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 3nyo_1_B DATA FIRST_RESID 2 DATA SEQUENCE ELENIVANTV LLKAREGGGG NRKGKSKKWR QMLQFPHISQ CEELRLSLER DATA SEQUENCE DYHSLCERQP IGRLLFREFC ATRPELSRCV AFLDGVAEYE VTPDDKRKAC DATA SEQUENCE GRQLTQNFLS HTGPDLIPEV PRQLVTNCTQ RLEQGPCKDL FQELTRLTHE DATA SEQUENCE YLSVAPFADY LDSIYFNRFL QWKWLERQPV TKNTFRQYRV LGKGGFGEVC DATA SEQUENCE ACQVRATGKM YACKKLEKKR IKKRKGEAMA LNEKQILEKV NSRFVVSLAY DATA SEQUENCE AYETKDALCL VLTLMNGGDL KFHIYHMGQA GFPEARAVFY AAEICCGLED DATA SEQUENCE LHRERIVYRD LKPENILLDD HGHIRISDLG LAVHVPEGQT IKGRVGTVGY DATA SEQUENCE MAPEVVKNER YTFSPDWWAL GCLLYEMIAG QSPFQXXXKK IKREEVERLV DATA SEQUENCE KEVPEEYSER FSPQARSLCS QLLCKDPAER LGCRGGSARE VKEHPLFKKL DATA SEQUENCE NFKRLGAGML EPPFKPDPQA IYCKDVLDIE QFSTVKGVEL EPTDQDFYQK DATA SEQUENCE FATGSVPIPW QNEMVETECF QELNVFGLDG SVPPDLDWKG QPPAPPKKGL DATA SEQUENCE LQRLFS 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.606 176.600 0.010 0.000 1.382 2 E CA 0.000 56.406 56.400 0.010 0.000 0.976 2 E CB 0.000 29.706 29.700 0.009 0.000 0.812 3 L N 2.370 123.599 121.223 0.009 0.000 1.997 3 L HA -0.238 4.102 4.340 0.001 0.000 0.227 3 L C 2.043 178.920 176.870 0.012 0.000 1.087 3 L CA 3.089 57.935 54.840 0.010 0.000 0.797 3 L CB -0.806 41.259 42.059 0.010 0.000 0.902 3 L HN 0.416 nan 8.230 nan 0.000 0.441 4 E N -0.902 119.306 120.200 0.013 0.000 2.130 4 E HA -0.259 4.091 4.350 0.001 0.000 0.196 4 E C 1.876 178.485 176.600 0.017 0.000 0.998 4 E CA 1.558 57.968 56.400 0.016 0.000 0.806 4 E CB -0.053 29.657 29.700 0.017 0.000 0.738 4 E HN 0.641 nan 8.360 nan 0.000 0.459 5 N N 0.179 118.887 118.700 0.013 0.000 2.051 5 N HA -0.141 4.600 4.740 0.001 0.000 0.192 5 N C 1.851 177.365 175.510 0.006 0.000 1.049 5 N CA 1.385 54.442 53.050 0.011 0.000 0.845 5 N CB -0.344 38.149 38.487 0.010 0.000 1.031 5 N HN 0.179 nan 8.380 nan 0.000 0.425 6 I N 0.131 120.704 120.570 0.005 0.000 2.423 6 I HA -0.202 3.969 4.170 0.001 0.000 0.254 6 I C 1.885 178.003 176.117 0.001 0.000 1.151 6 I CA 0.501 61.801 61.300 -0.000 0.000 1.421 6 I CB -0.588 37.412 38.000 0.000 0.000 1.079 6 I HN -0.081 nan 8.210 nan 0.000 0.431 7 V N 1.551 121.470 119.914 0.008 0.000 2.220 7 V HA -0.335 3.785 4.120 0.001 0.000 0.242 7 V C 2.864 178.968 176.094 0.017 0.000 1.041 7 V CA 2.297 64.606 62.300 0.015 0.000 0.990 7 V CB -1.213 30.623 31.823 0.022 0.000 0.634 7 V HN 0.531 nan 8.190 nan 0.000 0.452 8 A N 0.135 122.971 122.820 0.026 0.000 1.997 8 A HA -0.304 4.017 4.320 0.001 0.000 0.221 8 A C 1.961 179.546 177.584 0.003 0.000 1.172 8 A CA 2.460 54.519 52.037 0.036 0.000 0.645 8 A CB -0.893 18.134 19.000 0.044 0.000 0.813 8 A HN 0.678 nan 8.150 nan 0.000 0.454 9 N N -0.276 118.418 118.700 -0.011 0.000 2.080 9 N HA -0.092 4.649 4.740 0.001 0.000 0.189 9 N C 1.745 177.228 175.510 -0.045 0.000 1.036 9 N CA 2.141 55.171 53.050 -0.035 0.000 0.846 9 N CB -0.910 37.558 38.487 -0.032 0.000 1.015 9 N HN 0.518 nan 8.380 nan 0.000 0.423 10 T N 0.423 114.959 114.554 -0.030 0.000 2.915 10 T HA 0.002 4.352 4.350 0.001 0.000 0.269 10 T C 2.120 176.798 174.700 -0.036 0.000 1.071 10 T CA 0.445 62.526 62.100 -0.032 0.000 1.132 10 T CB -0.367 68.490 68.868 -0.019 0.000 0.878 10 T HN -0.063 nan 8.240 nan 0.000 0.479 11 V N 1.485 121.385 119.914 -0.023 0.000 2.219 11 V HA -0.169 3.952 4.120 0.001 0.000 0.248 11 V C 2.424 178.450 176.094 -0.112 0.000 1.053 11 V CA 1.636 63.923 62.300 -0.021 0.000 1.009 11 V CB -0.705 31.146 31.823 0.046 0.000 0.636 11 V HN 0.315 nan 8.190 nan 0.000 0.445 12 L N -0.935 120.193 121.223 -0.157 0.000 2.083 12 L HA -0.140 4.200 4.340 0.001 0.000 0.209 12 L C 2.207 178.972 176.870 -0.175 0.000 1.083 12 L CA 1.635 56.325 54.840 -0.250 0.000 0.752 12 L CB -0.397 41.542 42.059 -0.200 0.000 0.899 12 L HN 0.234 nan 8.230 nan 0.000 0.433 13 L N -0.947 120.206 121.223 -0.117 0.000 2.079 13 L HA -0.276 4.064 4.340 0.001 0.000 0.210 13 L C 2.566 179.385 176.870 -0.084 0.000 1.081 13 L CA 1.403 56.188 54.840 -0.092 0.000 0.752 13 L CB -0.432 41.584 42.059 -0.072 0.000 0.896 13 L HN 0.210 nan 8.230 nan 0.000 0.433 14 K N 0.017 120.370 120.400 -0.079 0.000 2.031 14 K HA -0.054 4.266 4.320 0.001 0.000 0.205 14 K C 2.092 178.647 176.600 -0.075 0.000 1.049 14 K CA 1.267 57.517 56.287 -0.062 0.000 0.939 14 K CB -0.290 32.186 32.500 -0.039 0.000 0.717 14 K HN 0.204 nan 8.250 nan 0.000 0.438 15 A N 0.810 123.562 122.820 -0.114 0.000 1.978 15 A HA -0.209 4.112 4.320 0.001 0.000 0.220 15 A C 2.151 179.665 177.584 -0.117 0.000 1.170 15 A CA 1.867 53.826 52.037 -0.129 0.000 0.636 15 A CB -0.550 18.288 19.000 -0.270 0.000 0.810 15 A HN 0.356 nan 8.150 nan 0.000 0.448 16 R N -0.398 120.027 120.500 -0.124 0.000 2.092 16 R HA -0.096 4.244 4.340 0.001 0.000 0.231 16 R C 2.096 178.350 176.300 -0.077 0.000 1.119 16 R CA 1.464 57.504 56.100 -0.099 0.000 0.970 16 R CB -0.162 30.081 30.300 -0.095 0.000 0.864 16 R HN 0.756 nan 8.270 nan 0.000 0.440 17 E N -0.969 119.189 120.200 -0.069 0.000 2.007 17 E HA -0.016 4.334 4.350 0.001 0.000 0.204 17 E C 0.936 177.506 176.600 -0.050 0.000 0.933 17 E CA 0.926 57.292 56.400 -0.056 0.000 0.924 17 E CB -0.163 29.508 29.700 -0.049 0.000 0.868 17 E HN 0.349 nan 8.360 nan 0.000 0.535 18 G N -1.190 107.585 108.800 -0.042 0.000 3.329 18 G HA2 0.496 4.456 3.960 0.001 0.000 0.180 18 G HA3 0.496 4.456 3.960 0.001 0.000 0.180 18 G C 0.163 175.041 174.900 -0.035 0.000 1.640 18 G CA 0.294 45.372 45.100 -0.036 0.000 1.018 18 G HN 0.626 nan 8.290 nan 0.000 0.581 19 G N -2.091 106.694 108.800 -0.026 0.000 2.565 19 G HA2 0.429 4.389 3.960 0.001 0.000 0.142 19 G HA3 0.429 4.389 3.960 0.001 0.000 0.142 19 G C 0.408 175.303 174.900 -0.008 0.000 1.181 19 G CA 0.549 45.638 45.100 -0.019 0.000 1.066 19 G HN 1.215 nan 8.290 nan 0.000 0.530 20 G N 0.555 109.351 108.800 -0.006 0.000 3.397 20 G HA2 0.504 4.464 3.960 0.001 0.000 0.248 20 G HA3 0.504 4.464 3.960 0.001 0.000 0.248 20 G C 1.334 176.235 174.900 0.003 0.000 1.284 20 G CA 1.598 46.700 45.100 0.004 0.000 1.570 20 G HN 2.133 nan 8.290 nan 0.000 0.587 21 G N 1.262 110.061 108.800 -0.003 0.000 2.687 21 G HA2 -0.422 3.539 3.960 0.001 0.000 0.303 21 G HA3 -0.422 3.539 3.960 0.001 0.000 0.303 21 G C 1.428 176.326 174.900 -0.004 0.000 1.209 21 G CA 0.425 45.524 45.100 -0.001 0.000 0.968 21 G HN 0.421 nan 8.290 nan 0.000 0.549 22 N N 2.096 120.799 118.700 0.006 0.000 2.043 22 N HA -0.089 4.652 4.740 0.001 0.000 0.193 22 N C 1.462 176.969 175.510 -0.006 0.000 1.037 22 N CA 1.709 54.764 53.050 0.009 0.000 0.851 22 N CB -0.401 38.102 38.487 0.027 0.000 1.027 22 N HN 0.889 nan 8.380 nan 0.000 0.422 23 R N 1.733 122.227 120.500 -0.009 0.000 2.248 23 R HA 0.246 4.586 4.340 0.001 0.000 0.328 23 R C -0.629 175.623 176.300 -0.079 0.000 1.067 23 R CA -0.167 55.899 56.100 -0.058 0.000 0.924 23 R CB 0.198 30.472 30.300 -0.044 0.000 1.013 23 R HN -0.084 nan 8.270 nan 0.000 0.454 24 K N 2.769 123.102 120.400 -0.111 0.000 2.243 24 K HA 0.101 4.421 4.320 0.001 0.000 0.232 24 K C 0.747 177.285 176.600 -0.104 0.000 1.237 24 K CA 0.566 56.797 56.287 -0.094 0.000 1.161 24 K CB 0.200 32.643 32.500 -0.094 0.000 1.505 24 K HN 1.028 nan 8.250 nan 0.000 0.271 25 G N 1.574 110.330 108.800 -0.074 0.000 2.179 25 G HA2 -0.335 3.625 3.960 0.001 0.000 0.260 25 G HA3 -0.335 3.625 3.960 0.001 0.000 0.260 25 G C -0.164 174.695 174.900 -0.068 0.000 0.977 25 G CA -0.125 44.948 45.100 -0.045 0.000 0.641 25 G HN 0.473 nan 8.290 nan 0.000 0.533 26 K N 1.051 121.357 120.400 -0.157 0.000 2.350 26 K HA 0.450 4.770 4.320 0.001 0.000 0.279 26 K C 0.706 177.257 176.600 -0.082 0.000 1.027 26 K CA 0.258 56.401 56.287 -0.239 0.000 0.969 26 K CB 1.231 33.347 32.500 -0.640 0.000 0.954 26 K HN 0.173 nan 8.250 nan 0.000 0.474 27 S N 1.954 117.658 115.700 0.006 0.000 2.516 27 S HA -0.016 4.454 4.470 0.001 0.000 0.282 27 S C 1.151 175.876 174.600 0.208 0.000 1.286 27 S CA -0.466 57.786 58.200 0.088 0.000 1.066 27 S CB 0.360 63.611 63.200 0.084 0.000 0.884 27 S HN 0.669 nan 8.310 nan 0.000 0.491 28 K N 3.709 124.206 120.400 0.162 0.000 2.442 28 K HA -0.139 4.181 4.320 0.001 0.000 0.200 28 K C 0.788 177.509 176.600 0.202 0.000 1.045 28 K CA 1.552 57.958 56.287 0.199 0.000 0.937 28 K CB -0.334 32.231 32.500 0.107 0.000 0.757 28 K HN 0.678 nan 8.250 nan 0.000 0.474 29 K N 0.426 120.925 120.400 0.165 0.000 2.861 29 K HA 0.107 4.427 4.320 0.001 0.000 0.210 29 K C 0.849 177.488 176.600 0.066 0.000 1.112 29 K CA -0.818 55.504 56.287 0.058 0.000 1.076 29 K CB -0.091 32.418 32.500 0.016 0.000 0.853 29 K HN 0.312 nan 8.250 nan 0.000 0.463 30 W N 1.264 122.545 121.300 -0.031 0.000 2.409 30 W HA -0.014 4.646 4.660 0.000 0.000 0.299 30 W C 1.018 177.507 176.519 -0.050 0.000 1.203 30 W CA 0.325 57.650 57.345 -0.034 0.000 1.298 30 W CB -0.909 28.539 29.460 -0.021 0.000 1.127 30 W HN 0.079 nan 8.180 nan 0.000 0.528 31 R N 0.982 120.934 120.500 -0.913 0.000 2.154 31 R HA -0.202 4.138 4.340 0.001 0.000 0.248 31 R C 2.483 178.530 176.300 -0.422 0.000 1.155 31 R CA 2.361 57.944 56.100 -0.862 0.000 0.979 31 R CB -0.441 29.282 30.300 -0.960 0.000 0.869 31 R HN 0.402 nan 8.270 nan 0.000 0.452 32 Q N 0.017 119.649 119.800 -0.280 0.000 1.990 32 Q HA -0.099 4.242 4.340 0.001 0.000 0.200 32 Q C 2.132 178.068 176.000 -0.107 0.000 0.980 32 Q CA 1.562 57.263 55.803 -0.169 0.000 0.832 32 Q CB -0.028 28.642 28.738 -0.112 0.000 0.897 32 Q HN 0.355 nan 8.270 nan 0.000 0.427 33 M N 0.162 119.735 119.600 -0.045 0.000 2.426 33 M HA -0.153 4.327 4.480 0.001 0.000 0.261 33 M C 0.755 177.076 176.300 0.034 0.000 1.068 33 M CA 1.157 56.465 55.300 0.013 0.000 1.066 33 M CB -0.060 32.575 32.600 0.058 0.000 1.399 33 M HN 0.151 nan 8.290 nan 0.000 0.449 34 L N -0.334 120.879 121.223 -0.017 0.000 3.209 34 L HA 0.268 4.609 4.340 0.001 0.000 0.279 34 L C 0.130 176.851 176.870 -0.248 0.000 1.301 34 L CA -0.419 54.407 54.840 -0.024 0.000 1.004 34 L CB 0.094 42.194 42.059 0.068 0.000 1.402 34 L HN 0.091 nan 8.230 nan 0.000 0.577 35 Q N 1.285 120.961 119.800 -0.208 0.000 2.262 35 Q HA 0.185 4.526 4.340 0.001 0.000 0.272 35 Q C -0.229 175.611 176.000 -0.267 0.000 1.076 35 Q CA -0.006 55.609 55.803 -0.314 0.000 0.905 35 Q CB 0.286 28.897 28.738 -0.212 0.000 1.182 35 Q HN 0.194 nan 8.270 nan 0.000 0.390 36 F N 6.265 126.051 119.950 -0.273 0.000 2.642 36 F HA -0.007 4.521 4.527 0.001 0.000 0.371 36 F C -1.230 174.284 175.800 -0.476 0.000 1.120 36 F CA -1.189 56.594 58.000 -0.362 0.000 1.331 36 F CB 0.024 38.787 39.000 -0.394 0.000 1.044 36 F HN 0.568 nan 8.300 nan 0.000 0.594 37 P HA 0.180 nan 4.420 nan 0.000 0.282 37 P C -1.131 175.805 177.300 -0.608 0.000 1.287 37 P CA -0.507 62.103 63.100 -0.816 0.000 0.792 37 P CB 0.547 31.264 31.700 -1.639 0.000 1.163 38 H N -0.809 118.021 119.070 -0.399 0.000 2.690 38 H HA 0.063 4.619 4.556 0.001 0.000 0.365 38 H C 1.635 176.791 175.328 -0.287 0.000 1.142 38 H CA -0.334 55.547 56.048 -0.277 0.000 1.417 38 H CB 0.067 29.701 29.762 -0.214 0.000 1.446 38 H HN 0.166 nan 8.280 nan 0.000 0.599 39 I N 1.156 121.664 120.570 -0.103 0.000 2.208 39 I HA -0.289 3.881 4.170 0.001 0.000 0.245 39 I C 2.442 178.494 176.117 -0.109 0.000 1.097 39 I CA 1.709 62.930 61.300 -0.132 0.000 1.363 39 I CB -1.433 36.502 38.000 -0.109 0.000 1.051 39 I HN 0.720 nan 8.210 nan 0.000 0.413 40 S N 0.846 116.501 115.700 -0.075 0.000 2.419 40 S HA -0.245 4.225 4.470 0.001 0.000 0.235 40 S C 1.780 176.336 174.600 -0.073 0.000 1.019 40 S CA 1.080 59.238 58.200 -0.070 0.000 0.982 40 S CB -0.627 62.526 63.200 -0.078 0.000 0.789 40 S HN 0.583 nan 8.310 nan 0.000 0.490 41 Q N -0.172 119.563 119.800 -0.109 0.000 2.224 41 Q HA -0.007 4.334 