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 3irn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSLFKIRMPE TVAEGTRLAL RAFSLVVAVD EHGGIGDGRS IPWNVPEDMK DATA SEQUENCE FFRDLTTKLR GKNVKPSPAK RNAVVMGRKT WDSIPPKFRP LPGRLNVVLS DATA SEQUENCE STLTTQHLLD GLPDEEKRNL HADSIVAVNG GLEQALRLLA SPNYTPSIET DATA SEQUENCE VYCIGGGSVY AEALRPPCVH LLQAIYRTTI RASESSCSVF FRVPESGTEA DATA SEQUENCE AAGIEWQRET ISEELTSANG NETKYYFEKL IPRNREEEQY LSLVDRIIRE DATA SEQUENCE GNVKHDRTGV GTLSIFGAQM RFSLRNNRLP LLTTKRVFWR GVCEELLWFL DATA SEQUENCE RGETYAKKLS DKGVHIWDDN GSRAFLDSRG LTEYEEMDLG PVYGFQWRHF DATA SEQUENCE GAAYTHHDAN YDGQGVDQIK AIVETLKTNP DDRRMLFTAW NPSALPRMAL DATA SEQUENCE PPCHLLAQFY VSNGELSCML YQRSCDMGLG VPFNIASYAL LTILIAKATG DATA SEQUENCE LRPGELVHTL GDAHVYSNHV EPCNEQLKRV PRAFPYLVFR REREFLEDYE DATA SEQUENCE EGDMEVIDYA PYPPIS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.149 176.300 -0.252 0.000 1.140 1 M CA 0.000 55.274 55.300 -0.043 0.000 0.988 1 M CB 0.000 32.710 32.600 0.183 0.000 1.302 2 S N 0.821 116.206 115.700 -0.525 0.000 4.148 2 S HA -0.307 3.527 4.470 -1.061 0.000 0.515 2 S C 1.039 175.551 174.600 -0.147 0.000 1.828 2 S CA 2.243 60.196 58.200 -0.411 0.000 4.202 2 S CB -1.220 61.921 63.200 -0.098 0.000 0.562 2 S HN 0.562 nan 8.310 nan 0.000 0.454 3 L N 0.134 121.232 121.223 -0.209 0.000 2.217 3 L HA 0.004 3.708 4.340 -1.061 0.000 0.211 3 L C 2.090 178.890 176.870 -0.117 0.000 1.107 3 L CA 1.318 56.051 54.840 -0.179 0.000 0.783 3 L CB -0.372 41.520 42.059 -0.280 0.000 0.919 3 L HN 0.349 nan 8.230 nan 0.000 0.442 4 F N 0.221 120.141 119.950 -0.051 0.000 2.367 4 F HA -0.018 3.873 4.527 -1.061 0.000 0.298 4 F C 1.449 177.215 175.800 -0.057 0.000 1.094 4 F CA 0.400 58.374 58.000 -0.042 0.000 1.409 4 F CB -0.457 38.522 39.000 -0.036 0.000 1.064 4 F HN -0.076 nan 8.300 nan 0.000 0.528 5 K N 0.243 120.681 120.400 0.063 0.000 2.098 5 K HA 0.496 4.180 4.320 -1.061 0.000 0.244 5 K C -0.412 176.262 176.600 0.122 0.000 1.014 5 K CA -0.585 55.711 56.287 0.015 0.000 0.917 5 K CB 1.135 33.481 32.500 -0.257 0.000 1.072 5 K HN -0.135 nan 8.250 nan 0.000 0.477 6 I N 1.859 122.537 120.570 0.180 0.000 2.307 6 I HA 0.211 3.745 4.170 -1.061 0.000 0.289 6 I C 0.193 176.478 176.117 0.279 0.000 1.021 6 I CA -0.563 60.842 61.300 0.176 0.000 1.224 6 I CB 1.128 39.183 38.000 0.090 0.000 1.376 6 I HN 0.391 nan 8.210 nan 0.000 0.470 7 R N 7.007 127.651 120.500 0.240 0.000 2.370 7 R HA 0.243 3.946 4.340 -1.061 0.000 0.309 7 R C -0.187 176.092 176.300 -0.035 0.000 1.059 7 R CA -0.647 55.485 56.100 0.053 0.000 0.981 7 R CB 0.547 30.832 30.300 -0.024 0.000 0.972 7 R HN 0.472 nan 8.270 nan 0.000 0.437 8 M N 6.603 126.157 119.600 -0.078 0.000 2.245 8 M HA 0.146 3.990 4.480 -1.061 0.000 0.344 8 M C -1.744 174.505 176.300 -0.084 0.000 1.170 8 M CA -2.180 53.093 55.300 -0.045 0.000 1.135 8 M CB 0.232 32.832 32.600 0.001 0.000 1.574 8 M HN 0.543 nan 8.290 nan 0.000 0.452 9 P HA 0.119 nan 4.420 nan 0.000 0.279 9 P C 0.145 177.407 177.300 -0.064 0.000 1.282 9 P CA -0.177 62.884 63.100 -0.065 0.000 0.788 9 P CB 0.462 32.128 31.700 -0.056 0.000 1.139 10 E N -0.597 119.569 120.200 -0.057 0.000 2.152 10 E HA -0.113 3.600 4.350 -1.061 0.000 0.192 10 E C 1.125 177.701 176.600 -0.041 0.000 0.983 10 E CA 1.513 57.883 56.400 -0.050 0.000 0.818 10 E CB -1.021 28.653 29.700 -0.043 0.000 0.758 10 E HN 0.458 nan 8.360 nan 0.000 0.467 11 T N -0.914 113.616 114.554 -0.040 0.000 3.215 11 T HA 0.076 3.789 4.350 -1.061 0.000 0.254 11 T C 1.703 176.377 174.700 -0.043 0.000 1.149 11 T CA 0.438 62.517 62.100 -0.035 0.000 1.042 11 T CB 0.243 69.091 68.868 -0.034 0.000 0.966 11 T HN 0.110 nan 8.240 nan 0.000 0.534 12 V N 1.619 121.503 119.914 -0.049 0.000 2.277 12 V HA -0.221 3.262 4.120 -1.061 0.000 0.253 12 V C 2.634 178.687 176.094 -0.067 0.000 1.067 12 V CA 2.460 64.723 62.300 -0.062 0.000 1.047 12 V CB -1.208 30.590 31.823 -0.042 0.000 0.649 12 V HN 0.711 nan 8.190 nan 0.000 0.447 13 A N -1.163 121.635 122.820 -0.036 0.000 2.195 13 A HA 0.045 3.728 4.320 -1.061 0.000 0.210 13 A C 2.109 179.692 177.584 -0.002 0.000 1.165 13 A CA 0.885 52.913 52.037 -0.015 0.000 0.806 13 A CB -0.395 18.610 19.000 0.009 0.000 0.847 13 A HN 0.780 nan 8.150 nan 0.000 0.482 14 E N 0.184 120.378 120.200 -0.010 0.000 2.106 14 E HA -0.087 3.626 4.350 -1.061 0.000 0.192 14 E C 1.478 178.080 176.600 0.004 0.000 0.984 14 E CA 1.148 57.547 56.400 -0.002 0.000 0.806 14 E CB -0.323 29.372 29.700 -0.009 0.000 0.750 14 E HN 0.400 nan 8.360 nan 0.000 0.458 15 G N -0.749 108.047 108.800 -0.006 0.000 3.448 15 G HA2 0.073 3.397 3.960 -1.061 0.000 0.261 15 G HA3 0.073 3.397 3.960 -1.061 0.000 0.261 15 G C 0.476 175.387 174.900 0.019 0.000 1.173 15 G CA 0.209 45.311 45.100 0.003 0.000 0.835 15 G HN 0.194 nan 8.290 nan 0.000 0.534 16 T N -0.975 113.600 114.554 0.034 0.000 3.186 16 T HA 0.222 3.936 4.350 -1.061 0.000 0.292 16 T C 0.903 175.664 174.700 0.103 0.000 0.915 16 T CA -0.606 61.541 62.100 0.078 0.000 0.902 16 T CB 0.693 69.613 68.868 0.086 0.000 1.192 16 T HN 0.211 nan 8.240 nan 0.000 0.563 17 R N 2.071 122.615 120.500 0.074 0.000 2.484 17 R HA 0.198 3.901 4.340 -1.061 0.000 0.293 17 R C -0.409 175.932 176.300 0.069 0.000 1.023 17 R CA -0.392 55.752 56.100 0.074 0.000 1.037 17 R CB 0.116 30.447 30.300 0.052 0.000 0.951 17 R HN 0.076 nan 8.270 nan 0.000 0.418 18 L N 5.197 126.460 121.223 0.068 0.000 2.638 18 L HA 0.041 3.744 4.340 -1.061 0.000 0.273 18 L C 0.822 177.712 176.870 0.032 0.000 1.147 18 L CA 0.750 55.618 54.840 0.047 0.000 0.941 18 L CB 0.681 42.756 42.059 0.028 0.000 1.251 18 L HN 0.829 nan 8.230 nan 0.000 0.479 19 A N 6.193 129.034 122.820 0.034 0.000 1.898 19 A HA 0.206 3.890 4.320 -1.061 0.000 0.214 19 A C 0.656 178.250 177.584 0.016 0.000 1.183 19 A CA 0.843 52.898 52.037 0.030 0.000 0.622 19 A CB -0.085 18.939 19.000 0.041 0.000 0.824 19 A HN 0.585 nan 8.150 nan 0.000 0.444 20 L N -0.532 120.693 121.223 0.004 0.000 2.464 20 L HA 0.456 4.159 4.340 -1.061 0.000 0.266 20 L C -0.462 176.370 176.870 -0.064 0.000 0.965 20 L CA -1.036 53.798 54.840 -0.010 0.000 0.833 20 L CB 2.048 44.126 42.059 0.032 0.000 1.296 20 L HN 0.153 nan 8.230 nan 0.000 0.405 21 R N 2.288 122.752 120.500 -0.060 0.000 2.490 21 R HA 0.580 4.283 4.340 -1.061 0.000 0.280 21 R C -0.190 176.090 176.300 -0.033 0.000 1.077 21 R CA 0.047 56.091 56.100 -0.093 0.000 1.065 21 R CB 1.163 31.429 30.300 -0.057 0.000 1.003 21 R HN 0.686 nan 8.270 nan 0.000 0.470 22 A N 4.414 127.145 122.820 -0.149 0.000 2.407 22 A HA 0.516 4.199 4.320 -1.061 0.000 0.248 22 A C -0.601 177.094 177.584 0.184 0.000 1.082 22 A CA -0.089 51.935 52.037 -0.022 0.000 0.785 22 A CB -0.199 18.697 19.000 -0.173 0.000 1.020 22 A HN 0.718 nan 8.150 nan 0.000 0.489 23 F N -0.782 119.153 119.950 -0.025 0.000 2.745 23 F HA 0.799 4.690 4.527 -1.060 0.000 0.316 23 F C -0.275 175.544 175.800 0.031 0.000 1.155 23 F CA -0.791 57.183 58.000 -0.044 0.000 0.937 23 F CB 1.020 40.005 39.000 -0.025 0.000 1.361 23 F HN 0.420 nan 8.300 nan 0.000 0.472 24 S N 0.991 116.736 115.700 0.076 0.000 2.677 24 S HA 0.792 4.625 4.470 -1.061 0.000 0.304 24 S C -1.621 173.248 174.600 0.448 0.000 1.108 24 S CA -0.846 57.446 58.200 0.154 0.000 0.944 24 S CB 2.014 65.375 63.200 0.269 0.000 1.127 24 S HN 0.846 nan 8.310 nan 0.000 0.511 25 L N 1.821 123.325 121.223 0.469 0.000 2.409 25 L HA 0.717 4.420 4.340 -1.061 0.000 0.272 25 L C -1.734 175.437 176.870 0.501 0.000 0.980 25 L CA -0.678 54.471 54.840 0.515 0.000 0.826 25 L CB 1.325 43.646 42.059 0.437 0.000 1.268 25 L HN 0.505 nan 8.230 nan 0.000 0.407 26 V N 4.542 124.748 119.914 0.487 0.000 2.435 26 V HA 0.811 4.294 4.120 -1.061 0.000 0.290 26 V C -0.343 175.932 176.094 0.302 0.000 1.030 26 V CA -0.670 61.877 62.300 0.412 0.000 0.881 26 V CB 1.435 33.513 31.823 0.425 0.000 0.983 26 V HN 0.584 nan 8.190 nan 0.000 0.445 27 V N 2.658 122.630 119.914 0.098 0.000 3.204 27 V HA 0.938 4.421 4.120 -1.061 0.000 0.298 27 V C -0.986 175.026 176.094 -0.138 0.000 1.328 27 V CA 0.083 62.292 62.300 -0.151 0.000 1.035 27 V CB 2.407 33.681 31.823 -0.914 0.000 1.095 27 V HN 1.456 nan 8.190 nan 0.000 0.442 28 A N 3.881 126.643 122.820 -0.096 0.000 2.365 28 A HA 1.016 4.699 4.320 -1.061 0.000 0.318 28 A C -0.717 176.894 177.584 0.044 0.000 1.091 28 A CA 0.027 52.065 52.037 0.001 0.000 0.763 28 A CB 1.818 20.910 19.000 0.153 0.000 1.248 28 A HN 2.186 nan 8.150 nan 0.000 0.442 29 V N -0.731 119.156 119.914 -0.043 0.000 3.202 29 V HA 0.852 4.335 4.120 -1.061 0.000 0.306 29 V C -1.107 174.748 176.094 -0.398 0.000 1.283 29 V CA -0.752 61.502 62.300 -0.076 0.000 1.065 29 V CB 1.832 33.588 31.823 -0.112 0.000 1.079 29 V HN 1.008 nan 8.190 nan 0.000 0.448 30 D N -0.838 119.241 120.400 -0.534 0.000 2.387 30 D HA 0.357 4.361 4.640 -1.061 0.000 0.255 30 D C 0.621 176.651 176.300 -0.451 0.000 1.081 30 D CA -0.414 53.160 54.000 -0.710 0.000 0.994 30 D CB 1.000 41.291 40.800 -0.849 0.000 1.127 30 D HN 0.698 nan 8.370 nan 0.000 0.513 31 E N -1.284 118.628 120.200 -0.480 0.000 2.393 31 E HA -0.209 3.505 4.350 -1.061 0.000 0.201 31 E C 0.758 177.133 176.600 -0.374 0.000 1.025 31 E CA 0.927 57.089 56.400 -0.396 0.000 0.856 31 E CB -0.131 29.308 29.700 -0.435 0.000 0.771 31 E HN 0.431 nan 8.360 nan 0.000 0.526 32 H N -1.707 117.271 119.070 -0.153 0.000 2.622 32 H HA 0.214 4.133 4.556 -1.061 0.000 0.269 32 H C 1.563 176.779 175.328 -0.187 0.000 0.977 32 H CA 0.826 56.809 56.048 -0.108 0.000 1.179 32 H CB 1.387 31.075 29.762 -0.123 0.000 1.458 32 H HN 0.321 nan 8.280 nan 0.000 0.531 33 G N 0.365 109.069 108.800 -0.159 0.000 2.195 33 G HA2 -0.226 3.097 3.960 -1.061 0.000 0.224 33 G HA3 -0.226 3.097 3.960 -1.061 0.000 0.224 33 G C 0.940 175.683 174.900 -0.262 0.000 0.990 33 G CA -0.017 45.006 45.100 -0.127 0.000 0.639 33 G HN 0.718 nan 8.290 nan 0.000 0.514 34 G N 0.109 108.644 108.800 -0.441 0.000 2.559 34 G HA2 0.516 3.839 3.960 -1.061 0.000 0.235 34 G HA3 0.516 3.839 3.960 -1.061 0.000 0.235 34 G C 1.187 176.165 174.900 0.130 0.000 1.266 34 G CA 0.443 45.399 45.100 -0.242 0.000 0.847 34 G HN 1.359 nan 8.290 nan 0.000 0.583 35 I N -1.214 119.493 120.570 0.229 0.000 4.398 35 I HA 0.529 4.063 4.170 -1.061 0.000 0.310 35 I C 0.808 176.983 176.117 0.098 0.000 1.232 35 I CA 0.068 61.527 61.300 0.266 0.000 1.312 35 I CB 0.780 38.897 38.000 0.195 0.000 1.347 35 I HN 0.615 nan 8.210 nan 0.000 0.454 36 G N 1.300 110.126 108.800 0.043 0.000 2.719 36 G HA2 0.208 3.532 3.960 -1.061 0.000 0.298 36 G HA3 0.208 3.532 3.960 -1.061 0.000 0.298 36 G C -1.604 173.258 174.900 -0.063 0.000 1.411 36 G CA -0.260 44.767 45.100 -0.122 0.000 0.991 36 G HN 0.123 nan 8.290 nan 0.000 0.509 37 D N 1.275 121.592 120.400 -0.139 0.000 2.934 37 D HA 0.303 4.306 4.640 -1.061 0.000 0.237 37 D C 1.628 177.903 176.300 -0.042 0.000 1.158 37 D CA 1.081 55.047 54.000 -0.057 0.000 0.971 37 D CB -0.415 40.338 40.800 -0.079 0.000 1.123 37 D HN 0.945 nan 8.370 nan 0.000 0.467 38 G N 2.705 111.494 108.800 -0.018 0.000 2.990 38 G HA2 -0.398 2.925 3.960 -1.061 0.000 0.225 38 G HA3 -0.398 2.925 3.960 -1.061 0.000 0.225 38 G C 1.251 176.135 174.900 -0.027 0.000 1.304 38 G CA 0.660 45.755 45.100 -0.008 0.000 0.816 38 G HN 0.561 nan 8.290 nan 0.000 0.528 39 R N -0.296 120.171 120.500 -0.054 0.000 2.635 39 R HA 0.477 4.180 4.340 -1.061 0.000 0.241 39 R C 0.993 177.233 176.300 -0.101 0.000 0.941 39 R CA 1.023 57.085 56.100 -0.063 0.000 1.014 39 R CB 0.266 30.536 30.300 -0.051 0.000 1.517 39 R HN 1.077 nan 8.270 nan 0.000 0.594 40 S N 0.701 116.323 115.700 -0.131 0.000 2.709 40 S HA 0.646 4.480 4.470 -1.061 0.000 0.302 40 S C -0.314 174.108 174.600 -0.297 0.000 1.127 40 S CA -0.946 57.142 58.200 -0.186 0.000 0.905 40 S CB 1.726 64.832 63.200 -0.157 0.000 1.151 40 S HN 0.179 nan 8.310 nan 0.000 0.510 41 I N 1.995 122.320 120.570 -0.408 0.000 2.371 41 I HA 0.337 3.871 4.170 -1.061 0.000 0.282 41 I C -1.729 174.002 176.117 -0.644 0.000 1.031 41 I CA -2.284 58.554 61.300 -0.770 0.000 1.180 41 I CB 1.854 39.356 38.000 -0.830 0.000 1.336 41 I HN 0.567 nan 8.210 nan 0.000 0.467 42 P HA -0.116 nan 4.420 nan 0.000 0.236 42 P C -0.451 176.857 177.300 0.013 0.000 1.172 42 P CA 0.869 63.877 63.100 -0.153 0.000 0.759 42 P CB -0.357 31.352 31.700 0.016 0.000 0.843 43 W N 1.185 122.453 121.300 -0.054 0.000 2.319 43 W HA 0.440 4.463 4.660 -1.061 0.000 0.288 43 W C -0.743 175.730 176.519 -0.077 0.000 0.959 43 W CA -1.956 55.351 57.345 -0.063 0.000 1.784 43 W CB -1.281 28.136 29.460 -0.071 0.000 1.848 43 W HN -0.205 nan 8.180 nan 0.000 0.408 44 N N 1.330 120.036 118.700 0.010 0.000 2.470 44 N HA 0.345 4.449 4.740 -1.061 0.000 0.268 44 N C -1.389 174.133 175.510 0.020 0.000 1.136 44 N CA -0.367 52.668 53.050 -0.025 0.000 0.961 44 N CB 1.457 39.912 38.487 -0.053 0.000 1.067 44 N HN 0.184 nan 8.380 nan 0.000 0.468 45 V N 5.521 125.435 119.914 -0.001 0.000 2.376 45 V HA 0.293 3.776 4.120 -1.061 0.000 0.287 45 V C -1.443 174.606 176.094 -0.075 0.000 1.015 45 V CA -1.587 60.679 62.300 -0.056 0.000 0.834 45 V CB 1.475 33.204 31.823 -0.157 0.000 1.001 45 V HN 0.697 nan 8.190 nan 0.000 0.428 46 P HA -0.227 nan 4.420 nan 0.000 0.216 46 P C 1.349 178.642 177.300 -0.012 0.000 1.167 46 P CA 1.562 64.651 63.100 -0.019 0.000 0.933 46 P CB 0.410 32.111 31.700 0.002 0.000 0.793 47 E N -0.739 119.439 120.200 -0.036 0.000 2.049 47 E HA -0.232 3.482 4.350 -1.061 0.000 0.198 47 E C 1.884 178.535 176.600 0.085 0.000 1.007 47 E CA 1.822 58.240 56.400 0.030 0.000 0.809 47 E CB -1.159 28.571 29.700 0.050 0.000 0.749 47 E HN 0.388 nan 8.360 nan 0.000 0.450 48 D N -0.543 119.814 120.400 -0.072 0.000 2.123 48 D HA -0.202 3.801 4.640 -1.061 0.000 0.196 48 D C 1.899 178.325 176.300 0.210 0.000 0.992 48 D CA 1.274 55.342 54.000 0.113 0.000 0.833 48 D CB -0.039 40.718 40.800 -0.072 0.000 0.954 48 D HN 0.075 nan 8.370 nan 0.000 0.455 49 M N 0.115 119.772 119.600 0.094 0.000 2.117 49 M HA -0.109 3.734 4.480 -1.061 0.000 0.262 49 M C 2.047 178.426 176.300 0.130 0.000 1.065 49 M CA 1.442 56.799 55.300 0.095 0.000 1.114 49 M CB -0.126 32.482 32.600 0.012 0.000 1.361 49 M HN -0.067 nan 8.290 nan 0.000 0.408 50 K N -0.793 119.666 120.400 0.097 0.000 2.097 50 K HA -0.214 3.469 4.320 -1.061 0.000 0.206 50 K C 1.921 178.557 176.600 0.059 0.000 1.049 50 K CA 1.513 57.835 56.287 0.059 0.000 0.933 50 K CB -0.381 32.150 32.500 0.052 0.000 0.717 50 K HN 0.330 nan 8.250 nan 0.000 0.442 51 F N 1.032 120.967 119.950 -0.026 0.000 2.075 51 F HA -0.188 3.702 4.527 -1.061 0.000 0.297 51 F C 1.914 177.632 175.800 -0.137 0.000 1.113 51 F CA 1.619 59.549 58.000 -0.116 0.000 1.218 51 F CB -0.616 38.304 39.000 -0.134 0.000 0.984 51 F HN 0.094 nan 8.300 nan 0.000 0.472 52 F N 1.255 121.155 119.950 -0.083 0.000 2.095 52 F HA -0.213 3.677 4.527 -1.061 0.000 0.298 52 F C 2.694 178.302 175.800 -0.320 0.000 1.104 52 F CA 2.247 60.108 58.000 -0.232 0.000 1.232 52 F CB -0.624 38.340 39.000 -0.061 0.000 0.987 52 F HN -0.036 nan 8.300 nan 0.000 0.475 53 R N 0.484 120.907 120.500 -0.128 0.000 2.080 53 R HA -0.191 3.512 4.340 -1.061 0.000 0.236 53 R C 2.051 178.132 176.300 -0.364 0.000 1.137 53 R CA 2.319 58.299 56.100 -0.200 0.000 0.943 53 R CB -0.646 29.621 30.300 -0.055 0.000 0.846 53 R HN 0.292 nan 8.270 nan 0.000 0.431 54 D N 0.376 120.563 120.400 -0.356 0.000 2.084 54 D HA -0.166 3.837 4.640 -1.061 0.000 0.196 54 D C 1.938 177.915 176.300 -0.539 0.000 0.985 54 D CA 1.186 54.963 54.000 -0.371 0.000 0.826 54 D CB -0.352 40.269 40.800 -0.298 0.000 0.978 54 D HN 0.174 nan 8.370 nan 0.000 0.456 55 L N 1.125 121.844 121.223 -0.839 0.000 1.971 55 L HA -0.224 3.479 4.340 -1.061 0.000 0.215 55 L C 2.463 178.746 176.870 -0.978 0.000 1.072 55 L CA 2.779 57.006 54.840 -1.021 0.000 0.758 55 L CB -1.281 39.868 42.059 -1.517 0.000 0.889 55 L HN 0.152 nan 8.230 nan 0.000 0.433 56 T N -5.523 108.347 114.554 -1.140 0.000 2.951 56 T HA -0.088 3.626 4.350 -1.061 0.000 0.268 56 T C 1.592 176.034 174.700 -0.430 0.000 1.073 56 T CA 1.497 62.989 62.100 -1.012 0.000 1.134 56 T CB -0.805 67.367 68.868 -1.160 0.000 0.884 56 T HN 0.436 nan 8.240 nan 0.000 0.479 57 T N 0.994 115.323 114.554 -0.375 0.000 3.010 57 T HA 0.178 3.892 4.350 -1.061 0.000 0.252 57 T C 0.828 175.448 174.700 -0.135 0.000 1.047 57 T CA 0.235 62.218 62.100 -0.195 0.000 1.140 57 T CB 0.029 68.795 68.868 -0.171 0.000 0.885 57 T HN 0.418 nan 8.240 nan 0.000 0.464 58 K N 1.460 121.756 120.400 -0.173 0.000 2.355 58 K HA 0.374 4.057 4.320 -1.061 0.000 0.270 58 K C -0.504 176.058 176.600 -0.064 0.000 1.003 58 K CA 0.052 56.269 56.287 -0.116 0.000 0.957 58 K CB 0.510 32.924 32.500 -0.143 0.000 0.939 58 K HN 0.194 nan 8.250 nan 0.000 0.482 59 L N 2.236 123.436 121.223 -0.038 0.000 2.322 59 L HA 0.460 4.163 4.340 -1.061 0.000 0.269 59 L C 0.243 177.103 176.870 -0.016 0.000 1.012 59 L CA -1.198 53.634 54.840 -0.013 0.000 0.815 59 L CB 1.403 43.460 42.059 -0.004 0.000 1.295 59 L HN 0.469 nan 8.230 nan 0.000 0.438 60 R N 0.892 121.387 120.500 -0.008 0.000 2.570 60 R HA 0.382 4.085 4.340 -1.061 0.000 0.277 60 R C 0.245 176.539 176.300 -0.010 0.000 1.039 60 R CA 0.530 56.622 56.100 -0.014 0.000 1.065 60 R CB 0.179 30.469 30.300 -0.017 0.000 0.964 60 R HN 0.893 nan 8.270 nan 0.000 0.428 61 G N 2.524 111.316 108.800 -0.013 0.000 3.292 61 G HA2 -0.233 3.091 3.960 -1.061 0.000 0.636 61 G HA3 -0.233 3.091 3.960 -1.061 0.000 0.636 61 G C -0.566 174.329 174.900 -0.009 0.000 1.069 61 G CA -0.762 44.334 45.100 -0.006 0.000 0.890 61 G HN 0.500 nan 8.290 nan 0.000 0.427 62 K N 0.859 121.253 120.400 -0.010 0.000 2.295 62 K HA 0.431 4.114 4.320 -1.061 0.000 0.270 62 K C 1.160 177.755 176.600 -0.008 0.000 1.011 62 K CA 0.371 56.651 56.287 -0.013 0.000 0.953 62 K CB 0.257 32.748 32.500 -0.014 0.000 0.956 62 K HN 0.682 nan 8.250 nan 0.000 0.477 63 N N -0.821 117.873 118.700 -0.010 0.000 3.018 63 N HA -0.144 3.959 4.740 -1.061 0.000 0.209 63 N C -1.792 173.716 175.510 -0.004 0.000 0.928 63 N CA 0.461 53.508 53.050 -0.006 0.000 1.032 63 N CB -0.560 37.925 38.487 -0.002 0.000 1.036 63 N HN 0.150 nan 8.380 nan 0.000 0.552 64 V N 