000 1.100 463 I CA 1.476 62.868 61.300 0.153 0.000 1.374 463 I CB -0.394 37.721 38.000 0.192 0.000 1.057 463 I HN 0.307 nan 8.210 nan 0.000 0.413 464 E N 1.119 121.387 120.200 0.114 0.000 2.077 464 E HA -0.306 4.044 4.350 0.000 0.000 0.193 464 E C 2.302 178.906 176.600 0.007 0.000 0.989 464 E CA 1.241 57.687 56.400 0.077 0.000 0.800 464 E CB 0.034 29.850 29.700 0.193 0.000 0.746 464 E HN 0.153 nan 8.360 nan 0.000 0.452 465 R N 0.654 121.146 120.500 -0.013 0.000 2.083 465 R HA -0.087 4.253 4.340 0.000 0.000 0.237 465 R C 2.236 178.472 176.300 -0.106 0.000 1.137 465 R CA 1.566 57.630 56.100 -0.061 0.000 0.951 465 R CB -0.584 29.662 30.300 -0.090 0.000 0.851 465 R HN 0.294 nan 8.270 nan 0.000 0.434 466 L N -1.319 119.803 121.223 -0.168 0.000 2.179 466 L HA -0.034 4.306 4.340 0.000 0.000 0.208 466 L C 1.582 178.182 176.870 -0.450 0.000 1.096 466 L CA 0.932 55.561 54.840 -0.352 0.000 0.779 466 L CB -0.222 41.531 42.059 -0.509 0.000 0.922 466 L HN 0.356 nan 8.230 nan 0.000 0.443 467 H N -1.243 117.785 119.070 -0.071 0.000 3.360 467 H HA 0.333 4.889 4.556 0.000 0.000 0.262 467 H C 0.781 176.042 175.328 -0.110 0.000 1.149 467 H CA 0.705 56.698 56.048 -0.091 0.000 1.181 467 H CB 1.124 30.806 29.762 -0.134 0.000 1.564 467 H HN 0.236 nan 8.280 nan 0.000 0.565 468 G N 1.039 109.829 108.800 -0.016 0.000 2.690 468 G HA2 -0.217 3.743 3.960 0.000 0.000 0.686 468 G HA3 -0.217 3.743 3.960 0.000 0.000 0.686 468 G C 0.632 175.480 174.900 -0.087 0.000 1.277 468 G CA -0.184 44.901 45.100 -0.026 0.000 0.799 468 G HN 0.225 nan 8.290 nan 0.000 0.613 469 L N 0.467 121.699 121.223 0.015 0.000 2.261 469 L HA -0.123 4.218 4.340 0.000 0.000 0.216 469 L C 2.745 179.619 176.870 0.006 0.000 1.114 469 L CA 2.311 57.218 54.840 0.111 0.000 0.777 469 L CB -0.257 41.918 42.059 0.195 0.000 0.910 469 L HN 0.794 nan 8.230 nan 0.000 0.440 470 E N 0.013 120.180 120.200 -0.055 0.000 2.204 470 E HA -0.188 4.162 4.350 0.000 0.000 0.195 470 E C 2.184 178.679 176.600 -0.175 0.000 0.990 470 E CA 1.054 57.407 56.400 -0.077 0.000 0.821 470 E CB -0.380 29.276 29.700 -0.073 0.000 0.750 470 E HN 0.457 nan 8.360 nan 0.000 0.477 471 A N 0.345 122.975 122.820 -0.317 0.000 2.084 471 A HA -0.161 4.159 4.320 0.000 0.000 0.221 471 A C 1.210 178.547 177.584 -0.411 0.000 1.161 471 A CA 1.104 52.869 52.037 -0.453 0.000 0.653 471 A CB -0.607 18.045 19.000 -0.579 0.000 0.802 471 A HN 0.252 nan 8.150 nan 0.000 0.457 472 F N -0.536 119.417 119.950 0.005 0.000 2.727 472 F HA 0.178 4.705 4.527 0.000 0.000 0.302 472 F C 1.807 177.632 175.800 0.042 0.000 1.097 472 F CA 0.407 58.428 58.000 0.034 0.000 1.330 472 F CB 0.108 39.143 39.000 0.059 0.000 1.084 472 F HN 0.263 nan 8.300 nan 0.000 0.578 473 S N -1.201 114.574 115.700 0.124 0.000 2.893 473 S HA 0.292 4.762 4.470 0.000 0.000 0.258 473 S C -0.001 174.620 174.600 0.036 0.000 1.034 473 S CA -0.364 57.904 58.200 0.112 0.000 1.167 473 S CB -0.573 62.689 63.200 0.103 0.000 1.137 473 S HN 0.054 nan 8.310 nan 0.000 0.650 474 L N 3.304 124.464 121.223 -0.105 0.000 2.485 474 L HA 0.429 4.769 4.340 0.000 0.000 0.275 474 L C 0.527 177.228 176.870 -0.282 0.000 1.207 474 L CA 0.121 54.759 54.840 -0.337 0.000 0.855 474 L CB -0.034 41.683 42.059 -0.569 0.000 1.114 474 L HN 0.689 nan 8.230 nan 0.000 0.485 475 H N -1.699 117.120 119.070 -0.419 0.000 2.981 475 H HA 0.314 4.870 4.556 0.000 0.000 0.327 475 H C -0.405 174.748 175.328 -0.292 0.000 1.342 475 H CA -0.736 55.158 56.048 -0.256 0.000 1.123 475 H CB 1.077 30.801 29.762 -0.064 