4.340 0.001 0.000 0.203 41 Q C 2.208 178.157 176.000 -0.086 0.000 0.970 41 Q CA 1.405 57.133 55.803 -0.125 0.000 0.865 41 Q CB -0.491 28.066 28.738 -0.302 0.000 0.922 41 Q HN 0.711 nan 8.270 nan 0.000 0.445 42 C N 0.487 119.714 119.300 -0.121 0.000 2.468 42 C HA -0.015 4.446 4.460 0.001 0.000 0.277 42 C C 2.224 177.217 174.990 0.006 0.000 1.400 42 C CA -0.015 58.980 59.018 -0.037 0.000 1.770 42 C CB -0.515 27.167 27.740 -0.097 0.000 1.905 42 C HN 0.508 nan 8.230 nan 0.000 0.519 43 E N 1.906 122.098 120.200 -0.013 0.000 2.149 43 E HA -0.272 4.078 4.350 0.001 0.000 0.215 43 E C 1.731 178.348 176.600 0.027 0.000 1.055 43 E CA 1.986 58.387 56.400 0.001 0.000 0.870 43 E CB -0.329 29.368 29.700 -0.005 0.000 0.764 43 E HN 0.664 nan 8.360 nan 0.000 0.463 44 E N -0.345 119.882 120.200 0.046 0.000 2.035 44 E HA -0.231 4.120 4.350 0.001 0.000 0.204 44 E C 2.332 178.970 176.600 0.063 0.000 1.025 44 E CA 1.596 58.029 56.400 0.056 0.000 0.835 44 E CB -0.365 29.378 29.700 0.071 0.000 0.764 44 E HN 0.281 nan 8.360 nan 0.000 0.457 45 L N 0.359 121.630 121.223 0.081 0.000 2.013 45 L HA -0.255 4.086 4.340 0.001 0.000 0.212 45 L C 2.761 179.683 176.870 0.086 0.000 1.073 45 L CA 1.367 56.259 54.840 0.088 0.000 0.753 45 L CB -0.456 41.667 42.059 0.107 0.000 0.890 45 L HN 0.147 nan 8.230 nan 0.000 0.432 46 R N 0.134 120.668 120.500 0.057 0.000 2.249 46 R HA -0.157 4.183 4.340 0.001 0.000 0.230 46 R C 2.035 178.393 176.300 0.095 0.000 1.121 46 R CA 1.003 57.146 56.100 0.073 0.000 0.997 46 R CB 0.007 30.325 30.300 0.030 0.000 0.867 46 R HN 0.406 nan 8.270 nan 0.000 0.465 47 L N -1.384 119.881 121.223 0.071 0.000 2.357 47 L HA 0.061 4.402 4.340 0.001 0.000 0.211 47 L C 2.132 179.041 176.870 0.065 0.000 1.075 47 L CA 0.353 55.230 54.840 0.061 0.000 0.830 47 L CB 0.005 42.090 42.059 0.043 0.000 0.996 47 L HN 0.076 nan 8.230 nan 0.000 0.467 48 S N 0.308 116.049 115.700 0.069 0.000 2.336 48 S HA 0.014 4.484 4.470 0.001 0.000 0.216 48 S C 0.936 175.586 174.600 0.083 0.000 1.032 48 S CA 0.151 58.390 58.200 0.065 0.000 0.973 48 S CB -0.326 62.908 63.200 0.058 0.000 0.888 48 S HN 0.113 nan 8.310 nan 0.000 0.455 49 L N 2.788 124.080 121.223 0.114 0.000 2.720 49 L HA -0.082 4.259 4.340 0.001 0.000 0.289 49 L C 0.777 177.725 176.870 0.130 0.000 1.232 49 L CA 0.191 55.119 54.840 0.147 0.000 0.915 49 L CB 0.032 42.228 42.059 0.229 0.000 1.184 49 L HN 0.382 nan 8.230 nan 0.000 0.491 50 E N 5.192 125.456 120.200 0.107 0.000 2.344 50 E HA 0.033 4.383 4.350 0.001 0.000 0.270 50 E C -0.315 176.348 176.600 0.105 0.000 1.021 50 E CA -0.510 55.943 56.400 0.089 0.000 0.887 50 E CB 0.565 30.307 29.700 0.069 0.000 0.997 50 E HN 0.411 nan 8.360 nan 0.000 0.429 51 R N 4.151 124.710 120.500 0.099 0.000 3.235 51 R HA 0.095 4.435 4.340 0.001 0.000 0.232 51 R C -0.799 175.644 176.300 0.238 0.000 1.475 51 R CA -0.288 55.888 56.100 0.125 0.000 1.405 51 R CB -0.172 30.142 30.300 0.023 0.000 1.266 51 R HN 0.330 nan 8.270 nan 0.000 0.650 52 D N 0.718 121.232 120.400 0.191 0.000 2.453 52 D HA -0.018 4.622 4.640 0.001 0.000 0.238 52 D C 0.893 177.157 176.300 -0.061 0.000 1.088 52 D CA -0.723 53.338 54.000 0.100 0.000 0.854 52 D CB 0.561 41.394 40.800 0.054 0.000 1.076 52 D HN 0.291 nan 8.370 nan 0.000 0.533 53 Y N 4.241 124.264 120.300 -0.463 0.000 2.062 53 Y HA -0.385 4.165 4.550 0.001 0.000 0.273 53 Y C 1.813 177.405 175.900 -0.513 0.000 1.206 53 Y CA 2.633 60.096 58.100 -1.061 0.000 1.125 53 Y CB -0.440 37.447 38.460 -0.955 0.000 0.951 53 Y HN 0.721 nan 8.280 nan 0.000 0.501 54 H N -0.768 118.150 119.070 -0.252 0.000 2.352 54 H HA -0.137 4.420 4.556 0.001 0.000 0.299 54 H C 2.541 177.716 175.328 -0.256 0.000 1.097 54 H CA 1.954 57.864 56.048 -0.229 0.000 1.311 54 H CB -0.664 29.048 29.762 -0.083 0.000 1.377 54 H HN 0.397 nan 8.280 nan 0.000 0.504 55 S N -1.108 114.445 115.700 -0.244 0.000 2.387 55 S HA 0.012 4.482 4.470 0.001 0.000 0.226 55 S C 2.141 176.620 174.600 -0.202 0.000 1.026 55 S CA 0.933 58.990 58.200 -0.238 0.000 0.972 55 S CB -0.155 62.985 63.200 -0.100 0.000 0.814 55 S HN 0.434 nan 8.310 nan 0.000 0.477 56 L N -0.113 120.964 121.223 -0.243 0.000 2.375 56 L HA 0.123 4.463 4.340 0.001 0.000 0.215 56 L C 1.640 178.279 176.870 -0.384 0.000 1.108 56 L CA 0.435 55.132 54.840 -0.239 0.000 0.830 56 L CB -0.085 41.890 42.059 -0.140 0.000 0.959 56 L HN 0.430 nan 8.230 nan 0.000 0.457 57 C N -1.605 117.312 119.300 -0.638 0.000 3.559 57 C HA 0.178 4.638 4.460 0.001 0.000 0.314 57 C C 2.023 176.740 174.990 -0.456 0.000 1.419 57 C CA -0.440 58.136 59.018 -0.737 0.000 1.775 57 C CB 0.288 27.122 27.740 -1.510 0.000 2.430 57 C HN 0.433 nan 8.230 nan 0.000 0.686 58 E N 0.678 120.648 120.200 -0.384 0.000 2.476 58 E HA 0.103 4.453 4.350 0.001 0.000 0.193 58 E C 1.876 178.370 176.600 -0.177 0.000 0.966 58 E CA -0.122 56.161 56.400 -0.196 0.000 1.114 58 E CB 0.086 29.759 29.700 -0.046 0.000 1.151 58 E HN 0.357 nan 8.360 nan 0.000 0.487 59 R N 1.282 121.613 120.500 -0.283 0.000 2.062 59 R HA 0.009 4.349 4.340 0.001 0.000 0.231 59 R C 0.832 177.057 176.300 -0.124 0.000 1.136 59 R CA 0.869 56.830 56.100 -0.232 0.000 0.948 59 R CB -0.072 30.029 30.300 -0.330 0.000 0.845 59 R HN 0.167 nan 8.270 nan 0.000 0.430 60 Q N 1.763 121.512 119.800 -0.085 0.000 2.381 60 Q HA 0.062 4.403 4.340 0.001 0.000 0.243 60 Q C -1.785 174.222 176.000 0.013 0.000 1.154 60 Q CA -1.496 54.313 55.803 0.010 0.000 0.899 60 Q CB 0.959 29.778 28.738 0.134 0.000 1.396 60 Q HN 0.150 nan 8.270 nan 0.000 0.485 61 P HA -0.309 nan 4.420 nan 0.000 0.222 61 P C 1.130 178.359 177.300 -0.118 0.000 1.159 61 P CA 1.619 64.666 63.100 -0.088 0.000 0.920 61 P CB 0.156 31.783 31.700 -0.122 0.000 0.793 62 I N -0.611 119.868 120.570 -0.151 0.000 2.127 62 I HA -0.207 3.964 4.170 0.001 0.000 0.241 62 I C 2.744 178.943 176.117 0.137 0.000 1.075 62 I CA 1.944 63.103 61.300 -0.234 0.000 1.334 62 I CB -1.512 36.294 38.000 -0.323 0.000 1.040 62 I HN 0.048 nan 8.210 nan 0.000 0.405 63 G N 0.792 109.826 108.800 0.390 0.000 2.599 63 G HA2 -0.379 3.581 3.960 0.001 0.000 0.219 63 G HA3 -0.379 3.581 3.960 0.001 0.000 0.219 63 G C 1.733 176.746 174.900 0.189 0.000 1.193 63 G CA 1.455 46.831 45.100 0.461 0.000 0.778 63 G HN 0.301 nan 8.290 nan 0.000 0.589 64 R N -0.081 120.457 120.500 0.064 0.000 2.088 64 R HA 0.020 4.361 4.340 0.001 0.000 0.232 64 R C 2.756 179.130 176.300 0.122 0.000 1.136 64 R CA 1.542 57.668 56.100 0.044 0.000 0.926 64 R CB -0.585 29.710 30.300 -0.009 0.000 0.837 64 R HN 0.397 nan 8.270 nan 0.000 0.429 65 L N 0.559 121.816 121.223 0.057 0.000 1.991 65 L HA -0.313 4.027 4.340 0.001 0.000 0.221 65 L C 2.542 179.562 176.870 0.250 0.000 1.079 65 L CA 1.754 56.640 54.840 0.077 0.000 0.778 65 L CB -0.551 41.433 42.059 -0.125 0.000 0.893 65 L HN 0.358 nan 8.230 nan 0.000 0.437 66 L N -1.789 119.660 121.223 0.377 0.000 2.079 66 L HA -0.275 4.066 4.340 0.001 0.000 0.210 66 L C 2.531 179.739 176.870 0.564 0.000 1.081 66 L CA 1.259 56.461 54.840 0.603 0.000 0.752 66 L CB -0.536 41.993 42.059 0.784 0.000 0.896 66 L HN 0.221 nan 8.230 nan 0.000 0.433 67 F N 1.020 121.081 119.950 0.185 0.000 2.134 67 F HA -0.195 4.333 4.527 0.001 0.000 0.299 67 F C 2.668 178.503 175.800 0.059 0.000 1.097 67 F CA 1.393 59.332 58.000 -0.101 0.000 1.264 67 F CB -0.231 38.492 39.000 -0.462 0.000 1.001 67 F HN -0.090 nan 8.300 nan 0.000 0.479 68 R N 0.440 120.968 120.500 0.047 0.000 2.088 68 R HA -0.196 4.144 4.340 0.001 0.000 0.232 68 R C 2.066 178.327 176.300 -0.065 0.000 1.136 68 R CA 1.941 58.009 56.100 -0.054 0.000 0.926 68 R CB -1.074 29.248 30.300 0.036 0.000 0.837 68 R HN 0.354 nan 8.270 nan 0.000 0.429 69 E N 0.056 120.305 120.200 0.081 0.000 2.208 69 E HA -0.266 4.084 4.350 0.001 0.000 0.202 69 E C 1.739 178.254 176.600 -0.141 0.000 1.014 69 E CA 1.636 58.114 56.400 0.130 0.000 0.819 69 E CB -0.267 29.674 29.700 0.403 0.000 0.735 69 E HN 0.298 nan 8.360 nan 0.000 0.469 70 F N 0.663 120.285 119.950 -0.547 0.000 2.118 70 F HA -0.130 4.397 4.527 0.001 0.000 0.293 70 F C 2.242 177.735 175.800 -0.512 0.000 1.102 70 F CA 1.005 58.431 58.000 -0.956 0.000 1.247 70 F CB -0.530 38.086 39.000 -0.641 0.000 1.017 70 F HN -0.027 nan 8.300 nan 0.000 0.475 71 C N 1.322 120.237 119.300 -0.641 0.000 2.403 71 C HA -0.138 4.322 4.460 0.001 0.000 0.279 71 C C 3.132 177.853 174.990 -0.447 0.000 1.269 71 C CA 1.103 59.740 59.018 -0.634 0.000 1.774 71 C CB -2.080 25.383 27.740 -0.462 0.000 1.993 71 C HN 0.649 nan 8.230 nan 0.000 0.496 72 A N 1.085 123.715 122.820 -0.316 0.000 2.076 72 A HA -0.188 4.132 4.320 0.001 0.000 0.220 72 A C 2.226 179.695 177.584 -0.192 0.000 1.160 72 A CA 2.255 54.182 52.037 -0.184 0.000 0.653 72 A CB -0.903 18.045 19.000 -0.087 0.000 0.801 72 A HN 0.733 nan 8.150 nan 0.000 0.455 73 T N -2.767 111.604 114.554 -0.305 0.000 2.995 73 T HA 0.048 4.398 4.350 0.001 0.000 0.269 73 T C 0.864 175.436 174.700 -0.213 0.000 1.091 73 T CA 0.693 62.656 62.100 -0.229 0.000 1.128 73 T CB -0.133 68.582 68.868 -0.256 0.000 0.891 73 T HN 0.421 nan 8.240 nan 0.000 0.492 74 R N 1.469 121.804 120.500 -0.275 0.000 2.435 74 R HA 0.360 4.701 4.340 0.001 0.000 0.308 74 R C -2.033 174.193 176.300 -0.124 0.000 0.975 74 R CA -2.336 53.652 56.100 -0.187 0.000 0.867 74 R CB 1.934 32.104 30.300 -0.217 0.000 1.171 74 R HN -0.003 nan 8.270 nan 0.000 0.470 75 P HA -0.342 nan 4.420 nan 0.000 0.217 75 P C 0.910 178.197 177.300 -0.021 0.000 1.158 75 P CA 1.611 64.687 63.100 -0.041 0.000 0.887 75 P CB 0.293 31.976 31.700 -0.029 0.000 0.792 76 E N 0.725 120.918 120.200 -0.012 0.000 2.058 76 E HA -0.181 4.169 4.350 0.001 0.000 0.194 76 E C 2.226 178.854 176.600 0.047 0.000 0.997 76 E CA 1.380 57.793 56.400 0.022 0.000 0.801 76 E CB -1.353 28.376 29.700 0.048 0.000 0.746 76 E HN 0.286 nan 8.360 nan 0.000 0.450 77 L N 1.086 122.315 121.223 0.010 0.000 2.044 77 L HA -0.094 4.246 4.340 0.001 0.000 0.205 77 L C 3.034 179.882 176.870 -0.037 0.000 1.075 77 L CA 1.126 55.959 54.840 -0.013 0.000 0.747 77 L CB -0.842 41.137 42.059 -0.133 0.000 0.903 77 L HN 0.183 nan 8.230 nan 0.000 0.435 78 S N 1.029 116.687 115.700 -0.071 0.000 2.390 78 S HA -0.307 4.163 4.470 0.001 0.000 0.234 78 S C 2.184 176.806 174.600 0.036 0.000 1.063 78 S CA 2.435 60.610 58.200 -0.043 0.000 1.108 78 S CB -0.245 62.929 63.200 -0.044 0.000 0.975 78 S HN 0.531 nan 8.310 nan 0.000 0.442 79 R N -0.054 120.493 120.500 0.078 0.000 2.092 79 R HA 0.002 4.343 4.340 0.001 0.000 0.231 79 R C 2.483 178.895 176.300 0.186 0.000 1.119 79 R CA 1.497 57.719 56.100 0.204 0.000 0.970 79 R CB -1.518 28.911 30.300 0.215 0.000 0.864 79 R HN 0.472 nan 8.270 nan 0.000 0.440 80 C N 1.334 120.688 119.300 0.090 0.000 2.376 80 C HA -0.125 4.335 4.460 0.001 0.000 0.275 80 C C 2.876 177.899 174.990 0.055 0.000 1.200 80 C CA 0.986 60.039 59.018 0.060 0.000 1.756 80 C CB -0.787 27.004 27.740 0.085 0.000 2.050 80 C HN 0.407 nan 8.230 nan 0.000 0.460 81 V N 1.730 121.660 119.914 0.026 0.000 2.219 81 V HA -0.293 3.827 4.120 0.001 0.000 0.248 81 V C 2.766 178.853 176.094 -0.011 0.000 1.053 81 V CA 2.499 64.798 62.300 -0.001 0.000 1.009 81 V CB -1.629 30.184 31.823 -0.016 0.000 0.636 81 V HN 0.628 nan 8.190 nan 0.000 0.445 82 A N -0.295 122.553 122.820 0.047 0.000 1.927 82 A HA -0.327 3.994 4.320 0.001 0.000 0.220 82 A C 2.131 179.638 177.584 -0.128 0.000 1.185 82 A CA 2.573 54.662 52.037 0.088 0.000 0.639 82 A CB -0.883 18.300 19.000 0.305 0.000 0.820 82 A HN 0.594 nan 8.150 nan 0.000 0.451 83 F N 0.167 119.751 119.950 -0.610 0.000 2.075 83 F HA -0.155 4.372 4.527 0.000 0.000 0.297 83 F C 1.965 177.403 175.800 -0.604 0.000 1.113 83 F CA 1.916 