1.636 121.547 119.914 -0.006 0.000 2.376 64 V HA 0.324 3.808 4.120 -1.061 0.000 0.287 64 V C 0.355 176.445 176.094 -0.007 0.000 1.015 64 V CA -0.870 61.429 62.300 -0.003 0.000 0.834 64 V CB 1.531 33.355 31.823 0.001 0.000 1.001 64 V HN 0.153 nan 8.190 nan 0.000 0.428 65 K N 4.867 125.264 120.400 -0.006 0.000 2.144 65 K HA 0.655 4.338 4.320 -1.061 0.000 0.270 65 K C -2.713 173.885 176.600 -0.002 0.000 1.005 65 K CA -1.584 54.698 56.287 -0.008 0.000 0.932 65 K CB 0.836 33.332 32.500 -0.006 0.000 1.021 65 K HN 0.289 nan 8.250 nan 0.000 0.462 66 P HA -0.011 nan 4.420 nan 0.000 0.269 66 P C -1.068 176.240 177.300 0.013 0.000 1.217 66 P CA -0.116 62.988 63.100 0.006 0.000 0.783 66 P CB 0.783 32.485 31.700 0.004 0.000 0.898 67 S N 0.155 115.867 115.700 0.020 0.000 2.611 67 S HA 0.445 4.279 4.470 -1.061 0.000 0.268 67 S C -2.598 172.020 174.600 0.030 0.000 1.156 67 S CA -1.177 57.036 58.200 0.022 0.000 0.817 67 S CB 1.141 64.350 63.200 0.016 0.000 1.122 67 S HN 0.060 nan 8.310 nan 0.000 0.466 68 P HA 0.178 nan 4.420 nan 0.000 0.225 68 P C 0.885 178.203 177.300 0.029 0.000 1.148 68 P CA 1.321 64.441 63.100 0.033 0.000 0.779 68 P CB -0.056 31.658 31.700 0.024 0.000 0.780 69 A N -2.033 120.801 122.820 0.023 0.000 2.348 69 A HA 0.271 3.954 4.320 -1.061 0.000 0.224 69 A C 0.707 178.307 177.584 0.026 0.000 1.227 69 A CA 0.390 52.438 52.037 0.019 0.000 0.885 69 A CB -0.126 18.881 19.000 0.012 0.000 0.933 69 A HN -0.024 nan 8.150 nan 0.000 0.506 70 K N 0.387 120.806 120.400 0.031 0.000 2.636 70 K HA 0.348 4.032 4.320 -1.061 0.000 0.286 70 K C -0.808 175.812 176.600 0.033 0.000 1.100 70 K CA -0.154 56.153 56.287 0.033 0.000 0.991 70 K CB 0.384 32.899 32.500 0.026 0.000 1.323 70 K HN 0.568 nan 8.250 nan 0.000 0.478 71 R N 1.162 121.687 120.500 0.042 0.000 2.756 71 R HA 0.572 4.276 4.340 -1.061 0.000 0.273 71 R C -1.013 175.314 176.300 0.045 0.000 1.030 71 R CA -1.153 54.971 56.100 0.040 0.000 0.887 71 R CB 0.575 30.902 30.300 0.046 0.000 1.274 71 R HN 0.308 nan 8.270 nan 0.000 0.461 72 N N -0.682 118.047 118.700 0.049 0.000 2.472 72 N HA 0.647 4.750 4.740 -1.061 0.000 0.289 72 N C -1.068 174.481 175.510 0.065 0.000 1.156 72 N CA -0.440 52.650 53.050 0.066 0.000 0.940 72 N CB 1.961 40.529 38.487 0.134 0.000 1.200 72 N HN 0.702 nan 8.380 nan 0.000 0.511 73 A N 0.016 122.869 122.820 0.055 0.000 2.350 73 A HA 0.783 4.467 4.320 -1.061 0.000 0.318 73 A C -0.483 177.152 177.584 0.086 0.000 1.132 73 A CA -0.630 51.427 52.037 0.033 0.000 0.811 73 A CB 0.967 19.939 19.000 -0.047 0.000 1.313 73 A HN 0.454 nan 8.150 nan 0.000 0.454 74 V N -1.528 118.431 119.914 0.076 0.000 2.876 74 V HA 0.852 4.335 4.120 -1.061 0.000 0.312 74 V C -0.870 175.257 176.094 0.055 0.000 1.085 74 V CA -0.757 61.621 62.300 0.130 0.000 0.945 74 V CB 1.280 33.219 31.823 0.192 0.000 1.017 74 V HN 0.761 nan 8.190 nan 0.000 0.428 75 V N 5.528 125.468 119.914 0.043 0.000 2.487 75 V HA 0.733 4.217 4.120 -1.061 0.000 0.298 75 V C -0.048 176.036 176.094 -0.017 0.000 1.028 75 V CA -0.318 61.961 62.300 -0.035 0.000 0.860 75 V CB 1.419 33.175 31.823 -0.112 0.000 0.991 75 V HN 1.155 nan 8.190 nan 0.000 0.427 76 M N 3.069 122.656 119.600 -0.021 0.000 2.531 76 M HA 0.848 4.692 4.480 -1.061 0.000 0.286 76 M C 0.100 176.383 176.300 -0.028 0.000 1.232 76 M CA -0.457 54.833 55.300 -0.018 0.000 0.877 76 M CB 2.216 34.850 32.600 0.057 0.000 1.726 76 M HN 0.634 nan 8.290 nan 0.000 0.463 77 G N 1.303 110.075 108.800 -0.046 0.000 2.636 77 G HA2 0.168 3.492 3.960 -1.061 0.000 0.246 77 G HA3 0.168 3.492 3.960 -1.061 0.000 0.246 77 G C 0.461 175.378 174.900 0.029 0.000 1.216 77 G CA -0.444 44.638 45.100 -0.030 0.000 0.854 77 G HN 0.913 nan 8.290 nan 0.000 0.572 78 R N 0.342 120.860 120.500 0.030 0.000 2.075 78 R HA -0.051 3.652 4.340 -1.061 0.000 0.232 78 R C 2.353 178.727 176.300 0.122 0.000 1.126 78 R CA 1.487 57.638 56.100 0.086 0.000 0.963 78 R CB -0.451 29.878 30.300 0.047 0.000 0.858 78 R HN 0.635 nan 8.270 nan 0.000 0.435 79 K N -0.590 119.844 120.400 0.057 0.000 2.152 79 K HA -0.100 3.583 4.320 -1.061 0.000 0.206 79 K C 2.043 178.654 176.600 0.019 0.000 1.048 79 K CA 1.803 58.109 56.287 0.032 0.000 0.933 79 K CB -0.098 32.406 32.500 0.007 0.000 0.721 79 K HN 0.196 nan 8.250 nan 0.000 0.447 80 T N 0.610 115.179 114.554 0.024 0.000 2.770 80 T HA -0.151 3.563 4.350 -1.061 0.000 0.263 80 T C 1.194 175.915 174.700 0.035 0.000 1.039 80 T CA 0.813 62.911 62.100 -0.004 0.000 1.142 80 T CB -0.212 68.640 68.868 -0.026 0.000 0.868 80 T HN 0.472 nan 8.240 nan 0.000 0.435 81 W N 2.258 123.521 121.300 -0.062 0.000 2.350 81 W HA -0.166 3.857 4.660 -1.061 0.000 0.289 81 W C 1.072 177.564 176.519 -0.045 0.000 1.215 81 W CA 1.259 58.576 57.345 -0.047 0.000 1.236 81 W CB -0.264 29.174 29.460 -0.037 0.000 1.130 81 W HN 0.245 nan 8.180 nan 0.000 0.541 82 D N 0.004 120.404 120.400 -0.001 0.000 2.269 82 D HA -0.133 3.870 4.640 -1.061 0.000 0.208 82 D C 2.348 178.551 176.300 -0.161 0.000 0.963 82 D CA 1.777 55.720 54.000 -0.095 0.000 0.864 82 D CB -0.304 40.505 40.800 0.015 0.000 0.936 82 D HN 0.204 nan 8.370 nan 0.000 0.505 83 S N -0.450 115.166 115.700 -0.142 0.000 2.603 83 S HA 0.077 3.911 4.470 -1.061 0.000 0.220 83 S C 0.829 175.322 174.600 -0.179 0.000 0.967 83 S CA -0.281 57.832 58.200 -0.144 0.000 0.920 83 S CB -0.205 62.921 63.200 -0.123 0.000 0.773 83 S HN 0.085 nan 8.310 nan 0.000 0.529 84 I N 3.931 124.347 120.570 -0.256 0.000 2.315 84 I HA 0.317 3.850 4.170 -1.061 0.000 0.291 84 I C -2.275 173.677 176.117 -0.275 0.000 1.006 84 I CA -2.808 58.337 61.300 -0.257 0.000 1.265 84 I CB 1.339 39.126 38.000 -0.355 0.000 1.387 84 I HN 0.009 nan 8.210 nan 0.000 0.475 85 P HA 0.025 nan 4.420 nan 0.000 0.261 85 P C -2.264 174.847 177.300 -0.315 0.000 1.183 85 P CA -0.954 61.987 63.100 -0.265 0.000 0.761 85 P CB 0.110 31.611 31.700 -0.331 0.000 0.785 86 P HA -0.214 nan 4.420 nan 0.000 0.219 86 P C 1.430 178.586 177.300 -0.240 0.000 1.145 86 P CA 2.022 64.967 63.100 -0.259 0.000 0.813 86 P CB -0.163 31.425 31.700 -0.186 0.000 0.771 87 K N -2.024 118.180 120.400 -0.328 0.000 2.228 87 K HA -0.015 3.668 4.320 -1.061 0.000 0.202 87 K C 0.958 177.431 176.600 -0.212 0.000 1.051 87 K CA 1.217 57.304 56.287 -0.333 0.000 0.960 87 K CB -0.575 31.621 32.500 -0.507 0.000 0.743 87 K HN 0.081 nan 8.250 nan 0.000 0.458 88 F N 1.750 121.619 119.950 -0.135 0.000 2.727 88 F HA 0.337 4.227 4.527 -1.061 0.000 0.302 88 F C 0.411 176.103 175.800 -0.181 0.000 1.097 88 F CA -0.860 57.063 58.000 -0.128 0.000 1.330 88 F CB -0.037 38.896 39.000 -0.113 0.000 1.084 88 F HN -0.191 nan 8.300 nan 0.000 0.578 89 R N 2.194 122.625 120.500 -0.114 0.000 2.308 89 R HA 0.279 3.983 4.340 -1.061 0.000 0.305 89 R C -2.420 173.746 176.300 -0.225 0.000 1.053 89 R CA -1.490 54.453 56.100 -0.261 0.000 0.957 89 R CB 0.687 30.689 30.300 -0.497 0.000 1.022 89 R HN -0.077 nan 8.270 nan 0.000 0.461 90 P HA 0.145 nan 4.420 nan 0.000 0.283 90 P C -0.671 176.643 177.300 0.024 0.000 1.278 90 P CA -0.604 62.523 63.100 0.046 0.000 0.834 90 P CB 0.850 32.728 31.700 0.296 0.000 1.150 91 L N 1.885 123.165 121.223 0.096 0.000 2.584 91 L HA 0.115 3.818 4.340 -1.061 0.000 0.272 91 L C -1.523 175.396 176.870 0.082 0.000 1.195 91 L CA -1.381 53.511 54.840 0.086 0.000 0.920 91 L CB -0.703 41.440 42.059 0.140 0.000 1.173 91 L HN 0.255 nan 8.230 nan 0.000 0.489 92 P HA 0.073 nan 4.420 nan 0.000 0.274 92 P C 0.725 178.056 177.300 0.053 0.000 1.231 92 P CA 0.266 63.414 63.100 0.080 0.000 0.790 92 P CB 1.259 33.004 31.700 0.074 0.000 0.951 93 G N 1.360 110.198 108.800 0.064 0.000 2.148 93 G HA2 -0.244 3.079 3.960 -1.061 0.000 0.254 93 G HA3 -0.244 3.079 3.960 -1.061 0.000 0.254 93 G C 0.134 175.053 174.900 0.031 0.000 0.981 93 G CA 0.088 45.209 45.100 0.035 0.000 0.670 93 G HN 0.688 nan 8.290 nan 0.000 0.528 94 R N -1.268 119.264 120.500 0.054 0.000 2.739 94 R HA 0.649 4.353 4.340 -1.061 0.000 0.271 94 R C -0.541 175.804 176.300 0.076 0.000 1.010 94 R CA -0.997 55.136 56.100 0.055 0.000 0.897 94 R CB 1.353 31.678 30.300 0.043 0.000 1.236 94 R HN 0.114 nan 8.270 nan 0.000 0.466 95 L N 2.523 123.784 121.223 0.063 0.000 2.278 95 L HA 0.338 4.042 4.340 -1.061 0.000 0.287 95 L C -0.848 176.040 176.870 0.030 0.000 1.072 95 L CA -0.103 54.767 54.840 0.050 0.000 0.819 95 L CB 0.475 42.549 42.059 0.026 0.000 1.176 95 L HN 0.653 nan 8.230 nan 0.000 0.435 96 N N 4.901 123.627 118.700 0.044 0.000 2.420 96 N HA 0.212 4.315 4.740 -1.061 0.000 0.249 96 N C -0.866 174.593 175.510 -0.086 0.000 1.033 96 N CA -0.462 52.611 53.050 0.038 0.000 0.944 96 N CB 1.825 40.404 38.487 0.153 0.000 1.113 96 N HN 0.317 nan 8.380 nan 0.000 0.502 97 V N 3.045 122.899 119.914 -0.099 0.000 2.370 97 V HA 0.316 3.800 4.120 -1.061 0.000 0.283 97 V C 0.314 176.307 176.094 -0.167 0.000 1.023 97 V CA -0.722 61.478 62.300 -0.167 0.000 0.857 97 V CB 1.604 33.318 31.823 -0.183 0.000 0.985 97 V HN 0.274 nan 8.190 nan 0.000 0.443 98 V N 6.144 125.911 119.914 -0.244 0.000 2.459 98 V HA 0.452 3.936 4.120 -1.061 0.000 0.295 98 V C -0.107 175.879 176.094 -0.179 0.000 1.029 98 V CA -0.627 61.529 62.300 -0.240 0.000 0.874 98 V CB 1.919 33.457 31.823 -0.475 0.000 0.985 98 V HN 0.660 nan 8.190 nan 0.000 0.438 99 L N 4.151 125.302 121.223 -0.121 0.000 2.260 99 L HA 0.651 4.355 4.340 -1.061 0.000 0.289 99 L C 0.178 177.002 176.870 -0.076 0.000 1.057 99 L CA 0.338 55.120 54.840 -0.095 0.000 0.811 99 L CB 1.195 43.207 42.059 -0.078 0.000 1.184 99 L HN 0.719 nan 8.230 nan 0.000 0.429 100 S N 0.771 116.426 115.700 -0.076 0.000 2.543 100 S HA 0.312 4.146 4.470 -1.061 0.000 0.273 100 S C 0.220 174.795 174.600 -0.042 0.000 1.152 100 S CA -0.303 57.867 58.200 -0.051 0.000 0.910 100 S CB 1.828 64.994 63.200 -0.057 0.000 1.105 100 S HN 0.623 nan 8.310 nan 0.000 0.465 101 S N 1.802 117.488 115.700 -0.023 0.000 2.554 101 S HA 0.153 3.986 4.470 -1.061 0.000 0.226 101 S C 1.039 175.636 174.600 -0.005 0.000 0.980 101 S CA 0.637 58.826 58.200 -0.018 0.000 0.939 101 S CB -0.149 63.044 63.200 -0.012 0.000 0.832 101 S HN 0.884 nan 8.310 nan 0.000 0.486 102 T N -0.719 113.839 114.554 0.007 0.000 2.964 102 T HA 0.456 4.169 4.350 -1.061 0.000 0.250 102 T C 0.284 175.032 174.700 0.080 0.000 0.982 102 T CA -0.324 61.799 62.100 0.038 0.000 0.959 102 T CB -0.167 68.728 68.868 0.044 0.000 1.141 102 T HN 0.276 nan 8.240 nan 0.000 0.494 103 L N 3.117 124.369 121.223 0.049 0.000 2.329 103 L HA 0.626 4.330 4.340 -1.061 0.000 0.279 103 L C 0.367 177.202 176.870 -0.059 0.000 1.014 103 L CA -0.983 53.905 54.840 0.080 0.000 0.814 103 L CB 2.007 44.107 42.059 0.070 0.000 1.257 103 L HN 0.270 nan 8.230 nan 0.000 0.424 104 T N -2.390 112.060 114.554 -0.172 0.000 2.912 104 T HA 0.206 3.920 4.350 -1.061 0.000 0.280 104 T C 1.104 175.717 174.700 -0.145 0.000 0.989 104 T CA -0.484 61.488 62.100 -0.214 0.000 0.995 104 T CB 1.591 70.249 68.868 -0.351 0.000 1.077 104 T HN 0.573 nan 8.240 nan 0.000 0.531 105 T N 0.855 115.332 114.554 -0.127 0.000 2.653 105 T HA -0.207 3.507 4.350 -1.061 0.000 0.268 105 T C 1.934 176.600 174.700 -0.056 0.000 1.035 105 T CA 2.097 64.135 62.100 -0.103 0.000 1.154 105 T CB -0.534 68.290 68.868 -0.072 0.000 0.862 105 T HN 0.751 nan 8.240 nan 0.000 0.441 106 Q N 0.741 120.510 119.800 -0.052 0.000 2.061 106 Q HA -0.151 3.552 4.340 -1.061 0.000 0.204 106 Q C 1.917 177.982 176.000 0.109 0.000 0.984 106 Q CA 1.915 57.724 55.803 0.010 0.000 0.846 106 Q CB -0.629 28.100 28.738 -0.015 0.000 0.902 106 Q HN 0.792 nan 8.270 nan 0.000 0.421 107 H N -1.124 117.940 119.070 -0.010 0.000 2.321 107 H HA -0.129 3.791 4.556 -1.061 0.000 0.300 107 H C 1.849 177.193 175.328 0.027 0.000 1.087 107 H CA 1.037 57.089 56.048 0.006 0.000 1.319 107 H CB 0.127 29.887 29.762 -0.002 0.000 1.379 107 H HN 0.177 nan 8.280 nan 0.000 0.501 108 L N 0.038 121.335 121.223 0.123 0.000 2.079 108 L HA -0.203 3.500 4.340 -1.061 0.000 0.210 108 L C 2.300 179.273 176.870 0.172 0.000 1.081 108 L CA 0.883 55.784 54.840 0.101 0.000 0.752 108 L CB -0.450 41.483 42.059 -0.210 0.000 0.896 108 L HN 0.214 nan 8.230 nan 0.000 0.433 109 L N -0.553 120.737 121.223 0.111 0.000 1.994 109 L HA -0.239 3.465 4.340 -1.061 0.000 0.208 109 L C 2.212 179.155 176.870 0.122 0.000 1.071 109 L CA 1.761 56.674 54.840 0.121 0.000 0.745 109 L CB -0.927 41.184 42.059 0.087 0.000 0.892 109 L HN 0.295 nan 8.230 nan 0.000 0.431 110 D N -0.616 119.850 120.400 0.110 0.000 2.172 110 D HA -0.207 3.796 4.640 -1.061 0.000 0.196 110 D C 2.063 178.406 176.300 0.072 0.000 0.999 110 D CA 1.495 55.543 54.000 0.081 0.000 0.856 110 D CB -0.484 40.354 40.800 0.064 0.000 0.934 110 D HN 0.496 nan 8.370 nan 0.000 0.453 111 G N 0.814 109.676 108.800 0.103 0.000 2.450 111 G HA2 -0.147 3.176 3.960 -1.061 0.000 0.220 111 G HA3 -0.147 3.176 3.960 -1.061 0.000 0.220 111 G C 0.914 175.853 174.900 0.066 0.000 1.130 111 G CA 0.077 45.233 45.100 0.093 0.000 0.760 111 G HN 0.240 nan 8.290 nan 0.000 0.557 112 L N 1.693 122.972 121.223 0.094 0.000 2.514 112 L HA 0.053 3.757 4.340 -1.061 0.000 0.280 112 L C -0.410 176.479 176.870 0.031 0.000 1.223 112 L CA -1.186 53.688 54.840 0.057 0.000 0.864 112 L CB 0.434 42.550 42.059 0.095 0.000 1.118 112 L HN 0.075 nan 8.230 nan 0.000 0.494 113 P HA -0.211 nan 4.420 nan 0.000 0.217 113 P C -0.123 177.183 177.300 0.011 0.000 1.162 113 P CA 1.651 64.747 63.100 -0.006 0.000 0.901 113 P CB -0.094 31.592 31.700 -0.023 0.000 0.793 114 D N -3.665 116.752 120.400 0.028 0.000 2.566 114 D HA 0.205 4.208 4.640 -1.061 0.000 0.254 114 D C 1.049 177.376 176.300 0.045 0.000 1.090 114 D CA -0.855 53.163 54.000 0.030 0.000 1.034 114 D CB 0.766 41.582 40.800 0.025 0.000 1.434 114 D HN -0.304 nan 8.370 nan 0.000 0.509 115 E N 0.275 120.497 120.200 0.037 0.000 2.017 115 E HA -0.229 3.485 4.350 -1.061 0.000 0.193 115 E C 1.614 178.241 176.600 0.046 0.000 0.997 115 E CA 1.287 57.711 56.400 0.040 0.000 0.804 115 E CB -0.400 29.317 29.700 0.029 0.000 0.757 115 E HN 0.814 nan 8.360 nan 0.000 0.448 116 E N 1.231 121.452 120.200 0.036 0.000 2.095 116 E HA -0.338 3.375 4.350 -1.061 0.000 0.212 116 E C 2.115 178.741 176.600 0.044 0.000 1.044 116 E CA 2.368 58.786 56.400 0.030 0.000 0.857 116 E CB -0.195 29.520 29.700 0.025 0.000 0.764 116 E HN 0.066 nan 8.360 nan 0.000 0.462 117 K N 0.281 120.730 120.400 0.083 0.000 2.063 117 K HA -0.158 3.526 4.320 -1.061 0.000 0.208 117 K C 2.434 179.165 176.600 0.219 0.000 1.048 117 K CA 1.599 57.991 56.287 0.176 0.000 0.928 117 K CB -0.068 32.553 32.500 0.202 0.000 0.713 117 K HN 0.089 nan 8.250 nan 0.000 0.442 118 R N 0.163 120.750 120.500 0.146 0.000 2.159 118 R HA -0.073 3.631 4.340 -1.061 0.000 0.237 118 R C 1.765 178.126 176.300 0.102 0.000 1.131 118 R CA 1.330 57.511 56.100 0.134 0.000 0.982 118 R CB -0.214 30.142 30.300 0.094 0.000 0.868 118 R HN 0.357 nan 8.270 nan 0.000 0.453 119 N N 0.542 119.279 118.700 0.061 0.000 2.336 119 N HA -0.093 4.010 4.740 -1.061 0.000 0.177 119 N C 1.688 177.194 175.510 -0.006 0.000 1.018 119 N CA 0.520 53.587 53.050 0.029 0.000 0.878 119 N CB -0.046 38.450 38.487 0.015 0.000 0.997 119 N HN 0.103 nan 8.380 nan 0.000 0.433 120 L N 0.959 122.148 121.223 -0.056 0.000 2.362 120 L HA -0.049 3.654 4.340 -1.061 0.000 0.219 120 L C 0.929 177.596 176.870 -0.337 0.000 1.134 120 L CA 1.713 56.431 54.840 -0.204 0.000 0.807 120 L CB -0.310 41.576 42.059 -0.288 0.000 0.927 120 L HN 0.199 nan 8.230 nan 0.000 0.447 121 H N -1.347 117.755 119.070 0.054 0.000 2.581 121 H HA 0.406 4.326 4.556 -1.061 0.000 0.275 121 H C 1.866 177.231 175.328 0.062 0.000 1.126 121 H CA 0.481 56.570 56.048 0.068 0.000 1.097 121 H CB 0.338 30.157 29.762 0.094 0.000 1.626 121 H HN 0.406 nan 8.280 nan 0.000 0.565 122 A N 0.848 123.735 122.820 0.112 0.000 1.908 122 A HA -0.155 3.529 4.320 -1.061 0.000 0.218 122 A C 1.575 179.202 177.584 0.072 0.000 1.181 122 A CA 1.609 53.695 52.037 0.081 0.000 0.627 122 A CB -0.067 18.962 19.000 0.048 0.000 0.818 122 A HN 0.150 nan 8.150 nan 0.000 0.445 123 D N -0.351 120.088 120.400 0.066 0.000 2.319 123 D HA 0.131 4.134 4.640 -1.061 0.000 0.230 123 D C 0.590 176.946 176.300 0.095 0.000 1.094 123 D CA 0.506 54.547 54.000 0.068 0.000 0.856 123 D CB 0.260 41.088 40.800 0.046 0.000 0.915 123 D HN 0.314 nan 8.370 nan 0.000 0.517 124 S N -0.235 115.533 115.700 0.114 0.000 2.730 124 S HA 0.310 4.144 4.470 -1.061 0.000 0.244 124 S C 0.522 175.181 174.600 0.098 0.000 1.022 124 S CA -0.292 57.984 58.200 0.127 0.000 1.014 124 S CB 1.124 64.435 63.200 0.185 0.000 0.963 124 S HN 0.123 nan 8.310 nan 0.000 0.540 125 I N 1.351 121.955 120.570 0.058 0.000 2.534 125 I HA 0.483 4.016 4.170 -1.061 0.000 0.286 125 I C -1.292 174.781 176.117 -0.073 0.000 1.094 125 I CA -0.680 60.599 61.300 -0.034 0.000 1.055 125 I CB 2.249 40.235 38.000 -0.023 0.000 1.225 125 I HN -0.093 nan 8.210 nan 0.000 0.435 126 V N 5.577 125.410 119.914 -0.134 0.000 2.808 126 V HA 0.881 4.364 4.120 -1.061 0.000 0.308 126 V C -0.796 175.186 176.094 -0.187 0.000 1.099 126 V CA -0.152 62.076 62.300 -0.119 0.000 0.920 126 V CB 1.977 33.772 31.823 -0.048 0.000 1.014 126 V HN 0.808 nan 8.190 nan 0.000 0.425 127 A N 5.234 127.952 122.820 -0.171 0.000 2.295 127 A HA 0.906 4.590 4.320 -1.061 0.000 0.318 127 A C -0.375 177.130 177.584 -0.133 0.000 1.134 127 A CA -0.003 51.924 52.037 -0.183 0.000 0.827 127 A CB 1.584 20.480 19.000 -0.174 0.000 1.136 127 A HN 2.082 nan 8.150 nan 0.000 0.493 128 V N 0.185 120.022 119.914 -0.128 0.000 2.569 128 V HA 0.519 4.002 4.120 -1.061 0.000 0.301 128 V C -0.534 175.510 176.094 -0.084 0.000 1.044 128 V CA -0.891 61.349 62.300 -0.099 0.000 0.874 128 V CB 1.534 33.294 31.823 -0.106 0.000 1.002 128 V HN 0.815 nan 8.190 nan 0.000 0.424 129 N N 3.924 122.583 118.700 -0.067 0.000 2.895 129 N HA 0.637 4.740 4.740 -1.061 0.000 0.277 129 N C 0.079 175.562 175.510 -0.045 0.000 1.185 129 N CA 1.130 54.148 53.050 -0.054 0.000 1.106 129 N CB 0.199 38.658 38.487 -0.047 0.000 1.422 129 N HN 1.388 nan 8.380 nan 0.000 0.521 130 G N -0.835 107.936 108.800 -0.049 0.000 2.342 130 G HA2 0.454 3.777 3.960 -1.061 0.000 0.297 130 G HA3 0.454 