0.000 1.851 475 H HN 0.422 nan 8.280 nan 0.000 0.531 476 T N 0.393 114.980 114.554 0.055 0.000 3.886 476 T HA -0.234 4.116 4.350 0.000 0.000 0.371 476 T C -0.505 174.167 174.700 -0.046 0.000 0.760 476 T CA 0.863 62.986 62.100 0.038 0.000 1.966 476 T CB -2.577 66.318 68.868 0.045 0.000 1.793 476 T HN 0.533 nan 8.240 nan 0.000 0.798 477 Y N 1.499 121.817 120.300 0.030 0.000 2.385 477 Y HA 0.321 4.871 4.550 0.000 0.000 0.346 477 Y C 1.527 177.466 175.900 0.065 0.000 1.270 477 Y CA 0.210 58.347 58.100 0.062 0.000 1.472 477 Y CB 0.493 38.994 38.460 0.069 0.000 1.354 477 Y HN 0.502 nan 8.280 nan 0.000 0.611 478 S N 2.367 118.221 115.700 0.258 0.000 2.593 478 S HA 0.131 4.601 4.470 0.000 0.000 0.269 478 S C -1.797 172.894 174.600 0.152 0.000 1.334 478 S CA -1.113 57.181 58.200 0.156 0.000 1.015 478 S CB 1.186 64.462 63.200 0.127 0.000 0.912 478 S HN 0.507 nan 8.310 nan 0.000 0.541 479 P HA -0.187 nan 4.420 nan 0.000 0.217 479 P C 1.438 178.794 177.300 0.093 0.000 1.150 479 P CA 1.393 64.549 63.100 0.093 0.000 0.832 479 P CB -0.357 31.389 31.700 0.076 0.000 0.787 480 H N 0.675 119.763 119.070 0.030 0.000 2.319 480 H HA -0.184 4.372 4.556 0.000 0.000 0.297 480 H C 1.984 177.322 175.328 0.017 0.000 1.097 480 H CA 2.295 58.352 56.048 0.014 0.000 1.285 480 H CB -0.101 29.661 29.762 0.001 0.000 1.368 480 H HN 0.036 nan 8.280 nan 0.000 0.495 481 E N 0.625 120.927 120.200 0.170 0.000 2.047 481 E HA -0.079 4.271 4.350 0.000 0.000 0.191 481 E C 2.756 179.372 176.600 0.027 0.000 0.987 481 E CA 1.003 57.478 56.400 0.124 0.000 0.799 481 E CB -0.394 29.443 29.700 0.229 0.000 0.752 481 E HN 0.507 nan 8.360 nan 0.000 0.449 482 L N 0.034 121.282 121.223 0.042 0.000 2.093 482 L HA -0.118 4.222 4.340 0.000 0.000 0.208 482 L C 2.483 179.337 176.870 -0.026 0.000 1.085 482 L CA 1.154 55.998 54.840 0.007 0.000 0.755 482 L CB -0.333 41.752 42.059 0.043 0.000 0.904 482 L HN 0.101 nan 8.230 nan 0.000 0.435 483 S N -0.470 115.205 115.700 -0.043 0.000 2.368 483 S HA -0.200 4.270 4.470 0.000 0.000 0.225 483 S C 2.056 176.591 174.600 -0.107 0.000 1.030 483 S CA 1.258 59.417 58.200 -0.069 0.000 0.999 483 S CB -0.228 62.919 63.200 -0.088 0.000 0.844 483 S HN 0.343 nan 8.310 nan 0.000 0.459 484 R N 0.880 121.282 120.500 -0.163 0.000 2.075 484 R HA -0.049 4.291 4.340 0.000 0.000 0.232 484 R C 2.031 178.240 176.300 -0.151 0.000 1.126 484 R CA 1.244 57.233 56.100 -0.184 0.000 0.963 484 R CB -0.369 29.785 30.300 -0.243 0.000 0.858 484 R HN 0.237 nan 8.270 nan 0.000 0.435 485 V N 1.072 120.912 119.914 -0.123 0.000 2.358 485 V HA -0.201 3.919 4.120 0.000 0.000 0.246 485 V C 2.477 178.526 176.094 -0.075 0.000 1.047 485 V CA 1.848 64.079 62.300 -0.115 0.000 1.035 485 V CB -0.733 31.052 31.823 -0.065 0.000 0.658 485 V HN 0.555 nan 8.190 nan 0.000 0.452 486 A N 0.232 123.022 122.820 -0.049 0.000 1.883 486 A HA -0.207 4.113 4.320 0.000 0.000 0.217 486 A C 2.447 180.018 177.584 -0.022 0.000 1.186 486 A CA 2.382 54.407 52.037 -0.021 0.000 0.624 486 A CB -0.918 18.076 19.000 -0.011 0.000 0.822 486 A HN 0.594 nan 8.150 nan 0.000 0.444 487 A N -1.349 121.446 122.820 -0.041 0.000 1.940 487 A HA -0.107 4.213 4.320 0.000 0.000 0.219 487 A C 2.312 179.877 177.584 -0.031 0.000 1.176 487 A CA 2.379 54.396 52.037 -0.034 0.000 0.631 487 A CB -1.242 17.725 19.000 -0.055 0.000 0.814 487 A HN 0.446 nan 8.150 nan 0.000 0.446 488 T N 0.413 114.929 114.554 -0.064 0.000 2.737 488 T HA -0.059 4.291 4.350 0.000 0.000 0.265 488 T C 1.804 176.486 174.700 -0.030 0.000 