59.198 58.000 -1.198 0.000 1.218 83 F CB -0.444 37.863 39.000 -1.154 0.000 0.984 83 F HN 0.161 nan 8.300 nan 0.000 0.472 84 L N 0.246 121.243 121.223 -0.376 0.000 2.043 84 L HA -0.290 4.050 4.340 0.001 0.000 0.212 84 L C 2.214 178.894 176.870 -0.316 0.000 1.075 84 L CA 1.739 56.371 54.840 -0.347 0.000 0.752 84 L CB -0.773 41.206 42.059 -0.132 0.000 0.891 84 L HN 0.181 nan 8.230 nan 0.000 0.432 85 D N -0.422 119.845 120.400 -0.222 0.000 2.117 85 D HA -0.149 4.492 4.640 0.001 0.000 0.197 85 D C 2.020 178.214 176.300 -0.177 0.000 0.987 85 D CA 1.443 55.358 54.000 -0.143 0.000 0.829 85 D CB -0.527 40.231 40.800 -0.071 0.000 0.961 85 D HN 0.398 nan 8.370 nan 0.000 0.460 86 G N 1.188 109.829 108.800 -0.265 0.000 2.545 86 G HA2 -0.268 3.692 3.960 0.001 0.000 0.217 86 G HA3 -0.268 3.692 3.960 0.001 0.000 0.217 86 G C 1.900 176.616 174.900 -0.306 0.000 1.218 86 G CA 1.449 46.396 45.100 -0.255 0.000 0.787 86 G HN 0.240 nan 8.290 nan 0.000 0.571 87 V N 1.930 121.488 119.914 -0.594 0.000 2.250 87 V HA -0.273 3.847 4.120 0.001 0.000 0.250 87 V C 3.380 179.396 176.094 -0.129 0.000 1.060 87 V CA 2.474 64.469 62.300 -0.507 0.000 1.030 87 V CB -1.249 30.164 31.823 -0.684 0.000 0.643 87 V HN 0.554 nan 8.190 nan 0.000 0.445 88 A N -0.451 122.287 122.820 -0.136 0.000 1.873 88 A HA -0.353 3.968 4.320 0.001 0.000 0.218 88 A C 2.306 179.888 177.584 -0.003 0.000 1.193 88 A CA 2.427 54.440 52.037 -0.042 0.000 0.629 88 A CB -0.712 18.258 19.000 -0.050 0.000 0.826 88 A HN 0.677 nan 8.150 nan 0.000 0.447 89 E N -1.593 118.596 120.200 -0.018 0.000 2.070 89 E HA -0.286 4.065 4.350 0.001 0.000 0.197 89 E C 1.890 178.516 176.600 0.045 0.000 1.004 89 E CA 1.742 58.145 56.400 0.005 0.000 0.805 89 E CB -0.410 29.289 29.700 -0.001 0.000 0.744 89 E HN 0.719 nan 8.360 nan 0.000 0.451 90 Y N 1.519 121.785 120.300 -0.057 0.000 2.081 90 Y HA -0.238 4.312 4.550 0.000 0.000 0.280 90 Y C 1.819 177.734 175.900 0.026 0.000 1.163 90 Y CA 2.279 60.378 58.100 -0.002 0.000 1.135 90 Y CB -0.132 38.332 38.460 0.008 0.000 0.970 90 Y HN 0.082 nan 8.280 nan 0.000 0.498 91 E N -0.486 119.827 120.200 0.189 0.000 2.510 91 E HA -0.080 4.270 4.350 0.001 0.000 0.202 91 E C 0.230 176.818 176.600 -0.021 0.000 1.072 91 E CA 0.746 57.200 56.400 0.090 0.000 0.883 91 E CB -0.001 29.785 29.700 0.143 0.000 0.818 91 E HN 0.337 nan 8.360 nan 0.000 0.548 92 V N 0.477 120.362 119.914 -0.049 0.000 2.967 92 V HA 0.096 4.216 4.120 0.001 0.000 0.364 92 V C -0.225 175.829 176.094 -0.068 0.000 1.373 92 V CA -0.295 61.976 62.300 -0.048 0.000 1.193 92 V CB 0.981 32.789 31.823 -0.025 0.000 1.236 92 V HN -0.045 nan 8.190 nan 0.000 0.582 93 T N 2.737 117.216 114.554 -0.126 0.000 2.779 93 T HA 0.477 4.827 4.350 0.001 0.000 0.280 93 T C -2.565 172.065 174.700 -0.116 0.000 0.987 93 T CA -1.382 60.650 62.100 -0.114 0.000 0.966 93 T CB 2.002 70.791 68.868 -0.131 0.000 0.933 93 T HN 0.064 nan 8.240 nan 0.000 0.442 94 P HA 0.045 nan 4.420 nan 0.000 0.266 94 P C 0.161 177.427 177.300 -0.056 0.000 1.186 94 P CA 0.080 63.152 63.100 -0.048 0.000 0.767 94 P CB 0.506 32.192 31.700 -0.024 0.000 0.820 95 D N 0.779 121.153 120.400 -0.043 0.000 2.178 95 D HA -0.174 4.466 4.640 0.001 0.000 0.201 95 D C 1.044 177.331 176.300 -0.021 0.000 0.980 95 D CA 1.536 55.513 54.000 -0.039 0.000 0.842 95 D CB -0.617 40.170 40.800 -0.023 0.000 0.948 95 D HN 0.585 nan 8.370 nan 0.000 0.472 96 D N -0.302 120.091 120.400 -0.012 0.000 2.392 96 D HA -0.075 4.565 4.640 0.001 0.000 0.228 96 D C 1.212 177.513 176.300 0.002 0.000 1.003 96 D CA 0.803 54.803 54.000 -0.001 0.000 0.917 96 D CB 0.086 40.887 40.800 0.002 0.000 0.890 96 D HN 0.117 nan 8.370 nan 0.000 0.532 97 K N -1.321 119.075 120.400 -0.006 0.000 2.574 97 K HA 0.183 4.503 4.320 0.001 0.000 0.215 97 K C 1.597 178.201 176.600 0.005 0.000 1.485 97 K CA -0.437 55.852 56.287 0.004 0.000 1.006 97 K CB 0.438 32.938 32.500 0.001 0.000 1.254 97 K HN -0.161 nan 8.250 nan 0.000 0.580 98 R N 3.081 123.560 120.500 -0.035 0.000 2.168 98 R HA -0.266 4.075 4.340 0.001 0.000 0.242 98 R C 2.001 178.343 176.300 0.070 0.000 1.123 98 R CA 2.746 58.797 56.100 -0.081 0.000 0.928 98 R CB -0.193 30.017 30.300 -0.150 0.000 0.873 98 R HN 0.187 nan 8.270 nan 0.000 0.434 99 K N -0.889 119.562 120.400 0.086 0.000 2.147 99 K HA -0.036 4.285 4.320 0.001 0.000 0.205 99 K C 1.995 178.677 176.600 0.138 0.000 1.049 99 K CA 1.526 57.895 56.287 0.137 0.000 0.936 99 K CB -0.287 32.266 32.500 0.089 0.000 0.722 99 K HN 0.260 nan 8.250 nan 0.000 0.446 100 A N 1.393 124.272 122.820 0.098 0.000 1.898 100 A HA -0.138 4.182 4.320 0.001 0.000 0.216 100 A C 2.440 180.092 177.584 0.113 0.000 1.181 100 A CA 1.387 53.477 52.037 0.088 0.000 0.620 100 A CB -1.107 17.928 19.000 0.058 0.000 0.819 100 A HN 0.627 nan 8.150 nan 0.000 0.442 101 C N -0.538 118.842 119.300 0.133 0.000 2.440 101 C HA 0.109 4.569 4.460 0.001 0.000 0.278 101 C C 2.895 178.041 174.990 0.260 0.000 1.295 101 C CA 0.965 60.081 59.018 0.165 0.000 1.738 101 C CB -1.555 26.271 27.740 0.143 0.000 1.987 101 C HN 0.602 nan 8.230 nan 0.000 0.492 102 G N 0.016 109.043 108.800 0.380 0.000 2.418 102 G HA2 -0.178 3.782 3.960 0.001 0.000 0.217 102 G HA3 -0.178 3.782 3.960 0.001 0.000 0.217 102 G C 1.886 176.947 174.900 0.269 0.000 1.158 102 G CA 0.500 45.856 45.100 0.426 0.000 0.771 102 G HN 0.642 nan 8.290 nan 0.000 0.545 103 R N -0.323 120.296 120.500 0.199 0.000 2.081 103 R HA -0.058 4.282 4.340 0.001 0.000 0.235 103 R C 2.648 179.020 176.300 0.120 0.000 1.131 103 R CA 1.413 57.598 56.100 0.141 0.000 0.960 103 R CB -0.316 30.045 30.300 0.102 0.000 0.856 103 R HN 0.418 nan 8.270 nan 0.000 0.436 104 Q N 0.989 120.857 119.800 0.114 0.000 2.152 104 Q HA -0.162 4.178 4.340 0.001 0.000 0.206 104 Q C 1.795 177.860 176.000 0.107 0.000 0.985 104 Q CA 1.592 57.448 55.803 0.088 0.000 0.863 104 Q CB -0.100 28.690 28.738 0.086 0.000 0.904 104 Q HN 0.360 nan 8.270 nan 0.000 0.422 105 L N -1.059 120.257 121.223 0.156 0.000 2.068 105 L HA -0.087 4.253 4.340 0.001 0.000 0.204 105 L C 2.352 179.386 176.870 0.273 0.000 1.076 105 L CA 1.418 56.405 54.840 0.246 0.000 0.753 105 L CB -0.916 41.181 42.059 0.064 0.000 0.910 105 L HN 0.255 nan 8.230 nan 0.000 0.439 106 T N -0.471 114.214 114.554 0.219 0.000 2.653 106 T HA -0.311 4.040 4.350 0.001 0.000 0.268 106 T C 1.823 176.592 174.700 0.114 0.000 1.035 106 T CA 1.671 63.893 62.100 0.203 0.000 1.154 106 T CB -0.332 68.638 68.868 0.170 0.000 0.862 106 T HN 0.363 nan 8.240 nan 0.000 0.441 107 Q N 0.240 120.076 119.800 0.060 0.000 2.378 107 Q HA 0.115 4.455 4.340 0.001 0.000 0.205 107 Q C 2.278 178.238 176.000 -0.068 0.000 0.954 107 Q CA 0.556 56.351 55.803 -0.014 0.000 0.901 107 Q CB -0.005 28.724 28.738 -0.016 0.000 0.981 107 Q HN 0.575 nan 8.270 nan 0.000 0.483 108 N N -0.790 117.860 118.700 -0.083 0.000 2.278 108 N HA 0.007 4.748 4.740 0.001 0.000 0.181 108 N C 0.869 176.138 175.510 -0.403 0.000 1.023 108 N CA 0.911 53.774 53.050 -0.313 0.000 0.862 108 N CB 0.181 38.370 38.487 -0.497 0.000 1.003 108 N HN 0.177 nan 8.380 nan 0.000 0.431 109 F N 0.204 120.165 119.950 0.019 0.000 2.717 109 F HA 0.301 4.829 4.527 0.001 0.000 0.295 109 F C 1.391 177.150 175.800 -0.069 0.000 1.117 109 F CA 0.146 58.137 58.000 -0.014 0.000 1.361 109 F CB 0.467 39.514 39.000 0.078 0.000 1.112 109 F HN -0.131 nan 8.300 nan 0.000 0.594 110 L N -0.316 120.979 121.223 0.121 0.000 3.069 110 L HA 0.221 4.562 4.340 0.001 0.000 0.271 110 L C 0.689 177.557 176.870 -0.004 0.000 1.201 110 L CA -0.288 54.591 54.840 0.065 0.000 1.015 110 L CB 0.109 42.244 42.059 0.126 0.000 1.371 110 L HN -0.047 nan 8.230 nan 0.000 0.574 111 S N -1.126 114.529 115.700 -0.074 0.000 2.549 111 S HA 0.017 4.488 4.470 0.001 0.000 0.283 111 S C 1.182 175.676 174.600 -0.176 0.000 1.320 111 S CA -0.446 57.624 58.200 -0.217 0.000 1.058 111 S CB 0.255 63.337 63.200 -0.197 0.000 0.882 111 S HN 0.427 nan 8.310 nan 0.000 0.498 112 H N 1.804 120.870 119.070 -0.007 0.000 2.553 112 H HA 0.059 4.615 4.556 0.001 0.000 0.269 112 H C 0.743 176.060 175.328 -0.017 0.000 1.011 112 H CA 0.720 56.760 56.048 -0.013 0.000 1.150 112 H CB -0.974 28.782 29.762 -0.010 0.000 1.339 112 H HN 0.682 nan 8.280 nan 0.000 0.604 113 T N -0.012 114.517 114.554 -0.041 0.000 2.925 113 T HA 0.123 4.473 4.350 0.001 0.000 0.245 113 T C 1.627 176.311 174.700 -0.026 0.000 1.025 113 T CA 0.557 62.646 62.100 -0.019 0.000 1.149 113 T CB -0.358 68.479 68.868 -0.051 0.000 0.866 113 T HN 0.494 nan 8.240 nan 0.000 0.437 114 G N 2.449 111.218 108.800 -0.051 0.000 2.651 114 G HA2 0.456 4.416 3.960 0.001 0.000 0.260 114 G HA3 0.456 4.416 3.960 0.001 0.000 0.260 114 G C -2.392 172.485 174.900 -0.038 0.000 1.216 114 G CA -0.992 44.078 45.100 -0.051 0.000 0.913 114 G HN 0.175 nan 8.290 nan 0.000 0.535 115 P HA 0.081 nan 4.420 nan 0.000 0.268 115 P C -0.220 177.057 177.300 -0.039 0.000 1.208 115 P CA -0.161 62.919 63.100 -0.034 0.000 0.777 115 P CB 0.490 32.170 31.700 -0.032 0.000 0.875 116 D N 0.623 120.996 120.400 -0.045 0.000 2.399 116 D HA -0.018 4.622 4.640 0.001 0.000 0.241 116 D C 1.012 177.261 176.300 -0.084 0.000 1.133 116 D CA -0.114 53.847 54.000 -0.065 0.000 0.890 116 D CB 0.780 41.535 40.800 -0.076 0.000 1.201 116 D HN 0.148 nan 8.370 nan 0.000 0.432 117 L N 4.363 125.517 121.223 -0.116 0.000 1.982 117 L HA 0.106 4.446 4.340 0.001 0.000 0.206 117 L C 0.865 177.610 176.870 -0.208 0.000 1.078 117 L CA 1.394 56.143 54.840 -0.152 0.000 0.749 117 L CB -0.296 41.611 42.059 -0.254 0.000 0.894 117 L HN 0.569 nan 8.230 nan 0.000 0.436 118 I N -3.874 116.528 120.570 -0.280 0.000 2.577 118 I HA 0.370 4.540 4.170 0.001 0.000 0.305 118 I C -1.711 174.187 176.117 -0.366 0.000 0.986 118 I CA -1.897 59.127 61.300 -0.460 0.000 1.189 118 I CB 1.017 38.747 38.000 -0.451 0.000 1.355 118 I HN -0.024 nan 8.210 nan 0.000 0.476 119 P HA -0.082 nan 4.420 nan 0.000 0.219 119 P C -0.366 176.839 177.300 -0.158 0.000 1.146 119 P CA 1.437 64.395 63.100 -0.237 0.000 0.808 119 P CB 0.124 31.702 31.700 -0.204 0.000 0.779 120 E N -0.840 119.258 120.200 -0.170 0.000 2.914 120 E HA 0.283 4.634 4.350 0.001 0.000 0.246 120 E C -1.472 175.070 176.600 -0.096 0.000 1.146 120 E CA -0.416 55.922 56.400 -0.103 0.000 0.803 120 E CB 1.465 31.123 29.700 -0.070 0.000 1.409 120 E HN -0.200 nan 8.360 nan 0.000 0.392 121 V N 3.278 123.137 119.914 -0.090 0.000 2.350 121 V HA 0.426 4.546 4.120 0.001 0.000 0.276 121 V C -2.390 173.676 176.094 -0.046 0.000 1.028 121 V CA -2.154 60.102 62.300 -0.075 0.000 0.860 121 V CB 0.887 32.657 31.823 -0.088 0.000 0.990 121 V HN 0.375 nan 8.190 nan 0.000 0.453 122 P HA 0.308 nan 4.420 nan 0.000 0.267 122 P C 0.538 177.827 177.300 -0.018 0.000 1.209 122 P CA -0.103 62.983 63.100 -0.023 0.000 0.763 122 P CB 0.442 32.132 31.700 -0.017 0.000 0.816 123 R N 2.087 122.577 120.500 -0.017 0.000 2.148 123 R HA -0.127 4.213 4.340 0.001 0.000 0.227 123 R C 1.748 178.043 176.300 -0.009 0.000 1.103 123 R CA 0.922 57.014 56.100 -0.014 0.000 0.983 123 R CB -0.153 30.134 30.300 -0.022 0.000 0.874 123 R HN 0.569 nan 8.270 nan 0.000 0.451 124 Q N 1.056 120.850 119.800 -0.010 0.000 2.030 124 Q HA -0.143 4.198 4.340 0.001 0.000 0.204 124 Q C 2.286 178.285 176.000 -0.002 0.000 0.986 124 Q CA 1.395 57.194 55.803 -0.007 0.000 0.843 124 Q CB -0.397 28.336 28.738 -0.008 0.000 0.904 124 Q HN 0.367 nan 8.270 nan 0.000 0.420 125 L N 0.500 121.723 121.223 0.000 0.000 2.353 125 L HA -0.142 4.198 4.340 0.001 0.000 0.220 125 L C 2.281 179.161 176.870 0.017 0.000 1.133 125 L CA 0.268 55.112 54.840 0.006 0.000 0.798 125 L CB -0.288 41.775 42.059 0.007 0.000 0.922 125 L HN 