3.777 3.960 -1.061 0.000 0.297 130 G C -0.301 174.569 174.900 -0.049 0.000 1.313 130 G CA -0.338 44.737 45.100 -0.041 0.000 0.830 130 G HN 0.492 nan 8.290 nan 0.000 0.506 131 G N -1.305 107.469 108.800 -0.042 0.000 2.531 131 G HA2 0.540 3.864 3.960 -1.061 0.000 0.253 131 G HA3 0.540 3.864 3.960 -1.061 0.000 0.253 131 G C 1.216 176.071 174.900 -0.075 0.000 1.439 131 G CA 0.326 45.397 45.100 -0.048 0.000 1.056 131 G HN 1.132 nan 8.290 nan 0.000 0.555 132 L N -0.121 121.051 121.223 -0.085 0.000 1.971 132 L HA -0.089 3.614 4.340 -1.061 0.000 0.215 132 L C 2.669 179.452 176.870 -0.145 0.000 1.072 132 L CA 2.923 57.675 54.840 -0.146 0.000 0.758 132 L CB -0.830 41.132 42.059 -0.160 0.000 0.889 132 L HN 0.843 nan 8.230 nan 0.000 0.433 133 E N -0.908 119.242 120.200 -0.083 0.000 2.068 133 E HA -0.364 3.349 4.350 -1.061 0.000 0.207 133 E C 2.080 178.647 176.600 -0.056 0.000 1.032 133 E CA 2.031 58.401 56.400 -0.051 0.000 0.839 133 E CB -0.186 29.510 29.700 -0.007 0.000 0.758 133 E HN 0.596 nan 8.360 nan 0.000 0.457 134 Q N -0.302 119.467 119.800 -0.051 0.000 2.364 134 Q HA -0.059 3.645 4.340 -1.061 0.000 0.209 134 Q C 1.612 177.568 176.000 -0.073 0.000 0.977 134 Q CA 1.396 57.170 55.803 -0.049 0.000 0.885 134 Q CB -0.098 28.615 28.738 -0.042 0.000 0.941 134 Q HN 0.429 nan 8.270 nan 0.000 0.464 135 A N -0.397 122.360 122.820 -0.105 0.000 1.911 135 A HA 0.015 3.699 4.320 -1.061 0.000 0.212 135 A C 1.875 179.367 177.584 -0.153 0.000 1.189 135 A CA 0.475 52.429 52.037 -0.139 0.000 0.639 135 A CB -0.343 18.558 19.000 -0.166 0.000 0.839 135 A HN 0.322 nan 8.150 nan 0.000 0.449 136 L N -0.775 120.352 121.223 -0.160 0.000 2.131 136 L HA -0.143 3.560 4.340 -1.061 0.000 0.210 136 L C 2.756 179.578 176.870 -0.080 0.000 1.092 136 L CA 1.512 56.264 54.840 -0.146 0.000 0.759 136 L CB -0.417 41.553 42.059 -0.148 0.000 0.903 136 L HN 0.453 nan 8.230 nan 0.000 0.435 137 R N 0.416 120.881 120.500 -0.059 0.000 2.070 137 R HA -0.178 3.525 4.340 -1.061 0.000 0.233 137 R C 2.390 178.682 176.300 -0.013 0.000 1.137 137 R CA 1.294 57.379 56.100 -0.025 0.000 0.945 137 R CB -0.284 30.006 30.300 -0.016 0.000 0.845 137 R HN 0.270 nan 8.270 nan 0.000 0.430 138 L N 1.396 122.601 121.223 -0.030 0.000 2.079 138 L HA -0.190 3.513 4.340 -1.061 0.000 0.210 138 L C 1.954 178.842 176.870 0.030 0.000 1.081 138 L CA 1.737 56.576 54.840 -0.001 0.000 0.752 138 L CB -0.647 41.382 42.059 -0.050 0.000 0.896 138 L HN 0.383 nan 8.230 nan 0.000 0.433 139 L N 0.190 121.374 121.223 -0.066 0.000 2.093 139 L HA -0.145 3.559 4.340 -1.061 0.000 0.208 139 L C 2.780 179.693 176.870 0.071 0.000 1.085 139 L CA 1.076 55.879 54.840 -0.062 0.000 0.755 139 L CB -0.789 41.186 42.059 -0.139 0.000 0.904 139 L HN 0.329 nan 8.230 nan 0.000 0.435 140 A N -0.681 122.159 122.820 0.032 0.000 2.178 140 A HA -0.071 3.612 4.320 -1.061 0.000 0.218 140 A C 1.449 179.074 177.584 0.068 0.000 1.157 140 A CA 0.487 52.545 52.037 0.035 0.000 0.689 140 A CB -0.427 18.578 19.000 0.008 0.000 0.787 140 A HN 0.343 nan 8.150 nan 0.000 0.465 141 S N 0.353 116.117 115.700 0.107 0.000 2.566 141 S HA 0.177 4.011 4.470 -1.061 0.000 0.280 141 S C -1.264 173.371 174.600 0.059 0.000 1.343 141 S CA -0.566 57.688 58.200 0.090 0.000 1.036 141 S CB 0.638 63.909 63.200 0.119 0.000 0.866 141 S HN 0.207 nan 8.310 nan 0.000 0.526 142 P HA -0.111 nan 4.420 nan 0.000 0.217 142 P C 0.709 177.979 177.300 -0.050 0.000 1.151 142 P CA 1.148 64.248 63.100 0.000 0.000 0.849 142 P CB 0.060 31.759 31.700 -0.002 0.000 0.787 143 N N -2.649 115.972 118.700 -0.130 0.000 2.309 143 N HA -0.134 3.970 4.740 -1.061 0.000 0.182 143 N C 0.921 176.166 175.510 -0.442 0.000 1.018 143 N CA 1.070 53.922 53.050 -0.330 0.000 0.876 143 N CB -0.307 37.864 38.487 -0.527 0.000 0.972 143 N HN 0.266 nan 8.380 nan 0.000 0.434 144 Y N -1.724 118.573 120.300 -0.005 0.000 2.430 144 Y HA 0.353 4.266 4.550 -1.061 0.000 0.254 144 Y C 0.140 176.035 175.900 -0.009 0.000 1.088 144 Y CA -0.030 58.065 58.100 -0.008 0.000 1.267 144 Y CB 0.504 38.955 38.460 -0.015 0.000 1.204 144 Y HN -0.231 nan 8.280 nan 0.000 0.515 145 T N 3.894 118.518 114.554 0.117 0.000 2.792 145 T HA 0.220 3.933 4.350 -1.061 0.000 0.280 145 T C -2.047 172.675 174.700 0.036 0.000 0.990 145 T CA -1.387 60.753 62.100 0.065 0.000 0.960 145 T CB 1.924 70.820 68.868 0.047 0.000 0.939 145 T HN -0.052 nan 8.240 nan 0.000 0.439 146 P HA 0.089 nan 4.420 nan 0.000 0.249 146 P C 1.487 178.810 177.300 0.039 0.000 1.229 146 P CA 0.148 63.265 63.100 0.028 0.000 0.788 146 P CB 0.378 32.088 31.700 0.015 0.000 1.072 147 S N 0.398 116.125 115.700 0.046 0.000 2.393 147 S HA -0.143 3.690 4.470 -1.061 0.000 0.235 147 S C 1.134 175.777 174.600 0.072 0.000 1.061 147 S CA 0.999 59.232 58.200 0.054 0.000 1.129 147 S CB -0.618 62.614 63.200 0.053 0.000 1.011 147 S HN 0.028 nan 8.310 nan 0.000 0.436 148 I N 2.587 123.216 120.570 0.099 0.000 2.363 148 I HA 0.148 3.682 4.170 -1.061 0.000 0.292 148 I C 1.400 177.537 176.117 0.033 0.000 1.075 148 I CA 0.120 61.463 61.300 0.072 0.000 1.333 148 I CB 0.482 38.524 38.000 0.070 0.000 1.415 148 I HN 0.515 nan 8.210 nan 0.000 0.502 149 E N 4.777 124.992 120.200 0.025 0.000 2.023 149 E HA -0.125 3.588 4.350 -1.061 0.000 0.196 149 E C -0.158 176.430 176.600 -0.021 0.000 1.003 149 E CA 1.286 57.693 56.400 0.011 0.000 0.809 149 E CB 0.388 30.098 29.700 0.017 0.000 0.755 149 E HN 0.633 nan 8.360 nan 0.000 0.449 150 T N 0.484 115.006 114.554 -0.054 0.000 2.921 150 T HA 0.420 4.134 4.350 -1.061 0.000 0.297 150 T C -1.092 173.463 174.700 -0.242 0.000 1.013 150 T CA -0.754 61.235 62.100 -0.185 0.000 0.990 150 T CB 2.136 70.815 68.868 -0.315 0.000 1.023 150 T HN -0.091 nan 8.240 nan 0.000 0.447 151 V N 3.559 123.335 119.914 -0.230 0.000 2.509 151 V HA 0.459 3.943 4.120 -1.061 0.000 0.284 151 V C -1.139 174.826 176.094 -0.215 0.000 1.047 151 V CA -0.503 61.720 62.300 -0.128 0.000 0.952 151 V CB 0.608 32.417 31.823 -0.024 0.000 0.988 151 V HN 0.790 nan 8.190 nan 0.000 0.469 152 Y N 2.394 122.764 120.300 0.116 0.000 2.361 152 Y HA 0.369 4.283 4.550 -1.061 0.000 0.337 152 Y C 0.213 176.224 175.900 0.186 0.000 0.965 152 Y CA -0.659 57.542 58.100 0.169 0.000 1.091 152 Y CB 1.737 40.228 38.460 0.051 0.000 1.182 152 Y HN 0.625 nan 8.280 nan 0.000 0.450 153 C N 7.150 126.719 119.300 0.448 0.000 2.252 153 C HA 0.299 4.122 4.460 -1.061 0.000 0.342 153 C C 1.728 176.922 174.990 0.341 0.000 1.110 153 C CA -0.671 58.530 59.018 0.304 0.000 1.581 153 C CB -2.267 25.719 27.740 0.409 0.000 2.087 153 C HN 0.907 nan 8.230 nan 0.000 0.500 154 I N 4.124 124.848 120.570 0.258 0.000 3.444 154 I HA 0.406 3.940 4.170 -1.061 0.000 0.287 154 I C 0.980 177.128 176.117 0.052 0.000 1.302 154 I CA 0.893 62.370 61.300 0.294 0.000 1.368 154 I CB -0.716 37.498 38.000 0.356 0.000 1.048 154 I HN 0.808 nan 8.210 nan 0.000 0.487 155 G N 0.067 108.728 108.800 -0.233 0.000 2.434 155 G HA2 0.383 3.706 3.960 -1.061 0.000 0.671 155 G HA3 0.383 3.706 3.960 -1.061 0.000 0.671 155 G C -0.307 174.231 174.900 -0.605 0.000 1.280 155 G CA -0.344 44.226 45.100 -0.884 0.000 0.975 155 G HN 1.385 nan 8.290 nan 0.000 0.510 156 G N -2.065 106.345 108.800 -0.650 0.000 2.521 156 G HA2 0.549 3.873 3.960 -1.061 0.000 0.589 156 G HA3 0.549 3.873 3.960 -1.061 0.000 0.589 156 G C 1.081 175.868 174.900 -0.187 0.000 1.501 156 G CA 0.884 45.828 45.100 -0.261 0.000 0.887 156 G HN 2.255 nan 8.290 nan 0.000 0.654 157 G N 0.573 109.394 108.800 0.035 0.000 2.469 157 G HA2 -0.008 3.315 3.960 -1.061 0.000 0.220 157 G HA3 -0.008 3.315 3.960 -1.061 0.000 0.220 157 G C 2.169 177.156 174.900 0.145 0.000 1.136 157 G CA 2.329 47.535 45.100 0.178 0.000 0.759 157 G HN 1.952 nan 8.290 nan 0.000 0.562 158 S N -0.104 115.631 115.700 0.059 0.000 2.436 158 S HA 0.032 3.865 4.470 -1.061 0.000 0.228 158 S C 2.231 176.855 174.600 0.040 0.000 1.014 158 S CA 1.019 59.251 58.200 0.053 0.000 0.950 158 S CB -0.057 63.159 63.200 0.025 0.000 0.784 158 S HN 0.127 nan 8.310 nan 0.000 0.504 159 V N 0.653 120.551 119.914 -0.026 0.000 2.323 159 V HA -0.099 3.385 4.120 -1.061 0.000 0.244 159 V C 2.281 178.424 176.094 0.083 0.000 1.041 159 V CA 1.441 63.714 62.300 -0.045 0.000 1.025 159 V CB -1.216 30.507 31.823 -0.166 0.000 0.656 159 V HN 0.377 nan 8.190 nan 0.000 0.451 160 Y N 1.148 121.545 120.300 0.161 0.000 2.193 160 Y HA -0.203 3.710 4.550 -1.061 0.000 0.285 160 Y C 2.570 178.569 175.900 0.166 0.000 1.166 160 Y CA 0.980 59.229 58.100 0.248 0.000 1.181 160 Y CB -1.238 37.453 38.460 0.384 0.000 0.976 160 Y HN 0.209 nan 8.280 nan 0.000 0.520 161 A N -0.395 122.587 122.820 0.270 0.000 1.930 161 A HA -0.191 3.493 4.320 -1.061 0.000 0.217 161 A C 2.236 179.892 177.584 0.121 0.000 1.175 161 A CA 1.621 53.750 52.037 0.153 0.000 0.627 161 A CB -0.606 18.465 19.000 0.118 0.000 0.815 161 A HN 0.486 nan 8.150 nan 0.000 0.443 162 E N -0.317 119.953 120.200 0.116 0.000 2.107 162 E HA -0.061 3.653 4.350 -1.061 0.000 0.191 162 E C 2.106 178.789 176.600 0.138 0.000 0.982 162 E CA 0.763 57.219 56.400 0.092 0.000 0.809 162 E CB -0.169 29.562 29.700 0.052 0.000 0.756 162 E HN 0.559 nan 8.360 nan 0.000 0.459 163 A N 0.639 123.585 122.820 0.208 0.000 1.969 163 A HA -0.066 3.618 4.320 -1.061 0.000 0.218 163 A C 1.843 179.588 177.584 0.268 0.000 1.169 163 A CA 0.718 52.965 52.037 0.350 0.000 0.635 163 A CB -0.222 19.081 19.000 0.506 0.000 0.810 163 A HN 0.250 nan 8.150 nan 0.000 0.445 164 L N -0.170 121.147 121.223 0.157 0.000 2.653 164 L HA 0.179 3.882 4.340 -1.061 0.000 0.232 164 L C 0.687 177.588 176.870 0.051 0.000 1.169 164 L CA -0.157 54.717 54.840 0.057 0.000 0.951 164 L CB -0.424 41.589 42.059 -0.078 0.000 1.181 164 L HN 0.526 nan 8.230 nan 0.000 0.460 165 R N -1.461 119.078 120.500 0.065 0.000 2.740 165 R HA 0.581 4.285 4.340 -1.061 0.000 0.273 165 R C -3.082 173.224 176.300 0.009 0.000 0.998 165 R CA -1.965 54.154 56.100 0.031 0.000 0.900 165 R CB 0.877 31.201 30.300 0.038 0.000 1.223 165 R HN -0.298 nan 8.270 nan 0.000 0.466 166 P HA 0.026 nan 4.420 nan 0.000 0.266 166 P C -1.847 175.495 177.300 0.070 0.000 1.195 166 P CA -0.797 62.295 63.100 -0.013 0.000 0.768 166 P CB 0.548 32.290 31.700 0.071 0.000 0.838 167 P HA 0.017 nan 4.420 nan 0.000 0.228 167 P C 0.595 178.002 177.300 0.178 0.000 1.166 167 P CA 0.586 63.797 63.100 0.185 0.000 0.812 167 P CB -0.008 31.797 31.700 0.175 0.000 0.857 168 C N 0.099 119.496 119.300 0.163 0.000 2.410 168 C HA -0.067 3.757 4.460 -1.061 0.000 0.281 168 C C 2.853 178.036 174.990 0.323 0.000 1.318 168 C CA 0.626 59.804 59.018 0.267 0.000 1.776 168 C CB -1.904 25.981 27.740 0.242 0.000 1.942 168 C HN 0.130 nan 8.230 nan 0.000 0.508 169 V N 0.390 120.391 119.914 0.144 0.000 2.626 169 V HA -0.154 3.329 4.120 -1.061 0.000 0.252 169 V C 2.306 178.449 176.094 0.081 0.000 1.067 169 V CA 1.797 64.163 62.300 0.110 0.000 1.081 169 V CB -0.749 31.093 31.823 0.031 0.000 0.686 169 V HN 0.607 nan 8.190 nan 0.000 0.468 170 H N -0.667 118.509 119.070 0.176 0.000 2.561 170 H HA 0.049 3.969 4.556 -1.061 0.000 0.278 170 H C 1.529 176.950 175.328 0.154 0.000 1.014 170 H CA 1.098 57.226 56.048 0.134 0.000 1.211 170 H CB 0.230 30.065 29.762 0.122 0.000 1.365 170 H HN 0.398 nan 8.280 nan 0.000 0.594 171 L N -0.262 121.111 121.223 0.251 0.000 2.731 171 L HA 0.112 3.816 4.340 -1.061 0.000 0.240 171 L C 0.467 177.302 176.870 -0.059 0.000 1.120 171 L CA 0.006 54.959 54.840 0.187 0.000 0.913 171 L CB 0.294 42.496 42.059 0.239 0.000 1.213 171 L HN -0.018 nan 8.230 nan 0.000 0.515 172 L N 1.007 122.099 121.223 -0.219 0.000 2.600 172 L HA 0.049 3.753 4.340 -1.061 0.000 0.278 172 L C 1.414 178.265 176.870 -0.032 0.000 1.139 172 L CA 0.709 55.246 54.840 -0.506 0.000 0.933 172 L CB 0.105 42.015 42.059 -0.248 0.000 1.266 172 L HN 0.244 nan 8.230 nan 0.000 0.471 173 Q N 4.265 124.016 119.800 -0.082 0.000 2.172 173 Q HA 0.220 3.924 4.340 -1.061 0.000 0.200 173 Q C 0.350 176.417 176.000 0.111 0.000 0.964 173 Q CA 1.076 56.912 55.803 0.055 0.000 0.855 173 Q CB 0.044 28.816 28.738 0.056 0.000 0.918 173 Q HN 0.757 nan 8.270 nan 0.000 0.444 174 A N 0.177 123.045 122.820 0.080 0.000 2.594 174 A HA 0.673 4.357 4.320 -1.061 0.000 0.295 174 A C -1.380 176.173 177.584 -0.051 0.000 1.071 174 A CA -0.662 51.388 52.037 0.023 0.000 0.685 174 A CB 1.285 20.223 19.000 -0.104 0.000 1.285 174 A HN 0.130 nan 8.150 nan 0.000 0.405 175 I N 1.619 122.081 120.570 -0.180 0.000 2.411 175 I HA 0.308 3.841 4.170 -1.061 0.000 0.284 175 I C -1.543 174.469 176.117 -0.175 0.000 1.012 175 I CA -0.311 60.912 61.300 -0.129 0.000 1.119 175 I CB 1.361 39.221 38.000 -0.233 0.000 1.261 175 I HN 0.628 nan 8.210 nan 0.000 0.448 176 Y N 5.944 126.329 120.300 0.141 0.000 2.434 176 Y HA 0.443 4.356 4.550 -1.061 0.000 0.341 176 Y C 0.319 176.285 175.900 0.111 0.000 0.965 176 Y CA -0.523 57.690 58.100 0.188 0.000 1.205 176 Y CB 0.844 39.495 38.460 0.319 0.000 1.121 176 Y HN 0.429 nan 8.280 nan 0.000 0.507 177 R N 2.316 122.904 120.500 0.146 0.000 2.480 177 R HA 0.481 4.185 4.340 -1.061 0.000 0.306 177 R C -1.288 174.990 176.300 -0.038 0.000 0.958 177 R CA -0.408 55.688 56.100 -0.007 0.000 0.861 177 R CB 1.259 31.515 30.300 -0.073 0.000 1.171 177 R HN 0.576 nan 8.270 nan 0.000 0.445 178 T N 3.202 117.706 114.554 -0.082 0.000 2.749 178 T HA 0.238 3.952 4.350 -1.061 0.000 0.287 178 T C -0.499 173.984 174.700 -0.362 0.000 0.970 178 T CA -0.039 61.929 62.100 -0.219 0.000 0.980 178 T CB 1.329 70.121 68.868 -0.125 0.000 0.924 178 T HN 0.427 nan 8.240 nan 0.000 0.456 179 T N 4.746 118.922 114.554 -0.630 0.000 2.801 179 T HA 0.458 4.172 4.350 -1.061 0.000 0.306 179 T C 0.087 174.486 174.700 -0.501 0.000 1.020 179 T CA -0.444 61.267 62.100 -0.648 0.000 0.948 179 T CB -0.016 68.268 68.868 -0.973 0.000 0.962 179 T HN 0.321 nan 8.240 nan 0.000 0.465 180 I N 3.497 123.819 120.570 -0.413 0.000 2.365 180 I HA 0.288 3.822 4.170 -1.061 0.000 0.291 180 I C 1.033 176.927 176.117 -0.373 0.000 1.004 180 I CA -0.480 60.616 61.300 -0.339 0.000 1.311 180 I CB 0.912 38.645 38.000 -0.445 0.000 1.401 180 I HN 0.320 nan 8.210 nan 0.000 0.491 181 R N 5.991 126.360 120.500 -0.218 0.000 4.138 181 R HA 0.456 4.160 4.340 -1.061 0.000 0.206 181 R C -0.034 176.134 176.300 -0.220 0.000 1.667 181 R CA -0.399 55.576 56.100 -0.209 0.000 1.481 181 R CB -0.343 29.891 30.300 -0.111 0.000 1.388 181 R HN 0.691 nan 8.270 nan 0.000 0.776 182 A N 0.953 123.570 122.820 -0.338 0.000 2.555 182 A HA 0.015 3.698 4.320 -1.061 0.000 0.233 182 A C 1.156 178.658 177.584 -0.137 0.000 1.060 182 A CA -0.010 51.873 52.037 -0.256 0.000 0.759 182 A CB 0.418 19.184 19.000 -0.389 0.000 0.995 182 A HN 0.572 nan 8.150 nan 0.000 0.506 183 S N 0.320 115.984 115.700 -0.059 0.000 2.515 183 S HA 0.087 3.921 4.470 -1.061 0.000 0.231 183 S C 0.238 174.836 174.600 -0.003 0.000 0.987 183 S CA 0.991 59.177 58.200 -0.025 0.000 0.936 183 S CB -0.156 63.042 63.200 -0.002 0.000 0.766 183 S HN 0.713 nan 8.310 nan 0.000 0.528 184 E N -0.458 119.745 120.200 0.004 0.000 4.441 184 E HA 0.033 3.746 4.350 -1.061 0.000 0.383 184 E C -1.034 175.610 176.600 0.074 0.000 1.081 184 E CA 0.165 56.588 56.400 0.039 0.000 0.818 184 E CB 0.156 29.882 29.700 0.044 0.000 1.187 184 E HN 0.152 nan 8.360 nan 0.000 0.574 185 S N -0.084 115.673 115.700 0.095 0.000 2.857 185 S HA -0.009 3.824 4.470 -1.061 0.000 0.238 185 S C 0.102 174.824 174.600 0.202 0.000 0.875 185 S CA 0.232 58.553 58.200 0.200 0.000 1.368 185 S CB -0.429 63.006 63.200 0.392 0.000 1.238 185 S HN 0.640 nan 8.310 nan 0.000 0.635 186 S N 1.824 117.601 115.700 0.129 0.000 3.689 186 S HA 0.046 3.879 4.470 -1.061 0.000 0.439 186 S C 1.165 175.837 174.600 0.119 0.000 1.025 186 S CA 0.097 58.361 58.200 0.108 0.000 1.576 186 S CB -1.892 61.357 63.200 0.081 0.000 0.965 186 S HN 0.564 nan 8.310 nan 0.000 0.578 187 C N 3.718 123.096 119.300 0.129 0.000 1.610 187 C HA 0.472 4.296 4.460 -1.061 0.000 0.131 187 C C 2.292 177.366 174.990 0.139 0.000 2.998 187 C CA -0.026 59.071 59.018 0.132 0.000 1.803 187 C CB -0.668 27.167 27.740 0.158 0.000 2.234 187 C HN 0.879 nan 8.230 nan 0.000 0.236 188 S N -0.570 115.221 115.700 0.153 0.000 3.249 188 S HA 0.142 3.975 4.470 -1.061 0.000 0.237 188 S C 0.142 174.939 174.600 0.327 0.000 1.007 188 S CA -0.001 58.327 58.200 0.214 0.000 0.811 188 S CB -0.456 62.830 63.200 0.143 0.000 0.832 188 S HN 0.524 nan 8.310 nan 0.000 0.573 189 V N 3.214 123.278 119.914 0.250 0.000 2.479 189 V HA 0.329 3.812 4.120 -1.061 0.000 0.281 189 V C -0.831 175.471 176.094 0.347 0.000 1.031 189 V CA 0.005 62.486 62.300 0.301 0.000 1.038 189 V CB -0.907 31.053 31.823 0.229 0.000 0.981 189 V HN 0.220 nan 8.190 nan 0.000 0.478 190 F N 4.860 124.890 119.950 0.132 0.000 2.415 190 F HA 0.495 4.385 4.527 -1.061 0.000 0.348 190 F C -0.121 175.765 175.800 0.143 0.000 1.119 190 F CA -1.267 56.813 58.000 0.134 0.000 1.069 190 F CB 1.391 40.441 39.000 0.084 0.000 1.124 190 F HN 0.519 nan 8.300 nan 0.000 0.472 191 F N 6.313 126.338 119.950 0.126 0.000 2.350 191 F HA 0.480 4.370 4.527 -1.061 0.000 0.365 191 F C -0.034 175.775 175.800 0.015 0.000 1.122 191 F CA -0.583 57.428 58.000 0.018 0.000 1.139 191 F CB 0.119 39.041 39.000 -0.132 0.000 1.220 191 F HN 0.512 nan 8.300 nan 0.000 0.499 192 R N 5.115 125.354 120.500 -0.434 0.000 2.621 192 R HA 0.689 4.393 4.340 -1.061 0.000 0.292 192 R C -1.948 174.066 176.300 -0.476 0.000 0.969 192 R CA -1.013 54.898 56.100 -0.315 0.000 0.887 192 R CB 1.454 31.706 30.300 -0.080 0.000 1.180 192 R HN 0.354 nan 8.270 nan 0.000 0.450 193 V N 3.967 123.676 119.914 -0.341 0.000 2.455 193 V HA 0.198 3.681 4.120 -1.061 0.000 0.273 193 V C -1.846 174.171 176.094 -0.129 0.000 1.045 193 V CA -1.693 60.410 62.300 -0.328 0.000 0.976 193 V CB 0.839 32.513 31.823 -0.249 0.000 0.993 193 V HN 0.739 nan 8.190 nan 0.000 0.475 194 P HA 0.097 nan 4.420 nan 0.000 0.264 194 P C -0.013 177.365 177.300 0.131 0.000 1.193 194 P CA 0.088 63.221 63.100 0.055 0.000 0.763 194 P CB 0.406 32.176 31.700 0.116 0.000 0.810 195 E N 0.994 121.244 120.200 0.083 0.000 2.390 195 E HA 0.150 3.864 4.350 -1.061 0.000 0.261 195 E C 