1.038 488 T CA 1.451 63.510 62.100 -0.068 0.000 1.144 488 T CB -0.387 68.395 68.868 -0.144 0.000 0.866 488 T HN 0.394 nan 8.240 nan 0.000 0.434 489 L N 0.712 121.921 121.223 -0.023 0.000 2.083 489 L HA -0.091 4.249 4.340 0.000 0.000 0.209 489 L C 2.796 179.674 176.870 0.014 0.000 1.083 489 L CA 1.437 56.284 54.840 0.011 0.000 0.752 489 L CB -0.552 41.534 42.059 0.046 0.000 0.899 489 L HN 0.196 nan 8.230 nan 0.000 0.433 490 R N 1.025 121.542 120.500 0.029 0.000 2.075 490 R HA -0.204 4.136 4.340 0.000 0.000 0.232 490 R C 2.350 178.730 176.300 0.134 0.000 1.126 490 R CA 1.648 57.786 56.100 0.064 0.000 0.963 490 R CB -0.118 30.216 30.300 0.058 0.000 0.858 490 R HN 0.196 nan 8.270 nan 0.000 0.435 491 K N 0.485 120.951 120.400 0.109 0.000 2.057 491 K HA -0.088 4.232 4.320 0.000 0.000 0.207 491 K C 1.801 178.562 176.600 0.267 0.000 1.049 491 K CA 1.431 57.813 56.287 0.158 0.000 0.931 491 K CB 0.003 32.551 32.500 0.079 0.000 0.714 491 K HN 0.275 nan 8.250 nan 0.000 0.440 492 L N -0.291 121.014 121.223 0.137 0.000 2.567 492 L HA 0.171 4.511 4.340 0.000 0.000 0.225 492 L C 0.864 177.622 176.870 -0.186 0.000 1.119 492 L CA 0.346 55.242 54.840 0.093 0.000 0.871 492 L CB 0.052 42.129 42.059 0.030 0.000 1.036 492 L HN 0.531 nan 8.230 nan 0.000 0.459 493 G N 1.330 109.883 108.800 -0.411 0.000 2.295 493 G HA2 -0.238 3.722 3.960 0.000 0.000 0.287 493 G HA3 -0.238 3.722 3.960 0.000 0.000 0.287 493 G C 0.280 174.917 174.900 -0.439 0.000 1.055 493 G CA 0.263 44.798 45.100 -0.941 0.000 0.922 493 G HN 0.495 nan 8.290 nan 0.000 0.503 494 A N -0.029 122.692 122.820 -0.165 0.000 2.286 494 A HA 0.883 5.203 4.320 0.000 0.000 0.286 494 A C -1.388 176.221 177.584 0.042 0.000 1.097 494 A CA -1.307 50.734 52.037 0.006 0.000 0.821 494 A CB 0.684 19.767 19.000 0.139 0.000 1.076 494 A HN 0.237 nan 8.150 nan 0.000 0.490 495 P HA 0.210 nan 4.420 nan 0.000 0.269 495 P C -2.459 174.928 177.300 0.146 0.000 1.215 495 P CA -0.727 62.345 63.100 -0.046 0.000 0.780 495 P CB -0.062 31.387 31.700 -0.417 0.000 0.898 496 P HA 0.125 nan 4.420 nan 0.000 0.276 496 P C 0.823 178.277 177.300 0.256 0.000 1.252 496 P CA -0.221 62.966 63.100 0.144 0.000 0.802 496 P CB 0.936 32.676 31.700 0.067 0.000 1.035 497 L N 0.756 122.135 121.223 0.259 0.000 2.127 497 L HA -0.199 4.141 4.340 0.000 0.000 0.211 497 L C 2.873 179.904 176.870 0.269 0.000 1.089 497 L CA 1.736 56.757 54.840 0.302 0.000 0.757 497 L CB -0.787 41.358 42.059 0.143 0.000 0.899 497 L HN 0.495 nan 8.230 nan 0.000 0.434 498 R N 0.718 121.320 120.500 0.169 0.000 2.120 498 R HA -0.127 4.213 4.340 0.000 0.000 0.234 498 R C 2.188 178.551 176.300 0.105 0.000 1.123 498 R CA 1.324 57.507 56.100 0.138 0.000 0.975 498 R CB -0.632 29.719 30.300 0.085 0.000 0.866 498 R HN 0.240 nan 8.270 nan 0.000 0.446 499 A N 1.045 123.885 122.820 0.034 0.000 1.929 499 A HA -0.074 4.246 4.320 0.000 0.000 0.216 499 A C 1.729 179.234 177.584 -0.133 0.000 1.176 499 A CA 0.857 52.830 52.037 -0.107 0.000 0.628 499 A CB -0.893 17.962 19.000 -0.242 0.000 0.816 499 A HN 0.560 nan 8.150 nan 0.000 0.444 500 W N 0.217 121.586 121.300 0.114 0.000 2.374 500 W HA -0.074 4.586 4.660 0.000 0.000 0.288 500 W C 2.316 179.015 176.519 0.299 0.000 1.218 500 W CA 1.479 58.934 57.345 0.183 0.000 1.245 500 W CB 0.087 29.649 29.460 0.171 0.000 1.126 500 W HN 0.306 nan 8.180 nan 0.000 0.545 501 K N 0.180 120.877 120.400 0.495 0.000 2.057 501 K HA -0.145 4.175 4.320 0.000 0.000 0.206 501 K C 2.091 178.798 176.600 0.178 0.000 1.050 501 K CA 1.776 