0.009 nan 8.230 nan 0.000 0.445 126 V N -1.312 118.614 119.914 0.019 0.000 2.256 126 V HA -0.205 3.916 4.120 0.001 0.000 0.240 126 V C 2.385 178.505 176.094 0.044 0.000 1.036 126 V CA 2.256 64.579 62.300 0.039 0.000 1.008 126 V CB -0.883 30.966 31.823 0.043 0.000 0.648 126 V HN 0.401 nan 8.190 nan 0.000 0.453 127 T N 0.213 114.786 114.554 0.031 0.000 2.867 127 T HA -0.156 4.194 4.350 0.001 0.000 0.268 127 T C 1.908 176.617 174.700 0.015 0.000 1.057 127 T CA 1.250 63.367 62.100 0.029 0.000 1.136 127 T CB -0.459 68.416 68.868 0.012 0.000 0.874 127 T HN 0.378 nan 8.240 nan 0.000 0.466 128 N N 0.756 119.459 118.700 0.005 0.000 2.149 128 N HA -0.125 4.615 4.740 0.001 0.000 0.188 128 N C 2.037 177.536 175.510 -0.018 0.000 1.019 128 N CA 0.905 53.952 53.050 -0.006 0.000 0.857 128 N CB -0.519 37.964 38.487 -0.007 0.000 0.997 128 N HN 0.370 nan 8.380 nan 0.000 0.426 129 C N 0.276 119.567 119.300 -0.016 0.000 2.466 129 C HA -0.006 4.455 4.460 0.001 0.000 0.278 129 C C 2.635 177.598 174.990 -0.046 0.000 1.288 129 C CA 1.381 60.367 59.018 -0.054 0.000 1.722 129 C CB -1.267 26.456 27.740 -0.029 0.000 2.017 129 C HN 0.533 nan 8.230 nan 0.000 0.488 130 T N -0.017 114.540 114.554 0.005 0.000 2.699 130 T HA -0.285 4.066 4.350 0.001 0.000 0.268 130 T C 1.745 176.450 174.700 0.008 0.000 1.036 130 T CA 1.975 64.089 62.100 0.023 0.000 1.147 130 T CB -0.427 68.471 68.868 0.050 0.000 0.862 130 T HN 0.733 nan 8.240 nan 0.000 0.446 131 Q N 0.672 120.472 119.800 -0.000 0.000 1.941 131 Q HA -0.124 4.216 4.340 0.001 0.000 0.201 131 Q C 2.557 178.548 176.000 -0.015 0.000 0.982 131 Q CA 1.240 57.042 55.803 -0.003 0.000 0.839 131 Q CB -0.098 28.638 28.738 -0.003 0.000 0.904 131 Q HN 0.196 nan 8.270 nan 0.000 0.427 132 R N 0.732 121.213 120.500 -0.032 0.000 2.185 132 R HA -0.196 4.144 4.340 0.001 0.000 0.247 132 R C 2.163 178.429 176.300 -0.055 0.000 1.159 132 R CA 1.414 57.487 56.100 -0.045 0.000 0.988 132 R CB -0.920 29.342 30.300 -0.064 0.000 0.871 132 R HN 0.436 nan 8.270 nan 0.000 0.458 133 L N 0.660 121.842 121.223 -0.068 0.000 1.956 133 L HA -0.181 4.160 4.340 0.001 0.000 0.216 133 L C 1.701 178.572 176.870 0.002 0.000 1.073 133 L CA 2.198 57.005 54.840 -0.054 0.000 0.762 133 L CB -0.630 41.408 42.059 -0.036 0.000 0.889 133 L HN 0.297 nan 8.230 nan 0.000 0.433 134 E N -0.979 119.227 120.200 0.010 0.000 2.152 134 E HA -0.186 4.164 4.350 0.001 0.000 0.192 134 E C 2.116 178.726 176.600 0.018 0.000 0.983 134 E CA 0.989 57.403 56.400 0.022 0.000 0.818 134 E CB -0.071 29.642 29.700 0.022 0.000 0.758 134 E HN 0.658 nan 8.360 nan 0.000 0.467 135 Q N -0.205 119.600 119.800 0.008 0.000 1.969 135 Q HA -0.021 4.319 4.340 0.001 0.000 0.198 135 Q C 1.253 177.259 176.000 0.010 0.000 0.978 135 Q CA 1.205 57.012 55.803 0.007 0.000 0.830 135 Q CB -0.202 28.536 28.738 0.001 0.000 0.896 135 Q HN 0.161 nan 8.270 nan 0.000 0.431 136 G N 2.617 111.421 108.800 0.007 0.000 3.113 136 G HA2 0.380 4.341 3.960 0.001 0.000 0.301 136 G HA3 0.380 4.341 3.960 0.001 0.000 0.301 136 G C -2.708 172.205 174.900 0.022 0.000 1.606 136 G CA -0.969 44.139 45.100 0.013 0.000 1.060 136 G HN -0.064 nan 8.290 nan 0.000 0.540 137 P HA 0.139 nan 4.420 nan 0.000 0.244 137 P C 1.160 178.527 177.300 0.112 0.000 1.723 137 P CA -0.303 62.861 63.100 0.107 0.000 1.110 137 P CB -0.493 31.288 31.700 0.135 0.000 1.972 138 C N 1.726 121.077 119.300 0.086 0.000 2.574 138 C HA 0.326 4.786 4.460 0.001 0.000 0.335 138 C C 2.046 177.123 174.990 0.144 0.000 1.493 138 C CA -0.535 58.526 59.018 0.071 0.000 2.217 138 C CB 0.214 27.977 27.740 0.038 0.000 2.056 138 C HN 0.284 nan 8.230 nan 0.000 0.607 139 K N 0.466 120.928 120.400 0.103 0.000 2.097 139 K HA -0.051 4.269 4.320 0.001 0.000 0.205 139 K C 0.956 177.671 176.600 0.192 0.000 1.050 139 K CA 1.849 58.224 56.287 0.146 0.000 0.938 139 K CB -0.206 32.339 32.500 0.076 0.000 0.718 139 K HN 0.659 nan 8.250 nan 0.000 0.442 140 D N 0.992 121.455 120.400 0.106 0.000 2.325 140 D HA -0.024 4.616 4.640 0.001 0.000 0.225 140 D C 1.453 177.760 176.300 0.013 0.000 1.096 140 D CA 0.059 54.101 54.000 0.071 0.000 0.844 140 D CB 0.221 41.045 40.800 0.040 0.000 0.925 140 D HN 0.013 nan 8.370 nan 0.000 0.513 141 L N -0.265 120.930 121.223 -0.047 0.000 2.081 141 L HA -0.163 4.178 4.340 0.001 0.000 0.212 141 L C 1.335 177.926 176.870 -0.464 0.000 1.080 141 L CA 1.821 56.465 54.840 -0.327 0.000 0.754 141 L CB -0.465 41.255 42.059 -0.565 0.000 0.893 141 L HN -0.070 nan 8.230 nan 0.000 0.433 142 F N -2.099 117.816 119.950 -0.059 0.000 2.721 142 F HA 0.117 4.644 4.527 0.001 0.000 0.301 142 F C 2.268 178.078 175.800 0.016 0.000 1.096 142 F CA 0.255 58.231 58.000 -0.040 0.000 1.308 142 F CB -0.234 38.687 39.000 -0.132 0.000 1.086 142 F HN 0.057 nan 8.300 nan 0.000 0.587 143 Q N 1.369 121.258 119.800 0.148 0.000 2.165 143 Q HA -0.288 4.052 4.340 0.001 0.000 0.215 143 Q C 1.978 178.042 176.000 0.106 0.000 1.010 143 Q CA 2.481 58.350 55.803 0.111 0.000 0.896 143 Q CB -0.138 28.639 28.738 0.066 0.000 0.956 143 Q HN 0.333 nan 8.270 nan 0.000 0.413 144 E N -0.370 119.884 120.200 0.090 0.000 2.051 144 E HA -0.161 4.189 4.350 0.001 0.000 0.192 144 E C 2.183 178.844 176.600 0.102 0.000 0.991 144 E CA 1.294 57.739 56.400 0.075 0.000 0.799 144 E CB -0.323 29.406 29.700 0.049 0.000 0.748 144 E HN 0.457 nan 8.360 nan 0.000 0.449 145 L N 0.759 122.075 121.223 0.155 0.000 1.994 145 L HA -0.156 4.184 4.340 0.001 0.000 0.208 145 L C 2.694 179.692 176.870 0.213 0.000 1.071 145 L CA 1.461 56.407 54.840 0.177 0.000 0.745 145 L CB -0.926 41.305 42.059 0.286 0.000 0.892 145 L HN 0.103 nan 8.230 nan 0.000 0.431 146 T N -0.600 114.112 114.554 0.263 0.000 2.624 146 T HA -0.315 4.035 4.350 0.001 0.000 0.268 146 T C 2.035 176.863 174.700 0.214 0.000 1.041 146 T CA 1.862 64.100 62.100 0.231 0.000 1.159 146 T CB -0.294 68.676 68.868 0.170 0.000 0.863 146 T HN 0.246 nan 8.240 nan 0.000 0.434 147 R N -0.005 120.590 120.500 0.159 0.000 2.105 147 R HA -0.046 4.294 4.340 0.001 0.000 0.239 147 R C 2.326 178.688 176.300 0.103 0.000 1.135 147 R CA 1.158 57.328 56.100 0.117 0.000 0.967 147 R CB -0.342 29.997 30.300 0.064 0.000 0.861 147 R HN 0.280 nan 8.270 nan 0.000 0.442 148 L N -0.197 121.080 121.223 0.091 0.000 2.131 148 L HA -0.066 4.274 4.340 0.001 0.000 0.206 148 L C 2.154 179.070 176.870 0.078 0.000 1.087 148 L CA 1.606 56.483 54.840 0.062 0.000 0.767 148 L CB -0.250 41.830 42.059 0.034 0.000 0.917 148 L HN 0.142 nan 8.230 nan 0.000 0.441 149 T N -2.108 112.497 114.554 0.086 0.000 2.674 149 T HA -0.203 4.147 4.350 0.001 0.000 0.265 149 T C 1.837 176.589 174.700 0.087 0.000 1.039 149 T CA 1.357 63.511 62.100 0.089 0.000 1.150 149 T CB -0.398 68.507 68.868 0.062 0.000 0.864 149 T HN 0.324 nan 8.240 nan 0.000 0.427 150 H N 0.649 119.757 119.070 0.063 0.000 2.422 150 H HA -0.042 4.515 4.556 0.001 0.000 0.298 150 H C 2.432 177.659 175.328 -0.168 0.000 1.098 150 H CA 1.525 57.553 56.048 -0.035 0.000 1.315 150 H CB -0.122 29.624 29.762 -0.027 0.000 1.382 150 H HN 0.325 nan 8.280 nan 0.000 0.523 151 E N 0.214 120.437 120.200 0.039 0.000 2.204 151 E HA -0.162 4.188 4.350 0.001 0.000 0.194 151 E C 1.979 178.586 176.600 0.012 0.000 0.989 151 E CA 0.657 57.044 56.400 -0.022 0.000 0.824 151 E CB -0.271 29.438 29.700 0.015 0.000 0.756 151 E HN 0.467 nan 8.360 nan 0.000 0.477 152 Y N 0.281 120.545 120.300 -0.060 0.000 2.206 152 Y HA 0.004 4.554 4.550 0.000 0.000 0.292 152 Y C 1.662 177.554 175.900 -0.013 0.000 1.123 152 Y CA 1.385 59.465 58.100 -0.032 0.000 1.142 152 Y CB -0.345 38.101 38.460 -0.023 0.000 1.006 152 Y HN -0.002 nan 8.280 nan 0.000 0.518 153 L N 0.199 121.265 121.223 -0.262 0.000 2.017 153 L HA -0.196 4.144 4.340 0.001 0.000 0.208 153 L C 2.530 179.280 176.870 -0.200 0.000 1.073 153 L CA 1.708 56.408 54.840 -0.233 0.000 0.745 153 L CB -1.257 40.850 42.059 0.081 0.000 0.894 153 L HN 0.351 nan 8.230 nan 0.000 0.432 154 S N -0.997 114.366 115.700 -0.561 0.000 2.520 154 S HA -0.073 4.398 4.470 0.001 0.000 0.249 154 S C 1.281 175.767 174.600 -0.189 0.000 0.983 154 S CA 0.870 58.588 58.200 -0.803 0.000 0.958 154 S CB -0.648 61.985 63.200 -0.945 0.000 0.750 154 S HN 0.231 nan 8.310 nan 0.000 0.527 155 V N 1.069 120.937 119.914 -0.077 0.000 4.590 155 V HA 0.487 4.607 4.120 0.001 0.000 0.180 155 V C 2.597 178.734 176.094 0.072 0.000 1.032 155 V CA 0.114 62.430 62.300 0.026 0.000 1.463 155 V CB -0.984 30.844 31.823 0.009 0.000 2.093 155 V HN 0.386 nan 8.190 nan 0.000 0.413 156 A N 1.247 124.080 122.820 0.021 0.000 1.865 156 A HA -0.098 4.223 4.320 0.001 0.000 0.217 156 A C 0.259 177.886 177.584 0.072 0.000 1.191 156 A CA 2.651 54.714 52.037 0.042 0.000 0.623 156 A CB -2.128 16.907 19.000 0.057 0.000 0.826 156 A HN 0.629 nan 8.150 nan 0.000 0.444 157 P HA -0.078 nan 4.420 nan 0.000 0.219 157 P C 1.364 178.907 177.300 0.405 0.000 1.150 157 P CA 0.623 63.837 63.100 0.190 0.000 0.814 157 P CB -0.112 31.621 31.700 0.056 0.000 0.787 158 F N 1.830 121.889 119.950 0.181 0.000 2.010 158 F HA -0.188 4.339 4.527 0.001 0.000 0.296 158 F C 2.292 178.146 175.800 0.089 0.000 1.146 158 F CA 1.646 59.736 58.000 0.151 0.000 1.181 158 F CB -1.314 37.727 39.000 0.068 0.000 0.965 158 F HN -0.100 nan 8.300 nan 0.000 0.480 159 A N -0.090 122.674 122.820 -0.093 0.000 1.986 159 A HA -0.245 4.075 4.320 0.001 0.000 0.220 159 A C 2.014 179.497 177.584 -0.169 0.000 1.171 159 A CA 2.096 53.979 52.037 -0.256 0.000 0.640 159 A CB -1.154 17.775 19.000 -0.119 0.000 0.811 159 A HN 0.522 nan 8.150 nan 0.000 0.451 160 D N -1.539 118.849 120.400 -0.020 0.000 2.088 160 D HA -0.195 4.446 4.640 0.001 0.000 0.191 160 D C 1.721 177.922 176.300 -0.164 0.000 0.992 160 D CA 1.808 55.821 54.000 0.021 0.000 0.831 160 D CB -0.649 40.277 40.800 0.209 0.000 0.973 160 D HN 0.618 nan 8.370 nan 0.000 0.447 161 Y N 1.303 121.320 120.300 -0.471 0.000 2.139 161 Y HA -0.243 4.308 4.550 0.001 0.000 0.282 161 Y C 2.133 177.724 175.900 -0.515 0.000 1.179 161 Y CA 1.514 59.058 58.100 -0.926 0.000 1.161 161 Y CB -0.528 37.663 38.460 -0.448 0.000 0.970 161 Y HN -0.025 nan 8.280 nan 0.000 0.511 162 L N 0.017 120.885 121.223 -0.592 0.000 2.265 162 L HA -0.180 4.161 4.340 0.001 0.000 0.215 162 L C 1.156 177.777 176.870 -0.415 0.000 1.117 162 L CA 1.491 55.806 54.840 -0.876 0.000 0.782 162 L CB -0.353 41.159 42.059 -0.912 0.000 0.914 162 L HN 0.211 nan 8.230 nan 0.000 0.441 163 D N -0.455 119.783 120.400 -0.270 0.000 2.615 163 D HA 0.076 4.717 4.640 0.001 0.000 0.236 163 D C 0.221 176.482 176.300 -0.065 0.000 1.233 163 D CA 0.029 53.965 54.000 -0.106 0.000 0.829 163 D CB 0.256 41.012 40.800 -0.074 0.000 1.024 163 D HN 0.148 nan 8.370 nan 0.000 0.490 164 S N -1.406 114.223 115.700 -0.118 0.000 2.638 164 S HA 0.368 4.839 4.470 0.001 0.000 0.302 164 S C 1.351 175.983 174.600 0.054 0.000 1.096 164 S CA -0.768 57.425 58.200 -0.012 0.000 0.953 164 S CB 1.396 64.539 63.200 -0.095 0.000 1.107 164 S HN 0.049 nan 8.310 nan 0.000 0.503 165 I N 0.855 121.498 120.570 0.121 0.000 2.194 165 I HA -0.214 3.956 4.170 0.001 0.000 0.246 165 I C 1.606 177.756 176.117 0.054 0.000 1.093 165 I CA 1.695 63.030 61.300 0.059 0.000 1.355 165 I CB -0.232 37.780 38.000 0.021 0.000 1.046 165 I HN 0.830 nan 8.210 nan 0.000 0.413 166 Y N -0.838 119.503 120.300 0.068 0.000 2.241 166 Y HA -0.327 4.224 4.550 0.000 0.000 0.286 166 Y C 2.158 178.125 175.900 0.111 0.000 1.166 166 Y CA 1.837 60.025 58.100 0.146 0.000 1.203 166 Y CB -0.626 37.983 38.460 0.249 0.000 0.977 166 Y HN 0.239 nan 8.280 nan 0.000 0.529 167 F N 0.727 120.564 119.950 -0.189 0.000 2.163 167 F HA -0.123 4.404 4.527 0.000 0.000 0.297 