0.045 176.701 176.600 0.095 0.000 1.076 195 E CA -0.258 56.196 56.400 0.090 0.000 0.905 195 E CB 0.390 30.123 29.700 0.055 0.000 0.984 195 E HN 0.367 nan 8.360 nan 0.000 0.427 196 S N 0.639 116.389 115.700 0.084 0.000 2.549 196 S HA 0.281 4.115 4.470 -1.061 0.000 0.283 196 S C 1.073 175.694 174.600 0.034 0.000 1.320 196 S CA 0.571 58.802 58.200 0.052 0.000 1.058 196 S CB 0.779 63.999 63.200 0.035 0.000 0.882 196 S HN 0.830 nan 8.310 nan 0.000 0.498 197 G N 2.311 111.125 108.800 0.024 0.000 2.225 197 G HA2 -0.286 3.037 3.960 -1.061 0.000 0.254 197 G HA3 -0.286 3.037 3.960 -1.061 0.000 0.254 197 G C 0.357 175.271 174.900 0.024 0.000 0.988 197 G CA 0.335 45.447 45.100 0.019 0.000 0.625 197 G HN 1.048 nan 8.290 nan 0.000 0.527 198 T N -1.654 112.919 114.554 0.032 0.000 2.816 198 T HA 0.613 4.326 4.350 -1.061 0.000 0.282 198 T C 1.182 175.902 174.700 0.033 0.000 0.993 198 T CA 0.534 62.652 62.100 0.030 0.000 0.994 198 T CB 1.537 70.424 68.868 0.031 0.000 1.025 198 T HN 0.280 nan 8.240 nan 0.000 0.529 199 E N 0.520 120.738 120.200 0.029 0.000 2.106 199 E HA -0.066 3.647 4.350 -1.061 0.000 0.192 199 E C 2.475 179.099 176.600 0.040 0.000 0.984 199 E CA 0.964 57.383 56.400 0.033 0.000 0.806 199 E CB -0.412 29.304 29.700 0.027 0.000 0.750 199 E HN 0.779 nan 8.360 nan 0.000 0.458 200 A N 1.952 124.794 122.820 0.037 0.000 1.883 200 A HA -0.167 3.517 4.320 -1.061 0.000 0.217 200 A C 2.455 180.075 177.584 0.059 0.000 1.186 200 A CA 1.800 53.860 52.037 0.039 0.000 0.624 200 A CB -0.794 18.222 19.000 0.028 0.000 0.822 200 A HN 0.295 nan 8.150 nan 0.000 0.444 201 A N -1.239 121.627 122.820 0.077 0.000 2.186 201 A HA 0.293 3.977 4.320 -1.061 0.000 0.219 201 A C 1.656 179.286 177.584 0.077 0.000 1.159 201 A CA 1.508 53.614 52.037 0.115 0.000 0.680 201 A CB -1.213 17.855 19.000 0.113 0.000 0.787 201 A HN 2.178 nan 8.150 nan 0.000 0.467 202 A N -2.881 119.979 122.820 0.066 0.000 2.704 202 A HA 0.128 3.811 4.320 -1.061 0.000 0.299 202 A C 2.007 179.654 177.584 0.106 0.000 1.507 202 A CA 1.504 53.595 52.037 0.090 0.000 0.776 202 A CB -1.933 17.117 19.000 0.084 0.000 1.027 202 A HN 2.569 nan 8.150 nan 0.000 0.475 203 G N -2.465 106.367 108.800 0.052 0.000 2.234 203 G HA2 -0.271 3.053 3.960 -1.061 0.000 0.260 203 G HA3 -0.271 3.053 3.960 -1.061 0.000 0.260 203 G C 0.265 175.147 174.900 -0.031 0.000 0.987 203 G CA 0.407 45.520 45.100 0.022 0.000 0.625 203 G HN 1.451 nan 8.290 nan 0.000 0.532 204 I N 1.207 121.740 120.570 -0.063 0.000 2.581 204 I HA 0.369 3.902 4.170 -1.061 0.000 0.288 204 I C 0.232 176.179 176.117 -0.284 0.000 1.047 204 I CA -0.108 61.045 61.300 -0.245 0.000 1.374 204 I CB 0.979 38.748 38.000 -0.386 0.000 1.423 204 I HN 0.137 nan 8.210 nan 0.000 0.549 205 E N 5.415 125.396 120.200 -0.365 0.000 2.255 205 E HA 0.209 3.923 4.350 -1.061 0.000 0.245 205 E C -1.702 174.748 176.600 -0.250 0.000 0.909 205 E CA -0.487 55.784 56.400 -0.214 0.000 0.747 205 E CB 0.830 30.460 29.700 -0.117 0.000 1.215 205 E HN 0.389 nan 8.360 nan 0.000 0.424 206 W N 3.402 124.701 121.300 -0.002 0.000 2.356 206 W HA 0.131 4.156 4.660 -1.060 0.000 0.311 206 W C 0.469 176.990 176.519 0.004 0.000 1.328 206 W CA -0.382 56.961 57.345 -0.003 0.000 1.251 206 W CB 0.613 30.071 29.460 -0.003 0.000 1.280 206 W HN 0.375 nan 8.180 nan 0.000 0.524 207 Q N 2.509 122.437 119.800 0.213 0.000 2.372 207 Q HA 0.595 4.299 4.340 -1.061 0.000 0.273 207 Q C -0.370 175.713 176.000 0.138 0.000 1.078 207 Q CA -1.343 54.542 55.803 0.137 0.000 0.806 207 Q CB 1.976 30.757 28.738 0.072 0.000 1.332 207 Q HN 0.406 nan 8.270 nan 0.000 0.435 208 R N 0.890 121.458 120.500 0.114 0.000 2.679 208 R HA -0.046 3.658 4.340 -1.061 0.000 0.268 208 R C 0.565 176.921 176.300 0.094 0.000 1.044 208 R CA 0.404 56.565 56.100 0.102 0.000 1.105 208 R CB 0.560 30.916 30.300 0.092 0.000 0.989 208 R HN 0.890 nan 8.270 nan 0.000 0.447 209 E N 0.475 120.732 120.200 0.095 0.000 2.290 209 E HA -0.008 3.705 4.350 -1.061 0.000 0.199 209 E C -0.492 176.175 176.600 0.111 0.000 0.912 209 E CA 0.583 57.049 56.400 0.110 0.000 0.924 209 E CB 0.705 30.478 29.700 0.121 0.000 0.901 209 E HN 0.698 nan 8.360 nan 0.000 0.487 210 T N -1.024 113.595 114.554 0.107 0.000 2.982 210 T HA 0.548 4.262 4.350 -1.061 0.000 0.321 210 T C -0.815 173.959 174.700 0.123 0.000 1.229 210 T CA -0.824 61.344 62.100 0.113 0.000 1.044 210 T CB 1.731 70.677 68.868 0.130 0.000 1.184 210 T HN 0.136 nan 8.240 nan 0.000 0.477 211 I N 2.501 123.142 120.570 0.118 0.000 2.534 211 I HA 0.583 4.116 4.170 -1.061 0.000 0.288 211 I C 0.092 176.293 176.117 0.139 0.000 1.077 211 I CA -0.556 60.830 61.300 0.144 0.000 1.051 211 I CB 2.018 40.081 38.000 0.105 0.000 1.234 211 I HN 1.047 nan 8.210 nan 0.000 0.425 212 S N 6.224 122.047 115.700 0.203 0.000 2.617 212 S HA 0.379 4.213 4.470 -1.061 0.000 0.269 212 S C -0.056 174.599 174.600 0.092 0.000 1.292 212 S CA -0.613 57.696 58.200 0.182 0.000 1.010 212 S CB 1.040 64.432 63.200 0.321 0.000 0.944 212 S HN 0.636 nan 8.310 nan 0.000 0.536 213 E N 1.005 121.229 120.200 0.040 0.000 2.392 213 E HA 0.094 3.808 4.350 -1.061 0.000 0.259 213 E C 0.086 176.640 176.600 -0.078 0.000 1.108 213 E CA -0.285 56.096 56.400 -0.033 0.000 0.916 213 E CB 0.398 30.081 29.700 -0.028 0.000 0.989 213 E HN 0.810 nan 8.360 nan 0.000 0.432 214 E N 1.495 121.612 120.200 -0.139 0.000 2.414 214 E HA 0.090 3.804 4.350 -1.061 0.000 0.263 214 E C -0.677 175.773 176.600 -0.250 0.000 1.000 214 E CA 0.053 56.340 56.400 -0.189 0.000 0.914 214 E CB 0.454 30.043 29.700 -0.185 0.000 0.948 214 E HN 0.270 nan 8.360 nan 0.000 0.444 215 L N 2.374 123.311 121.223 -0.476 0.000 2.256 215 L HA 0.504 4.208 4.340 -1.061 0.000 0.261 215 L C -0.336 176.209 176.870 -0.543 0.000 1.022 215 L CA -0.957 53.555 54.840 -0.547 0.000 0.828 215 L CB 2.424 44.024 42.059 -0.765 0.000 1.374 215 L HN 0.473 nan 8.230 nan 0.000 0.436 216 T N 0.019 114.410 114.554 -0.271 0.000 2.840 216 T HA 0.236 3.950 4.350 -1.061 0.000 0.287 216 T C -0.385 174.383 174.700 0.113 0.000 0.991 216 T CA -0.349 61.703 62.100 -0.078 0.000 0.964 216 T CB 1.646 70.491 68.868 -0.039 0.000 0.954 216 T HN 0.502 nan 8.240 nan 0.000 0.438 217 S N 1.650 117.506 115.700 0.259 0.000 2.576 217 S HA 0.422 4.255 4.470 -1.061 0.000 0.276 217 S C 1.409 176.084 174.600 0.126 0.000 1.339 217 S CA -0.379 57.983 58.200 0.270 0.000 1.039 217 S CB 0.406 63.729 63.200 0.205 0.000 0.902 217 S HN 0.826 nan 8.310 nan 0.000 0.516 218 A N 4.163 127.043 122.820 0.100 0.000 2.235 218 A HA 0.104 3.787 4.320 -1.061 0.000 0.208 218 A C 0.962 178.574 177.584 0.047 0.000 1.172 218 A CA 0.343 52.418 52.037 0.063 0.000 0.786 218 A CB -1.256 17.778 19.000 0.056 0.000 0.804 218 A HN 0.988 nan 8.150 nan 0.000 0.479 219 N N -0.854 117.875 118.700 0.048 0.000 2.256 219 N HA 0.166 4.270 4.740 -1.061 0.000 0.252 219 N C 1.247 176.776 175.510 0.030 0.000 1.274 219 N CA 0.251 53.322 53.050 0.035 0.000 0.872 219 N CB -0.087 38.421 38.487 0.034 0.000 0.982 219 N HN -0.037 nan 8.380 nan 0.000 0.445 220 G N -1.643 107.173 108.800 0.027 0.000 2.683 220 G HA2 -0.060 3.263 3.960 -1.061 0.000 0.213 220 G HA3 -0.060 3.263 3.960 -1.061 0.000 0.213 220 G C 0.222 175.134 174.900 0.022 0.000 1.142 220 G CA 0.049 45.163 45.100 0.022 0.000 0.793 220 G HN 0.643 nan 8.290 nan 0.000 0.534 221 N N 0.429 119.144 118.700 0.026 0.000 2.235 221 N HA 0.196 4.299 4.740 -1.061 0.000 0.231 221 N C 0.081 175.603 175.510 0.021 0.000 1.177 221 N CA -0.294 52.769 53.050 0.021 0.000 0.874 221 N CB 0.538 39.038 38.487 0.021 0.000 1.097 221 N HN 0.274 nan 8.380 nan 0.000 0.518 222 E N 0.148 120.365 120.200 0.028 0.000 2.294 222 E HA -0.208 3.506 4.350 -1.061 0.000 0.228 222 E C -0.748 175.870 176.600 0.031 0.000 1.253 222 E CA 0.525 56.943 56.400 0.030 0.000 0.716 222 E CB -1.474 28.234 29.700 0.013 0.000 1.184 222 E HN 0.329 nan 8.360 nan 0.000 0.374 223 T N 1.605 116.189 114.554 0.050 0.000 2.934 223 T HA 0.033 3.746 4.350 -1.061 0.000 0.306 223 T C 0.428 175.178 174.700 0.083 0.000 1.042 223 T CA 0.056 62.186 62.100 0.051 0.000 1.145 223 T CB 0.595 69.497 68.868 0.056 0.000 0.982 223 T HN -0.000 nan 8.240 nan 0.000 0.544 224 K N 2.993 123.401 120.400 0.014 0.000 2.130 224 K HA 0.521 4.204 4.320 -1.061 0.000 0.268 224 K C -0.447 176.139 176.600 -0.023 0.000 0.983 224 K CA -0.588 55.660 56.287 -0.066 0.000 0.893 224 K CB 1.343 33.789 32.500 -0.091 0.000 1.066 224 K HN 0.795 nan 8.250 nan 0.000 0.450 225 Y N -0.935 119.296 120.300 -0.115 0.000 2.689 225 Y HA 0.640 4.553 4.550 -1.061 0.000 0.333 225 Y C -1.315 174.484 175.900 -0.169 0.000 1.208 225 Y CA -1.691 56.285 58.100 -0.207 0.000 1.055 225 Y CB 0.978 39.220 38.460 -0.363 0.000 1.304 225 Y HN 0.616 nan 8.280 nan 0.000 0.455 226 Y N -0.840 119.272 120.300 -0.312 0.000 2.625 226 Y HA 0.847 4.760 4.550 -1.061 0.000 0.338 226 Y C -2.014 173.661 175.900 -0.376 0.000 1.123 226 Y CA -2.219 55.667 58.100 -0.357 0.000 1.046 226 Y CB 1.450 39.786 38.460 -0.208 0.000 1.299 226 Y HN 0.576 nan 8.280 nan 0.000 0.464 227 F N 0.427 120.405 119.950 0.048 0.000 2.557 227 F HA 0.716 4.607 4.527 -1.061 0.000 0.336 227 F C -0.432 175.384 175.800 0.027 0.000 1.058 227 F CA -0.923 57.021 58.000 -0.092 0.000 0.988 227 F CB 2.040 40.917 39.000 -0.205 0.000 1.275 227 F HN 0.495 nan 8.300 nan 0.000 0.488 228 E N 0.695 121.033 120.200 0.229 0.000 2.381 228 E HA 0.190 3.904 4.350 -1.061 0.000 0.286 228 E C -1.551 175.122 176.600 0.122 0.000 0.960 228 E CA -1.043 55.460 56.400 0.172 0.000 0.793 228 E CB 2.812 32.596 29.700 0.141 0.000 1.225 228 E HN 0.376 nan 8.360 nan 0.000 0.420 229 K N 4.327 124.771 120.400 0.074 0.000 2.307 229 K HA 0.471 4.155 4.320 -1.061 0.000 0.263 229 K C -1.229 175.341 176.600 -0.051 0.000 0.973 229 K CA -0.432 55.800 56.287 -0.092 0.000 0.846 229 K CB 0.737 33.185 32.500 -0.086 0.000 1.100 229 K HN 0.458 nan 8.250 nan 0.000 0.438 230 L N 6.559 127.736 121.223 -0.077 0.000 2.334 230 L HA 0.620 4.323 4.340 -1.061 0.000 0.276 230 L C -0.029 176.946 176.870 0.176 0.000 1.014 230 L CA -1.146 53.736 54.840 0.070 0.000 0.815 230 L CB 1.435 43.529 42.059 0.060 0.000 1.268 230 L HN 0.630 nan 8.230 nan 0.000 0.428 231 I N 0.012 120.763 120.570 0.302 0.000 2.969 231 I HA 0.574 4.107 4.170 -1.061 0.000 0.307 231 I C -2.688 173.519 176.117 0.150 0.000 1.149 231 I CA -2.478 59.001 61.300 0.298 0.000 1.008 231 I CB 2.656 40.713 38.000 0.095 0.000 1.232 231 I HN 0.299 nan 8.210 nan 0.000 0.435 232 P HA 0.115 nan 4.420 nan 0.000 0.277 232 P C -0.398 176.698 177.300 -0.339 0.000 1.354 232 P CA -0.120 62.553 63.100 -0.713 0.000 0.891 232 P CB 0.546 31.768 31.700 -0.797 0.000 1.058 233 R N 3.969 124.319 120.500 -0.251 0.000 2.505 233 R HA -0.111 3.592 4.340 -1.061 0.000 0.274 233 R C 0.193 176.391 176.300 -0.171 0.000 0.955 233 R CA 0.500 56.510 56.100 -0.151 0.000 1.109 233 R CB -0.056 30.177 30.300 -0.111 0.000 0.890 233 R HN 0.350 nan 8.270 nan 0.000 0.415 234 N N 3.576 122.186 118.700 -0.150 0.000 2.699 234 N HA 0.098 4.201 4.740 -1.061 0.000 0.232 234 N C 0.302 175.742 175.510 -0.116 0.000 1.027 234 N CA -0.363 52.571 53.050 -0.192 0.000 0.920 234 N CB 0.679 38.975 38.487 -0.318 0.000 1.148 234 N HN 0.490 nan 8.380 nan 0.000 0.509 235 R N 1.816 122.263 120.500 -0.089 0.000 2.081 235 R HA -0.083 3.620 4.340 -1.061 0.000 0.235 235 R C 1.103 177.389 176.300 -0.023 0.000 1.131 235 R CA 1.175 57.245 56.100 -0.051 0.000 0.960 235 R CB -0.109 30.158 30.300 -0.056 0.000 0.856 235 R HN 0.652 nan 8.270 nan 0.000 0.436 236 E N 0.574 120.766 120.200 -0.014 0.000 2.033 236 E HA -0.248 3.465 4.350 -1.061 0.000 0.199 236 E C 1.937 178.675 176.600 0.231 0.000 1.011 236 E CA 1.491 57.929 56.400 0.063 0.000 0.815 236 E CB -0.145 29.701 29.700 0.244 0.000 0.755 236 E HN 0.429 nan 8.360 nan 0.000 0.451 237 E N 0.625 120.947 120.200 0.202 0.000 2.204 237 E HA -0.204 3.510 4.350 -1.061 0.000 0.194 237 E C 1.733 178.496 176.600 0.270 0.000 0.989 237 E CA 0.773 57.361 56.400 0.313 0.000 0.824 237 E CB 0.134 29.887 29.700 0.089 0.000 0.756 237 E HN 0.255 nan 8.360 nan 0.000 0.477 238 E N 0.152 120.433 120.200 0.135 0.000 2.150 238 E HA -0.204 3.510 4.350 -1.061 0.000 0.193 238 E C 2.114 178.779 176.600 0.109 0.000 0.985 238 E CA 0.850 57.312 56.400 0.103 0.000 0.814 238 E CB 0.046 29.766 29.700 0.033 0.000 0.752 238 E HN 0.365 nan 8.360 nan 0.000 0.466 239 Q N -0.077 119.786 119.800 0.105 0.000 2.062 239 Q HA -0.270 3.434 4.340 -1.061 0.000 0.209 239 Q C 2.017 178.090 176.000 0.123 0.000 0.996 239 Q CA 2.116 57.960 55.803 0.069 0.000 0.859 239 Q CB -0.462 28.291 28.738 0.024 0.000 0.920 239 Q HN 0.414 nan 8.270 nan 0.000 0.415 240 Y N 1.270 121.642 120.300 0.118 0.000 2.070 240 Y HA -0.267 3.647 4.550 -1.061 0.000 0.280 240 Y C 1.928 177.876 175.900 0.081 0.000 1.148 240 Y CA 1.702 59.884 58.100 0.136 0.000 1.125 240 Y CB -0.293 38.305 38.460 0.230 0.000 0.975 240 Y HN 0.013 nan 8.280 nan 0.000 0.492 241 L N -0.487 120.766 121.223 0.050 0.000 2.127 241 L HA -0.247 3.456 4.340 -1.061 0.000 0.211 241 L C 2.504 179.313 176.870 -0.101 0.000 1.089 241 L CA 1.431 56.226 54.840 -0.076 0.000 0.757 241 L CB -0.686 41.418 42.059 0.075 0.000 0.899 241 L HN 0.228 nan 8.230 nan 0.000 0.434 242 S N 0.179 115.850 115.700 -0.048 0.000 2.356 242 S HA -0.178 3.655 4.470 -1.061 0.000 0.223 242 S C 1.851 176.400 174.600 -0.084 0.000 1.032 242 S CA 1.266 59.435 58.200 -0.051 0.000 1.005 242 S CB -0.364 62.818 63.200 -0.029 0.000 0.867 242 S HN 0.273 nan 8.310 nan 0.000 0.449 243 L N 1.937 123.096 121.223 -0.107 0.000 2.131 243 L HA -0.001 3.703 4.340 -1.061 0.000 0.210 243 L C 2.106 178.881 176.870 -0.159 0.000 1.092 243 L CA 1.400 56.167 54.840 -0.122 0.000 0.759 243 L CB -0.585 41.406 42.059 -0.113 0.000 0.903 243 L HN 0.113 nan 8.230 nan 0.000 0.435 244 V N -0.183 119.582 119.914 -0.249 0.000 2.307 244 V HA -0.285 3.198 4.120 -1.061 0.000 0.245 244 V C 2.324 178.343 176.094 -0.124 0.000 1.045 244 V CA 1.918 64.084 62.300 -0.225 0.000 1.024 244 V CB -0.713 30.919 31.823 -0.317 0.000 0.651 244 V HN 0.557 nan 8.190 nan 0.000 0.449 245 D N -0.100 120.235 120.400 -0.108 0.000 2.123 245 D HA -0.238 3.765 4.640 -1.061 0.000 0.196 245 D C 2.350 178.619 176.300 -0.051 0.000 0.992 245 D CA 1.536 55.497 54.000 -0.064 0.000 0.833 245 D CB -0.152 40.616 40.800 -0.053 0.000 0.954 245 D HN 0.230 nan 8.370 nan 0.000 0.455 246 R N -0.302 120.164 120.500 -0.057 0.000 2.092 246 R HA -0.025 3.679 4.340 -1.061 0.000 0.231 246 R C 2.425 178.703 176.300 -0.037 0.000 1.119 246 R CA 0.988 57.062 56.100 -0.042 0.000 0.970 246 R CB -0.204 30.070 30.300 -0.044 0.000 0.864 246 R HN 0.314 nan 8.270 nan 0.000 0.440 247 I N 0.448 120.989 120.570 -0.048 0.000 2.286 247 I HA -0.278 3.255 4.170 -1.061 0.000 0.248 247 I C 2.032 178.134 176.117 -0.026 0.000 1.115 247 I CA 1.202 62.480 61.300 -0.037 0.000 1.392 247 I CB -0.108 37.861 38.000 -0.052 0.000 1.065 247 I HN 0.221 nan 8.210 nan 0.000 0.418 248 I N 0.170 120.723 120.570 -0.028 0.000 2.500 248 I HA -0.180 3.354 4.170 -1.061 0.000 0.252 248 I C 2.534 178.646 176.117 -0.009 0.000 1.142 248 I CA 1.114 62.406 61.300 -0.014 0.000 1.451 248 I CB -0.287 37.706 38.000 -0.012 0.000 1.093 248 I HN 0.156 nan 8.210 nan 0.000 0.430 249 R N 0.476 120.968 120.500 -0.014 0.000 2.140 249 R HA 0.012 3.716 4.340 -1.061 0.000 0.213 249 R C 1.407 177.703 176.300 -0.007 0.000 1.059 249 R CA 0.857 56.951 56.100 -0.009 0.000 1.000 249 R CB 0.141 30.433 30.300 -0.012 0.000 0.910 249 R HN 0.350 nan 8.270 nan 0.000 0.455 250 E N -0.476 119.718 120.200 -0.009 0.000 2.541 250 E HA 0.130 3.844 4.350 -1.061 0.000 0.219 250 E C 0.464 177.062 176.600 -0.003 0.000 0.922 250 E CA -0.264 56.132 56.400 -0.006 0.000 1.095 250 E CB 1.068 30.764 29.700 -0.007 0.000 1.112 250 E HN 0.207 nan 8.360 nan 0.000 0.516 251 G N 1.547 110.343 108.800 -0.006 0.000 2.630 251 G HA2 -0.037 3.287 3.960 -1.061 0.000 0.236 251 G HA3 -0.037 3.287 3.960 -1.061 0.000 0.236 251 G C -0.001 174.899 174.900 0.000 0.000 1.248 251 G CA -0.377 44.722 45.100 -0.002 0.000 0.844 251 G HN 0.041 nan 8.290 nan 0.000 0.588 252 N N -0.519 118.182 118.700 0.002 0.000 2.499 252 N HA 0.222 4.325 4.740 -1.061 0.000 0.281 252 N C -0.150 175.355 175.510 -0.008 0.000 1.098 252 N CA -0.392 52.658 53.050 0.000 0.000 0.979 252 N CB 2.074 40.560 38.487 -0.001 0.000 1.121 252 N HN 0.147 nan 8.380 nan 0.000 0.466 253 V N 2.521 122.436 119.914 0.002 0.000 2.498 253 V HA 0.266 3.750 4.120 -1.061 0.000 0.279 253 V C 0.329 176.428 176.094 0.008 0.000 1.048 253 V CA -0.114 62.186 62.300 0.000 0.000 0.967 253 V CB 0.432 32.285 31.823 0.049 0.000 0.988 253 V HN 0.539 nan 8.190 nan 0.000 0.473 254 K N 3.489 123.853 120.400 -0.059 0.000 2.501 254 K HA 0.600 4.284 4.320 -1.061 0.000 0.252 254 K C -1.627 174.886 176.600 -0.145 0.000 0.934 254 K CA -0.973 55.295 56.287 -0.032 0.000 0.797 254 K CB 2.362 34.826 32.500 -0.059 0.000 1.270 254 K HN 0.721 nan 8.250 nan 0.000 0.431 255 H N 0.951 120.012 119.070 -0.016 0.000 2.547 255 H HA 0.133 4.053 4.556 -1.060 0.000 0.342 255 H C -0.523 174.801 175.328 -0.006 0.000 1.048 255 H CA -0.641 55.405 56.048 -0.004 0.000 1.204 255 H CB 1.273 31.036 29.762 0.003 0.000 1.493 255 H HN 0.658 nan 8.280 nan 0.000 0.511 256 D N 1.387 121.830 120.400 0.073 0.000 2.348 256 D HA -0.003 4.000 4.640 -1.061 0.000 0.272 256 D C 1.569 177.908 176.300 0.064 0.000 1.237 256 D CA -0.695 53.335 54.000 0.049 0.000 1.042 256 D CB 0.861 41.676 40.800 0.026 0.000 1.117 256 D HN 0.427 nan 8.370 nan 0.000 0.548 257 R N -0.878 119.650 120.500 0.047 0.000 2.148 257 R HA -0.053 3.650 4.340 -1.061 0.000 0.227 257 R C 1.417 177.744 176.300 0.046 0.000 1.103 257 R CA 1.226 57.352 56.100 0.043 0.000 0.983 257 R CB -1.955 28.367 30.300 0.037 0.000 0.874 257 R HN 0.469 nan 8.270 nan 0.000 0.451 258 T N 0.037 114.622 114.554 0.051 0.000 3.055 258 T HA 0.173 3.886 4.350 -1.061 0.000 0.265 258 T C 1.178 175.913 174.700 0.058 0.000 1.111 258 T CA 1.302 63.431 62.100 0.048 0.000 1.118 258 T CB -0.076 68.818 68.868 0.044 0.000 0.909 258 T HN 0.637 nan 8.240 nan 0.000 0.501 259 G