58.346 56.287 0.471 0.000 0.935 501 K CB -0.328 32.438 32.500 0.444 0.000 0.715 501 K HN -0.079 nan 8.250 nan 0.000 0.439 502 S N 0.848 116.608 115.700 0.100 0.000 2.370 502 S HA -0.126 4.344 4.470 0.000 0.000 0.226 502 S C 1.836 176.426 174.600 -0.016 0.000 1.033 502 S CA 1.311 59.518 58.200 0.012 0.000 1.011 502 S CB -0.239 62.949 63.200 -0.019 0.000 0.852 502 S HN 0.363 nan 8.310 nan 0.000 0.457 503 R N 1.140 121.642 120.500 0.003 0.000 2.081 503 R HA -0.000 4.340 4.340 0.000 0.000 0.235 503 R C 2.622 178.909 176.300 -0.022 0.000 1.131 503 R CA 1.246 57.339 56.100 -0.012 0.000 0.960 503 R CB -0.533 29.771 30.300 0.007 0.000 0.856 503 R HN 0.412 nan 8.270 nan 0.000 0.436 504 A N 1.329 124.174 122.820 0.040 0.000 1.933 504 A HA -0.175 4.145 4.320 0.000 0.000 0.218 504 A C 2.080 179.467 177.584 -0.329 0.000 1.175 504 A CA 1.181 53.130 52.037 -0.147 0.000 0.628 504 A CB -0.392 18.583 19.000 -0.041 0.000 0.814 504 A HN 0.218 nan 8.150 nan 0.000 0.444 505 R N -0.635 119.732 120.500 -0.221 0.000 2.103 505 R HA -0.175 4.165 4.340 0.000 0.000 0.242 505 R C 2.459 178.639 176.300 -0.200 0.000 1.142 505 R CA 1.416 57.390 56.100 -0.210 0.000 0.960 505 R CB -0.471 29.749 30.300 -0.133 0.000 0.858 505 R HN 0.537 nan 8.270 nan 0.000 0.439 506 A N 0.396 123.117 122.820 -0.165 0.000 1.930 506 A HA -0.078 4.242 4.320 0.000 0.000 0.217 506 A C 2.339 179.816 177.584 -0.179 0.000 1.175 506 A CA 1.121 53.072 52.037 -0.142 0.000 0.627 506 A CB -0.361 18.577 19.000 -0.103 0.000 0.815 506 A HN 0.119 nan 8.150 nan 0.000 0.443 507 V N 0.169 119.929 119.914 -0.256 0.000 2.343 507 V HA -0.254 3.866 4.120 0.000 0.000 0.247 507 V C 2.649 178.510 176.094 -0.387 0.000 1.051 507 V CA 2.264 64.374 62.300 -0.316 0.000 1.036 507 V CB -0.795 30.765 31.823 -0.439 0.000 0.654 507 V HN 0.682 nan 8.190 nan 0.000 0.451 508 R N 0.322 120.518 120.500 -0.508 0.000 2.091 508 R HA -0.184 4.156 4.340 0.000 0.000 0.238 508 R C 2.288 178.484 176.300 -0.173 0.000 1.136 508 R CA 1.787 57.680 56.100 -0.345 0.000 0.959 508 R CB -0.465 29.658 30.300 -0.295 0.000 0.856 508 R HN 0.476 nan 8.270 nan 0.000 0.437 509 A N 0.013 122.739 122.820 -0.157 0.000 1.933 509 A HA -0.129 4.191 4.320 0.000 0.000 0.218 509 A C 2.213 179.752 177.584 -0.076 0.000 1.175 509 A CA 1.896 53.874 52.037 -0.100 0.000 0.628 509 A CB -0.486 18.459 19.000 -0.091 0.000 0.814 509 A HN 0.434 nan 8.150 nan 0.000 0.444 510 S N -0.335 115.315 115.700 -0.083 0.000 2.368 510 S HA -0.046 4.424 4.470 0.000 0.000 0.224 510 S C 1.839 176.424 174.600 -0.024 0.000 1.029 510 S CA 1.328 59.498 58.200 -0.050 0.000 0.988 510 S CB -0.411 62.759 63.200 -0.049 0.000 0.838 510 S HN 0.508 nan 8.310 nan 0.000 0.462 511 L N 1.036 122.240 121.223 -0.032 0.000 2.017 511 L HA -0.090 4.251 4.340 0.000 0.000 0.208 511 L C 2.183 179.057 176.870 0.007 0.000 1.073 511 L CA 1.162 56.009 54.840 0.010 0.000 0.745 511 L CB -0.556 41.509 42.059 0.010 0.000 0.894 511 L HN 0.293 nan 8.230 nan 0.000 0.432 512 I N -0.154 120.407 120.570 -0.015 0.000 2.264 512 I HA -0.298 3.872 4.170 0.000 0.000 0.248 512 I C 2.691 178.805 176.117 -0.005 0.000 1.111 512 I CA 1.217 62.511 61.300 -0.010 0.000 1.382 512 I CB -0.422 37.564 38.000 -0.024 0.000 1.060 512 I HN 0.220 nan 8.210 nan 0.000 0.418 513 A N -0.304 122.510 122.820 -0.011 0.000 2.014 513 A HA -0.164 4.156 4.320 0.000 0.000 0.218 513 A C 2.224 179.810 177.584 0.003 0.000 1.163 513 A CA 0.957 52.989 52.037 -0.007 0.000 0.652 513 A CB -0.329 18.663 19.000 -0.014 0.000 0.808 513 