167 F C 1.842 177.665 175.800 0.038 0.000 1.094 167 F CA 1.399 59.245 58.000 -0.258 0.000 1.290 167 F CB -0.965 37.711 39.000 -0.539 0.000 1.017 167 F HN 0.009 nan 8.300 nan 0.000 0.483 168 N N -0.275 118.365 118.700 -0.100 0.000 2.094 168 N HA -0.277 4.463 4.740 0.001 0.000 0.191 168 N C 1.947 177.381 175.510 -0.126 0.000 1.023 168 N CA 1.305 54.255 53.050 -0.167 0.000 0.857 168 N CB -0.162 38.264 38.487 -0.101 0.000 1.013 168 N HN 0.022 nan 8.380 nan 0.000 0.426 169 R N 0.737 121.222 120.500 -0.025 0.000 2.081 169 R HA -0.088 4.252 4.340 0.001 0.000 0.235 169 R C 1.798 178.203 176.300 0.174 0.000 1.131 169 R CA 1.234 57.314 56.100 -0.034 0.000 0.960 169 R CB -0.948 29.403 30.300 0.085 0.000 0.856 169 R HN 0.290 nan 8.270 nan 0.000 0.436 170 F N 0.303 120.375 119.950 0.205 0.000 2.095 170 F HA -0.193 4.334 4.527 0.001 0.000 0.298 170 F C 1.709 177.603 175.800 0.157 0.000 1.104 170 F CA 1.630 59.828 58.000 0.330 0.000 1.232 170 F CB -0.206 39.006 39.000 0.354 0.000 0.987 170 F HN 0.018 nan 8.300 nan 0.000 0.475 171 L N -0.036 121.255 121.223 0.114 0.000 2.042 171 L HA -0.271 4.070 4.340 0.001 0.000 0.210 171 L C 2.548 179.410 176.870 -0.013 0.000 1.076 171 L CA 1.626 56.461 54.840 -0.010 0.000 0.749 171 L CB -0.915 41.015 42.059 -0.215 0.000 0.893 171 L HN 0.281 nan 8.230 nan 0.000 0.432 172 Q N -0.869 118.865 119.800 -0.111 0.000 2.045 172 Q HA -0.270 4.070 4.340 0.001 0.000 0.206 172 Q C 2.087 178.101 176.000 0.022 0.000 0.991 172 Q CA 2.423 58.130 55.803 -0.159 0.000 0.851 172 Q CB -0.386 28.037 28.738 -0.525 0.000 0.911 172 Q HN 0.502 nan 8.270 nan 0.000 0.418 173 W N 0.942 122.266 121.300 0.041 0.000 2.321 173 W HA -0.234 4.426 4.660 0.000 0.000 0.306 173 W C 2.492 179.022 176.519 0.018 0.000 1.217 173 W CA 1.085 58.524 57.345 0.157 0.000 1.257 173 W CB -0.066 29.458 29.460 0.105 0.000 1.145 173 W HN 0.107 nan 8.180 nan 0.000 0.509 174 K N -0.538 119.878 120.400 0.026 0.000 2.025 174 K HA -0.215 4.105 4.320 0.001 0.000 0.207 174 K C 1.741 178.341 176.600 0.001 0.000 1.049 174 K CA 1.730 57.966 56.287 -0.085 0.000 0.933 174 K CB -0.944 31.499 32.500 -0.096 0.000 0.714 174 K HN 0.237 nan 8.250 nan 0.000 0.438 175 W N 0.852 122.101 121.300 -0.085 0.000 2.325 175 W HA -0.207 4.453 4.660 0.000 0.000 0.299 175 W C 1.324 177.794 176.519 -0.082 0.000 1.215 175 W CA 1.577 58.876 57.345 -0.077 0.000 1.244 175 W CB -0.119 29.307 29.460 -0.058 0.000 1.140 175 W HN 0.095 nan 8.180 nan 0.000 0.523 176 L N 0.686 122.083 121.223 0.290 0.000 2.017 176 L HA -0.267 4.073 4.340 0.001 0.000 0.208 176 L C 2.736 179.408 176.870 -0.330 0.000 1.073 176 L CA 2.289 57.229 54.840 0.166 0.000 0.745 176 L CB -1.032 41.352 42.059 0.542 0.000 0.894 176 L HN 0.191 nan 8.230 nan 0.000 0.432 177 E N -0.486 119.223 120.200 -0.818 0.000 2.110 177 E HA -0.235 4.115 4.350 0.001 0.000 0.193 177 E C 1.991 178.110 176.600 -0.802 0.000 0.988 177 E CA 0.885 56.358 56.400 -1.545 0.000 0.804 177 E CB -0.196 28.610 29.700 -1.490 0.000 0.745 177 E HN 0.283 nan 8.360 nan 0.000 0.458 178 R N 0.677 120.847 120.500 -0.550 0.000 2.307 178 R HA 0.114 4.455 4.340 0.001 0.000 0.199 178 R C 0.319 176.345 176.300 -0.457 0.000 1.000 178 R CA 0.266 56.108 56.100 -0.429 0.000 1.023 178 R CB -0.086 30.015 30.300 -0.333 0.000 0.908 178 R HN 0.324 nan 8.270 nan 0.000 0.473 179 Q N 1.629 121.098 119.800 -0.552 0.000 2.364 179 Q HA 0.141 4.482 4.340 0.001 0.000 0.267 179 Q C -1.851 173.977 176.000 -0.287 0.000 0.999 179 Q CA -1.552 53.951 55.803 -0.499 0.000 0.886 179 Q CB 0.175 28.595 28.738 -0.531 0.000 1.243 179 Q HN 0.126 nan 8.270 nan 0.000 0.415 180 P HA 0.135 nan 4.420 nan 0.000 0.271 180 P C -0.668 176.558 177.300 -0.123 0.000 1.233 180 P CA -0.226 62.795 63.100 -0.132 0.000 0.789 180 P CB 0.723 32.365 31.700 -0.097 0.000 0.951 181 V N 0.722 120.582 119.914 -0.090 0.000 2.638 181 V HA 0.534 4.655 4.120 0.001 0.000 0.306 181 V C 0.462 176.468 176.094 -0.145 0.000 1.052 181 V CA -0.175 62.015 62.300 -0.182 0.000 0.885 181 V CB 1.981 33.704 31.823 -0.168 0.000 0.999 181 V HN 0.986 nan 8.190 nan 0.000 0.424 182 T N 0.638 115.053 114.554 -0.231 0.000 2.804 182 T HA 0.407 4.757 4.350 0.001 0.000 0.290 182 T C 0.911 175.564 174.700 -0.078 0.000 1.099 182 T CA -0.440 61.627 62.100 -0.054 0.000 1.011 182 T CB 1.783 70.642 68.868 -0.014 0.000 1.291 182 T HN 0.457 nan 8.240 nan 0.000 0.523 183 K N 0.261 120.750 120.400 0.148 0.000 2.107 183 K HA -0.253 4.067 4.320 0.001 0.000 0.211 183 K C 1.696 178.326 176.600 0.050 0.000 1.049 183 K CA 2.333 58.731 56.287 0.186 0.000 0.927 183 K CB -0.448 32.136 32.500 0.140 0.000 0.714 183 K HN 0.516 nan 8.250 nan 0.000 0.452 184 N N -0.056 118.619 118.700 -0.041 0.000 2.223 184 N HA -0.108 4.633 4.740 0.001 0.000 0.185 184 N C 1.347 176.728 175.510 -0.214 0.000 1.016 184 N CA 1.718 54.712 53.050 -0.093 0.000 0.863 184 N CB -0.530 37.908 38.487 -0.081 0.000 0.983 184 N HN 0.279 nan 8.380 nan 0.000 0.429 185 T N -0.399 113.901 114.554 -0.424 0.000 2.929 185 T HA -0.036 4.315 4.350 0.001 0.000 0.271 185 T C 0.342 174.471 174.700 -0.951 0.000 1.085 185 T CA 1.014 62.636 62.100 -0.796 0.000 1.125 185 T CB -0.243 67.865 68.868 -1.265 0.000 0.874 185 T HN 0.078 nan 8.240 nan 0.000 0.494 186 F N -0.132 119.705 119.950 -0.188 0.000 2.631 186 F HA 0.594 5.121 4.527 0.000 0.000 0.328 186 F C 0.475 176.210 175.800 -0.109 0.000 1.067 186 F CA -1.605 56.313 58.000 -0.137 0.000 0.969 186 F CB 1.523 40.443 39.000 -0.133 0.000 1.332 186 F HN -0.450 nan 8.300 nan 0.000 0.490 187 R N 0.878 121.434 120.500 0.094 0.000 2.604 187 R HA 0.437 4.777 4.340 0.001 0.000 0.287 187 R C -0.630 175.529 176.300 -0.234 0.000 0.970 187 R CA -1.093 54.934 56.100 -0.121 0.000 0.946 187 R CB 1.508 31.670 30.300 -0.231 0.000 1.127 187 R HN 0.519 nan 8.270 nan 0.000 0.473 188 Q N 1.236 120.849 119.800 -0.313 0.000 2.185 188 Q HA 0.407 4.747 4.340 0.001 0.000 0.225 188 Q C -0.670 174.983 176.000 -0.578 0.000 0.983 188 Q CA -0.147 55.495 55.803 -0.267 0.000 0.950 188 Q CB 1.248 29.926 28.738 -0.099 0.000 1.176 188 Q HN 0.539 nan 8.270 nan 0.000 0.510 189 Y N -1.471 118.851 120.300 0.037 0.000 2.967 189 Y HA 0.274 4.825 4.550 0.001 0.000 0.311 189 Y C -0.308 175.604 175.900 0.019 0.000 1.555 189 Y CA -1.526 56.590 58.100 0.026 0.000 1.084 189 Y CB 0.734 39.207 38.460 0.023 0.000 1.508 189 Y HN 0.483 nan 8.280 nan 0.000 0.457 190 R N 1.017 121.654 120.500 0.229 0.000 2.698 190 R HA 0.385 4.726 4.340 0.001 0.000 0.266 190 R C -0.602 175.751 176.300 0.088 0.000 1.026 190 R CA -0.450 55.718 56.100 0.112 0.000 1.102 190 R CB -0.342 30.000 30.300 0.071 0.000 0.978 190 R HN 0.393 nan 8.270 nan 0.000 0.436 191 V N 0.886 120.835 119.914 0.057 0.000 3.003 191 V HA 0.208 4.328 4.120 0.001 0.000 0.305 191 V C 0.720 176.830 176.094 0.026 0.000 1.078 191 V CA -0.501 61.825 62.300 0.044 0.000 1.083 191 V CB 0.548 32.393 31.823 0.037 0.000 1.039 191 V HN 0.842 nan 8.190 nan 0.000 0.481 192 L N 1.862 123.098 121.223 0.022 0.000 2.878 192 L HA 0.698 5.039 4.340 0.001 0.000 0.253 192 L C 0.903 177.772 176.870 -0.001 0.000 1.135 192 L CA 0.848 55.688 54.840 0.001 0.000 0.943 192 L CB 0.717 42.778 42.059 0.004 0.000 1.307 192 L HN 1.124 nan 8.230 nan 0.000 0.545 193 G N 0.051 108.860 108.800 0.015 0.000 2.404 193 G HA2 0.119 4.080 3.960 0.001 0.000 0.298 193 G HA3 0.119 4.080 3.960 0.001 0.000 0.298 193 G C -1.868 173.046 174.900 0.024 0.000 1.577 193 G CA -0.755 44.356 45.100 0.018 0.000 0.847 193 G HN -0.203 nan 8.290 nan 0.000 0.598 194 K N 0.892 121.305 120.400 0.022 0.000 2.285 194 K HA 0.539 4.859 4.320 0.001 0.000 0.286 194 K C 0.900 177.503 176.600 0.004 0.000 1.072 194 K CA 0.100 56.398 56.287 0.019 0.000 0.913 194 K CB 0.565 33.079 32.500 0.024 0.000 1.067 194 K HN 0.693 nan 8.250 nan 0.000 0.479 195 G N 2.208 111.011 108.800 0.005 0.000 2.510 195 G HA2 0.215 4.175 3.960 0.001 0.000 0.280 195 G HA3 0.215 4.175 3.960 0.001 0.000 0.280 195 G C 0.906 175.756 174.900 -0.083 0.000 1.386 195 G CA -0.166 44.930 45.100 -0.007 0.000 1.047 195 G HN 0.711 nan 8.290 nan 0.000 0.527 196 G N -1.020 107.698 108.800 -0.136 0.000 2.418 196 G HA2 -0.056 3.904 3.960 0.001 0.000 0.217 196 G HA3 -0.056 3.904 3.960 0.001 0.000 0.217 196 G C 0.734 175.195 174.900 -0.730 0.000 1.158 196 G CA 0.634 45.453 45.100 -0.468 0.000 0.771 196 G HN 0.362 nan 8.290 nan 0.000 0.545 197 F N 0.292 120.234 119.950 -0.014 0.000 2.791 197 F HA 0.540 5.067 4.527 0.001 0.000 0.316 197 F C 0.944 176.735 175.800 -0.015 0.000 1.134 197 F CA 0.001 57.987 58.000 -0.023 0.000 1.222 197 F CB 1.289 40.274 39.000 -0.025 0.000 1.034 197 F HN 0.415 nan 8.300 nan 0.000 0.516 198 G N -0.043 108.813 108.800 0.094 0.000 2.350 198 G HA2 0.105 4.065 3.960 0.001 0.000 0.276 198 G HA3 0.105 4.065 3.960 0.001 0.000 0.276 198 G C -1.451 173.479 174.900 0.051 0.000 1.313 198 G CA -1.130 44.012 45.100 0.071 0.000 0.903 198 G HN 0.002 nan 8.290 nan 0.000 0.490 199 E N -0.957 119.270 120.200 0.045 0.000 2.373 199 E HA 0.462 4.812 4.350 0.001 0.000 0.263 199 E C -0.575 176.050 176.600 0.042 0.000 1.073 199 E CA -0.430 55.993 56.400 0.040 0.000 0.894 199 E CB 2.136 31.858 29.700 0.036 0.000 1.008 199 E HN 0.289 nan 8.360 nan 0.000 0.420 200 V N 2.818 122.756 119.914 0.041 0.000 2.349 200 V HA 0.208 4.328 4.120 0.001 0.000 0.284 200 V C -0.119 176.003 176.094 0.046 0.000 1.014 200 V CA -0.790 61.538 62.300 0.046 0.000 0.826 200 V CB 0.404 32.256 31.823 0.048 0.000 1.009 200 V HN 0.882 nan 8.190 nan 0.000 0.431 201 C N 3.063 122.395 119.300 0.053 0.000 2.614 201 C HA 0.978 5.438 4.460 0.001 0.000 0.320 201 C C 0.601 175.648 174.990 0.096 0.000 1.200 201 C CA -0.862 58.199 59.018 0.071 0.000 1.700 201 C CB 1.035 28.820 27.740 0.075 0.000 2.275 201 C HN 1.008 nan 8.230 nan 0.000 0.492 202 A N 1.180 124.076 122.820 0.126 0.000 2.386 202 A HA 0.743 5.063 4.320 0.001 0.000 0.248 202 A C 0.466 178.239 177.584 0.315 0.000 1.082 202 A CA 0.427 52.559 52.037 0.159 0.000 0.789 202 A CB -0.287 18.759 19.000 0.077 0.000 1.025 202 A HN 2.460 nan 8.150 nan 0.000 0.490 203 C N 0.038 119.528 119.300 0.316 0.000 3.321 203 C HA 0.836 5.296 4.460 0.001 0.000 0.329 203 C C -1.051 174.172 174.990 0.389 0.000 1.394 203 C CA -0.640 58.593 59.018 0.358 0.000 1.291 203 C CB 0.809 28.606 27.740 0.096 0.000 1.606 203 C HN 1.068 nan 8.230 nan 0.000 0.463 204 Q N 0.763 120.798 119.800 0.392 0.000 2.347 204 Q HA 0.675 5.015 4.340 0.001 0.000 0.271 204 Q C -1.293 174.938 176.000 0.385 0.000 1.064 204 Q CA -0.541 55.485 55.803 0.373 0.000 0.800 204 Q CB 2.352 31.303 28.738 0.354 0.000 1.304 204 Q HN 0.798 nan 8.270 nan 0.000 0.438 205 V N 4.939 125.066 119.914 0.355 0.000 2.470 205 V HA 0.104 4.225 4.120 0.001 0.000 0.276 205 V C 1.266 177.386 176.094 0.044 0.000 1.040 205 V CA 0.269 62.672 62.300 0.173 0.000 1.008 205 V CB 0.887 32.819 31.823 0.180 0.000 0.990 205 V HN 0.851 nan 8.190 nan 0.000 0.477 206 R N 3.505 123.969 120.500 -0.060 0.000 2.083 206 R HA -0.166 4.174 4.340 0.001 0.000 0.237 206 R C 2.258 178.552 176.300 -0.011 0.000 1.137 206 R CA 1.708 57.788 56.100 -0.034 0.000 0.951 206 R CB -0.282 29.976 30.300 -0.071 0.000 0.851 206 R HN 0.858 nan 8.270 nan 0.000 0.434 207 A N 0.210 123.024 122.820 -0.011 0.000 1.855 207 A HA -0.157 4.163 4.320 0.001 0.000 0.215 207 A C 2.228 179.797 177.584 -0.024 0.000 1.191 207 A CA 2.069 54.145 52.037 0.066 0.000 0.613 207 A CB -0.843 18.222 19.000 0.107 0.000 0.829 207 A HN 0.512 nan 8.150 nan 0.000 0.442 208 T N -4.942 109.587 114.554 -0.041 0.000 3.035 208 T HA 0.397 4.747 4.350 0.001 0.000 0.259 208 T C 1.567 176.180 174.700 -0.144 0.000 1.078 208 T CA 1.231 63.266 62.100 -0.109 0.000 1.132 208 T CB 0.224 69.060 68.868 -0.053 0.000 0.900 208 T HN 1.752 nan 8.240 nan 0.000 0.480 209 G N 1.369 110.127 108.800 -0.069 0.000 2.234 209 G HA2 -0.260 3.701 3.960 0.001 0.000 0.235 209 G HA3 -0.260 3.701 3.960 0.001 0.000 0.235 209 G C 0.062 174.960 174.900 -0.002 0.000 0.997 209 G CA 0.192 45.261 45.100 -0.053 0.000 0.623 209 G HN 0.806 nan 8.290 nan 0.000 0.514 210 K N 1.087 121.501 120.400 0.023 0.000 2.355 210 K HA 0.454 4.774 4.320 0.001 0.000 0.270 210 K C 0.979 177.586 176.600 0.012 0.000 1.003 210 K CA -0.283 55.990 56.287 -0.022 0.000 0.957 210 K CB 0.078 32.546 32.500 -0.053 0.000 0.939 210 K HN 0.179 nan 8.250 nan 0.000 0.482 211 M N 3.422 122.941 119.600 -0.135 0.000 2.274 211 M HA 0.256 4.736 4.480 0.001 0.000 0.344 211 M C -0.833 175.302 176.300 -0.276 0.000 1.161 211 M CA -0.044 55.208 55.300 -0.081 0.000 1.126 211 M CB 0.666 33.211 32.600 -0.091 0.000 1.522 211 M HN 0.546 nan 8.290 nan 0.000 0.461 212 Y N -0.661 119.690 120.300 0.085 0.000 2.581 212 Y HA 0.550 5.100 4.550 0.001 0.000 0.337 212 Y C -0.356 175.575 175.900 0.051 0.000 1.108 212 Y CA -1.148 56.997 58.100 0.075 0.000 1.033 212 Y CB 1.785 40.307 38.460 0.104 0.000 1.318 212 Y HN 0.742 nan 8.280 nan 0.000 0.459 213 A N 0.868 123.824 122.820 0.228 0.000 2.309 213 A HA 0.544 4.864 4.320 0.001 0.000 0.298 213 A C -0.928 176.720 177.584 0.107 0.000 1.165 213 A CA -0.440 51.679 52.037 0.136 0.000 0.821 213 A CB 0.403 19.466 19.000 0.103 0.000 1.102 213 A HN 0.830 nan 8.150 nan 0.000 0.500 214 C N 3.758 123.093 119.300 0.059 0.000 2.258 214 C HA 0.533 4.993 4.460 0.001 0.000 0.321 214 C C 0.323 175.331 174.990 0.030 0.000 1.168 214 C CA -0.757 58.268 59.018 0.013 0.000 1.531 214 C CB -1.040 26.671 27.740 -0.048 0.000 2.095 214 C HN 0.870 nan 8.230 nan 0.000 0.449 215 K N 5.200 125.627 120.400 0.045 0.000 2.316 215 K HA 0.261 4.582 4.320 0.001 0.000 0.289 215 K C -0.159 176.461 176.600 0.034 0.000 1.070 215 K CA 0.215 56.536 56.287 0.056 0.000 0.928 215 K CB 0.291 32.842 32.500 0.085 0.000 1.039 215 K HN 0.680 nan 8.250 nan 0.000 0.480 216 K N 4.810 125.226 120.400 0.026 0.000 2.185 216 K HA 0.347 4.668 4.320 0.001 0.000 0.269 216 K C -0.775 175.843 176.600 0.030 0.000 0.987 216 K CA -0.538 55.746 56.287 -0.005 0.000 0.865 216 K CB 1.111 33.604 32.500 -0.012 0.000 1.090 216 K HN 0.458 nan 8.250 nan 0.000 0.450 217 L N 3.560 124.778 121.223 -0.008 0.000 2.342 217 L HA 0.305 4.646 4.340 0.001 0.000 0.276 217 L C -0.144 176.702 176.870 -0.040 0.000 0.997 217 L CA -0.699 54.152 54.840 0.019 0.000 0.838 217 L CB 1.433 43.460 42.059 -0.054 0.000 1.224 217 L HN 0.524 nan 8.230 nan 0.000 0.416 218 E N 3.051 123.267 120.200 0.026 0.000 2.351 218 E HA 0.032 4.382 4.350 0.001 0.000 0.266 218 E C 0.285 176.873 176.600 -0.020 0.000 1.031 218 E CA -0.157 56.244 56.400 0.000 0.000 0.911 218 E CB 1.430 31.155 29.700 0.042 0.000 0.986 218 E HN 0.482 nan 8.360 nan 0.000 0.446 219 K N 2.791 123.158 120.400 -0.055 0.000 2.074 219 K HA -0.220 4.100 4.320 0.001 0.000 0.209 219 K C 1.646 178.265 176.600 0.031 0.000 1.048 219 K CA 1.509 57.782 56.287 -0.024 0.000 0.926 219 K CB 0.022 32.480 32.500 -0.070 0.000 0.713 219 K HN 0.298 nan 8.250 nan 0.000 0.444 220 K N 0.448 120.865 120.400 0.028 0.000 2.025 220 K HA -0.075 4.245 4.320 0.001 0.000 0.207 220 K C 2.152 178.775 176.600 0.040 0.000 1.049 220 K CA 1.050 57.359 56.287 0.037 0.000 0.933 220 K CB -0.077 32.446 32.500 0.038 0.000 0.714 220 K HN 0.085 nan 8.250 nan 0.000 0.438 221 R N 0.702 121.238 120.500 0.059 0.000 2.170 221 R HA -0.121 4.220 4.340 0.001 0.000 0.242 221 R C 2.222 178.591 176.300 0.115 0.000 1.145 221 R CA 1.213 57.374 56.100 0.103 0.000 0.984 221 R CB -0.397 29.994 30.300 0.152 0.000 0.869 221 R HN 0.279 nan 8.270 nan 0.000 0.455 222 I N 0.324 120.901 120.570 0.012 0.000 2.286 222 I HA -0.224 3.947 4.170 0.001 0.000 0.245 222 I C 2.545 178.600 176.117 -0.103 0.000 1.104 222 I CA 1.066 62.287 61.300 -0.131 0.000 1.397 222 I CB -0.196 37.666 38.000 -0.229 0.000 1.072 222 I HN 0.076 nan 8.210 nan 0.000 0.417 223 K N 1.270 121.632 120.400 -0.064 0.000 2.148 223 K HA -0.201 4.120 4.320 0.001 0.000 0.204 223 K C 2.198 178.774 176.600 -0.040 0.000 1.050 223 K CA 1.197 57.441 56.287 -0.073 0.000 0.942 223 K CB 0.088 32.561 32.500 -0.045 0.000 0.724 223 K HN 0.112 nan 8.250 nan 0.000 0.446 224 K N 0.610 121.008 120.400 -0.004 0.000 1.985 224 K HA -0.118 4.202 4.320 0.001 0.000 0.210 224 K C 1.810 178.417 176.600 0.011 0.000 1.047 224 K CA 1.358 57.651 56.287 0.010 0.000 0.932 224 K CB 0.071 32.588 32.500 0.029 0.000 0.716 224 K HN 0.051 nan 8.250 nan 0.000 0.439 225 R N 0.510 121.034 120.500 0.040 0.000 2.313 225 R HA 0.049 4.389 4.340 0.001 0.000 0.199 225 R C 0.092 176.409 176.300 0.029 0.000 0.958 225 R CA 0.295 56.432 56.100 0.060 0.000 1.047 225 R CB 0.082 30.483 30.300 0.169 0.000 0.955 225 R HN 0.200 nan 8.270 nan 0.000 0.481 226 K N -0.626 119.758 120.400 -0.028 0.000 3.016 226 K HA -0.160 4.160 4.320 0.001 0.000 0.262 226 K C 0.600 177.138 176.600 -0.103 0.000 1.043 226 K CA 0.407 56.643 56.287 -0.084 0.000 0.761 226 K CB -1.429 31.031 32.500 -0.066 0.000 1.230 226 K HN 0.486 nan 8.250 nan 0.000 0.485 227 G N 0.226 108.951 108.800 -0.124 0.000 3.332 227 G HA2 -0.016 3.945 3.960 0.001 0.000 0.242 227 G HA3 -0.016 3.945 3.960 0.001 0.000 0.242 227 G C 0.850 175.594 174.900 -0.259 0.000 1.276 227 G CA -0.009 44.989 45.100 -0.170 0.000 0.988 227 G HN 0.307 nan 8.290 nan 0.000 0.517 228 E N 1.283 121.315 120.200 -0.279 0.000 2.048 228 E HA -0.201 4.149 4.350 0.001 0.000 0.202 228 E C 2.808 179.372 176.600 -0.060 0.000 1.021 228 E CA 1.841 58.021 56.400 -0.367 0.000 0.825 228 E CB -0.278 29.084 29.700 -0.564 0.000 0.756 228 E HN 0.367 nan 8.360 nan 0.000 0.454 229 A N 0.633 123.434 122.820 -0.033 0.000 1.849 229 A HA -0.288 4.032 4.320 0.001 0.000 0.217 229 A C 2.276 179.903 177.584 0.072 0.000 1.202 229 A CA 2.157 54.225 52.037 0.052 0.000 0.629 229 A CB -0.813 18.208 19.000 0.034 0.000 0.834 229 A HN 0.275 nan 8.150 nan 0.000 0.447 230 M N -0.853 118.772 119.600 0.041 0.000 2.146 230 M HA -0.309 4.171 4.480 0.001 0.000 0.256 230 M C 2.334 178.674 176.300 0.067 0.000 1.075 230 M CA 1.669 57.014 55.300 0.075 0.000 1.082 230 M CB -0.516 32.155 32.600 0.119 0.000 1.355 230 M HN 0.594 nan 8.290 nan 0.000 0.402 231 A N 0.156 122.971 122.820 -0.008 0.000 1.823 231 A HA -0.184 4.136 4.320 0.001 0.000 0.214 231 A C 1.954 179.677 177.584 0.232 0.000 1.225 231 A CA 1.444 53.504 52.037 0.038 0.000 0.604 231 A CB -1.185 17.776 19.000 -0.065 0.000 0.878 231 A HN 0.484 nan 8.150 nan 0.000 0.450 232 L N 0.410 121.821 121.223 0.314 0.000 2.085 232 L HA -0.315 4.025 4.340 0.001 0.000 0.218 232 L C 2.140 179.123 176.870 0.189 0.000 1.080 232 L CA 2.815 57.845 54.840 0.316 0.000 0.776 232 L CB -0.592 41.645 42.059 0.298 0.000 0.891 232 L HN 0.584 nan 8.230 nan 0.000 0.437 233 N N -0.076 118.720 118.700 0.161 0.000 2.025 233 N HA -0.287 4.453 4.740 0.001 0.000 0.194 233 N C 1.883 177.469 175.510 0.127 0.000 1.044 233 N CA 1.970 55.096 53.050 0.128 0.000 0.851 233 N CB -0.288 38.273 38.487 0.123 0.000 1.036 233 N HN 0.572 nan 8.380 nan 0.000 0.422 234 E N 0.272 120.560 120.200 0.147 0.000 2.097 234 E HA -0.273 4.077 4.350 0.001 0.000 0.196 234 E C 1.850 178.519 176.600 0.115 0.000 1.000 234 E CA 1.195 57.682 56.400 0.145 0.000 0.804 234 E CB -0.092 29.710 29.700 0.169 0.000 0.740 234 E HN 0.227 nan 8.360 nan 0.000 0.454 235 K N 0.572 121.046 120.400 0.122 0.000 1.969 235 K HA -0.242 4.078 4.320 0.001 0.000 0.216 235 K C 2.156 178.753 176.600 -0.005 0.000 1.048 235 K CA 2.070 58.374 56.287 0.028 0.000 0.948 235 K CB -0.352 32.112 32.500 -0.060 0.000 0.726 235 K HN 0.256 nan 8.250 nan 0.000 0.442 236 Q N 0.121 119.924 119.800 0.007 0.000 2.197 236 Q HA -0.156 4.184 4.340 0.001 0.000 0.207 236 Q C 2.235 178.239 176.000 0.007 0.000 0.984 236 Q CA 1.640 57.439 55.803 -0.008 0.000 0.869 236 Q CB -0.138 28.606 28.738 0.010 0.000 0.906 236 Q HN 0.425 nan 8.270 nan 0.000 0.426 237 I N 0.119 120.713 120.570 0.039 0.000 2.141 237 I HA -0.275 3.895 4.170 0.001 0.000 0.236 237 I C 2.189 178.322 176.117 0.028 0.000 1.071 237 I CA 0.855 62.184 61.300 0.048 0.000 1.345 237 I CB -0.338 37.714 38.000 0.086 0.000 1.066 237 I HN 0.153 nan 8.210 nan 0.000 0.406 238 L N 0.682 121.924 121.223 0.033 0.000 2.089 238 L HA -0.306 4.035 4.340 0.001 0.000 0.213 238 L C 2.633 179.498 176.870 -0.009 0.000 1.079 238 L CA 1.651 56.501 54.840 0.017 0.000 0.758 238 L CB -0.574 41.502 42.059 0.029 0.000 0.891 238 L HN 0.378 nan 8.230 nan 0.000 0.433 239 E N 0.209 120.395 120.200 -0.024 0.000 2.038 239 E HA -0.286 4.065 4.350 0.001 0.000 0.195 239 E C 2.273 178.850 176.600 -0.038 0.000 1.000 239 E CA 1.493 57.865 56.400 -0.046 0.000 0.803 239 E CB 0.041 29.700 29.700 -0.067 0.000 0.750 239 E HN 0.294 nan 8.360 nan 0.000 0.448 240 K N 0.173 120.557 120.400 -0.026 0.000 2.103 240 K HA -0.006 4.315 4.320 0.001 0.000 0.204 240 K C 0.162 176.750 176.600 -0.020 0.000 1.052 240 K CA 0.377 56.650 56.287 -0.024 0.000 0.945 240 K CB 0.208 32.698 32.500 -0.016 0.000 0.722 240 K HN 0.019 nan 8.250 nan 0.000 0.443 241 V N 2.973 122.878 119.914 -0.014 0.000 2.529 241 V HA -0.067 4.053 4.120 0.001 0.000 0.292 241 V C 0.247 176.321 176.094 -0.034 0.000 1.028 241 V CA 0.242 62.531 62.300 -0.018 0.000 1.074 241 V CB 0.769 32.584 31.823 -0.014 0.000 0.958 241 V HN 0.297 nan 8.190 nan 0.000 0.481 242 N N 3.084 121.758 118.700 -0.042 0.000 2.644 242 N HA 0.141 4.882 4.740 0.001 0.000 0.313 242 N C -0.056 175.406 175.510 -0.080 0.000 1.863 242 N CA -0.129 52.885 53.050 -0.058 0.000 0.918 242 N CB 0.664 39.118 38.487 -0.055 0.000 1.320 242 N HN 0.763 nan 8.380 nan 0.000 0.490 243 S N -0.719 114.928 115.700 -0.089 0.000 2.672 243 S HA 0.344 4.815 4.470 0.001 0.000 0.276 243 S C 1.132 175.601 174.600 -0.219 0.000 1.207 243 S CA -0.711 57.414 58.200 -0.126 0.000 1.002 243 S CB 2.048 65.202 63.200 -0.078 0.000 0.998 243 S HN 0.396 nan 8.310 nan 0.000 0.542 244 R N -0.359 119.899 120.500 -0.402 0.000 2.236 244 R HA 0.135 4.475 4.340 0.001 0.000 0.208 244 R C -0.071 175.770 176.300 -0.765 0.000 1.036 244 R CA 0.893 56.581 56.100 -0.686 0.000 1.001 244 R CB -0.164 29.507 30.300 -1.049 0.000 0.896 244 R HN 0.751 nan 8.270 nan 0.000 0.464 245 F N -0.795 119.090 119.950 -0.108 0.000 2.683 245 F HA 0.283 4.810 4.527 0.000 0.000 0.306 245 F C -0.328 175.395 175.800 -0.127 0.000 1.102 245 F CA -0.430 57.502 58.000 -0.114 0.000 1.244 245 F CB 1.046 39.972 39.000 -0.123 0.000 1.029 245 F HN -0.305 nan 8.300 nan 0.000 0.545 246 V N 1.335 121.242 119.914 -0.012 0.000 2.604 246 V HA 0.400 4.521 4.120 0.001 0.000 0.305 246 V C -0.003 176.069 176.094 -0.037 0.000 1.043 246 V CA -1.653 60.620 62.300 -0.046 0.000 0.888 246 V CB 2.135 33.914 31.823 -0.074 0.000 0.995 246 V HN -0.033 nan 8.190 nan 0.000 0.429 247 V N 2.534 122.438 119.914 -0.016 0.000 2.617 247 V HA 0.358 4.478 4.120 0.001 0.000 0.304 247 V C 0.635 176.735 176.094 0.009 0.000 1.040 247 V CA 0.111 62.415 62.300 0.007 0.000 1.149 247 V CB 0.510 32.352 31.823 0.033 0.000 0.914 247 V HN 1.057 nan 8.190 nan 0.000 0.487 248 S N 5.395 121.105 115.700 0.017 0.000 2.646 248 S HA 0.711 5.181 4.470 0.001 0.000 0.276 248 S C -0.571 174.058 174.600 0.048 0.000 1.222 248 S CA -0.825 57.385 58.200 0.017 0.000 1.014 248 S CB 1.618 64.820 63.200 0.003 0.000 0.991 248 S HN 1.267 nan 8.310 nan 0.000 0.533 249 L N 1.660 122.894 121.223 0.018 0.000 2.309 249 L HA 0.783 