N 0.944 109.795 108.800 0.085 0.000 2.159 259 G HA2 -0.228 3.096 3.960 -1.061 0.000 0.227 259 G HA3 -0.228 3.095 3.960 -1.061 0.000 0.227 259 G C 0.205 175.209 174.900 0.173 0.000 0.986 259 G CA -0.177 45.001 45.100 0.130 0.000 0.651 259 G HN 0.491 nan 8.290 nan 0.000 0.523 260 V N 1.655 121.629 119.914 0.101 0.000 2.450 260 V HA 0.507 3.991 4.120 -1.061 0.000 0.281 260 V C 1.334 177.418 176.094 -0.016 0.000 1.019 260 V CA 0.737 63.078 62.300 0.069 0.000 1.062 260 V CB 0.902 32.772 31.823 0.079 0.000 0.979 260 V HN 0.716 nan 8.190 nan 0.000 0.477 261 G N 3.935 112.664 108.800 -0.119 0.000 2.412 261 G HA2 0.737 4.061 3.960 -1.061 0.000 0.318 261 G HA3 0.737 4.061 3.960 -1.061 0.000 0.318 261 G C -0.259 174.497 174.900 -0.239 0.000 1.146 261 G CA -0.064 44.742 45.100 -0.491 0.000 0.882 261 G HN 0.831 nan 8.290 nan 0.000 0.501 262 T N -1.479 112.894 114.554 -0.301 0.000 2.889 262 T HA 0.600 4.313 4.350 -1.061 0.000 0.315 262 T C -1.087 173.522 174.700 -0.152 0.000 1.291 262 T CA -0.772 61.191 62.100 -0.229 0.000 1.028 262 T CB 1.567 70.236 68.868 -0.332 0.000 1.235 262 T HN 0.305 nan 8.240 nan 0.000 0.491 263 L N 2.200 123.370 121.223 -0.088 0.000 2.334 263 L HA 0.880 4.584 4.340 -1.061 0.000 0.276 263 L C 0.107 176.968 176.870 -0.015 0.000 1.014 263 L CA -0.118 54.696 54.840 -0.043 0.000 0.815 263 L CB 2.104 44.148 42.059 -0.025 0.000 1.268 263 L HN 1.170 nan 8.230 nan 0.000 0.428 264 S N 1.780 117.479 115.700 -0.001 0.000 2.552 264 S HA 0.854 4.688 4.470 -1.061 0.000 0.272 264 S C -1.006 173.617 174.600 0.037 0.000 1.150 264 S CA -0.901 57.318 58.200 0.031 0.000 0.849 264 S CB 1.354 64.597 63.200 0.072 0.000 1.113 264 S HN 0.482 nan 8.310 nan 0.000 0.458 265 I N -1.233 119.367 120.570 0.050 0.000 2.957 265 I HA 0.927 4.460 4.170 -1.061 0.000 0.310 265 I C -1.134 175.070 176.117 0.145 0.000 1.063 265 I CA -1.192 60.149 61.300 0.069 0.000 1.033 265 I CB 1.255 39.267 38.000 0.019 0.000 1.230 265 I HN 0.682 nan 8.210 nan 0.000 0.447 266 F N 2.480 122.412 119.950 -0.031 0.000 2.493 266 F HA 0.787 5.316 4.527 0.004 0.000 0.329 266 F C 0.373 176.148 175.800 -0.041 0.000 1.126 266 F CA -0.245 57.735 58.000 -0.032 0.000 0.937 266 F CB 1.339 40.327 39.000 -0.019 0.000 1.146 266 F HN 1.063 nan 8.300 nan 0.000 0.442 267 G N 4.087 112.460 108.800 -0.711 0.000 3.445 267 G HA2 0.489 3.812 3.960 -1.061 0.000 0.680 267 G HA3 0.489 3.812 3.960 -1.061 0.000 0.680 267 G C -1.173 173.543 174.900 -0.307 0.000 0.972 267 G CA -0.253 44.482 45.100 -0.608 0.000 0.798 267 G HN 1.753 nan 8.290 nan 0.000 0.461 268 A N 2.423 125.072 122.820 -0.286 0.000 2.601 268 A HA 0.967 4.650 4.320 -1.061 0.000 0.291 268 A C -0.541 176.924 177.584 -0.198 0.000 1.075 268 A CA 0.022 51.937 52.037 -0.202 0.000 0.671 268 A CB 1.841 20.736 19.000 -0.175 0.000 1.277 268 A HN 1.405 nan 8.150 nan 0.000 0.417 269 Q N 0.015 119.729 119.800 -0.144 0.000 2.377 269 Q HA 0.760 4.463 4.340 -1.061 0.000 0.279 269 Q C -1.690 174.258 176.000 -0.086 0.000 1.049 269 Q CA -0.461 55.275 55.803 -0.113 0.000 0.825 269 Q CB 2.196 30.877 28.738 -0.095 0.000 1.401 269 Q HN 0.809 nan 8.270 nan 0.000 0.404 270 M N 1.803 121.376 119.600 -0.045 0.000 2.550 270 M HA 0.589 4.433 4.480 -1.061 0.000 0.292 270 M C -1.109 175.046 176.300 -0.241 0.000 1.221 270 M CA -0.695 54.525 55.300 -0.133 0.000 0.873 270 M CB 2.762 35.370 32.600 0.014 0.000 1.727 270 M HN 0.387 nan 8.290 nan 0.000 0.459 271 R N 1.224 121.414 120.500 -0.517 0.000 2.562 271 R HA 0.715 4.419 4.340 -1.061 0.000 0.298 271 R C -1.841 174.005 176.300 -0.757 0.000 0.961 271 R CA -0.444 55.407 56.100 -0.414 0.000 0.881 271 R CB 1.875 32.045 30.300 -0.217 0.000 1.159 271 R HN 0.465 nan 8.270 nan 0.000 0.450 272 F N 0.394 120.371 119.950 0.045 0.000 2.539 272 F HA 0.228 4.117 4.527 -1.064 0.000 0.328 272 F C 0.590 176.403 175.800 0.021 0.000 1.148 272 F CA -0.693 57.330 58.000 0.039 0.000 0.940 272 F CB 2.130 41.125 39.000 -0.009 0.000 1.194 272 F HN 0.344 nan 8.300 nan 0.000 0.438 273 S N 3.504 119.302 115.700 0.163 0.000 2.560 273 S HA 0.358 4.191 4.470 -1.061 0.000 0.284 273 S C 0.363 175.015 174.600 0.086 0.000 1.327 273 S CA -0.115 58.145 58.200 0.101 0.000 1.055 273 S CB 0.325 63.571 63.200 0.077 0.000 0.868 273 S HN 0.710 nan 8.310 nan 0.000 0.506 274 L N 4.101 125.363 121.223 0.066 0.000 3.184 274 L HA 0.291 3.994 4.340 -1.061 0.000 0.283 274 L C 0.699 177.596 176.870 0.045 0.000 1.218 274 L CA -0.301 54.564 54.840 0.042 0.000 1.028 274 L CB 0.118 42.214 42.059 0.062 0.000 1.400 274 L HN 0.535 nan 8.230 nan 0.000 0.591 275 R N 1.017 121.546 120.500 0.048 0.000 2.582 275 R HA 0.186 3.889 4.340 -1.061 0.000 0.271 275 R C 0.150 176.496 176.300 0.077 0.000 1.078 275 R CA -0.524 55.609 56.100 0.055 0.000 1.127 275 R CB 0.174 30.500 30.300 0.042 0.000 1.038 275 R HN 0.148 nan 8.270 nan 0.000 0.500 276 N N 1.749 120.504 118.700 0.091 0.000 2.714 276 N HA -0.236 3.867 4.740 -1.061 0.000 0.252 276 N C -0.927 174.706 175.510 0.206 0.000 1.014 276 N CA 1.296 54.425 53.050 0.133 0.000 0.735 276 N CB -1.238 37.337 38.487 0.146 0.000 0.924 276 N HN 0.825 nan 8.380 nan 0.000 0.540 277 N N -2.026 116.768 118.700 0.157 0.000 2.776 277 N HA -0.195 3.908 4.740 -1.061 0.000 0.250 277 N C -0.622 174.968 175.510 0.134 0.000 1.112 277 N CA 0.730 53.885 53.050 0.176 0.000 0.733 277 N CB -0.528 38.096 38.487 0.230 0.000 1.097 277 N HN 0.425 nan 8.380 nan 0.000 0.558 278 R N 0.684 121.180 120.500 -0.005 0.000 2.234 278 R HA 0.362 4.065 4.340 -1.061 0.000 0.324 278 R C -0.508 175.651 176.300 -0.234 0.000 1.054 278 R CA -0.584 55.373 56.100 -0.239 0.000 0.912 278 R CB 0.715 30.920 30.300 -0.157 0.000 1.030 278 R HN 0.189 nan 8.270 nan 0.000 0.455 279 L N 6.893 127.900 121.223 -0.361 0.000 2.305 279 L HA 0.405 4.109 4.340 -1.061 0.000 0.284 279 L C -2.045 174.441 176.870 -0.641 0.000 1.013 279 L CA -1.838 52.748 54.840 -0.424 0.000 0.819 279 L CB 1.816 43.564 42.059 -0.517 0.000 1.227 279 L HN 0.416 nan 8.230 nan 0.000 0.417 280 P HA 0.076 nan 4.420 nan 0.000 0.218 280 P C -0.463 176.133 177.300 -1.174 0.000 1.793 280 P CA -0.009 62.218 63.100 -1.455 0.000 0.941 280 P CB -0.146 30.918 31.700 -1.061 0.000 1.919 281 L N 1.922 122.650 121.223 -0.825 0.000 2.369 281 L HA 0.183 3.887 4.340 -1.061 0.000 0.279 281 L C 1.110 177.935 176.870 -0.076 0.000 1.108 281 L CA -0.666 53.888 54.840 -0.477 0.000 0.852 281 L CB 0.488 42.113 42.059 -0.723 0.000 1.169 281 L HN 0.050 nan 8.230 nan 0.000 0.452 282 L N 3.354 124.593 121.223 0.027 0.000 2.514 282 L HA -0.037 3.667 4.340 -1.061 0.000 0.280 282 L C 1.590 178.695 176.870 0.392 0.000 1.223 282 L CA 0.169 55.180 54.840 0.285 0.000 0.864 282 L CB 0.512 42.573 42.059 0.005 0.000 1.118 282 L HN 0.722 nan 8.230 nan 0.000 0.494 283 T N -3.983 110.792 114.554 0.368 0.000 3.044 283 T HA -0.083 3.630 4.350 -1.061 0.000 0.255 283 T C 1.484 176.357 174.700 0.288 0.000 1.073 283 T CA 0.583 62.840 62.100 0.263 0.000 1.125 283 T CB -0.230 68.737 68.868 0.166 0.000 0.908 283 T HN 0.754 nan 8.240 nan 0.000 0.480 284 T N -0.674 114.060 114.554 0.300 0.000 3.227 284 T HA 0.242 3.956 4.350 -1.061 0.000 0.257 284 T C 0.404 175.229 174.700 0.208 0.000 1.162 284 T CA -0.097 62.174 62.100 0.286 0.000 1.051 284 T CB -0.271 68.700 68.868 0.173 0.000 0.953 284 T HN 0.206 nan 8.240 nan 0.000 0.535 285 K N 1.127 121.644 120.400 0.195 0.000 2.577 285 K HA 0.184 3.868 4.320 -1.061 0.000 0.267 285 K C -1.070 175.630 176.600 0.166 0.000 0.979 285 K CA -0.351 56.027 56.287 0.152 0.000 0.942 285 K CB 2.028 34.613 32.500 0.141 0.000 1.343 285 K HN 0.329 nan 8.250 nan 0.000 0.436 286 R N 2.261 122.842 120.500 0.135 0.000 2.640 286 R HA 0.179 3.882 4.340 -1.061 0.000 0.270 286 R C -0.592 175.868 176.300 0.267 0.000 1.024 286 R CA 0.083 56.301 56.100 0.198 0.000 1.085 286 R CB 0.502 30.873 30.300 0.119 0.000 0.963 286 R HN 0.225 nan 8.270 nan 0.000 0.426 287 V N 6.106 126.244 119.914 0.373 0.000 2.513 287 V HA 0.175 3.658 4.120 -1.061 0.000 0.299 287 V C -0.011 176.299 176.094 0.360 0.000 1.035 287 V CA -0.605 61.870 62.300 0.293 0.000 0.889 287 V CB 1.589 33.508 31.823 0.160 0.000 0.988 287 V HN 0.742 nan 8.190 nan 0.000 0.440 288 F N 4.876 124.937 119.950 0.185 0.000 2.677 288 F HA 0.026 3.916 4.527 -1.062 0.000 0.358 288 F C 1.213 177.052 175.800 0.066 0.000 1.266 288 F CA -0.160 57.942 58.000 0.169 0.000 1.262 288 F CB -0.102 39.042 39.000 0.240 0.000 1.684 288 F HN 0.853 nan 8.300 nan 0.000 0.671 289 W N 4.766 126.031 121.300 -0.058 0.000 2.374 289 W HA -0.192 3.831 4.660 -1.062 0.000 0.288 289 W C 1.720 178.016 176.519 -0.372 0.000 1.218 289 W CA 1.124 58.291 57.345 -0.297 0.000 1.245 289 W CB -0.197 29.107 29.460 -0.260 0.000 1.126 289 W HN 0.478 nan 8.180 nan 0.000 0.545 290 R N 0.418 120.717 120.500 -0.335 0.000 2.066 290 R HA -0.086 3.618 4.340 -1.061 0.000 0.232 290 R C 2.674 178.466 176.300 -0.847 0.000 1.131 290 R CA 2.007 57.824 56.100 -0.471 0.000 0.955 290 R CB -1.020 29.219 30.300 -0.102 0.000 0.851 290 R HN 0.186 nan 8.270 nan 0.000 0.432 291 G N 0.003 107.829 108.800 -1.624 0.000 2.446 291 G HA2 -0.236 3.088 3.960 -1.061 0.000 0.217 291 G HA3 -0.236 3.088 3.960 -1.061 0.000 0.217 291 G C 1.393 175.881 174.900 -0.687 0.000 1.168 291 G CA 1.024 45.232 45.100 -1.488 0.000 0.771 291 G HN 0.222 nan 8.290 nan 0.000 0.551 292 V N 0.122 119.471 119.914 -0.941 0.000 2.287 292 V HA -0.237 3.246 4.120 -1.061 0.000 0.248 292 V C 2.955 178.517 176.094 -0.887 0.000 1.053 292 V CA 1.793 63.392 62.300 -1.168 0.000 1.027 292 V CB -0.847 30.193 31.823 -1.305 0.000 0.646 292 V HN 0.576 nan 8.190 nan 0.000 0.447 293 C N 0.120 118.751 119.300 -1.114 0.000 2.436 293 C HA -0.130 3.694 4.460 -1.061 0.000 0.277 293 C C 2.873 177.562 174.990 -0.502 0.000 1.241 293 C CA 1.154 59.601 59.018 -0.952 0.000 1.721 293 C CB -0.997 26.073 27.740 -1.116 0.000 2.043 293 C HN 0.594 nan 8.230 nan 0.000 0.472 294 E N 0.327 120.260 120.200 -0.445 0.000 2.118 294 E HA -0.220 3.493 4.350 -1.061 0.000 0.195 294 E C 2.064 178.523 176.600 -0.235 0.000 0.992 294 E CA 1.374 57.605 56.400 -0.282 0.000 0.804 294 E CB -0.597 28.928 29.700 -0.291 0.000 0.741 294 E HN 0.789 nan 8.360 nan 0.000 0.458 295 E N 0.334 120.346 120.200 -0.314 0.000 2.112 295 E HA -0.115 3.599 4.350 -1.061 0.000 0.190 295 E C 2.112 178.429 176.600 -0.472 0.000 0.979 295 E CA 0.194 56.383 56.400 -0.352 0.000 0.814 295 E CB 0.076 29.592 29.700 -0.306 0.000 0.762 295 E HN 0.091 nan 8.360 nan 0.000 0.460 296 L N 1.009 122.053 121.223 -0.299 0.000 2.027 296 L HA -0.144 3.560 4.340 -1.061 0.000 0.206 296 L C 2.182 179.094 176.870 0.069 0.000 1.074 296 L CA 1.292 56.109 54.840 -0.038 0.000 0.745 296 L CB -0.809 41.222 42.059 -0.046 0.000 0.898 296 L HN 0.261 nan 8.230 nan 0.000 0.433 297 L N -0.934 120.292 121.223 0.004 0.000 2.083 297 L HA -0.221 3.483 4.340 -1.061 0.000 0.209 297 L C 2.324 179.270 176.870 0.126 0.000 1.083 297 L CA 1.757 56.647 54.840 0.083 0.000 0.752 297 L CB -1.367 40.725 42.059 0.056 0.000 0.899 297 L HN 0.482 nan 8.230 nan 0.000 0.433 298 W N -0.602 120.601 121.300 -0.161 0.000 2.338 298 W HA -0.264 3.758 4.660 -1.063 0.000 0.304 298 W C 2.268 178.740 176.519 -0.079 0.000 1.212 298 W CA 1.390 58.632 57.345 -0.172 0.000 1.264 298 W CB -0.360 28.904 29.460 -0.326 0.000 1.142 298 W HN 0.085 nan 8.180 nan 0.000 0.512 299 F N 0.332 120.291 119.950 0.015 0.000 2.014 299 F HA -0.178 3.714 4.527 -1.059 0.000 0.295 299 F C 2.399 178.163 175.800 -0.061 0.000 1.145 299 F CA 1.614 59.463 58.000 -0.252 0.000 1.178 299 F CB -1.620 37.151 39.000 -0.382 0.000 0.972 299 F HN -0.268 nan 8.300 nan 0.000 0.476 300 L N -0.447 121.025 121.223 0.415 0.000 2.283 300 L HA -0.255 3.449 4.340 -1.061 0.000 0.217 300 L C 2.231 179.205 176.870 0.174 0.000 1.104 300 L CA 1.251 56.295 54.840 0.339 0.000 0.772 300 L CB -0.656 41.560 42.059 0.262 0.000 0.899 300 L HN 0.149 nan 8.230 nan 0.000 0.439 301 R N -0.113 120.450 120.500 0.104 0.000 2.310 301 R HA 0.071 3.774 4.340 -1.061 0.000 0.202 301 R C 1.184 177.494 176.300 0.016 0.000 0.933 301 R CA 0.538 56.672 56.100 0.056 0.000 1.054 301 R CB 0.157 30.488 30.300 0.051 0.000 0.985 301 R HN 0.430 nan 8.270 nan 0.000 0.489 302 G N 1.854 110.643 108.800 -0.018 0.000 2.198 302 G HA2 -0.240 3.084 3.960 -1.061 0.000 0.257 302 G HA3 -0.240 3.084 3.960 -1.061 0.000 0.257 302 G C -0.288 174.565 174.900 -0.078 0.000 1.042 302 G CA 0.046 45.137 45.100 -0.015 0.000 0.791 302 G HN 0.275 nan 8.290 nan 0.000 0.502 303 E N -0.478 119.495 120.200 -0.378 0.000 2.349 303 E HA 0.529 4.243 4.350 -1.061 0.000 0.262 303 E C 1.323 177.499 176.600 -0.706 0.000 1.088 303 E CA 0.475 56.551 56.400 -0.540 0.000 0.899 303 E CB 1.108 30.217 29.700 -0.984 0.000 1.044 303 E HN 0.656 nan 8.360 nan 0.000 0.420 304 T N -2.952 111.417 114.554 -0.308 0.000 3.131 304 T HA 0.013 3.726 4.350 -1.061 0.000 0.283 304 T C -0.143 174.628 174.700 0.117 0.000 0.906 304 T CA -0.349 61.622 62.100 -0.214 0.000 0.882 304 T CB -0.253 68.496 68.868 -0.199 0.000 1.208 304 T HN 0.328 nan 8.240 nan 0.000 0.561 305 Y N 3.031 123.374 120.300 0.072 0.000 2.594 305 Y HA 0.740 4.654 4.550 -1.061 0.000 0.342 305 Y C 1.423 177.414 175.900 0.152 0.000 1.010 305 Y CA -1.795 56.267 58.100 -0.063 0.000 1.270 305 Y CB 0.453 38.687 38.460 -0.377 0.000 1.125 305 Y HN 0.259 nan 8.280 nan 0.000 0.513 306 A N 4.984 127.747 122.820 -0.096 0.000 2.024 306 A HA -0.208 3.475 4.320 -1.061 0.000 0.220 306 A C 2.356 179.644 177.584 -0.493 0.000 1.164 306 A CA 1.700 53.514 52.037 -0.371 0.000 0.643 306 A CB -0.442 18.401 19.000 -0.262 0.000 0.806 306 A HN 0.792 nan 8.150 nan 0.000 0.451 307 K N 0.241 120.179 120.400 -0.769 0.000 2.160 307 K HA -0.211 3.472 4.320 -1.061 0.000 0.206 307 K C 1.753 178.107 176.600 -0.410 0.000 1.047 307 K CA 1.758 57.656 56.287 -0.650 0.000 0.930 307 K CB -0.182 31.718 32.500 -0.999 0.000 0.720 307 K HN 0.521 nan 8.250 nan 0.000 0.450 308 K N 0.357 120.550 120.400 -0.345 0.000 2.209 308 K HA -0.109 3.575 4.320 -1.061 0.000 0.204 308 K C 2.072 178.530 176.600 -0.237 0.000 1.048 308 K CA 1.115 57.318 56.287 -0.140 0.000 0.940 308 K CB -0.022 32.528 32.500 0.083 0.000 0.729 308 K HN 0.220 nan 8.250 nan 0.000 0.451 309 L N 0.563 121.528 121.223 -0.430 0.000 2.068 309 L HA -0.109 3.595 4.340 -1.061 0.000 0.204 309 L C 2.521 179.171 176.870 -0.367 0.000 1.076 309 L CA 1.164 55.718 54.840 -0.477 0.000 0.753 309 L CB -0.599 41.045 42.059 -0.692 0.000 0.910 309 L HN 0.195 nan 8.230 nan 0.000 0.439 310 S N -1.328 114.166 115.700 -0.343 0.000 2.507 310 S HA -0.143 3.691 4.470 -1.061 0.000 0.235 310 S C 1.357 175.833 174.600 -0.206 0.000 0.988 310 S CA 0.967 58.969 58.200 -0.331 0.000 0.944 310 S CB -0.318 62.817 63.200 -0.108 0.000 0.762 310 S HN 0.352 nan 8.310 nan 0.000 0.526 311 D N 1.999 122.301 120.400 -0.165 0.000 2.162 311 D HA 0.061 4.064 4.640 -1.061 0.000 0.205 311 D C 1.304 177.558 176.300 -0.077 0.000 0.964 311 D CA 0.888 54.839 54.000 -0.081 0.000 0.847 311 D CB -0.168 40.597 40.800 -0.058 0.000 0.988 311 D HN 0.466 nan 8.370 nan 0.000 0.480 312 K N 0.516 120.848 120.400 -0.113 0.000 2.630 312 K HA 0.169 3.853 4.320 -1.061 0.000 0.204 312 K C 0.669 177.210 176.600 -0.098 0.000 1.024 312 K CA 0.203 56.438 56.287 -0.087 0.000 1.157 312 K CB 0.045 32.485 32.500 -0.100 0.000 0.899 312 K HN 0.106 nan 8.250 nan 0.000 0.501 313 G N 1.026 109.741 108.800 -0.141 0.000 2.273 313 G HA2 -0.239 3.085 3.960 -1.061 0.000 0.280 313 G HA3 -0.239 3.085 3.960 -1.061 0.000 0.280 313 G C -0.167 174.578 174.900 -0.259 0.000 1.047 313 G CA -0.038 44.968 45.100 -0.156 0.000 0.869 313 G HN 0.186 nan 8.290 nan 0.000 0.502 314 V N 1.347 120.986 119.914 -0.459 0.000 2.376 314 V HA 0.426 3.910 4.120 -1.061 0.000 0.287 314 V C 0.360 176.165 176.094 -0.482 0.000 1.015 314 V CA -0.928 61.222 62.300 -0.250 0.000 0.834 314 V CB 1.519 33.214 31.823 -0.212 0.000 1.001 314 V HN 0.437 nan 8.190 nan 0.000 0.428 315 H N 5.290 124.391 119.070 0.051 0.000 2.469 315 H HA 0.234 4.153 4.556 -1.061 0.000 0.286 315 H C 1.649 176.950 175.328 -0.045 0.000 1.106 315 H CA 0.091 56.131 56.048 -0.013 0.000 1.055 315 H CB 0.557 30.305 29.762 -0.024 0.000 1.618 315 H HN 0.791 nan 8.280 nan 0.000 0.559 316 I N -3.401 117.155 120.570 -0.023 0.000 2.756 316 I HA -0.093 3.441 4.170 -1.061 0.000 0.262 316 I C 1.065 177.006 176.117 -0.292 0.000 1.225 316 I CA 1.199 62.386 61.300 -0.187 0.000 1.472 316 I CB -0.137 37.667 38.000 -0.326 0.000 1.094 316 I HN 0.025 nan 8.210 nan 0.000 0.454 317 W N 1.402 122.611 121.300 -0.152 0.000 2.991 317 W HA 0.211 4.234 4.660 -1.061 0.000 0.391 317 W C 1.334 177.806 176.519 -0.077 0.000 1.054 317 W CA -0.493 56.777 57.345 -0.124 0.000 1.856 317 W CB 0.261 29.602 29.460 -0.200 0.000 1.132 317 W HN 0.039 nan 8.180 nan 0.000 0.601 318 D N 0.307 120.780 120.400 0.122 0.000 2.097 318 D HA -0.178 3.826 4.640 -1.061 0.000 0.197 318 D C 1.506 177.844 176.300 0.063 0.000 0.984 318 D CA 1.562 55.620 54.000 0.097 0.000 0.826 318 D CB -0.415 40.436 40.800 0.085 0.000 0.973 318 D HN 0.002 nan 8.370 nan 0.000 0.460 319 D N 0.366 120.756 120.400 -0.016 0.000 2.116 319 D HA -0.104 3.900 4.640 -1.061 0.000 0.193 319 D C 1.012 177.211 176.300 -0.168 0.000 0.998 319 D CA 0.930 54.876 54.000 -0.090 0.000 0.836 319 D CB -0.400 40.300 40.800 -0.166 0.000 0.951 319 D HN 0.269 nan 8.370 nan 0.000 0.449 320 N N -1.093 117.499 118.700 -0.180 0.000 2.383 320 N HA 0.147 4.250 4.740 -1.061 0.000 0.192 320 N C 1.213 176.961 175.510 0.396 0.000 1.141 320 N CA 0.186 53.097 53.050 -0.232 0.000 0.851 320 N CB 0.729 39.151 38.487 -0.108 0.000 0.976 320 N HN 0.096 nan 8.380 nan 0.000 0.465 321 G N -0.019 108.970 108.800 0.315 0.000 2.944 321 G HA2 -0.025 3.298 3.960 -1.061 0.000 0.223 321 G HA3 -0.025 3.298 3.960 -1.061 0.000 0.223 321 G C 0.547 175.603 174.900 0.260 0.000 1.071 321 G CA -0.248 45.039 45.100 0.312 0.000 0.806 321 G HN 0.289 nan 8.290 nan 0.000 0.538 322 S N 0.209 116.053 115.700 0.240 0.000 2.592 322 S HA 0.128 3.962 4.470 -1.061 0.000 0.256 322 S C 1.494 176.220 174.600 0.210 0.000 