A HN 0.381 nan 8.150 nan 0.000 0.449 514 Q N -0.689 119.118 119.800 0.012 0.000 2.291 514 Q HA 0.103 4.443 4.340 0.000 0.000 0.205 514 Q C 1.254 177.268 176.000 0.023 0.000 0.970 514 Q CA 0.836 56.652 55.803 0.022 0.000 0.876 514 Q CB -0.515 28.246 28.738 0.039 0.000 0.935 514 Q HN 0.839 nan 8.270 nan 0.000 0.455 515 G N -0.187 108.625 108.800 0.020 0.000 2.782 515 G HA2 -0.091 3.869 3.960 0.000 0.000 0.228 515 G HA3 -0.091 3.869 3.960 0.000 0.000 0.228 515 G C 0.224 175.139 174.900 0.025 0.000 1.372 515 G CA 0.387 45.499 45.100 0.019 0.000 0.862 515 G HN 0.871 nan 8.290 nan 0.000 0.547 516 A N -1.404 121.428 122.820 0.021 0.000 5.584 516 A HA -0.276 4.044 4.320 0.000 0.000 0.303 516 A C 2.064 179.662 177.584 0.022 0.000 1.923 516 A CA 2.994 55.044 52.037 0.021 0.000 0.717 516 A CB -1.370 17.645 19.000 0.025 0.000 1.281 516 A HN 1.945 nan 8.150 nan 0.000 0.379 517 R N -0.459 120.058 120.500 0.028 0.000 2.115 517 R HA 0.021 4.361 4.340 0.000 0.000 0.230 517 R C 2.504 178.833 176.300 0.048 0.000 1.111 517 R CA 1.628 57.745 56.100 0.028 0.000 0.976 517 R CB -0.521 29.804 30.300 0.041 0.000 0.870 517 R HN 0.932 nan 8.270 nan 0.000 0.445 518 A N 1.405 124.265 122.820 0.066 0.000 1.969 518 A HA -0.047 4.273 4.320 0.000 0.000 0.218 518 A C 2.348 179.967 177.584 0.058 0.000 1.169 518 A CA 1.515 53.607 52.037 0.091 0.000 0.635 518 A CB -0.357 18.703 19.000 0.100 0.000 0.810 518 A HN 0.360 nan 8.150 nan 0.000 0.445 519 A N -0.265 122.579 122.820 0.039 0.000 2.014 519 A HA 0.028 4.348 4.320 0.000 0.000 0.218 519 A C 2.030 179.636 177.584 0.036 0.000 1.163 519 A CA 1.253 53.307 52.037 0.029 0.000 0.652 519 A CB -0.501 18.513 19.000 0.023 0.000 0.808 519 A HN 0.482 nan 8.150 nan 0.000 0.449 520 I N -0.780 119.803 120.570 0.022 0.000 2.252 520 I HA -0.301 3.869 4.170 0.000 0.000 0.245 520 I C 2.449 178.565 176.117 -0.002 0.000 1.102 520 I CA 0.925 62.228 61.300 0.005 0.000 1.385 520 I CB -0.398 37.531 38.000 -0.118 0.000 1.064 520 I HN 0.370 nan 8.210 nan 0.000 0.414 521 C N 0.808 120.095 119.300 -0.021 0.000 2.413 521 C HA -0.160 4.300 4.460 0.000 0.000 0.276 521 C C 2.999 177.968 174.990 -0.036 0.000 1.236 521 C CA 1.229 60.203 59.018 -0.073 0.000 1.735 521 C CB -1.793 25.912 27.740 -0.058 0.000 2.031 521 C HN 0.684 nan 8.230 nan 0.000 0.474 522 G N -0.088 108.731 108.800 0.033 0.000 2.446 522 G HA2 -0.214 3.747 3.960 0.000 0.000 0.217 522 G HA3 -0.214 3.747 3.960 0.000 0.000 0.217 522 G C 1.797 176.741 174.900 0.074 0.000 1.168 522 G CA 0.598 45.755 45.100 0.096 0.000 0.771 522 G HN 0.597 nan 8.290 nan 0.000 0.551 523 R N -1.225 119.298 120.500 0.038 0.000 2.090 523 R HA 0.018 4.358 4.340 0.000 0.000 0.228 523 R C 2.347 178.565 176.300 -0.138 0.000 1.110 523 R CA 1.144 57.227 56.100 -0.029 0.000 0.973 523 R CB -0.315 29.986 30.300 0.001 0.000 0.869 523 R HN 0.452 nan 8.270 nan 0.000 0.440 524 Y N 0.504 120.630 120.300 -0.291 0.000 2.201 524 Y HA -0.003 4.547 4.550 0.000 0.000 0.292 524 Y C 2.156 177.746 175.900 -0.518 0.000 1.119 524 Y CA 0.823 58.583 58.100 -0.568 0.000 1.127 524 Y CB -0.353 37.544 38.460 -0.937 0.000 1.019 524 Y HN -0.099 nan 8.280 nan 0.000 0.514 525 L N -1.733 119.319 121.223 -0.284 0.000 2.201 525 L HA -0.162 4.178 4.340 0.000 0.000 0.212 525 L C 0.688 177.242 176.870 -0.526 0.000 1.105 525 L CA 1.345 55.971 54.840 -0.356 0.000 0.775 525 L CB -0.361 41.328 42.059 -0.615 0.000 0.913 525 L HN 0.173 nan 8.230 nan 0.000 0.440 526 F N -1.633 118.249 119.950 -0.113 0.000 2.735 526 F HA 0.188 