5.123 4.340 0.001 0.000 0.282 249 L C 0.470 177.309 176.870 -0.052 0.000 1.036 249 L CA 0.072 54.917 54.840 0.007 0.000 0.806 249 L CB 1.355 43.408 42.059 -0.010 0.000 1.220 249 L HN 0.939 nan 8.230 nan 0.000 0.429 250 A N 3.665 126.419 122.820 -0.108 0.000 2.074 250 A HA 0.374 4.694 4.320 0.001 0.000 0.200 250 A C -0.408 176.780 177.584 -0.661 0.000 1.335 250 A CA 0.308 52.123 52.037 -0.369 0.000 0.922 250 A CB 0.117 18.828 19.000 -0.482 0.000 0.972 250 A HN 0.626 nan 8.150 nan 0.000 0.475 251 Y N -1.329 118.953 120.300 -0.030 0.000 2.504 251 Y HA 0.625 5.176 4.550 0.000 0.000 0.344 251 Y C -0.190 175.765 175.900 0.092 0.000 1.023 251 Y CA -0.709 57.430 58.100 0.065 0.000 1.020 251 Y CB 2.070 40.630 38.460 0.168 0.000 1.282 251 Y HN 0.164 nan 8.280 nan 0.000 0.454 252 A N 3.631 126.577 122.820 0.209 0.000 2.340 252 A HA 0.770 5.090 4.320 0.001 0.000 0.297 252 A C -1.617 176.084 177.584 0.194 0.000 1.195 252 A CA -0.593 51.472 52.037 0.047 0.000 0.769 252 A CB 0.084 18.880 19.000 -0.341 0.000 1.163 252 A HN 0.786 nan 8.150 nan 0.000 0.472 253 Y N 0.057 120.427 120.300 0.117 0.000 2.728 253 Y HA 0.794 5.345 4.550 0.001 0.000 0.330 253 Y C -0.640 175.359 175.900 0.166 0.000 1.234 253 Y CA -1.159 57.021 58.100 0.133 0.000 1.070 253 Y CB 1.061 39.606 38.460 0.142 0.000 1.300 253 Y HN 0.620 nan 8.280 nan 0.000 0.467 254 E N 0.404 120.653 120.200 0.081 0.000 2.234 254 E HA 0.519 4.869 4.350 0.001 0.000 0.266 254 E C -0.761 175.823 176.600 -0.026 0.000 0.877 254 E CA -0.954 55.390 56.400 -0.094 0.000 0.758 254 E CB 2.344 31.991 29.700 -0.089 0.000 1.170 254 E HN 0.823 nan 8.360 nan 0.000 0.415 255 T N -0.315 114.169 114.554 -0.117 0.000 2.865 255 T HA 0.171 4.521 4.350 0.001 0.000 0.302 255 T C 1.044 175.706 174.700 -0.063 0.000 1.078 255 T CA -0.385 61.700 62.100 -0.026 0.000 0.942 255 T CB 0.962 69.811 68.868 -0.032 0.000 1.387 255 T HN 0.622 nan 8.240 nan 0.000 0.557 256 K N -0.154 120.224 120.400 -0.037 0.000 2.167 256 K HA -0.056 4.264 4.320 0.001 0.000 0.203 256 K C 0.957 177.511 176.600 -0.076 0.000 1.052 256 K CA 1.570 57.829 56.287 -0.046 0.000 0.956 256 K CB -0.198 32.294 32.500 -0.014 0.000 0.735 256 K HN 0.652 nan 8.250 nan 0.000 0.451 257 D N -0.654 119.702 120.400 -0.074 0.000 2.423 257 D HA 0.173 4.814 4.640 0.001 0.000 0.208 257 D C -0.440 175.795 176.300 -0.109 0.000 1.068 257 D CA 0.128 54.085 54.000 -0.071 0.000 0.860 257 D CB 1.194 41.974 40.800 -0.033 0.000 0.992 257 D HN 0.205 nan 8.370 nan 0.000 0.504 258 A N 0.233 122.961 122.820 -0.152 0.000 2.572 258 A HA 0.658 4.978 4.320 0.001 0.000 0.295 258 A C -1.495 175.930 177.584 -0.265 0.000 1.072 258 A CA -0.718 51.211 52.037 -0.180 0.000 0.691 258 A CB 1.006 19.935 19.000 -0.118 0.000 1.291 258 A HN 0.059 nan 8.150 nan 0.000 0.404 259 L N 0.210 121.249 121.223 -0.306 0.000 2.343 259 L HA 0.636 4.976 4.340 0.001 0.000 0.275 259 L C -0.688 176.053 176.870 -0.214 0.000 1.056 259 L CA -0.587 54.047 54.840 -0.343 0.000 0.804 259 L CB 1.410 43.011 42.059 -0.763 0.000 1.203 259 L HN 0.748 nan 8.230 nan 0.000 0.440 260 C N 3.165 122.382 119.300 -0.140 0.000 2.609 260 C HA 0.651 5.111 4.460 0.001 0.000 0.313 260 C C -0.276 174.717 174.990 0.005 0.000 1.175 260 C CA -1.050 57.851 59.018 -0.194 0.000 1.434 260 C CB 1.121 28.494 27.740 -0.611 0.000 2.005 260 C HN 0.586 nan 8.230 nan 0.000 0.471 261 L N 2.227 123.494 121.223 0.073 0.000 2.322 261 L HA 0.728 5.068 4.340 0.001 0.000 0.281 261 L C -0.574 176.347 176.870 0.085 0.000 1.014 261 L CA -0.591 54.313 54.840 0.106 0.000 0.815 261 L CB 1.564 43.698 42.059 0.126 0.000 1.247 261 L HN 0.456 nan 8.230 nan 0.000 0.421 262 V N 4.828 124.803 119.914 0.102 0.000 2.370 262 V HA 0.482 4.603 4.120 0.001 0.000 0.279 262 V C 0.036 176.187 176.094 0.095 0.000 1.029 262 V CA -0.335 62.002 62.300 0.061 0.000 0.870 262 V CB 1.454 33.280 31.823 0.006 0.000 0.984 262 V HN 0.511 nan 8.190 nan 0.000 0.451 263 L N 2.785 124.109 121.223 0.169 0.000 2.341 263 L HA 0.562 4.902 4.340 0.001 0.000 0.267 263 L C 0.488 177.534 176.870 0.294 0.000 1.009 263 L CA -0.809 54.146 54.840 0.191 0.000 0.819 263 L CB 2.142 44.276 42.059 0.124 0.000 1.323 263 L HN 0.501 nan 8.230 nan 0.000 0.425 264 T N 2.417 117.106 114.554 0.225 0.000 2.819 264 T HA 0.014 4.365 4.350 0.001 0.000 0.282 264 T C -0.168 174.581 174.700 0.081 0.000 1.013 264 T CA 0.045 62.224 62.100 0.131 0.000 1.159 264 T CB -0.005 68.898 68.868 0.057 0.000 1.007 264 T HN 0.229 nan 8.240 nan 0.000 0.514 265 L N 4.740 125.971 121.223 0.014 0.000 2.331 265 L HA 0.366 4.706 4.340 0.001 0.000 0.278 265 L C -0.100 176.769 176.870 -0.002 0.000 1.106 265 L CA 0.056 54.902 54.840 0.011 0.000 0.824 265 L CB 0.555 42.602 42.059 -0.020 0.000 1.142 265 L HN 0.549 nan 8.230 nan 0.000 0.443 266 M N 4.796 124.404 119.600 0.014 0.000 2.131 266 M HA 0.292 4.773 4.480 0.001 0.000 0.345 266 M C 0.536 176.845 176.300 0.017 0.000 1.060 266 M CA -0.209 55.099 55.300 0.012 0.000 1.011 266 M CB 0.426 33.037 32.600 0.018 0.000 1.328 266 M HN 0.495 nan 8.290 nan 0.000 0.396 267 N N 1.467 120.175 118.700 0.014 0.000 2.519 267 N HA -0.043 4.698 4.740 0.001 0.000 0.186 267 N C 1.585 177.166 175.510 0.119 0.000 1.062 267 N CA 0.856 53.932 53.050 0.044 0.000 0.910 267 N CB 0.161 38.663 38.487 0.024 0.000 0.958 267 N HN 0.802 nan 8.380 nan 0.000 0.445 268 G N -0.861 107.963 108.800 0.041 0.000 3.042 268 G HA2 0.377 4.338 3.960 0.001 0.000 0.212 268 G HA3 0.377 4.338 3.960 0.001 0.000 0.212 268 G C 0.844 175.764 174.900 0.034 0.000 1.166 268 G CA 0.288 45.359 45.100 -0.048 0.000 0.767 268 G HN 0.504 nan 8.290 nan 0.000 0.546 269 G N 0.922 109.761 108.800 0.065 0.000 2.641 269 G HA2 -0.211 3.749 3.960 0.001 0.000 0.254 269 G HA3 -0.211 3.749 3.960 0.001 0.000 0.254 269 G C -0.169 174.793 174.900 0.103 0.000 1.315 269 G CA 0.008 45.144 45.100 0.059 0.000 0.907 269 G HN 0.666 nan 8.290 nan 0.000 0.572 270 D N -0.448 120.034 120.400 0.138 0.000 2.340 270 D HA 0.392 5.032 4.640 0.001 0.000 0.251 270 D C 1.728 178.205 176.300 0.296 0.000 1.080 270 D CA -0.700 53.402 54.000 0.169 0.000 0.971 270 D CB 1.197 42.076 40.800 0.132 0.000 1.137 270 D HN 0.356 nan 8.370 nan 0.000 0.475 271 L N -0.228 121.148 121.223 0.256 0.000 2.313 271 L HA -0.070 4.270 4.340 0.001 0.000 0.214 271 L C 2.575 179.682 176.870 0.395 0.000 1.119 271 L CA 0.582 55.646 54.840 0.374 0.000 0.809 271 L CB -0.278 41.971 42.059 0.318 0.000 0.933 271 L HN 0.475 nan 8.230 nan 0.000 0.449 272 K N 0.207 120.763 120.400 0.260 0.000 2.103 272 K HA -0.242 4.079 4.320 0.001 0.000 0.207 272 K C 2.099 178.835 176.600 0.226 0.000 1.048 272 K CA 1.580 57.957 56.287 0.149 0.000 0.930 272 K CB -0.103 32.414 32.500 0.029 0.000 0.716 272 K HN 0.117 nan 8.250 nan 0.000 0.444 273 F N 0.567 120.612 119.950 0.159 0.000 2.206 273 F HA -0.176 4.352 4.527 0.000 0.000 0.298 273 F C 2.299 178.258 175.800 0.264 0.000 1.090 273 F CA 1.389 59.486 58.000 0.162 0.000 1.323 273 F CB -0.007 39.038 39.000 0.076 0.000 1.028 273 F HN 0.182 nan 8.300 nan 0.000 0.492 274 H N -0.256 119.105 119.070 0.485 0.000 2.462 274 H HA -0.018 4.538 4.556 0.001 0.000 0.292 274 H C 2.183 177.712 175.328 0.333 0.000 1.049 274 H CA 1.853 58.190 56.048 0.482 0.000 1.334 274 H CB 0.100 30.200 29.762 0.564 0.000 1.404 274 H HN 0.337 nan 8.280 nan 0.000 0.544 275 I N -0.689 120.086 120.570 0.341 0.000 2.364 275 I HA -0.219 3.952 4.170 0.001 0.000 0.241 275 I C 1.969 178.106 176.117 0.033 0.000 1.082 275 I CA 0.630 61.925 61.300 -0.007 0.000 1.401 275 I CB -0.303 37.766 38.000 0.114 0.000 1.126 275 I HN 0.046 nan 8.210 nan 0.000 0.429 276 Y N 0.305 120.555 120.300 -0.084 0.000 2.176 276 Y HA -0.069 4.481 4.550 0.001 0.000 0.291 276 Y C 1.985 177.682 175.900 -0.339 0.000 1.122 276 Y CA 0.848 58.820 58.100 -0.213 0.000 1.128 276 Y CB -0.718 37.604 38.460 -0.229 0.000 1.005 276 Y HN 0.195 nan 8.280 nan 0.000 0.509 277 H N -1.004 117.990 119.070 -0.126 0.000 2.640 277 H HA 0.228 4.785 4.556 0.001 0.000 0.312 277 H C -0.077 175.069 175.328 -0.304 0.000 1.110 277 H CA 0.081 55.922 56.048 -0.345 0.000 1.098 277 H CB -0.019 29.252 29.762 -0.819 0.000 1.485 277 H HN 0.170 nan 8.280 nan 0.000 0.526 278 M N 0.488 120.043 119.600 -0.074 0.000 2.944 278 M HA 0.257 4.737 4.480 0.001 0.000 0.235 278 M C 0.829 177.115 176.300 -0.023 0.000 1.188 278 M CA -0.241 55.049 55.300 -0.016 0.000 0.688 278 M CB 0.028 32.660 32.600 0.053 0.000 1.406 278 M HN 0.459 nan 8.290 nan 0.000 0.479 279 G N 0.964 109.742 108.800 -0.036 0.000 2.601 279 G HA2 -0.319 3.642 3.960 0.001 0.000 0.306 279 G HA3 -0.319 3.642 3.960 0.001 0.000 0.306 279 G C 0.054 174.911 174.900 -0.071 0.000 1.172 279 G CA 0.330 45.406 45.100 -0.040 0.000 0.966 279 G HN 0.670 nan 8.290 nan 0.000 0.542 280 Q N 1.294 121.051 119.800 -0.072 0.000 2.354 280 Q HA 0.559 4.899 4.340 0.001 0.000 0.244 280 Q C 0.594 176.508 176.000 -0.145 0.000 0.969 280 Q CA -0.036 55.707 55.803 -0.101 0.000 0.885 280 Q CB 0.867 29.553 28.738 -0.086 0.000 1.241 280 Q HN 1.235 nan 8.270 nan 0.000 0.461 281 A N 1.895 124.604 122.820 -0.185 0.000 2.409 281 A HA 0.588 4.909 4.320 0.001 0.000 0.262 281 A C 0.300 177.708 177.584 -0.293 0.000 1.113 281 A CA 0.647 52.530 52.037 -0.257 0.000 0.790 281 A CB -0.244 18.584 19.000 -0.286 0.000 1.046 281 A HN 0.997 nan 8.150 nan 0.000 0.496 282 G N 0.520 109.062 108.800 -0.430 0.000 2.707 282 G HA2 0.194 4.154 3.960 0.001 0.000 0.686 282 G HA3 0.194 4.154 3.960 0.001 0.000 0.686 282 G C -0.765 173.810 174.900 -0.542 0.000 1.315 282 G CA -0.515 44.257 45.100 -0.547 0.000 0.832 282 G HN 1.028 nan 8.290 nan 0.000 0.573 283 F N 0.302 120.197 119.950 -0.091 0.000 2.507 283 F HA 0.693 5.220 4.527 0.001 0.000 0.327 283 F C -1.383 174.336 175.800 -0.135 0.000 1.068 283 F CA -2.215 55.712 58.000 -0.122 0.000 0.965 283 F CB 0.834 39.742 39.000 -0.154 0.000 1.192 283 F HN 0.387 nan 8.300 nan 0.000 0.476 284 P HA 0.004 nan 4.420 nan 0.000 0.270 284 P C 0.825 178.116 177.300 -0.016 0.000 1.221 284 P CA -0.006 63.087 63.100 -0.011 0.000 0.788 284 P CB 0.691 32.380 31.700 -0.018 0.000 0.904 285 E N 0.940 121.118 120.200 -0.036 0.000 2.038 285 E HA -0.247 4.103 4.350 0.001 0.000 0.195 285 E C 1.868 178.468 176.600 -0.001 0.000 1.000 285 E CA 1.455 57.842 56.400 -0.022 0.000 0.803 285 E CB -0.490 29.195 29.700 -0.025 0.000 0.750 285 E HN 0.467 nan 8.360 nan 0.000 0.448 286 A N 1.451 124.269 122.820 -0.004 0.000 1.927 286 A HA -0.289 4.031 4.320 0.001 0.000 0.220 286 A C 2.194 179.770 177.584 -0.013 0.000 1.185 286 A CA 2.001 54.046 52.037 0.013 0.000 0.639 286 A CB -0.688 18.314 19.000 0.005 0.000 0.820 286 A HN 0.280 nan 8.150 nan 0.000 0.451 287 R N -0.685 119.748 120.500 -0.111 0.000 2.061 287 R HA -0.014 4.326 4.340 0.001 0.000 0.230 287 R C 2.366 178.415 176.300 -0.418 0.000 1.140 287 R CA 1.411 57.315 56.100 -0.327 0.000 0.940 287 R CB -0.485 29.558 30.300 -0.428 0.000 0.839 287 R HN 0.404 nan 8.270 nan 0.000 0.429 288 A N 0.386 123.079 122.820 -0.210 0.000 2.024 288 A HA -0.101 4.219 4.320 0.001 0.000 0.220 288 A C 2.233 179.860 177.584 0.072 0.000 1.164 288 A CA 1.499 53.507 52.037 -0.049 0.000 0.643 288 A CB -0.475 18.596 19.000 0.118 0.000 0.806 288 A HN 0.266 nan 8.150 nan 0.000 0.451 289 V N -1.446 118.524 119.914 0.093 0.000 2.270 289 V HA -0.235 3.886 4.120 0.001 0.000 0.245 289 V C 2.170 178.409 176.094 0.241 0.000 1.043 289 V CA 2.113 64.539 62.300 0.210 0.000 1.014 289 V CB -0.898 31.042 31.823 0.195 0.000 0.645 289 V HN 0.643 nan 8.190 nan 0.000 0.447 290 F N -0.078 119.885 119.950 0.022 0.000 2.063 290 F HA -0.313 4.214 4.527 0.001 0.000 0.298 