1.369 322 S CA 0.357 58.673 58.200 0.193 0.000 0.984 322 S CB 1.376 64.675 63.200 0.164 0.000 0.919 322 S HN 0.250 nan 8.310 nan 0.000 0.576 323 R N 1.005 121.597 120.500 0.153 0.000 2.073 323 R HA 0.102 3.806 4.340 -1.061 0.000 0.229 323 R C 2.393 178.761 176.300 0.113 0.000 1.120 323 R CA 1.751 57.927 56.100 0.127 0.000 0.967 323 R CB -1.400 28.957 30.300 0.096 0.000 0.862 323 R HN 0.796 nan 8.270 nan 0.000 0.436 324 A N 0.063 122.956 122.820 0.121 0.000 1.883 324 A HA -0.161 3.522 4.320 -1.061 0.000 0.217 324 A C 2.147 179.814 177.584 0.139 0.000 1.186 324 A CA 1.593 53.697 52.037 0.111 0.000 0.624 324 A CB -0.924 18.143 19.000 0.111 0.000 0.822 324 A HN 0.518 nan 8.150 nan 0.000 0.444 325 F N -0.161 119.825 119.950 0.060 0.000 2.163 325 F HA -0.034 3.855 4.527 -1.064 0.000 0.297 325 F C 1.761 177.606 175.800 0.074 0.000 1.094 325 F CA 1.102 59.142 58.000 0.066 0.000 1.290 325 F CB -0.298 38.752 39.000 0.082 0.000 1.017 325 F HN 0.125 nan 8.300 nan 0.000 0.483 326 L N 0.774 121.983 121.223 -0.023 0.000 2.046 326 L HA -0.219 3.484 4.340 -1.061 0.000 0.208 326 L C 1.997 178.776 176.870 -0.152 0.000 1.077 326 L CA 1.820 56.601 54.840 -0.098 0.000 0.747 326 L CB -1.333 40.795 42.059 0.116 0.000 0.896 326 L HN 0.081 nan 8.230 nan 0.000 0.432 327 D N -1.278 119.080 120.400 -0.071 0.000 2.144 327 D HA -0.140 3.863 4.640 -1.061 0.000 0.199 327 D C 2.303 178.535 176.300 -0.112 0.000 0.984 327 D CA 1.390 55.349 54.000 -0.069 0.000 0.834 327 D CB -0.094 40.696 40.800 -0.017 0.000 0.955 327 D HN 0.415 nan 8.370 nan 0.000 0.465 328 S N -0.729 114.882 115.700 -0.148 0.000 2.561 328 S HA 0.020 3.853 4.470 -1.061 0.000 0.225 328 S C 1.693 176.150 174.600 -0.237 0.000 0.977 328 S CA 0.269 58.378 58.200 -0.152 0.000 0.926 328 S CB 0.203 63.346 63.200 -0.095 0.000 0.769 328 S HN -0.029 nan 8.310 nan 0.000 0.533 329 R N 0.366 120.669 120.500 -0.328 0.000 2.397 329 R HA 0.310 4.014 4.340 -1.061 0.000 0.241 329 R C 1.480 177.655 176.300 -0.209 0.000 0.914 329 R CA 0.458 56.375 56.100 -0.304 0.000 1.071 329 R CB -0.273 29.781 30.300 -0.410 0.000 1.116 329 R HN 0.616 nan 8.270 nan 0.000 0.524 330 G N 1.075 109.766 108.800 -0.183 0.000 2.143 330 G HA2 -0.232 3.091 3.960 -1.061 0.000 0.249 330 G HA3 -0.232 3.091 3.960 -1.061 0.000 0.249 330 G C 0.259 175.030 174.900 -0.215 0.000 0.981 330 G CA 0.154 45.157 45.100 -0.161 0.000 0.665 330 G HN 0.299 nan 8.290 nan 0.000 0.528 331 L N 2.115 123.187 121.223 -0.253 0.000 3.035 331 L HA 0.233 3.937 4.340 -1.061 0.000 0.232 331 L C 2.177 178.909 176.870 -0.229 0.000 1.341 331 L CA 0.395 54.989 54.840 -0.410 0.000 1.177 331 L CB -0.296 41.505 42.059 -0.431 0.000 1.555 331 L HN 0.350 nan 8.230 nan 0.000 0.473 332 T N -4.699 109.765 114.554 -0.150 0.000 3.098 332 T HA -0.133 3.581 4.350 -1.061 0.000 0.266 332 T C 1.379 176.073 174.700 -0.009 0.000 1.145 332 T CA 0.802 62.870 62.100 -0.054 0.000 1.092 332 T CB 0.085 68.925 68.868 -0.047 0.000 0.908 332 T HN 0.204 nan 8.240 nan 0.000 0.526 333 E N -0.345 119.829 120.200 -0.044 0.000 2.472 333 E HA 0.226 3.939 4.350 -1.061 0.000 0.196 333 E C -0.620 176.164 176.600 0.307 0.000 1.033 333 E CA -0.195 56.255 56.400 0.083 0.000 0.886 333 E CB 0.102 29.823 29.700 0.036 0.000 0.944 333 E HN 0.525 nan 8.360 nan 0.000 0.492 334 Y N 1.315 121.701 120.300 0.143 0.000 2.299 334 Y HA 0.283 4.195 4.550 -1.062 0.000 0.326 334 Y C 0.801 176.801 175.900 0.167 0.000 1.164 334 Y CA -1.540 56.678 58.100 0.198 0.000 1.234 334 Y CB 0.390 38.953 38.460 0.170 0.000 1.219 334 Y HN -0.092 nan 8.280 nan 0.000 0.497 335 E N 1.283 121.687 120.200 0.339 0.000 2.418 335 E HA -0.027 3.686 4.350 -1.061 0.000 0.261 335 E C -0.345 176.415 176.600 0.268 0.000 1.070 335 E CA -0.221 56.321 56.400 0.237 0.000 0.931 335 E CB 0.517 30.351 29.700 0.223 0.000 0.954 335 E HN 0.596 nan 8.360 nan 0.000 0.439 336 E N 3.266 123.598 120.200 0.221 0.000 2.417 336 E HA -0.114 3.600 4.350 -1.061 0.000 0.261 336 E C -0.131 176.596 176.600 0.212 0.000 1.000 336 E CA 0.395 56.916 56.400 0.201 0.000 0.919 336 E CB 0.169 29.960 29.700 0.151 0.000 0.955 336 E HN 0.559 nan 8.360 nan 0.000 0.455 337 M N 2.439 122.151 119.600 0.187 0.000 2.936 337 M HA -0.198 3.646 4.480 -1.061 0.000 0.216 337 M C -0.735 175.653 176.300 0.146 0.000 0.544 337 M CA 0.445 55.812 55.300 0.112 0.000 0.774 337 M CB -1.054 31.515 32.600 -0.052 0.000 2.799 337 M HN 0.482 nan 8.290 nan 0.000 0.474 338 D N 1.355 121.877 120.400 0.203 0.000 2.479 338 D HA 0.450 4.454 4.640 -1.061 0.000 0.247 338 D C 0.716 176.993 176.300 -0.039 0.000 1.119 338 D CA -0.346 53.732 54.000 0.130 0.000 0.922 338 D CB 0.343 41.256 40.800 0.188 0.000 1.014 338 D HN 0.448 nan 8.370 nan 0.000 0.510 339 L N 2.097 123.288 121.223 -0.054 0.000 2.353 339 L HA 0.171 3.875 4.340 -1.061 0.000 0.220 339 L C 1.591 178.312 176.870 -0.248 0.000 1.133 339 L CA 0.582 55.383 54.840 -0.065 0.000 0.798 339 L CB -0.983 40.986 42.059 -0.150 0.000 0.922 339 L HN 0.567 nan 8.230 nan 0.000 0.445 340 G N 0.029 108.438 108.800 -0.651 0.000 2.610 340 G HA2 -0.176 3.148 3.960 -1.061 0.000 0.304 340 G HA3 -0.176 3.148 3.960 -1.061 0.000 0.304 340 G C -2.407 171.662 174.900 -1.385 0.000 1.309 340 G CA -0.314 44.070 45.100 -1.193 0.000 0.906 340 G HN 0.027 nan 8.290 nan 0.000 0.521 341 P HA 0.188 nan 4.420 nan 0.000 0.301 341 P C 1.139 178.150 177.300 -0.482 0.000 1.560 341 P CA 0.893 63.269 63.100 -1.206 0.000 0.784 341 P CB -0.917 30.217 31.700 -0.943 0.000 1.715 342 V N -3.913 115.741 119.914 -0.433 0.000 3.697 342 V HA 0.036 3.520 4.120 -1.061 0.000 0.285 342 V C 1.521 177.483 176.094 -0.219 0.000 1.041 342 V CA -0.504 61.622 62.300 -0.290 0.000 1.045 342 V CB -1.056 30.642 31.823 -0.209 0.000 1.227 342 V HN 0.103 nan 8.190 nan 0.000 0.448 343 Y N 1.380 121.539 120.300 -0.234 0.000 1.521 343 Y HA -0.434 3.479 4.550 -1.062 0.000 0.107 343 Y C 2.575 177.961 175.900 -0.857 0.000 0.782 343 Y CA 2.932 60.695 58.100 -0.561 0.000 0.495 343 Y CB -1.800 36.240 38.460 -0.699 0.000 0.551 343 Y HN 0.824 nan 8.280 nan 0.000 0.735 344 G N -1.474 106.955 108.800 -0.620 0.000 2.469 344 G HA2 -0.329 2.995 3.960 -1.061 0.000 0.219 344 G HA3 -0.329 2.995 3.960 -1.061 0.000 0.219 344 G C 1.419 176.266 174.900 -0.088 0.000 1.150 344 G CA 1.083 45.903 45.100 -0.467 0.000 0.763 344 G HN 0.481 nan 8.290 nan 0.000 0.561 345 F N 1.083 120.905 119.950 -0.213 0.000 2.120 345 F HA -0.143 3.746 4.527 -1.062 0.000 0.300 345 F C 2.862 178.668 175.800 0.011 0.000 1.095 345 F CA 1.941 59.885 58.000 -0.093 0.000 1.249 345 F CB 0.129 38.966 39.000 -0.272 0.000 0.995 345 F HN 0.093 nan 8.300 nan 0.000 0.480 346 Q N -1.038 118.862 119.800 0.166 0.000 2.297 346 Q HA -0.157 3.546 4.340 -1.061 0.000 0.204 346 Q C 1.920 178.193 176.000 0.455 0.000 0.962 346 Q CA 0.944 56.881 55.803 0.224 0.000 0.879 346 Q CB -0.629 28.226 28.738 0.195 0.000 0.947 346 Q HN 0.531 nan 8.270 nan 0.000 0.462 347 W N 1.069 122.456 121.300 0.145 0.000 2.407 347 W HA -0.022 3.999 4.660 -1.065 0.000 0.305 347 W C 1.803 178.314 176.519 -0.014 0.000 1.196 347 W CA 0.595 58.027 57.345 0.145 0.000 1.311 347 W CB -0.135 29.398 29.460 0.121 0.000 1.135 347 W HN 0.100 nan 8.180 nan 0.000 0.514 348 R N -0.916 119.629 120.500 0.075 0.000 2.334 348 R HA 0.101 3.805 4.340 -1.061 0.000 0.212 348 R C -0.135 175.756 176.300 -0.681 0.000 0.897 348 R CA 0.551 56.480 56.100 -0.286 0.000 1.056 348 R CB -0.460 29.608 30.300 -0.387 0.000 1.046 348 R HN 0.275 nan 8.270 nan 0.000 0.513 349 H N -0.544 118.392 119.070 -0.224 0.000 2.947 349 H HA 0.128 4.047 4.556 -1.061 0.000 0.222 349 H C -0.960 174.253 175.328 -0.191 0.000 1.414 349 H CA -0.902 54.931 56.048 -0.359 0.000 1.224 349 H CB -0.365 28.818 29.762 -0.966 0.000 2.100 349 H HN -0.059 nan 8.280 nan 0.000 0.524 350 F N 1.891 121.832 119.950 -0.014 0.000 2.602 350 F HA 0.267 4.156 4.527 -1.064 0.000 0.385 350 F C 1.528 177.371 175.800 0.072 0.000 1.063 350 F CA 1.965 60.002 58.000 0.061 0.000 1.233 350 F CB 0.491 39.540 39.000 0.082 0.000 1.067 350 F HN 0.661 nan 8.300 nan 0.000 0.564 351 G N 3.597 112.183 108.800 -0.358 0.000 2.184 351 G HA2 -0.210 3.113 3.960 -1.061 0.000 0.264 351 G HA3 -0.210 3.113 3.960 -1.061 0.000 0.264 351 G C 0.372 175.300 174.900 0.046 0.000 0.975 351 G CA 0.081 45.114 45.100 -0.113 0.000 0.642 351 G HN 1.314 nan 8.290 nan 0.000 0.536 352 A N 0.152 123.031 122.820 0.099 0.000 2.466 352 A HA 0.722 4.405 4.320 -1.061 0.000 0.238 352 A C 0.997 178.718 177.584 0.229 0.000 1.074 352 A CA 1.048 53.181 52.037 0.161 0.000 0.774 352 A CB 0.355 19.415 19.000 0.099 0.000 1.015 352 A HN 2.103 nan 8.150 nan 0.000 0.498 353 A N 0.851 123.790 122.820 0.199 0.000 2.366 353 A HA 0.515 4.199 4.320 -1.061 0.000 0.272 353 A C -0.537 177.190 177.584 0.239 0.000 1.135 353 A CA -0.121 52.014 52.037 0.163 0.000 0.804 353 A CB -0.081 18.978 19.000 0.099 0.000 1.064 353 A HN 0.932 nan 8.150 nan 0.000 0.499 354 Y N 2.133 122.422 120.300 -0.020 0.000 2.360 354 Y HA 0.447 4.362 4.550 -1.059 0.000 0.337 354 Y C 1.307 177.157 175.900 -0.083 0.000 1.039 354 Y CA 0.537 58.545 58.100 -0.154 0.000 1.109 354 Y CB 1.893 40.042 38.460 -0.519 0.000 1.201 354 Y HN 0.842 nan 8.280 nan 0.000 0.458 355 T N 0.582 114.734 114.554 -0.670 0.000 3.330 355 T HA 0.339 4.052 4.350 -1.061 0.000 0.240 355 T C -0.330 173.738 174.700 -1.054 0.000 0.988 355 T CA 0.111 61.828 62.100 -0.638 0.000 1.253 355 T CB 0.108 68.718 68.868 -0.430 0.000 1.163 355 T HN 0.550 nan 8.240 nan 0.000 0.382 356 H N 0.442 119.112 119.070 -0.666 0.000 2.961 356 H HA 0.384 4.303 4.556 -1.061 0.000 0.371 356 H C 0.669 175.692 175.328 -0.508 0.000 1.190 356 H CA -0.095 55.638 56.048 -0.526 0.000 1.138 356 H CB 1.597 31.153 29.762 -0.344 0.000 1.816 356 H HN 0.649 nan 8.280 nan 0.000 0.551 357 H N 0.012 119.038 119.070 -0.073 0.000 2.489 357 H HA -0.114 3.806 4.556 -1.061 0.000 0.293 357 H C 0.462 175.809 175.328 0.031 0.000 1.066 357 H CA 1.844 57.932 56.048 0.067 0.000 1.305 357 H CB 0.058 29.842 29.762 0.037 0.000 1.386 357 H HN 0.483 nan 8.280 nan 0.000 0.551 358 D N 0.516 120.516 120.400 -0.667 0.000 2.339 358 D HA 0.199 4.203 4.640 -1.061 0.000 0.217 358 D C 0.939 177.058 176.300 -0.303 0.000 1.050 358 D CA 0.252 54.004 54.000 -0.415 0.000 0.856 358 D CB -0.234 40.241 40.800 -0.541 0.000 0.922 358 D HN 0.619 nan 8.370 nan 0.000 0.518 359 A N 0.422 123.019 122.820 -0.371 0.000 2.327 359 A HA 0.292 3.976 4.320 -1.061 0.000 0.255 359 A C 0.339 177.496 177.584 -0.711 0.000 1.099 359 A CA -0.517 51.185 52.037 -0.558 0.000 0.801 359 A CB 0.134 18.693 19.000 -0.736 0.000 1.062 359 A HN 0.162 nan 8.150 nan 0.000 0.496 360 N N -0.203 118.112 118.700 -0.641 0.000 2.414 360 N HA 0.293 4.396 4.740 -1.061 0.000 0.256 360 N C -0.735 174.393 175.510 -0.637 0.000 1.029 360 N CA 0.091 52.846 53.050 -0.491 0.000 0.948 360 N CB 0.231 38.545 38.487 -0.288 0.000 1.102 360 N HN 0.518 nan 8.380 nan 0.000 0.496 361 Y N 0.138 120.289 120.300 -0.249 0.000 2.442 361 Y HA 0.230 4.144 4.550 -1.059 0.000 0.250 361 Y C 0.061 175.736 175.900 -0.374 0.000 1.113 361 Y CA -0.565 57.286 58.100 -0.413 0.000 1.273 361 Y CB 0.049 38.044 38.460 -0.775 0.000 1.138 361 Y HN 0.382 nan 8.280 nan 0.000 0.522 362 D N 0.773 121.015 120.400 -0.263 0.000 2.836 362 D HA 0.068 4.072 4.640 -1.061 0.000 0.220 362 D C 1.576 177.556 176.300 -0.533 0.000 1.094 362 D CA 2.036 55.638 54.000 -0.663 0.000 0.820 362 D CB 0.339 40.295 40.800 -1.406 0.000 1.171 362 D HN 0.550 nan 8.370 nan 0.000 0.507 363 G N 1.668 110.243 108.800 -0.375 0.000 2.189 363 G HA2 -0.293 3.030 3.960 -1.061 0.000 0.267 363 G HA3 -0.293 3.030 3.960 -1.061 0.000 0.267 363 G C 0.130 175.065 174.900 0.058 0.000 0.975 363 G CA 0.154 45.239 45.100 -0.026 0.000 0.644 363 G HN 0.492 nan 8.290 nan 0.000 0.537 364 Q N 0.279 120.145 119.800 0.110 0.000 2.241 364 Q HA 0.573 4.277 4.340 -1.061 0.000 0.254 364 Q C 0.838 176.952 176.000 0.190 0.000 0.917 364 Q CA 0.452 56.335 55.803 0.133 0.000 0.919 364 Q CB 1.235 30.030 28.738 0.095 0.000 1.237 364 Q HN 1.668 nan 8.270 nan 0.000 0.434 365 G N 0.544 109.420 108.800 0.127 0.000 2.877 365 G HA2 -0.219 3.104 3.960 -1.061 0.000 0.279 365 G HA3 -0.219 3.104 3.960 -1.061 0.000 0.279 365 G C -0.584 174.384 174.900 0.112 0.000 1.431 365 G CA -0.564 44.614 45.100 0.130 0.000 0.883 365 G HN 0.451 nan 8.290 nan 0.000 0.547 366 V N 1.067 121.077 119.914 0.159 0.000 2.427 366 V HA 0.304 3.787 4.120 -1.061 0.000 0.268 366 V C 0.579 176.709 176.094 0.059 0.000 1.046 366 V CA 0.353 62.717 62.300 0.107 0.000 0.970 366 V CB 1.475 33.361 31.823 0.105 0.000 1.001 366 V HN 0.752 nan 8.190 nan 0.000 0.476 367 D N 4.387 124.780 120.400 -0.012 0.000 2.508 367 D HA 0.124 4.127 4.640 -1.061 0.000 0.224 367 D C 1.263 177.550 176.300 -0.021 0.000 1.171 367 D CA 0.136 54.095 54.000 -0.068 0.000 1.006 367 D CB 0.784 41.528 40.800 -0.093 0.000 1.073 367 D HN 0.617 nan 8.370 nan 0.000 0.513 368 Q N 2.201 122.011 119.800 0.017 0.000 2.096 368 Q HA -0.165 3.538 4.340 -1.061 0.000 0.204 368 Q C 1.753 177.722 176.000 -0.053 0.000 0.982 368 Q CA 0.925 56.737 55.803 0.015 0.000 0.850 368 Q CB 0.228 29.022 28.738 0.092 0.000 0.901 368 Q HN 0.554 nan 8.270 nan 0.000 0.422 369 I N 1.308 121.802 120.570 -0.126 0.000 2.163 369 I HA -0.289 3.244 4.170 -1.061 0.000 0.243 369 I C 2.314 178.358 176.117 -0.123 0.000 1.085 369 I CA 1.617 62.790 61.300 -0.211 0.000 1.347 369 I CB -1.035 36.847 38.000 -0.196 0.000 1.044 369 I HN 0.256 nan 8.210 nan 0.000 0.408 370 K N 0.990 121.348 120.400 -0.070 0.000 2.148 370 K HA -0.107 3.576 4.320 -1.061 0.000 0.204 370 K C 2.130 178.709 176.600 -0.035 0.000 1.050 370 K CA 1.343 57.606 56.287 -0.040 0.000 0.942 370 K CB 0.072 32.565 32.500 -0.012 0.000 0.724 370 K HN 0.252 nan 8.250 nan 0.000 0.446 371 A N 1.027 123.829 122.820 -0.029 0.000 1.930 371 A HA -0.023 3.661 4.320 -1.061 0.000 0.215 371 A C 1.991 179.562 177.584 -0.022 0.000 1.176 371 A CA 0.892 52.919 52.037 -0.016 0.000 0.632 371 A CB -0.366 18.633 19.000 -0.003 0.000 0.819 371 A HN 0.301 nan 8.150 nan 0.000 0.445 372 I N -0.435 120.119 120.570 -0.027 0.000 2.286 372 I HA -0.202 3.332 4.170 -1.061 0.000 0.248 372 I C 2.273 178.330 176.117 -0.101 0.000 1.115 372 I CA 0.873 62.159 61.300 -0.023 0.000 1.392 372 I CB -0.171 37.848 38.000 0.033 0.000 1.065 372 I HN 0.140 nan 8.210 nan 0.000 0.418 373 V N 0.586 120.426 119.914 -0.124 0.000 2.407 373 V HA -0.222 3.261 4.120 -1.061 0.000 0.248 373 V C 2.421 178.463 176.094 -0.086 0.000 1.055 373 V CA 1.677 63.897 62.300 -0.132 0.000 1.049 373 V CB -0.518 31.241 31.823 -0.107 0.000 0.662 373 V HN 0.405 nan 8.190 nan 0.000 0.455 374 E N -0.334 119.833 120.200 -0.056 0.000 2.158 374 E HA -0.100 3.613 4.350 -1.061 0.000 0.191 374 E C 2.285 178.864 176.600 -0.036 0.000 0.982 374 E CA 1.402 57.779 56.400 -0.039 0.000 0.823 374 E CB -0.550 29.136 29.700 -0.023 0.000 0.766 374 E HN 0.559 nan 8.360 nan 0.000 0.468 375 T N 1.793 116.327 114.554 -0.033 0.000 2.904 375 T HA 0.008 3.722 4.350 -1.061 0.000 0.267 375 T C 2.097 176.775 174.700 -0.036 0.000 1.059 375 T CA 0.465 62.551 62.100 -0.024 0.000 1.137 375 T CB -0.110 68.755 68.868 -0.005 0.000 0.879 375 T HN 0.061 nan 8.240 nan 0.000 0.467 376 L N 0.462 121.651 121.223 -0.056 0.000 2.131 376 L HA -0.027 3.677 4.340 -1.061 0.000 0.210 376 L C 2.172 179.002 176.870 -0.066 0.000 1.092 376 L CA 1.230 56.026 54.840 -0.072 0.000 0.759 376 L CB -0.355 41.633 42.059 -0.119 0.000 0.903 376 L HN 0.178 nan 8.230 nan 0.000 0.435 377 K N -1.070 119.294 120.400 -0.060 0.000 2.417 377 K HA 0.040 3.724 4.320 -1.061 0.000 0.196 377 K C 1.344 177.920 176.600 -0.039 0.000 1.023 377 K CA 0.933 57.189 56.287 -0.051 0.000 1.122 377 K CB 0.261 32.731 32.500 -0.049 0.000 0.850 377 K HN 0.408 nan 8.250 nan 0.000 0.521 378 T N -3.633 110.899 114.554 -0.036 0.000 3.154 378 T HA 0.043 3.757 4.350 -1.061 0.000 0.258 378 T C 0.276 174.960 174.700 -0.027 0.000 0.899 378 T CA -0.276 61.807 62.100 -0.028 0.000 0.908 378 T CB 0.097 68.951 68.868 -0.022 0.000 1.260 378 T HN -0.007 nan 8.240 nan 0.000 0.521 379 N N 2.067 120.750 118.700 -0.029 0.000 2.651 379 N HA 0.364 4.468 4.740 -1.061 0.000 0.277 379 N C -2.246 173.243 175.510 -0.036 0.000 1.787 379 N CA -1.785 51.249 53.050 -0.028 0.000 0.818 379 N CB 1.434 39.910 38.487 -0.018 0.000 1.316 379 N HN 0.065 nan 8.380 nan 0.000 0.503 380 P HA -0.107 nan 4.420 nan 0.000 0.221 380 P C -0.149 177.091 177.300 -0.100 0.000 1.141 380 P CA 1.148 64.204 63.100 -0.073 0.000 0.794 380 P CB 0.426 32.076 31.700 -0.084 0.000 0.764 381 D N -0.844 119.507 120.400 -0.082 0.000 2.349 381 D HA -0.007 3.996 4.640 -1.061 0.000 0.214 381 D C 0.601 176.880 176.300 -0.034 0.000 1.063 381 D CA 0.110 54.057 54.000 -0.088 0.000 0.847 381 D CB -0.365 40.396 40.800 -0.066 0.000 0.933 381 D HN 0.263 nan 8.370 nan 0.000 0.513 382 D N 1.245 121.635 120.400 -0.017 0.000 2.487 382 D HA -0.060 3.944 4.640 -1.061 0.000 0.243 382 D C 0.462 176.781 176.300 0.031 0.000 1.154 382 D CA 0.138 54.142 54.000 0.008 0.000 0.876 382 D CB 0.742 41.548 40.800 0.010 0.000 1.161 382 D HN -0.000 nan 8.370 nan 0.000 0.478 383 R N 3.056 123.580 120.500 0.040 0.000 2.555 383 R HA 0.127 3.830 4.340 -1.061 0.000 0.272 383 R C 0.521 176.852 176.300 0.051 0.000 1.089 383 R CA 0.038 56.175 56.100 0.061 0.000 1.126 383 R CB 0.424 30.760 30.300 0.060 0.000 1.250 383 R HN 0.304 nan 8.270 nan 0.000 0.551 384 R N 0.001 120.530 120.500 0.047 0.000 2.629 384 R HA 0.256 3.959 4.340 -1.061 0.000 0.408 384 R C -0.163 176.172 176.300 0.059 0.000 1.057 384 R CA -0.164 55.959 56.100 0.038 0.000 1.119 384 R CB 0.648 30.961 30.300 0.021 0.000 1.403 384 R HN 0.033 nan 8.270 nan 0.000 0.576 385 M N 2.918 122.577 119.600 0.097 0.000 3.213 385 M HA 0.269 4.113 4.480 -1.061 0.000 0.275 385 M C -0.753 175.669 176.300 0.203 0.000 1.424 385 M CA 0.207 55.606 55.300 0.165 0.000 1.561 385 M CB -0.190 32.541 32.600 0.217 0.000 1.109 385 M HN 0.105 nan 8.290 nan 0.000 0.552 386 L N -0.209 121.102 121.223 0.147 0.000 2.466 386 L HA 0.869 4.573 4.340 -1.061 0.000 0.258 