4.715 4.527 0.000 0.000 0.304 526 F C 1.666 177.157 175.800 -0.515 0.000 1.119 526 F CA -0.395 57.345 58.000 -0.433 0.000 1.280 526 F CB -0.760 38.001 39.000 -0.399 0.000 0.994 526 F HN 0.003 nan 8.300 nan 0.000 0.520 527 N N 1.057 119.664 118.700 -0.155 0.000 2.205 527 N HA -0.197 4.543 4.740 0.000 0.000 0.186 527 N C 1.927 177.406 175.510 -0.053 0.000 1.015 527 N CA 1.704 54.690 53.050 -0.108 0.000 0.862 527 N CB -0.096 38.349 38.487 -0.069 0.000 0.986 527 N HN 0.586 nan 8.380 nan 0.000 0.429 528 W N 0.146 121.484 121.300 0.064 0.000 2.421 528 W HA 0.068 4.728 4.660 0.000 0.000 0.270 528 W C 1.488 178.062 176.519 0.091 0.000 1.233 528 W CA 0.593 57.984 57.345 0.076 0.000 1.226 528 W CB -0.631 28.884 29.460 0.091 0.000 1.121 528 W HN -0.017 nan 8.180 nan 0.000 0.579 529 A N 1.446 123.872 122.820 -0.655 0.000 2.169 529 A HA 0.208 4.528 4.320 0.000 0.000 0.212 529 A C 1.053 178.502 177.584 -0.224 0.000 1.153 529 A CA 0.999 52.664 52.037 -0.619 0.000 0.756 529 A CB -0.806 17.596 19.000 -0.997 0.000 0.813 529 A HN 0.121 nan 8.150 nan 0.000 0.471 530 V N -3.140 116.680 119.914 -0.157 0.000 2.713 530 V HA 0.444 4.564 4.120 0.000 0.000 0.307 530 V C 1.084 177.154 176.094 -0.039 0.000 1.052 530 V CA -0.438 61.806 62.300 -0.094 0.000 0.967 530 V CB 1.530 33.292 31.823 -0.102 0.000 1.019 530 V HN 0.357 nan 8.190 nan 0.000 0.459 531 K N 1.747 122.127 120.400 -0.032 0.000 1.978 531 K HA -0.062 4.258 4.320 0.000 0.000 0.214 531 K C 0.770 177.357 176.600 -0.022 0.000 1.049 531 K CA 1.944 58.220 56.287 -0.019 0.000 0.939 531 K CB -0.303 32.185 32.500 -0.020 0.000 0.721 531 K HN 0.874 nan 8.250 nan 0.000 0.441 532 T N 2.471 117.006 114.554 -0.031 0.000 2.794 532 T HA 0.206 4.556 4.350 0.000 0.000 0.304 532 T C -0.602 174.074 174.700 -0.039 0.000 0.973 532 T CA -0.467 61.615 62.100 -0.031 0.000 0.972 532 T CB 1.166 70.016 68.868 -0.031 0.000 0.952 532 T HN 0.042 nan 8.240 nan 0.000 0.509 533 K N 2.698 123.077 120.400 -0.035 0.000 2.382 533 K HA 0.304 4.624 4.320 0.000 0.000 0.275 533 K C 0.176 176.743 176.600 -0.055 0.000 1.009 533 K CA -0.161 56.100 56.287 -0.042 0.000 0.970 533 K CB 0.310 32.795 32.500 -0.025 0.000 0.934 533 K HN 0.495 nan 8.250 nan 0.000 0.479 534 L N 2.398 123.573 121.223 -0.081 0.000 2.418 534 L HA 0.234 4.574 4.340 0.000 0.000 0.265 534 L C 0.622 177.430 176.870 -0.104 0.000 1.143 534 L CA -0.627 54.154 54.840 -0.097 0.000 0.809 534 L CB 0.652 42.630 42.059 -0.135 0.000 1.124 534 L HN 0.318 nan 8.230 nan 0.000 0.456 535 K N 2.985 123.332 120.400 -0.089 0.000 2.250 535 K HA 0.255 4.575 4.320 0.000 0.000 0.280 535 K C -0.915 175.619 176.600 -0.110 0.000 1.098 535 K CA -0.683 55.560 56.287 -0.072 0.000 0.916 535 K CB 0.266 32.743 32.500 -0.039 0.000 1.209 535 K HN 0.239 nan 8.250 nan 0.000 0.461 536 L N 3.573 124.704 121.223 -0.154 0.000 2.360 536 L HA 0.184 4.525 4.340 0.000 0.000 0.276 536 L C 0.928 177.779 176.870 -0.033 0.000 1.121 536 L CA 0.298 54.988 54.840 -0.251 0.000 0.845 536 L CB 0.482 42.332 42.059 -0.348 0.000 1.143 536 L HN 0.589 nan 8.230 nan 0.000 0.452 537 T N 2.168 116.756 114.554 0.057 0.000 2.943 537 T HA 0.686 5.037 4.350 0.000 0.000 0.284 537 T C -2.568 172.275 174.700 0.239 0.000 1.015 537 T CA -2.215 59.966 62.100 0.135 0.000 1.042 537 T CB 1.366 70.295 68.868 0.101 0.000 1.055 537 T HN 0.283 nan 8.240 nan 0.000 0.500 538 P HA 0.216 nan 4.420 nan 0.000 0.266 538 P C -0.638 176.724 177.300 0.103 0.000 1.195 538 P CA -0.308 62.882 63.100 0.150 0.000 0.768 538 P CB 0.238 