386 L C -1.033 175.939 176.870 0.170 0.000 0.973 386 L CA -1.208 53.695 54.840 0.106 0.000 0.826 386 L CB 1.545 43.580 42.059 -0.040 0.000 1.372 386 L HN 0.292 nan 8.230 nan 0.000 0.409 387 F N -0.897 119.000 119.950 -0.089 0.000 2.538 387 F HA 0.946 4.841 4.527 -1.055 0.000 0.325 387 F C -0.127 175.664 175.800 -0.015 0.000 1.066 387 F CA -1.006 56.944 58.000 -0.083 0.000 0.946 387 F CB 1.763 40.647 39.000 -0.193 0.000 1.199 387 F HN 0.671 nan 8.300 nan 0.000 0.473 388 T N 0.312 114.975 114.554 0.181 0.000 2.909 388 T HA 0.683 4.397 4.350 -1.061 0.000 0.299 388 T C -0.280 174.730 174.700 0.517 0.000 1.073 388 T CA -0.044 62.203 62.100 0.244 0.000 0.999 388 T CB 1.524 70.514 68.868 0.203 0.000 1.098 388 T HN 1.147 nan 8.240 nan 0.000 0.477 389 A N 3.241 126.367 122.820 0.511 0.000 2.470 389 A HA 0.294 3.977 4.320 -1.061 0.000 0.251 389 A C 0.342 178.085 177.584 0.264 0.000 1.245 389 A CA -0.567 51.722 52.037 0.421 0.000 0.932 389 A CB 0.102 19.291 19.000 0.316 0.000 1.037 389 A HN 0.796 nan 8.150 nan 0.000 0.522 390 W N 2.220 123.632 121.300 0.186 0.000 2.365 390 W HA 0.353 4.391 4.660 -1.037 0.000 0.371 390 W C -0.958 175.661 176.519 0.168 0.000 1.006 390 W CA -0.539 56.876 57.345 0.116 0.000 1.528 390 W CB 0.280 29.795 29.460 0.092 0.000 1.497 390 W HN 0.255 nan 8.180 nan 0.000 0.367 391 N N 6.966 125.554 118.700 -0.188 0.000 2.626 391 N HA 0.245 4.349 4.740 -1.061 0.000 0.242 391 N C -1.921 173.401 175.510 -0.314 0.000 1.005 391 N CA -2.173 50.782 53.050 -0.158 0.000 0.905 391 N CB 1.655 39.891 38.487 -0.418 0.000 1.128 391 N HN 0.052 nan 8.380 nan 0.000 0.512 392 P HA -0.076 nan 4.420 nan 0.000 0.220 392 P C 0.816 178.033 177.300 -0.138 0.000 1.144 392 P CA 1.091 64.083 63.100 -0.179 0.000 0.800 392 P CB 0.513 32.224 31.700 0.019 0.000 0.772 393 S N -0.571 115.063 115.700 -0.111 0.000 2.357 393 S HA -0.039 3.794 4.470 -1.061 0.000 0.221 393 S C 2.023 176.542 174.600 -0.135 0.000 1.031 393 S CA 1.251 59.395 58.200 -0.093 0.000 0.982 393 S CB -0.869 62.293 63.200 -0.063 0.000 0.853 393 S HN 0.156 nan 8.310 nan 0.000 0.458 394 A N 0.929 123.632 122.820 -0.195 0.000 2.123 394 A HA 0.181 3.865 4.320 -1.061 0.000 0.214 394 A C 1.897 179.346 177.584 -0.225 0.000 1.152 394 A CA 0.380 52.294 52.037 -0.204 0.000 0.728 394 A CB -0.487 18.366 19.000 -0.246 0.000 0.814 394 A HN 0.325 nan 8.150 nan 0.000 0.464 395 L N 0.383 121.440 121.223 -0.277 0.000 2.010 395 L HA -0.166 3.537 4.340 -1.061 0.000 0.219 395 L C -0.595 176.154 176.870 -0.201 0.000 1.077 395 L CA 2.647 57.304 54.840 -0.306 0.000 0.773 395 L CB -1.334 40.477 42.059 -0.413 0.000 0.892 395 L HN 0.212 nan 8.230 nan 0.000 0.436 396 P HA -0.111 nan 4.420 nan 0.000 0.220 396 P C 1.175 178.406 177.300 -0.114 0.000 1.148 396 P CA 1.024 64.052 63.100 -0.119 0.000 0.803 396 P CB -0.021 31.619 31.700 -0.100 0.000 0.782 397 R N -1.477 118.955 120.500 -0.113 0.000 2.276 397 R HA 0.165 3.868 4.340 -1.061 0.000 0.203 397 R C 1.032 177.319 176.300 -0.022 0.000 1.017 397 R CA 0.435 56.492 56.100 -0.072 0.000 1.010 397 R CB -0.707 29.555 30.300 -0.063 0.000 0.900 397 R HN 0.367 nan 8.270 nan 0.000 0.469 398 M N -0.757 118.789 119.600 -0.090 0.000 2.288 398 M HA 0.228 4.072 4.480 -1.061 0.000 0.334 398 M C 1.444 177.765 176.300 0.034 0.000 1.150 398 M CA -0.252 55.001 55.300 -0.079 0.000 1.118 398 M CB 1.505 34.014 32.600 -0.152 0.000 1.501 398 M HN -0.040 nan 8.290 nan 0.000 0.462 399 A N 3.141 126.034 122.820 0.122 0.000 1.940 399 A HA 0.054 3.737 4.320 -1.061 0.000 0.219 399 A C 0.626 178.400 177.584 0.316 0.000 1.176 399 A CA 1.463 53.666 52.037 0.276 0.000 0.631 399 A CB -0.422 18.849 19.000 0.451 0.000 0.814 399 A HN 0.805 nan 8.150 nan 0.000 0.446 400 L N -6.298 115.071 121.223 0.244 0.000 2.845 400 L HA 0.537 4.241 4.340 -1.061 0.000 0.256 400 L C -3.442 173.476 176.870 0.079 0.000 0.968 400 L CA -2.039 52.923 54.840 0.204 0.000 0.944 400 L CB 1.101 43.361 42.059 0.335 0.000 1.494 400 L HN -0.232 nan 8.230 nan 0.000 0.419 401 P HA 0.244 nan 4.420 nan 0.000 0.268 401 P C -2.544 174.763 177.300 0.012 0.000 1.205 401 P CA -0.579 62.475 63.100 -0.076 0.000 0.771 401 P CB -0.041 31.646 31.700 -0.022 0.000 0.858 402 P HA 0.022 nan 4.420 nan 0.000 0.271 402 P C 0.027 177.442 177.300 0.190 0.000 1.216 402 P CA -0.007 62.898 63.100 -0.324 0.000 0.776 402 P CB 0.782 32.059 31.700 -0.705 0.000 0.881 403 C N 1.325 120.840 119.300 0.359 0.000 2.544 403 C HA -0.017 3.806 4.460 -1.061 0.000 0.280 403 C C 1.368 176.602 174.990 0.408 0.000 1.295 403 C CA 0.733 59.980 59.018 0.382 0.000 1.702 403 C CB -1.799 26.183 27.740 0.403 0.000 2.090 403 C HN 0.716 nan 8.230 nan 0.000 0.493 404 H N 0.989 120.391 119.070 0.554 0.000 2.872 404 H HA 0.489 4.407 4.556 -1.062 0.000 0.273 404 H C 0.242 175.918 175.328 0.580 0.000 1.205 404 H CA -0.541 55.783 56.048 0.460 0.000 1.342 404 H CB -0.035 30.033 29.762 0.511 0.000 1.469 404 H HN 0.374 nan 8.280 nan 0.000 0.487 405 L N 1.437 122.894 121.223 0.390 0.000 2.766 405 L HA 0.457 4.160 4.340 -1.061 0.000 0.242 405 L C -0.443 176.567 176.870 0.235 0.000 1.136 405 L CA -0.224 54.833 54.840 0.361 0.000 0.933 405 L CB 0.407 42.723 42.059 0.428 0.000 1.241 405 L HN 0.511 nan 8.230 nan 0.000 0.522 406 L N 0.589 121.874 121.223 0.103 0.000 2.505 406 L HA 0.960 4.663 4.340 -1.061 0.000 0.259 406 L C -1.605 175.055 176.870 -0.350 0.000 0.952 406 L CA -0.282 54.480 54.840 -0.130 0.000 0.840 406 L CB 2.057 44.077 42.059 -0.065 0.000 1.358 406 L HN 0.050 nan 8.230 nan 0.000 0.409 407 A N 3.836 126.264 122.820 -0.653 0.000 2.517 407 A HA 0.700 4.383 4.320 -1.061 0.000 0.297 407 A C -1.728 175.503 177.584 -0.588 0.000 1.050 407 A CA -0.459 51.161 52.037 -0.695 0.000 0.694 407 A CB 1.871 20.336 19.000 -0.892 0.000 1.277 407 A HN 0.716 nan 8.150 nan 0.000 0.400 408 Q N 1.134 120.648 119.800 -0.476 0.000 2.375 408 Q HA 0.745 4.449 4.340 -1.061 0.000 0.271 408 Q C -1.896 173.854 176.000 -0.417 0.000 1.074 408 Q CA -0.562 55.033 55.803 -0.346 0.000 0.808 408 Q CB 1.615 30.269 28.738 -0.141 0.000 1.327 408 Q HN 0.644 nan 8.270 nan 0.000 0.441 409 F N 2.085 122.110 119.950 0.123 0.000 2.443 409 F HA 0.452 4.346 4.527 -1.056 0.000 0.335 409 F C -0.711 175.187 175.800 0.162 0.000 1.104 409 F CA -0.758 57.321 58.000 0.133 0.000 1.013 409 F CB 1.284 40.344 39.000 0.100 0.000 1.136 409 F HN 0.491 nan 8.300 nan 0.000 0.470 410 Y N 2.196 122.629 120.300 0.223 0.000 2.462 410 Y HA 0.750 4.664 4.550 -1.060 0.000 0.346 410 Y C -1.576 174.390 175.900 0.111 0.000 0.976 410 Y CA -0.992 57.183 58.100 0.124 0.000 1.044 410 Y CB 1.726 40.232 38.460 0.076 0.000 1.230 410 Y HN 0.329 nan 8.280 nan 0.000 0.455 411 V N 4.802 124.376 119.914 -0.567 0.000 2.588 411 V HA 0.670 4.153 4.120 -1.061 0.000 0.304 411 V C -1.134 174.652 176.094 -0.514 0.000 1.042 411 V CA -0.473 61.611 62.300 -0.360 0.000 0.877 411 V CB 1.641 33.336 31.823 -0.213 0.000 0.996 411 V HN 0.793 nan 8.190 nan 0.000 0.425 412 S N 3.220 118.811 115.700 -0.182 0.000 2.562 412 S HA 0.467 4.300 4.470 -1.061 0.000 0.274 412 S C -0.347 174.253 174.600 -0.001 0.000 1.160 412 S CA -0.786 57.376 58.200 -0.064 0.000 0.933 412 S CB 1.543 64.821 63.200 0.130 0.000 1.100 412 S HN 0.799 nan 8.310 nan 0.000 0.468 413 N N 1.690 120.387 118.700 -0.005 0.000 2.714 413 N HA -0.199 3.905 4.740 -1.061 0.000 0.252 413 N C 1.047 176.558 175.510 0.001 0.000 1.014 413 N CA 1.392 54.445 53.050 0.005 0.000 0.735 413 N CB -1.667 36.834 38.487 0.024 0.000 0.924 413 N HN 2.070 nan 8.380 nan 0.000 0.540 414 G N -0.629 108.161 108.800 -0.016 0.000 2.212 414 G HA2 -0.341 2.982 3.960 -1.061 0.000 0.267 414 G HA3 -0.341 2.982 3.960 -1.061 0.000 0.267 414 G C -0.182 174.715 174.900 -0.005 0.000 1.002 414 G CA 0.940 46.030 45.100 -0.017 0.000 0.729 414 G HN 0.661 nan 8.290 nan 0.000 0.517 415 E N -0.569 119.636 120.200 0.009 0.000 2.133 415 E HA 0.485 4.198 4.350 -1.061 0.000 0.274 415 E C -0.278 176.353 176.600 0.052 0.000 0.930 415 E CA -1.055 55.366 56.400 0.035 0.000 0.770 415 E CB 1.858 31.592 29.700 0.057 0.000 1.104 415 E HN 0.156 nan 8.360 nan 0.000 0.403 416 L N 2.849 124.103 121.223 0.053 0.000 2.369 416 L HA 0.193 3.897 4.340 -1.061 0.000 0.279 416 L C -0.618 176.356 176.870 0.173 0.000 1.108 416 L CA 0.462 55.353 54.840 0.084 0.000 0.852 416 L CB 0.745 42.818 42.059 0.023 0.000 1.169 416 L HN 0.300 nan 8.230 nan 0.000 0.452 417 S N 3.940 119.793 115.700 0.254 0.000 2.578 417 S HA 0.654 4.487 4.470 -1.061 0.000 0.301 417 S C -1.132 173.673 174.600 0.340 0.000 1.091 417 S CA -0.592 57.771 58.200 0.272 0.000 1.032 417 S CB 1.449 64.815 63.200 0.277 0.000 1.064 417 S HN 0.829 nan 8.310 nan 0.000 0.508 418 C N 4.250 123.690 119.300 0.233 0.000 2.535 418 C HA 0.779 4.602 4.460 -1.061 0.000 0.319 418 C C -0.630 174.354 174.990 -0.009 0.000 1.171 418 C CA -0.721 58.357 59.018 0.100 0.000 1.394 418 C CB 0.528 28.386 27.740 0.197 0.000 1.990 418 C HN 0.945 nan 8.230 nan 0.000 0.466 419 M N 6.190 125.719 119.600 -0.119 0.000 2.336 419 M HA 0.775 4.618 4.480 -1.061 0.000 0.342 419 M C -1.344 174.832 176.300 -0.207 0.000 1.128 419 M CA -0.363 54.870 55.300 -0.112 0.000 1.016 419 M CB 1.388 33.933 32.600 -0.090 0.000 1.665 419 M HN 0.705 nan 8.290 nan 0.000 0.445 420 L N 5.406 126.517 121.223 -0.186 0.000 2.346 420 L HA 0.565 4.268 4.340 -1.061 0.000 0.274 420 L C -2.180 174.630 176.870 -0.099 0.000 1.007 420 L CA -0.352 54.303 54.840 -0.310 0.000 0.818 420 L CB 1.780 43.513 42.059 -0.544 0.000 1.284 420 L HN 0.760 nan 8.230 nan 0.000 0.424 421 Y N 3.756 123.948 120.300 -0.179 0.000 2.555 421 Y HA 0.448 4.345 4.550 -1.088 0.000 0.326 421 Y C -0.573 175.327 175.900 -0.000 0.000 0.984 421 Y CA -0.320 57.732 58.100 -0.081 0.000 1.298 421 Y CB 0.845 39.238 38.460 -0.112 0.000 1.094 421 Y HN 0.702 nan 8.280 nan 0.000 0.500 422 Q N 6.123 125.707 119.800 -0.360 0.000 2.398 422 Q HA 0.233 3.936 4.340 -1.061 0.000 0.251 422 Q C 1.180 177.009 176.000 -0.285 0.000 0.999 422 Q CA -0.511 55.225 55.803 -0.112 0.000 0.874 422 Q CB 0.817 29.628 28.738 0.122 0.000 1.215 422 Q HN 0.955 nan 8.270 nan 0.000 0.470 423 R N 1.471 121.938 120.500 -0.054 0.000 2.081 423 R HA -0.005 3.699 4.340 -1.061 0.000 0.235 423 R C 0.415 176.776 176.300 0.102 0.000 1.131 423 R CA 0.982 57.117 56.100 0.058 0.000 0.960 423 R CB 0.090 30.489 30.300 0.164 0.000 0.856 423 R HN 0.304 nan 8.270 nan 0.000 0.436 424 S N -0.507 115.283 115.700 0.149 0.000 2.532 424 S HA 0.526 4.359 4.470 -1.061 0.000 0.299 424 S C -1.448 173.252 174.600 0.168 0.000 1.105 424 S CA -0.870 57.460 58.200 0.216 0.000 1.018 424 S CB 1.663 65.022 63.200 0.265 0.000 1.021 424 S HN 0.385 nan 8.310 nan 0.000 0.483 425 C N 3.651 122.981 119.300 0.050 0.000 2.442 425 C HA 0.471 4.295 4.460 -1.061 0.000 0.335 425 C C -0.579 174.128 174.990 -0.472 0.000 1.134 425 C CA -1.190 57.771 59.018 -0.095 0.000 1.344 425 C CB 0.322 28.014 27.740 -0.081 0.000 1.956 425 C HN 0.924 nan 8.230 nan 0.000 0.438 426 D N 3.316 123.551 120.400 -0.275 0.000 2.339 426 D HA 0.263 4.266 4.640 -1.061 0.000 0.241 426 D C 1.234 177.505 176.300 -0.047 0.000 1.183 426 D CA -0.282 53.553 54.000 -0.276 0.000 0.859 426 D CB 0.697 41.561 40.800 0.108 0.000 1.067 426 D HN 0.358 nan 8.370 nan 0.000 0.484 427 M N 2.886 122.438 119.600 -0.079 0.000 2.117 427 M HA 0.002 3.846 4.480 -1.061 0.000 0.262 427 M C 2.052 178.499 176.300 0.245 0.000 1.065 427 M CA 1.263 56.616 55.300 0.087 0.000 1.114 427 M CB -1.418 31.163 32.600 -0.032 0.000 1.361 427 M HN 0.562 nan 8.290 nan 0.000 0.408 428 G N 0.099 109.043 108.800 0.242 0.000 2.587 428 G HA2 -0.204 3.120 3.960 -1.061 0.000 0.217 428 G HA3 -0.204 3.120 3.960 -1.061 0.000 0.217 428 G C 1.531 176.572 174.900 0.235 0.000 1.240 428 G CA 1.049 46.313 45.100 0.273 0.000 0.794 428 G HN 0.407 nan 8.290 nan 0.000 0.580 429 L N -0.165 121.203 121.223 0.241 0.000 2.609 429 L HA 0.418 4.121 4.340 -1.061 0.000 0.230 429 L C 2.714 179.700 176.870 0.193 0.000 1.064 429 L CA 1.244 56.199 54.840 0.191 0.000 0.873 429 L CB 0.104 42.252 42.059 0.148 0.000 1.139 429 L HN 0.242 nan 8.230 nan 0.000 0.490 430 G N -0.850 108.060 108.800 0.184 0.000 2.404 430 G HA2 -0.139 3.184 3.960 -1.061 0.000 0.214 430 G HA3 -0.139 3.184 3.960 -1.061 0.000 0.214 430 G C 1.445 176.481 174.900 0.227 0.000 1.189 430 G CA 0.970 46.171 45.100 0.169 0.000 0.789 430 G HN 0.154 nan 8.290 nan 0.000 0.533 431 V N 2.129 122.178 119.914 0.225 0.000 2.287 431 V HA -0.130 3.354 4.120 -1.061 0.000 0.248 431 V C 0.331 176.533 176.094 0.180 0.000 1.053 431 V CA 2.338 64.797 62.300 0.265 0.000 1.027 431 V CB -1.092 30.922 31.823 0.319 0.000 0.646 431 V HN 0.289 nan 8.190 nan 0.000 0.447 432 P HA -0.157 nan 4.420 nan 0.000 0.216 432 P C 1.713 179.021 177.300 0.014 0.000 1.153 432 P CA 1.397 64.468 63.100 -0.048 0.000 0.848 432 P CB -0.104 31.567 31.700 -0.049 0.000 0.787 433 F N 0.835 120.783 119.950 -0.002 0.000 2.069 433 F HA -0.214 3.676 4.527 -1.062 0.000 0.298 433 F C 1.946 177.728 175.800 -0.030 0.000 1.113 433 F CA 1.628 59.627 58.000 -0.002 0.000 1.214 433 F CB -0.659 38.359 39.000 0.030 0.000 0.978 433 F HN -0.141 nan 8.300 nan 0.000 0.474 434 N N 0.793 119.655 118.700 0.271 0.000 2.205 434 N HA -0.193 3.911 4.740 -1.061 0.000 0.186 434 N C 1.997 177.500 175.510 -0.012 0.000 1.015 434 N CA 1.799 54.939 53.050 0.150 0.000 0.862 434 N CB -0.450 38.142 38.487 0.175 0.000 0.986 434 N HN 0.403 nan 8.380 nan 0.000 0.429 435 I N 0.974 121.469 120.570 -0.126 0.000 2.315 435 I HA -0.168 3.365 4.170 -1.061 0.000 0.248 435 I C 2.378 178.343 176.117 -0.253 0.000 1.117 435 I CA 0.700 61.821 61.300 -0.299 0.000 1.404 435 I CB -0.249 37.435 38.000 -0.526 0.000 1.071 435 I HN 0.046 nan 8.210 nan 0.000 0.419 436 A N 0.116 122.803 122.820 -0.222 0.000 1.873 436 A HA -0.156 3.527 4.320 -1.061 0.000 0.215 436 A C 2.498 180.017 177.584 -0.107 0.000 1.186 436 A CA 1.896 53.843 52.037 -0.150 0.000 0.616 436 A CB -0.698 18.216 19.000 -0.143 0.000 0.823 436 A HN 0.323 nan 8.150 nan 0.000 0.442 437 S N -1.278 114.302 115.700 -0.200 0.000 2.351 437 S HA -0.193 3.641 4.470 -1.061 0.000 0.220 437 S C 1.848 176.360 174.600 -0.146 0.000 1.035 437 S CA 1.858 59.936 58.200 -0.203 0.000 1.031 437 S CB -0.580 62.519 63.200 -0.167 0.000 0.928 437 S HN 0.654 nan 8.310 nan 0.000 0.433 438 Y N 1.390 121.664 120.300 -0.044 0.000 2.373 438 Y HA 0.021 3.937 4.550 -1.057 0.000 0.293 438 Y C 2.467 178.389 175.900 0.035 0.000 1.129 438 Y CA 0.538 58.650 58.100 0.019 0.000 1.226 438 Y CB -0.524 37.906 38.460 -0.050 0.000 1.000 438 Y HN 0.277 nan 8.280 nan 0.000 0.549 439 A N -0.050 122.824 122.820 0.090 0.000 1.902 439 A HA -0.172 3.511 4.320 -1.061 0.000 0.217 439 A C 2.253 179.894 177.584 0.094 0.000 1.181 439 A CA 1.369 53.441 52.037 0.059 0.000 0.623 439 A CB -0.977 17.992 19.000 -0.051 0.000 0.818 439 A HN 0.499 nan 8.150 nan 0.000 0.443 440 L N -1.020 120.261 121.223 0.097 0.000 2.017 440 L HA -0.168 3.535 4.340 -1.061 0.000 0.208 440 L C 2.535 179.465 176.870 0.100 0.000 1.073 440 L CA 1.682 56.600 54.840 0.129 0.000 0.745 440 L CB -0.287 41.804 42.059 0.052 0.000 0.894 440 L HN 0.480 nan 8.230 nan 0.000 0.432 441 L N -0.438 120.832 121.223 0.079 0.000 2.042 441 L HA -0.217 3.486 4.340 -1.061 0.000 0.210 441 L C 2.390 179.347 176.870 0.145 0.000 1.076 441 L CA 2.319 57.222 54.840 0.105 0.000 0.749 441 L CB -0.878 41.244 42.059 0.105 0.000 0.893 441 L HN 0.192 nan 8.230 nan 0.000 0.432 442 T N -0.144 114.538 114.554 0.213 0.000 2.788 442 T HA -0.128 3.586 4.350 -1.061 0.000 0.268 442 T C 1.987 176.742 174.700 0.091 0.000 1.044 442 T CA 1.861 64.094 62.100 0.222 0.000 1.139 442 T CB -0.302 68.724 68.868 0.262 0.000 0.867 442 T HN 0.323 nan 8.240 nan 0.000 0.454 443 I N 0.633 121.257 120.570 0.090 0.000 2.133 443 I HA -0.120 3.414 4.170 -1.061 0.000 0.238 443 I C 2.332 178.439 176.117 -0.017 0.000 1.074 443 I CA 1.246 62.586 61.300 0.066 0.000 1.342 443 I CB -0.428 37.658 38.000 0.144 0.000 1.053 443 I HN 0.168 nan 8.210 nan 0.000 0.404 444 L N 0.302 121.508 121.223 -0.028 0.000 2.042 444 L HA -0.247 3.456 4.340 -1.061 0.000 0.210 444 L C 2.517 179.285 176.870 -0.170 0.000 1.076 444 L CA 1.147 55.886 54.840 -0.168 0.000 0.749 444 L CB -0.439 41.544 42.059 -0.127 0.000 0.893 444 L HN 0.270 nan 8.230 nan 0.000 0.432 445 I N -0.143 120.348 120.570 -0.131 0.000 2.315 445 I HA -0.197 3.336 4.170 -1.061 0.000 0.248 445 I C 2.798 178.791 176.117 -0.206 0.000 1.117 445 I CA 1.402 62.576 61.300 -0.210 0.000 1.404 445 I CB -1.505 36.283 38.000 -0.353 0.000 1.071 445 I HN 0.170 nan 8.210 nan 0.000 0.419 446 A N 1.294 124.025 122.820 -0.148 0.000 1.865 446 A HA -0.233 3.451 4.320 -1.061 0.000 0.217 446 A C 2.313 179.828 177.584 -0.116 0.000 1.191 446 A CA 1.722 53.691 52.037 -0.113 0.000 0.623 446 A CB -0.593 18.376 19.000 -0.051 0.000 0.826 446 A HN 0.357 nan 8.150 nan 0.000 0.444 447 K N -0.248 120.069 120.400 -0.138 0.000 2.211 447 K HA -0.040 3.644 4.320 -1.061 0.000 0.204 447 K C 1.891 178.410 176.600 -0.135 0.000 1.047 447 K CA 1.071 57.263 56.287 -0.158 0.000 0.935 447 K CB -0.263 32.073 32.500 -0.275 0.000 0.728 447 K HN 0.461 nan 8.250 nan 0.000 0.452 448 A N 0.835 123.573 122.820 -0.137 0.000 2.178 448 A HA -0.033 3.651 4.320 -1.061 0.000 0.211 448 A C 1.830 179.356 177.584 -0.097 0.000 1.157 448 A CA 1.190 53.165 52.037 -0.102 0.000 0.780 448 A CB -0.176 18.766 19.000 -0.096 0.000 0.828 448 A HN 0.371 nan 8.150 nan 0.000 0.476 449 T N -5.664 108.823 114.554 -0.111 0.000 3.040 449 T HA 0.435 4.148 4.350 -1.061 0.000 0.266 449 T C 1.098 175.750 174.700 -0.080 0.000 1.005 449 T CA 0.962 63.001 62.100 -0.101 0.000 0.906 449 T CB 0.199 68.988 68.868 -0.132 0.000 1.082 449 T HN 1.593 nan 8.240 nan 0.000 0.531 450 G N 1.375 110.130 108.800 -0.074 0.000 2.182 450 G HA2 -0.163 3.160 3.960 -1.061 0.000 0.248 450 G HA3 -0.163 3.160 3.960 -1.061 0.000 0.248 450 G C -0.276 174.594 174.900 -0.051 0.000 1.042 450 G CA 0.236 45.301 45.100 -0.057 0.000 0.775 450 G HN 0.647 nan 8.290 nan 0.000 0.501 451 L N -1.522 119.667 121.223 -0.057 0.000 2.301 451 L