31.993 31.700 0.093 0.000 0.838 539 L N 6.228 127.480 121.223 0.049 0.000 2.281 539 L HA 0.195 4.535 4.340 0.000 0.000 0.285 539 L C -1.168 175.690 176.870 -0.021 0.000 1.074 539 L CA -1.609 53.201 54.840 -0.049 0.000 0.817 539 L CB 0.814 42.774 42.059 -0.165 0.000 1.168 539 L HN 0.304 nan 8.230 nan 0.000 0.434 540 P HA -0.232 nan 4.420 nan 0.000 0.216 540 P C 1.179 178.466 177.300 -0.022 0.000 1.150 540 P CA 1.242 64.335 63.100 -0.012 0.000 0.843 540 P CB 0.164 31.858 31.700 -0.011 0.000 0.787 541 E N -0.504 119.675 120.200 -0.035 0.000 2.274 541 E HA -0.077 4.273 4.350 0.000 0.000 0.194 541 E C 1.883 178.459 176.600 -0.040 0.000 0.996 541 E CA 0.903 57.281 56.400 -0.036 0.000 0.840 541 E CB -0.797 28.879 29.700 -0.039 0.000 0.772 541 E HN 0.106 nan 8.360 nan 0.000 0.491 542 A N 2.212 125.011 122.820 -0.034 0.000 1.877 542 A HA -0.207 4.113 4.320 0.000 0.000 0.216 542 A C 2.459 180.019 177.584 -0.039 0.000 1.186 542 A CA 1.987 54.006 52.037 -0.031 0.000 0.620 542 A CB -0.778 18.221 19.000 -0.002 0.000 0.822 542 A HN 0.430 nan 8.150 nan 0.000 0.443 543 S N -0.620 115.064 115.700 -0.027 0.000 2.515 543 S HA -0.030 4.440 4.470 0.000 0.000 0.231 543 S C 1.642 176.219 174.600 -0.038 0.000 0.987 543 S CA 0.811 58.994 58.200 -0.029 0.000 0.936 543 S CB -0.268 62.923 63.200 -0.014 0.000 0.766 543 S HN 0.619 nan 8.310 nan 0.000 0.528 544 R N 0.263 120.738 120.500 -0.042 0.000 2.280 544 R HA 0.366 4.706 4.340 0.000 0.000 0.195 544 R C 0.055 176.316 176.300 -0.065 0.000 0.935 544 R CA -0.140 55.933 56.100 -0.045 0.000 1.033 544 R CB -0.205 30.074 30.300 -0.035 0.000 0.964 544 R HN 0.373 nan 8.270 nan 0.000 0.489 545 L N 1.949 123.118 121.223 -0.089 0.000 2.485 545 L HA -0.032 4.308 4.340 0.000 0.000 0.275 545 L C 0.325 177.104 176.870 -0.152 0.000 1.207 545 L CA 0.062 54.825 54.840 -0.128 0.000 0.855 545 L CB 0.236 42.186 42.059 -0.182 0.000 1.114 545 L HN -0.051 nan 8.230 nan 0.000 0.485 546 D N 4.060 124.369 120.400 -0.151 0.000 2.494 546 D HA 0.175 4.815 4.640 0.000 0.000 0.217 546 D C 0.359 176.505 176.300 -0.256 0.000 1.153 546 D CA -0.015 53.898 54.000 -0.146 0.000 0.954 546 D CB 0.389 41.140 40.800 -0.081 0.000 1.034 546 D HN 0.340 nan 8.370 nan 0.000 0.518 547 L N 2.215 123.225 121.223 -0.355 0.000 2.851 547 L HA 0.120 4.460 4.340 0.000 0.000 0.237 547 L C 0.663 177.381 176.870 -0.254 0.000 1.257 547 L CA -0.340 54.127 54.840 -0.621 0.000 1.061 547 L CB -0.452 41.164 42.059 -0.739 0.000 1.372 547 L HN 0.222 nan 8.230 nan 0.000 0.493 548 S N -0.071 115.555 115.700 -0.124 0.000 2.481 548 S HA 0.400 4.870 4.470 0.000 0.000 0.282 548 S C 1.257 175.844 174.600 -0.021 0.000 1.243 548 S CA 0.226 58.396 58.200 -0.050 0.000 1.078 548 S CB 1.072 64.249 63.200 -0.037 0.000 0.916 548 S HN 0.614 nan 8.310 nan 0.000 0.495 549 G N 2.599 111.382 108.800 -0.029 0.000 2.179 549 G HA2 -0.217 3.743 3.960 0.000 0.000 0.220 549 G HA3 -0.217 3.743 3.960 0.000 0.000 0.220 549 G C 0.450 175.216 174.900 -0.224 0.000 0.990 549 G CA 0.029 45.030 45.100 -0.165 0.000 0.646 549 G HN 0.646 nan 8.290 nan 0.000 0.517 550 W N 0.314 121.431 121.300 -0.305 0.000 2.358 550 W HA 0.393 5.053 4.660 0.000 0.000 0.303 550 W C 1.075 177.223 176.519 -0.618 0.000 1.208 550 W CA 1.150 58.260 57.345 -0.392 0.000 1.274 550 W CB -0.375 28.683 29.460 -0.670 0.000 1.138 550 W HN 0.226 nan 8.180 nan 0.000 0.515 551 F N 0.493 120.553 119.950 0.182 0.000 2.449 551 F HA 0.278 4.805 4.527 0.000 0.000 0.344 551 F C 0.943 176.799 175.800 0.094 0.000 1.180 