HA 0.763 4.466 4.340 -1.061 0.000 0.264 451 L C 0.717 177.571 176.870 -0.027 0.000 1.016 451 L CA -1.431 53.383 54.840 -0.042 0.000 0.821 451 L CB 1.668 43.696 42.059 -0.052 0.000 1.346 451 L HN 0.080 nan 8.230 nan 0.000 0.429 452 R N 0.893 121.389 120.500 -0.007 0.000 2.368 452 R HA 0.385 4.088 4.340 -1.061 0.000 0.302 452 R C -2.475 173.840 176.300 0.026 0.000 1.002 452 R CA -1.570 54.536 56.100 0.011 0.000 0.929 452 R CB 1.010 31.322 30.300 0.019 0.000 1.073 452 R HN 0.222 nan 8.270 nan 0.000 0.464 453 P HA -0.019 nan 4.420 nan 0.000 0.265 453 P C -0.239 177.101 177.300 0.068 0.000 1.193 453 P CA 0.344 63.479 63.100 0.058 0.000 0.765 453 P CB 1.133 32.871 31.700 0.062 0.000 0.823 454 G N 2.459 111.313 108.800 0.090 0.000 2.583 454 G HA2 0.195 3.519 3.960 -1.061 0.000 0.214 454 G HA3 0.195 3.519 3.960 -1.061 0.000 0.214 454 G C -0.429 174.529 174.900 0.097 0.000 2.072 454 G CA 0.072 45.228 45.100 0.093 0.000 0.745 454 G HN 0.461 nan 8.290 nan 0.000 0.762 455 E N -0.862 119.407 120.200 0.115 0.000 2.336 455 E HA 0.550 4.263 4.350 -1.061 0.000 0.267 455 E C -1.852 174.829 176.600 0.134 0.000 0.906 455 E CA -0.759 55.708 56.400 0.111 0.000 0.781 455 E CB 2.963 32.709 29.700 0.076 0.000 1.261 455 E HN 0.150 nan 8.360 nan 0.000 0.436 456 L N 2.209 123.527 121.223 0.158 0.000 2.333 456 L HA 0.416 4.119 4.340 -1.061 0.000 0.280 456 L C -1.455 175.522 176.870 0.179 0.000 1.004 456 L CA -0.629 54.315 54.840 0.173 0.000 0.820 456 L CB 1.598 43.777 42.059 0.200 0.000 1.247 456 L HN 0.267 nan 8.230 nan 0.000 0.416 457 V N 4.463 124.440 119.914 0.105 0.000 2.581 457 V HA 0.441 3.925 4.120 -1.061 0.000 0.303 457 V C -0.686 175.483 176.094 0.125 0.000 1.041 457 V CA -0.621 61.728 62.300 0.082 0.000 0.907 457 V CB 1.598 33.426 31.823 0.009 0.000 0.994 457 V HN 0.816 nan 8.190 nan 0.000 0.442 458 H N 1.743 120.830 119.070 0.029 0.000 2.800 458 H HA 0.428 4.349 4.556 -1.058 0.000 0.322 458 H C -0.858 174.431 175.328 -0.064 0.000 0.979 458 H CA -0.466 55.583 56.048 0.002 0.000 1.277 458 H CB 1.306 31.151 29.762 0.138 0.000 1.484 458 H HN 0.679 nan 8.280 nan 0.000 0.512 459 T N 7.011 121.587 114.554 0.038 0.000 2.753 459 T HA 0.224 3.938 4.350 -1.061 0.000 0.297 459 T C 0.278 174.756 174.700 -0.369 0.000 0.981 459 T CA -0.672 61.326 62.100 -0.170 0.000 0.956 459 T CB 0.091 68.889 68.868 -0.117 0.000 0.936 459 T HN 0.369 nan 8.240 nan 0.000 0.463 460 L N 2.546 123.511 121.223 -0.429 0.000 2.375 460 L HA 0.558 4.261 4.340 -1.061 0.000 0.271 460 L C 1.269 177.862 176.870 -0.462 0.000 1.107 460 L CA -0.366 54.210 54.840 -0.440 0.000 0.806 460 L CB 0.824 42.660 42.059 -0.372 0.000 1.146 460 L HN 0.738 nan 8.230 nan 0.000 0.447 461 G N 0.778 109.351 108.800 -0.378 0.000 2.601 461 G HA2 -0.025 3.298 3.960 -1.061 0.000 0.214 461 G HA3 -0.025 3.298 3.960 -1.061 0.000 0.214 461 G C -0.373 174.551 174.900 0.040 0.000 2.067 461 G CA 0.079 45.010 45.100 -0.282 0.000 0.774 461 G HN 0.590 nan 8.290 nan 0.000 0.729 462 D N 1.687 122.232 120.400 0.242 0.000 2.411 462 D HA 0.522 4.526 4.640 -1.061 0.000 0.225 462 D C -0.274 176.149 176.300 0.205 0.000 1.156 462 D CA -0.341 53.837 54.000 0.296 0.000 0.874 462 D CB 0.670 41.618 40.800 0.246 0.000 1.034 462 D HN 0.306 nan 8.370 nan 0.000 0.502 463 A N 5.521 128.394 122.820 0.089 0.000 2.256 463 A HA 0.501 4.184 4.320 -1.061 0.000 0.317 463 A C -0.099 177.446 177.584 -0.065 0.000 1.318 463 A CA -0.741 51.247 52.037 -0.082 0.000 0.894 463 A CB 0.415 19.339 19.000 -0.127 0.000 1.165 463 A HN 0.714 nan 8.150 nan 0.000 0.525 464 H N 0.060 119.073 119.070 -0.095 0.000 2.810 464 H HA 0.825 4.739 4.556 -1.069 0.000 0.316 464 H C -1.222 174.010 175.328 -0.161 0.000 1.426 464 H CA -1.526 54.428 56.048 -0.155 0.000 1.413 464 H CB 1.111 30.718 29.762 -0.259 0.000 1.874 464 H HN 0.297 nan 8.280 nan 0.000 0.737 465 V N 1.015 120.887 119.914 -0.071 0.000 2.668 465 V HA 0.140 3.624 4.120 -1.061 0.000 0.304 465 V C -0.960 175.074 176.094 -0.101 0.000 1.071 465 V CA -0.853 61.418 62.300 -0.048 0.000 0.894 465 V CB 1.257 33.082 31.823 0.004 0.000 1.008 465 V HN 0.629 nan 8.190 nan 0.000 0.425 466 Y N 1.762 122.025 120.300 -0.062 0.000 2.379 466 Y HA 0.065 3.983 4.550 -1.052 0.000 0.337 466 Y C 1.955 177.789 175.900 -0.110 0.000 1.238 466 Y CA 0.763 58.743 58.100 -0.199 0.000 1.405 466 Y CB 1.075 39.189 38.460 -0.578 0.000 1.310 466 Y HN 0.684 nan 8.280 nan 0.000 0.569 467 S N 0.891 116.634 115.700 0.072 0.000 2.382 467 S HA -0.180 3.654 4.470 -1.061 0.000 0.228 467 S C 1.415 176.069 174.600 0.091 0.000 1.027 467 S CA 1.130 59.361 58.200 0.052 0.000 0.991 467 S CB -0.208 63.005 63.200 0.021 0.000 0.823 467 S HN 0.674 nan 8.310 nan 0.000 0.469 468 N N 0.768 119.518 118.700 0.085 0.000 2.609 468 N HA -0.033 4.070 4.740 -1.061 0.000 0.190 468 N C 0.731 176.413 175.510 0.286 0.000 1.157 468 N CA 0.675 53.797 53.050 0.121 0.000 0.918 468 N CB -0.164 38.359 38.487 0.059 0.000 0.978 468 N HN 0.650 nan 8.380 nan 0.000 0.448 469 H N -1.440 117.696 119.070 0.111 0.000 2.874 469 H HA 0.188 4.108 4.556 -1.060 0.000 0.264 469 H C 1.720 177.089 175.328 0.069 0.000 1.007 469 H CA -0.264 55.844 56.048 0.100 0.000 1.207 469 H CB 0.911 30.764 29.762 0.153 0.000 1.487 469 H HN -0.087 nan 8.280 nan 0.000 0.505 470 V N 1.522 121.541 119.914 0.175 0.000 2.250 470 V HA -0.316 3.168 4.120 -1.061 0.000 0.250 470 V C 2.122 178.258 176.094 0.071 0.000 1.060 470 V CA 2.106 64.465 62.300 0.098 0.000 1.030 470 V CB -0.295 31.569 31.823 0.068 0.000 0.643 470 V HN 0.474 nan 8.190 nan 0.000 0.445 471 E N -0.392 119.849 120.200 0.068 0.000 2.028 471 E HA -0.141 3.573 4.350 -1.061 0.000 0.191 471 E C -0.101 176.521 176.600 0.035 0.000 0.988 471 E CA 1.567 57.993 56.400 0.044 0.000 0.799 471 E CB -0.912 28.812 29.700 0.040 0.000 0.755 471 E HN 0.569 nan 8.360 nan 0.000 0.447 472 P HA -0.142 nan 4.420 nan 0.000 0.217 472 P C 1.107 178.417 177.300 0.017 0.000 1.150 472 P CA 1.151 64.261 63.100 0.016 0.000 0.832 472 P CB -0.061 31.635 31.700 -0.006 0.000 0.787 473 C N -0.650 118.671 119.300 0.036 0.000 2.449 473 C HA 0.064 3.888 4.460 -1.061 0.000 0.283 473 C C 2.594 177.595 174.990 0.020 0.000 1.453 473 C CA 0.432 59.473 59.018 0.038 0.000 1.779 473 C CB -2.066 25.712 27.740 0.063 0.000 1.779 473 C HN 0.285 nan 8.230 nan 0.000 0.546 474 N N 0.438 119.149 118.700 0.017 0.000 2.305 474 N HA -0.046 4.057 4.740 -1.061 0.000 0.179 474 N C 1.817 177.325 175.510 -0.005 0.000 1.019 474 N CA 0.848 53.901 53.050 0.005 0.000 0.869 474 N CB -0.173 38.320 38.487 0.009 0.000 1.000 474 N HN 0.507 nan 8.380 nan 0.000 0.431 475 E N 1.271 121.469 120.200 -0.003 0.000 2.058 475 E HA -0.225 3.488 4.350 -1.061 0.000 0.194 475 E C 1.805 178.387 176.600 -0.030 0.000 0.997 475 E CA 0.849 57.241 56.400 -0.014 0.000 0.801 475 E CB -0.360 29.335 29.700 -0.008 0.000 0.746 475 E HN 0.500 nan 8.360 nan 0.000 0.450 476 Q N 0.658 120.448 119.800 -0.017 0.000 2.096 476 Q HA -0.144 3.559 4.340 -1.061 0.000 0.204 476 Q C 2.414 178.394 176.000 -0.034 0.000 0.982 476 Q CA 0.937 56.728 55.803 -0.021 0.000 0.850 476 Q CB -0.143 28.615 28.738 0.033 0.000 0.901 476 Q HN 0.258 nan 8.270 nan 0.000 0.422 477 L N 0.477 121.690 121.223 -0.017 0.000 2.189 477 L HA -0.257 3.447 4.340 -1.061 0.000 0.214 477 L C 2.430 179.275 176.870 -0.042 0.000 1.097 477 L CA 1.365 56.192 54.840 -0.021 0.000 0.764 477 L CB -0.390 41.656 42.059 -0.021 0.000 0.900 477 L HN 0.244 nan 8.230 nan 0.000 0.436 478 K N 0.210 120.575 120.400 -0.060 0.000 1.991 478 K HA -0.130 3.554 4.320 -1.061 0.000 0.212 478 K C 0.766 177.296 176.600 -0.118 0.000 1.049 478 K CA 0.863 57.106 56.287 -0.073 0.000 0.932 478 K CB -0.171 32.285 32.500 -0.073 0.000 0.717 478 K HN 0.231 nan 8.250 nan 0.000 0.441 479 R N 1.252 121.619 120.500 -0.222 0.000 2.566 479 R HA -0.041 3.662 4.340 -1.061 0.000 0.273 479 R C -0.522 175.655 176.300 -0.204 0.000 0.981 479 R CA -0.125 55.729 56.100 -0.411 0.000 1.091 479 R CB 0.234 30.024 30.300 -0.849 0.000 0.924 479 R HN -0.044 nan 8.270 nan 0.000 0.411 480 V N 6.321 126.172 119.914 -0.106 0.000 2.383 480 V HA 0.195 3.678 4.120 -1.061 0.000 0.275 480 V C -1.886 174.303 176.094 0.158 0.000 1.036 480 V CA -2.183 60.138 62.300 0.035 0.000 0.889 480 V CB 1.340 33.200 31.823 0.061 0.000 0.985 480 V HN 0.675 nan 8.190 nan 0.000 0.459 481 P HA 0.139 nan 4.420 nan 0.000 0.265 481 P C -0.199 177.142 177.300 0.067 0.000 1.187 481 P CA 0.223 63.398 63.100 0.126 0.000 0.766 481 P CB 0.569 32.281 31.700 0.020 0.000 0.820 482 R N 1.529 122.050 120.500 0.035 0.000 2.705 482 R HA 0.708 4.412 4.340 -1.061 0.000 0.246 482 R C 0.060 176.271 176.300 -0.148 0.000 1.142 482 R CA -1.031 55.041 56.100 -0.046 0.000 1.114 482 R CB 0.678 30.930 30.300 -0.081 0.000 1.256 482 R HN 0.469 nan 8.270 nan 0.000 0.536 483 A N 1.019 123.774 122.820 -0.109 0.000 2.483 483 A HA 0.188 3.872 4.320 -1.061 0.000 0.238 483 A C -0.571 176.982 177.584 -0.052 0.000 1.070 483 A CA 0.078 52.040 52.037 -0.125 0.000 0.770 483 A CB -0.063 18.925 19.000 -0.020 0.000 1.008 483 A HN 0.385 nan 8.150 nan 0.000 0.497 484 F N 2.544 122.463 119.950 -0.051 0.000 2.406 484 F HA 0.368 4.258 4.527 -1.062 0.000 0.327 484 F C -1.106 174.587 175.800 -0.179 0.000 1.153 484 F CA -1.698 56.242 58.000 -0.100 0.000 1.218 484 F CB 0.293 39.193 39.000 -0.167 0.000 1.215 484 F HN 0.424 nan 8.300 nan 0.000 0.570 485 P HA 0.266 nan 4.420 nan 0.000 0.328 485 P C -1.666 175.453 177.300 -0.303 0.000 1.305 485 P CA -0.069 63.043 63.100 0.021 0.000 0.745 485 P CB 1.084 32.813 31.700 0.050 0.000 1.462 486 Y N -1.987 118.252 120.300 -0.101 0.000 2.553 486 Y HA 0.567 4.481 4.550 -1.060 0.000 0.347 486 Y C -0.106 175.663 175.900 -0.218 0.000 1.019 486 Y CA -0.986 57.041 58.100 -0.122 0.000 1.032 486 Y CB 1.595 40.029 38.460 -0.043 0.000 1.284 486 Y HN 0.147 nan 8.280 nan 0.000 0.466 487 L N 3.785 124.954 121.223 -0.089 0.000 2.362 487 L HA 0.954 4.657 4.340 -1.061 0.000 0.275 487 L C -1.234 175.565 176.870 -0.119 0.000 0.998 487 L CA -0.790 53.915 54.840 -0.225 0.000 0.820 487 L CB 1.415 43.236 42.059 -0.397 0.000 1.270 487 L HN 0.523 nan 8.230 nan 0.000 0.415 488 V N 0.760 120.585 119.914 -0.148 0.000 2.864 488 V HA 0.612 4.096 4.120 -1.061 0.000 0.314 488 V C -0.830 175.171 176.094 -0.155 0.000 1.073 488 V CA -0.673 61.596 62.300 -0.052 0.000 0.956 488 V CB 1.745 33.578 31.823 0.016 0.000 1.023 488 V HN 0.665 nan 8.190 nan 0.000 0.435 489 F N 2.706 122.690 119.950 0.056 0.000 2.415 489 F HA 0.609 4.499 4.527 -1.062 0.000 0.348 489 F C 1.492 177.337 175.800 0.076 0.000 1.119 489 F CA -0.568 57.483 58.000 0.085 0.000 1.069 489 F CB 2.004 41.064 39.000 0.100 0.000 1.124 489 F HN 0.748 nan 8.300 nan 0.000 0.472 490 R N 2.333 122.961 120.500 0.214 0.000 2.276 490 R HA 0.215 3.918 4.340 -1.061 0.000 0.196 490 R C -0.188 176.201 176.300 0.149 0.000 0.961 490 R CA 0.236 56.420 56.100 0.140 0.000 1.024 490 R CB 0.219 30.571 30.300 0.087 0.000 0.940 490 R HN 0.692 nan 8.270 nan 0.000 0.480 491 R N -0.515 120.118 120.500 0.221 0.000 2.663 491 R HA 0.372 4.075 4.340 -1.061 0.000 0.267 491 R C -1.451 174.975 176.300 0.210 0.000 1.038 491 R CA -1.003 55.191 56.100 0.158 0.000 0.886 491 R CB 1.209 31.565 30.300 0.093 0.000 1.249 491 R HN -0.159 nan 8.270 nan 0.000 0.463 492 E N 1.231 121.486 120.200 0.092 0.000 2.281 492 E HA 0.548 4.262 4.350 -1.061 0.000 0.257 492 E C -0.410 176.075 176.600 -0.191 0.000 0.971 492 E CA -1.063 55.379 56.400 0.069 0.000 0.839 492 E CB 1.465 31.200 29.700 0.058 0.000 1.238 492 E HN 0.438 nan 8.360 nan 0.000 0.412 493 R N 0.350 120.602 120.500 -0.413 0.000 3.029 493 R HA 0.324 4.027 4.340 -1.061 0.000 0.239 493 R C 0.908 177.046 176.300 -0.270 0.000 1.351 493 R CA -0.647 55.172 56.100 -0.468 0.000 1.052 493 R CB 0.460 30.227 30.300 -0.889 0.000 1.354 493 R HN 0.603 nan 8.270 nan 0.000 0.499 494 E N -0.275 119.756 120.200 -0.282 0.000 2.216 494 E HA 0.142 3.856 4.350 -1.061 0.000 0.192 494 E C -0.509 175.694 176.600 -0.662 0.000 0.973 494 E CA 0.635 56.747 56.400 -0.479 0.000 0.851 494 E CB 0.429 29.782 29.700 -0.579 0.000 0.804 494 E HN 0.255 nan 8.360 nan 0.000 0.477 495 F N -0.155 119.771 119.950 -0.040 0.000 2.565 495 F HA 0.241 4.132 4.527 -1.061 0.000 0.313 495 F C 0.801 176.654 175.800 0.087 0.000 1.091 495 F CA -0.785 57.227 58.000 0.019 0.000 0.915 495 F CB 1.204 40.215 39.000 0.019 0.000 1.208 495 F HN -0.186 nan 8.300 nan 0.000 0.453 496 L N 1.000 122.422 121.223 0.332 0.000 2.051 496 L HA -0.258 3.445 4.340 -1.061 0.000 0.214 496 L C 1.665 178.752 176.870 0.361 0.000 1.076 496 L CA 1.963 57.009 54.840 0.343 0.000 0.758 496 L CB -0.034 42.132 42.059 0.177 0.000 0.890 496 L HN 0.741 nan 8.230 nan 0.000 0.433 497 E N -0.213 120.140 120.200 0.255 0.000 2.401 497 E HA -0.189 3.525 4.350 -1.061 0.000 0.199 497 E C 1.449 178.151 176.600 0.171 0.000 1.023 497 E CA 0.942 57.455 56.400 0.188 0.000 0.859 497 E CB -0.141 29.628 29.700 0.116 0.000 0.780 497 E HN 0.512 nan 8.360 nan 0.000 0.523 498 D N -0.721 119.773 120.400 0.157 0.000 2.323 498 D HA -0.056 3.948 4.640 -1.061 0.000 0.209 498 D C -0.247 176.039 176.300 -0.023 0.000 0.973 498 D CA 0.295 54.321 54.000 0.043 0.000 0.874 498 D CB -0.077 40.717 40.800 -0.009 0.000 0.930 498 D HN 0.226 nan 8.370 nan 0.000 0.521 499 Y N 1.591 121.952 120.300 0.102 0.000 2.610 499 Y HA 0.114 4.028 4.550 -1.060 0.000 0.332 499 Y C 1.018 176.979 175.900 0.103 0.000 1.201 499 Y CA 0.389 58.559 58.100 0.117 0.000 1.465 499 Y CB 0.459 39.007 38.460 0.145 0.000 1.283 499 Y HN -0.215 nan 8.280 nan 0.000 0.563 500 E N 1.273 121.611 120.200 0.230 0.000 2.244 500 E HA 0.091 3.805 4.350 -1.061 0.000 0.266 500 E C 0.645 177.327 176.600 0.136 0.000 0.914 500 E CA -0.786 55.697 56.400 0.139 0.000 0.794 500 E CB 1.400 31.152 29.700 0.087 0.000 1.210 500 E HN 0.612 nan 8.360 nan 0.000 0.414 501 E N 1.948 122.179 120.200 0.050 0.000 2.130 501 E HA -0.197 3.516 4.350 -1.061 0.000 0.196 501 E C 1.576 178.209 176.600 0.055 0.000 0.998 501 E CA 1.749 58.151 56.400 0.002 0.000 0.806 501 E CB -0.180 29.473 29.700 -0.077 0.000 0.738 501 E HN 0.806 nan 8.360 nan 0.000 0.459 502 G N 0.593 109.431 108.800 0.065 0.000 2.471 502 G HA2 -0.215 3.108 3.960 -1.061 0.000 0.219 502 G HA3 -0.215 3.108 3.960 -1.061 0.000 0.219 502 G C 1.153 176.109 174.900 0.092 0.000 1.125 502 G CA 0.661 45.803 45.100 0.070 0.000 0.775 502 G HN 0.229 nan 8.290 nan 0.000 0.548 503 D N 0.403 120.891 120.400 0.148 0.000 2.311 503 D HA -0.026 3.977 4.640 -1.061 0.000 0.212 503 D C 1.584 177.994 176.300 0.184 0.000 0.972 503 D CA 0.784 54.922 54.000 0.230 0.000 0.887 503 D CB -0.028 41.023 40.800 0.419 0.000 0.915 503 D HN 0.530 nan 8.370 nan 0.000 0.497 504 M N -1.036 118.570 119.600 0.010 0.000 2.690 504 M HA 0.693 4.536 4.480 -1.061 0.000 0.302 504 M C -0.934 175.303 176.300 -0.105 0.000 1.234 504 M CA -0.964 54.180 55.300 -0.260 0.000 0.853 504 M CB 3.050 35.195 32.600 -0.758 0.000 1.748 504 M HN -0.342 nan 8.290 nan 0.000 0.469 505 E N 0.802 120.907 120.200 -0.160 0.000 2.308 505 E HA 0.554 4.268 4.350 -1.061 0.000 0.275 505 E C -2.105 174.378 176.600 -0.196 0.000 0.890 505 E CA -0.720 55.618 56.400 -0.102 0.000 0.754 505 E CB 2.495 32.166 29.700 -0.047 0.000 1.207 505 E HN 0.629 nan 8.360 nan 0.000 0.426 506 V N 6.000 125.761 119.914 -0.255 0.000 2.406 506 V HA 0.376 3.859 4.120 -1.061 0.000 0.272 506 V C 0.390 176.396 176.094 -0.147 0.000 1.043 506 V CA -0.421 61.659 62.300 -0.367 0.000 0.915 506 V CB 0.150 31.587 31.823 -0.643 0.000 0.988 506 V HN 0.638 nan 8.190 nan 0.000 0.466 507 I N 0.680 121.207 120.570 -0.072 0.000 2.648 507 I HA 0.642 4.176 4.170 -1.061 0.000 0.304 507 I C -0.072 176.099 176.117 0.089 0.000 1.009 507 I CA -0.746 60.562 61.300 0.013 0.000 1.114 507 I CB 1.760 39.767 38.000 0.012 0.000 1.293 507 I HN 0.553 nan 8.210 nan 0.000 0.449 508 D N 2.365 122.819 120.400 0.091 0.000 2.723 508 D HA -0.292 3.712 4.640 -1.061 0.000 0.236 508 D C -0.869 175.543 176.300 0.186 0.000 1.138 508 D CA 1.090 55.165 54.000 0.124 0.000 0.676 508 D CB -1.270 39.623 40.800 0.155 0.000 1.069 508 D HN 0.783 nan 8.370 nan 0.000 0.430 509 Y N -0.016 120.282 120.300 -0.002 0.000 2.454 509 Y HA 0.420 4.333 4.550 -1.061 0.000 0.345 509 Y C 0.055 175.950 175.900 -0.008 0.000 0.970 509 Y CA -0.694 57.397 58.100 -0.015 0.000 1.204 509 Y CB 0.766 39.191 38.460 -0.059 0.000 1.122 509 Y HN 0.113 nan 8.280 nan 0.000 0.514 510 A N 9.163 131.898 122.820 -0.142 0.000 3.047 510 A HA 0.391 4.074 4.320 -1.061 0.000 0.337 510 A C -2.827 174.539 177.584 -0.364 0.000 1.143 510 A CA -1.578 50.319 52.037 -0.234 0.000 0.905 510 A CB -0.405 18.526 19.000 -0.115 0.000 1.088 510 A HN 0.561 nan 8.150 nan 0.000 0.488 511 P HA 0.186 nan 4.420 nan 0.000 0.279 511 P C -0.534 176.632 177.300 -0.224 0.000 1.239 511 P CA -0.009 62.850 63.100 -0.400 0.000 0.789 511 P CB 0.633 31.987 31.700 -0.577 0.000 0.933 512 Y N 2.906 123.164 120.300 -0.071 0.000 2.607 512 Y HA 0.015 3.929 4.550 -1.061 0.000 0.348 512 Y C -0.817 175.064 175.900 -0.032 0.000 1.261 512 Y CA -0.701 57.382 58.100 -0.029 0.000 1.480 512 Y CB -0.855 37.607 38.460 0.003 0.000 1.358 512 Y HN 0.388 nan 8.280 nan 0.000 0.630 513 P HA 0.086 nan 4.420 nan 0.000 0.272 513 P C -2.608 174.737 177.300 0.076 0.000 1.240 513 P CA -1.325 61.824 63.100 0.082 0.000 0.791 513 P CB -0.056 31.688 31.700 0.074 0.000 0.978 514 P HA 0.098 nan 4.420 nan 0.000 0.264 514 P C -0.002 177.317 177.300 0.031 0.000 1.193 514 P CA 0.454 63.574 63.100 0.033 0.000 0.763 514 P CB -0.044 31.667 31.700 0.019 0.000 0.810 515 I N 1.720 122.305 120.570 0.025 0.000 2.683 515 I HA -0.021 3.513 4.170 -1.061 0.000 0.286 515 I C 1.393 177.516 176.117 0.010 0.000 1.175 515 I CA -0.062 61.247 61.300 0.015 0.000 1.429 515 I CB 0.130 38.135 38.000 0.008 0.000 1.371 515 I HN 0.416 nan 8.210 nan 0.000 0.569 516 S N 0.000 115.706 115.700 0.010 0.000 2.498 516 S HA 0.000 3.833 4.470 -1.061 0.000 0.327 516 S CA 0.000 58.205 58.200 0.009 0.000 1.107 516 S CB 0.000 63.206 63.200 0.011 0.000 0.593 516 S HN 0.000 nan 8.310 nan 0.000 0.517