551 F CA -0.145 57.908 58.000 0.088 0.000 1.209 551 F CB 0.139 39.145 39.000 0.009 0.000 1.440 551 F HN -0.227 nan 8.300 nan 0.000 0.526 552 T N -2.751 111.915 114.554 0.187 0.000 3.358 552 T HA 0.404 4.754 4.350 0.000 0.000 0.263 552 T C -0.046 174.758 174.700 0.174 0.000 0.998 552 T CA 0.033 62.220 62.100 0.145 0.000 1.130 552 T CB 0.360 69.249 68.868 0.035 0.000 1.165 552 T HN -0.055 nan 8.240 nan 0.000 0.426 553 V N 1.504 121.494 119.914 0.127 0.000 2.668 553 V HA 0.777 4.898 4.120 0.000 0.000 0.304 553 V C 0.324 176.403 176.094 -0.026 0.000 1.071 553 V CA -0.607 61.730 62.300 0.060 0.000 0.894 553 V CB 1.484 33.339 31.823 0.054 0.000 1.008 553 V HN 0.782 nan 8.190 nan 0.000 0.425 554 G N 2.453 111.091 108.800 -0.270 0.000 2.521 554 G HA2 0.881 4.841 3.960 0.000 0.000 0.323 554 G HA3 0.881 4.841 3.960 0.000 0.000 0.323 554 G C -0.641 174.065 174.900 -0.323 0.000 1.211 554 G CA -0.090 44.784 45.100 -0.376 0.000 0.979 554 G HN 1.209 nan 8.290 nan 0.000 0.490 555 A N -1.047 121.621 122.820 -0.254 0.000 2.556 555 A HA 0.833 5.153 4.320 0.000 0.000 0.294 555 A C 0.295 177.791 177.584 -0.147 0.000 1.091 555 A CA -0.062 51.837 52.037 -0.230 0.000 0.704 555 A CB 1.225 20.232 19.000 0.011 0.000 1.300 555 A HN 1.689 nan 8.150 nan 0.000 0.406 556 G N -0.458 108.279 108.800 -0.105 0.000 2.305 556 G HA2 0.501 4.461 3.960 0.000 0.000 0.243 556 G HA3 0.501 4.461 3.960 0.000 0.000 0.243 556 G C 1.239 176.132 174.900 -0.011 0.000 1.288 556 G CA 0.755 45.837 45.100 -0.031 0.000 0.901 556 G HN 2.439 nan 8.290 nan 0.000 0.516 557 G N 0.802 109.597 108.800 -0.009 0.000 2.168 557 G HA2 0.136 4.096 3.960 0.000 0.000 0.257 557 G HA3 0.136 4.096 3.960 0.000 0.000 0.257 557 G C 1.482 176.351 174.900 -0.052 0.000 0.997 557 G CA 1.011 46.096 45.100 -0.025 0.000 0.708 557 G HN 2.575 nan 8.290 nan 0.000 0.520 558 G N -0.528 108.234 108.800 -0.062 0.000 2.258 558 G HA2 -0.264 3.696 3.960 0.000 0.000 0.274 558 G HA3 -0.264 3.696 3.960 0.000 0.000 0.274 558 G C 0.281 175.120 174.900 -0.101 0.000 1.021 558 G CA 1.109 46.153 45.100 -0.093 0.000 0.798 558 G HN 1.278 nan 8.290 nan 0.000 0.507 559 D N -0.267 120.099 120.400 -0.057 0.000 2.934 559 D HA 0.484 5.124 4.640 0.000 0.000 0.237 559 D C 0.203 176.501 176.300 -0.003 0.000 1.158 559 D CA -0.075 53.903 54.000 -0.036 0.000 0.971 559 D CB -0.333 40.466 40.800 -0.002 0.000 1.123 559 D HN 0.461 nan 8.370 nan 0.000 0.467 560 I N 1.139 121.664 120.570 -0.075 0.000 2.722 560 I HA 0.350 4.520 4.170 0.000 0.000 0.292 560 I C -2.143 173.813 176.117 -0.267 0.000 1.267 560 I CA -0.992 60.258 61.300 -0.084 0.000 1.036 560 I CB 1.535 39.556 38.000 0.034 0.000 1.281 560 I HN -0.115 nan 8.210 nan 0.000 0.423 561 Y N 6.216 126.279 120.300 -0.395 0.000 2.376 561 Y HA 0.586 5.136 4.550 0.000 0.000 0.340 561 Y C -1.012 174.637 175.900 -0.418 0.000 0.965 561 Y CA -0.407 57.399 58.100 -0.490 0.000 1.078 561 Y CB 1.161 39.441 38.460 -0.300 0.000 1.193 561 Y HN 0.594 nan 8.280 nan 0.000 0.452 562 H N 3.565 122.122 119.070 -0.856 0.000 2.467 562 H HA 0.698 5.254 4.556 0.000 0.000 0.326 562 H C -0.158 174.718 175.328 -0.754 0.000 1.094 562 H CA -0.286 55.364 56.048 -0.662 0.000 1.253 562 H CB 1.398 30.794 29.762 -0.610 0.000 1.439 562 H HN 0.804 nan 8.280 nan 0.000 0.479 563 S N 0.000 115.558 115.700 -0.237 0.000 2.498 563 S HA 0.000 4.470 4.470 0.000 0.000 0.327 563 S CA 0.000 58.120 58.200 -0.134 0.000 1.107 563 S CB 0.000 63.091 63.200 -0.182 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517