290 F C 2.387 178.272 175.800 0.141 0.000 1.109 290 F CA 2.232 60.251 58.000 0.032 0.000 1.212 290 F CB -0.398 38.595 39.000 -0.011 0.000 0.973 290 F HN 0.173 nan 8.300 nan 0.000 0.480 291 Y N 0.337 120.772 120.300 0.226 0.000 2.097 291 Y HA -0.187 4.363 4.550 0.000 0.000 0.282 291 Y C 2.679 178.591 175.900 0.020 0.000 1.152 291 Y CA 0.542 58.705 58.100 0.105 0.000 1.136 291 Y CB -1.885 36.625 38.460 0.083 0.000 0.975 291 Y HN 0.178 nan 8.280 nan 0.000 0.498 292 A N 0.503 123.483 122.820 0.267 0.000 1.915 292 A HA -0.272 4.049 4.320 0.001 0.000 0.220 292 A C 2.587 180.230 177.584 0.098 0.000 1.198 292 A CA 2.913 55.086 52.037 0.227 0.000 0.647 292 A CB -1.330 17.867 19.000 0.329 0.000 0.825 292 A HN 0.437 nan 8.150 nan 0.000 0.456 293 A N -0.895 121.904 122.820 -0.034 0.000 1.902 293 A HA -0.170 4.150 4.320 0.001 0.000 0.217 293 A C 1.976 179.298 177.584 -0.437 0.000 1.181 293 A CA 1.681 53.492 52.037 -0.377 0.000 0.623 293 A CB -0.510 18.060 19.000 -0.717 0.000 0.818 293 A HN 0.670 nan 8.150 nan 0.000 0.443 294 E N -0.308 119.607 120.200 -0.474 0.000 2.007 294 E HA -0.185 4.166 4.350 0.001 0.000 0.194 294 E C 1.917 178.180 176.600 -0.563 0.000 0.999 294 E CA 1.444 57.418 56.400 -0.710 0.000 0.811 294 E CB -0.391 28.979 29.700 -0.549 0.000 0.762 294 E HN 0.665 nan 8.360 nan 0.000 0.450 295 I N 1.258 121.664 120.570 -0.274 0.000 2.229 295 I HA -0.407 3.763 4.170 0.001 0.000 0.250 295 I C 2.859 178.875 176.117 -0.167 0.000 1.096 295 I CA 0.883 62.082 61.300 -0.168 0.000 1.358 295 I CB -0.549 37.436 38.000 -0.025 0.000 1.047 295 I HN 0.334 nan 8.210 nan 0.000 0.422 296 C N 1.001 120.243 119.300 -0.096 0.000 2.386 296 C HA -0.270 4.191 4.460 0.001 0.000 0.279 296 C C 3.249 178.199 174.990 -0.068 0.000 1.208 296 C CA 1.585 60.614 59.018 0.020 0.000 1.747 296 C CB -1.061 26.770 27.740 0.152 0.000 2.046 296 C HN 0.721 nan 8.230 nan 0.000 0.453 297 C N 1.087 120.299 119.300 -0.146 0.000 2.401 297 C HA 0.016 4.476 4.460 0.001 0.000 0.276 297 C C 2.899 177.853 174.990 -0.060 0.000 1.233 297 C CA 1.110 60.074 59.018 -0.091 0.000 1.753 297 C CB -2.109 25.525 27.740 -0.176 0.000 2.029 297 C HN 0.840 nan 8.230 nan 0.000 0.478 298 G N 0.834 109.547 108.800 -0.146 0.000 2.459 298 G HA2 -0.201 3.759 3.960 0.001 0.000 0.217 298 G HA3 -0.201 3.759 3.960 0.001 0.000 0.217 298 G C 1.546 176.306 174.900 -0.233 0.000 1.183 298 G CA 0.931 45.988 45.100 -0.070 0.000 0.776 298 G HN 0.546 nan 8.290 nan 0.000 0.552 299 L N 0.127 121.131 121.223 -0.364 0.000 2.042 299 L HA -0.092 4.249 4.340 0.001 0.000 0.210 299 L C 2.791 179.202 176.870 -0.766 0.000 1.076 299 L CA 1.619 56.046 54.840 -0.688 0.000 0.749 299 L CB -0.395 41.187 42.059 -0.796 0.000 0.893 299 L HN 0.344 nan 8.230 nan 0.000 0.432 300 E N 0.362 120.360 120.200 -0.337 0.000 2.058 300 E HA -0.276 4.075 4.350 0.001 0.000 0.194 300 E C 1.675 178.193 176.600 -0.137 0.000 0.997 300 E CA 1.952 58.280 56.400 -0.119 0.000 0.801 300 E CB 0.035 29.763 29.700 0.047 0.000 0.746 300 E HN 0.459 nan 8.360 nan 0.000 0.450 301 D N 0.381 120.716 120.400 -0.108 0.000 2.106 301 D HA -0.182 4.458 4.640 0.001 0.000 0.191 301 D C 2.088 178.325 176.300 -0.105 0.000 0.997 301 D CA 1.126 55.085 54.000 -0.068 0.000 0.834 301 D CB -0.256 40.528 40.800 -0.026 0.000 0.956 301 D HN 0.186 nan 8.370 nan 0.000 0.448 302 L N -0.362 120.746 121.223 -0.192 0.000 2.046 302 L HA -0.189 4.151 4.340 0.001 0.000 0.208 302 L C 2.247 179.078 176.870 -0.066 0.000 1.077 302 L CA 1.445 56.200 54.840 -0.142 0.000 0.747 302 L CB -0.494 41.438 42.059 -0.212 0.000 0.896 302 L HN 0.266 nan 8.230 nan 0.000 0.432 303 H N -1.380 117.549 119.070 -0.236 0.000 2.395 303 H HA -0.111 4.446 4.556 0.001 0.000 0.299 303 H C 2.338 177.434 175.328 -0.386 0.000 1.070 303 H CA 0.639 56.343 56.048 -0.573 0.000 1.356 303 H CB 0.106 29.274 29.762 -0.991 0.000 1.401 303 H HN 0.157 nan 8.280 nan 0.000 0.524 304 R N 1.052 121.498 120.500 -0.089 0.000 2.200 304 R HA -0.120 4.220 4.340 0.001 0.000 0.234 304 R C 1.222 177.538 176.300 0.026 0.000 1.127 304 R CA 1.099 57.184 56.100 -0.024 0.000 0.989 304 R CB 0.190 30.484 30.300 -0.010 0.000 0.869 304 R HN 0.329 nan 8.270 nan 0.000 0.459 305 E N 0.308 120.532 120.200 0.041 0.000 2.479 305 E HA 0.017 4.367 4.350 0.001 0.000 0.193 305 E C -0.193 176.517 176.600 0.183 0.000 1.049 305 E CA 0.018 56.476 56.400 0.097 0.000 0.870 305 E CB 0.521 30.269 29.700 0.080 0.000 0.944 305 E HN 0.147 nan 8.360 nan 0.000 0.492 306 R N -0.242 120.376 120.500 0.196 0.000 3.418 306 R HA -0.161 4.179 4.340 0.001 0.000 0.274 306 R C -0.391 176.105 176.300 0.326 0.000 1.108 306 R CA 0.480 56.763 56.100 0.304 0.000 0.741 306 R CB -2.786 27.642 30.300 0.214 0.000 1.223 306 R HN 0.220 nan 8.270 nan 0.000 0.434 307 I N -0.511 120.282 120.570 0.372 0.000 2.582 307 I HA 0.363 4.533 4.170 0.001 0.000 0.292 307 I C -0.130 176.278 176.117 0.485 0.000 1.066 307 I CA -1.079 60.434 61.300 0.355 0.000 1.053 307 I CB 2.794 40.948 38.000 0.258 0.000 1.241 307 I HN -0.136 nan 8.210 nan 0.000 0.421 308 V N 6.591 126.762 119.914 0.428 0.000 2.417 308 V HA 0.220 4.340 4.120 0.001 0.000 0.291 308 V C 0.155 176.480 176.094 0.385 0.000 1.024 308 V CA -0.055 62.525 62.300 0.466 0.000 0.861 308 V CB 1.490 33.524 31.823 0.352 0.000 0.985 308 V HN 0.736 nan 8.190 nan 0.000 0.436 309 Y N 6.485 126.917 120.300 0.220 0.000 2.200 309 Y HA 0.003 4.553 4.550 0.001 0.000 0.290 309 Y C 2.009 177.976 175.900 0.113 0.000 1.137 309 Y CA 1.860 60.035 58.100 0.126 0.000 1.163 309 Y CB -0.045 38.454 38.460 0.065 0.000 0.988 309 Y HN 0.822 nan 8.280 nan 0.000 0.518 310 R N -0.307 120.220 120.500 0.045 0.000 4.010 310 R HA -0.247 4.093 4.340 0.001 0.000 0.409 310 R C -0.542 175.614 176.300 -0.241 0.000 1.120 310 R CA 1.269 57.330 56.100 -0.066 0.000 1.244 310 R CB -2.045 28.267 30.300 0.020 0.000 1.799 310 R HN 0.411 nan 8.270 nan 0.000 0.559 311 D N 0.104 120.134 120.400 -0.617 0.000 3.256 311 D HA 0.147 4.787 4.640 0.001 0.000 0.332 311 D C -1.248 174.651 176.300 -0.669 0.000 1.327 311 D CA -0.395 53.260 54.000 -0.576 0.000 0.735 311 D CB 0.298 40.814 40.800 -0.473 0.000 1.280 311 D HN 0.043 nan 8.370 nan 0.000 0.572 312 L N 2.396 123.437 121.223 -0.303 0.000 2.313 312 L HA 0.463 4.803 4.340 0.001 0.000 0.282 312 L C -0.376 176.433 176.870 -0.101 0.000 1.092 312 L CA 0.572 55.428 54.840 0.026 0.000 0.831 312 L CB -0.049 42.131 42.059 0.201 0.000 1.159 312 L HN 0.231 nan 8.230 nan 0.000 0.442 313 K N 3.124 123.432 120.400 -0.153 0.000 2.610 313 K HA 0.449 4.769 4.320 0.001 0.000 0.278 313 K C -2.819 173.679 176.600 -0.170 0.000 0.964 313 K CA -1.521 54.504 56.287 -0.438 0.000 0.859 313 K CB 0.760 32.781 32.500 -0.797 0.000 1.434 313 K HN 0.009 nan 8.250 nan 0.000 0.410 314 P HA -0.302 nan 4.420 nan 0.000 0.216 314 P C 0.838 178.169 177.300 0.052 0.000 1.154 314 P CA 1.667 64.798 63.100 0.051 0.000 0.865 314 P CB 0.077 31.846 31.700 0.114 0.000 0.789 315 E N -1.070 119.131 120.200 0.001 0.000 2.333 315 E HA -0.155 4.195 4.350 0.001 0.000 0.198 315 E C 0.733 177.357 176.600 0.041 0.000 1.007 315 E CA 1.110 57.525 56.400 0.025 0.000 0.845 315 E CB -1.030 28.669 29.700 -0.003 0.000 0.766 315 E HN 0.288 nan 8.360 nan 0.000 0.507 316 N N 0.340 119.066 118.700 0.043 0.000 2.230 316 N HA 0.154 4.894 4.740 0.001 0.000 0.202 316 N C -0.306 175.273 175.510 0.115 0.000 1.119 316 N CA -0.001 53.110 53.050 0.102 0.000 0.851 316 N CB 0.704 39.282 38.487 0.153 0.000 0.990 316 N HN 0.126 nan 8.380 nan 0.000 0.497 317 I N 1.591 122.209 120.570 0.080 0.000 2.412 317 I HA 0.403 4.573 4.170 0.001 0.000 0.296 317 I C -0.037 176.100 176.117 0.034 0.000 0.987 317 I CA -0.582 60.748 61.300 0.050 0.000 1.180 317 I CB 1.387 39.417 38.000 0.049 0.000 1.340 317 I HN -0.202 nan 8.210 nan 0.000 0.455 318 L N 6.071 127.295 121.223 0.002 0.000 2.371 318 L HA 0.601 4.942 4.340 0.001 0.000 0.262 318 L C -0.799 176.042 176.870 -0.049 0.000 1.006 318 L CA -0.773 54.067 54.840 -0.001 0.000 0.818 318 L CB 2.724 44.797 42.059 0.022 0.000 1.354 318 L HN 0.285 nan 8.230 nan 0.000 0.415 319 L N 1.343 122.532 121.223 -0.056 0.000 2.317 319 L HA 0.382 4.723 4.340 0.001 0.000 0.281 319 L C -0.288 176.555 176.870 -0.045 0.000 1.024 319 L CA -0.616 54.166 54.840 -0.097 0.000 0.810 319 L CB 1.771 43.733 42.059 -0.162 0.000 1.240 319 L HN 0.690 nan 8.230 nan 0.000 0.427 320 D N 0.320 120.704 120.400 -0.025 0.000 2.399 320 D HA 0.060 4.700 4.640 0.001 0.000 0.288 320 D C 0.175 176.463 176.300 -0.020 0.000 1.197 320 D CA -0.106 53.898 54.000 0.007 0.000 1.081 320 D CB 0.392 41.231 40.800 0.065 0.000 1.139 320 D HN 0.365 nan 8.370 nan 0.000 0.554 321 D N -2.265 118.137 120.400 0.004 0.000 2.201 321 D HA -0.002 4.638 4.640 0.001 0.000 0.209 321 D C 1.927 178.131 176.300 -0.160 0.000 0.961 321 D CA 1.000 54.953 54.000 -0.078 0.000 0.861 321 D CB -0.494 40.246 40.800 -0.101 0.000 0.997 321 D HN 0.411 nan 8.370 nan 0.000 0.486 322 H N -0.751 118.264 119.070 -0.092 0.000 2.428 322 H HA 0.248 4.804 4.556 0.001 0.000 0.296 322 H C 1.527 176.688 175.328 -0.278 0.000 1.062 322 H CA 1.599 57.565 56.048 -0.136 0.000 1.350 322 H CB 0.357 30.101 29.762 -0.029 0.000 1.403 322 H HN 0.281 nan 8.280 nan 0.000 0.533 323 G N -1.214 107.488 108.800 -0.163 0.000 2.370 323 G HA2 -0.172 3.789 3.960 0.001 0.000 0.174 323 G HA3 -0.172 3.789 3.960 0.001 0.000 0.174 323 G C -0.109 174.624 174.900 -0.277 0.000 1.002 323 G CA -0.368 44.558 45.100 -0.291 0.000 0.730 323 G HN 0.345 nan 8.290 nan 0.000 0.497 324 H N 0.280 119.364 119.070 0.022 0.000 2.581 324 H HA 0.612 5.168 4.556 0.001 0.000 0.369 324 H C 0.739 176.051 175.328 -0.026 0.000 1.351 324 H CA 1.035 57.137 56.048 0.091 0.000 1.434 324 H CB 1.141 31.009 29.762 0.178 0.000 1.558 324 H HN 0.512 nan 8.280 nan 0.000 0.608 325 I N -1.723 118.927 120.570 0.133 0.000 2.957 325 I HA 0.605 4.775 4.170 0.001 0.000 0.310 325 I C -0.430 175.748 176.117 0.102 0.000 1.063 325 I CA -1.029 60.265 61.300 -0.011 0.000 1.033 325 I CB 1.857 39.733 38.000 -0.208 0.000 1.230 325 I HN 0.336 nan 8.210 nan 0.000 0.447 326 R N 2.317 122.838 120.500 0.035 0.000 2.673 326 R HA 0.669 5.009 4.340 0.001 0.000 0.281 326 R C -1.225 175.070 176.300 -0.009 0.000 0.991 326 R CA -0.854 55.272 56.100 0.043 0.000 0.896 326 R CB 2.209 32.528 30.300 0.031 0.000 1.201 326 R HN 0.618 nan 8.270 nan 0.000 0.457 327 I N 1.850 122.384 120.570 -0.059 0.000 2.692 327 I HA 0.036 4.206 4.170 0.001 0.000 0.284 327 I C 0.559 176.631 176.117 -0.074 0.000 1.159 327 I CA 0.999 62.212 61.300 -0.144 0.000 1.423 327 I CB 0.764 38.520 38.000 -0.407 0.000 1.380 327 I HN 0.737 nan 8.210 nan 0.000 0.580 328 S N 2.393 118.106 115.700 0.022 0.000 2.776 328 S HA 0.454 4.924 4.470 0.001 0.000 0.292 328 S C -0.593 174.128 174.600 0.202 0.000 1.187 328 S CA -0.899 57.352 58.200 0.086 0.000 0.834 328 S CB 1.362 64.608 63.200 0.077 0.000 1.199 328 S HN 0.697 nan 8.310 nan 0.000 0.514 329 D N -0.552 119.947 120.400 0.166 0.000 2.904 329 D HA -0.124 4.517 4.640 0.001 0.000 0.231 329 D C -0.736 175.712 176.300 0.247 0.000 1.185 329 D CA 0.294 54.399 54.000 0.175 0.000 0.783 329 D CB -1.413 39.464 40.800 0.128 0.000 0.961 329 D HN 0.493 nan 8.370 nan 0.000 0.409 330 L N 1.202 122.577 121.223 0.253 0.000 2.939 330 L HA 0.388 4.729 4.340 0.001 0.000 0.239 330 L C 2.201 179.198 176.870 0.212 0.000 1.325 330 L CA 0.652 55.677 54.840 0.307 0.000 1.170 330 L CB 0.135 42.343 42.059 0.247 0.000 1.538 330 L HN 0.456 nan 8.230 nan 0.000 0.452 331 G N -0.147 108.758 108.800 0.176 0.000 2.421 331 G HA2 -0.179 3.781 3.960 0.001 0.000 0.216 331 G HA3 -0.179 3.781 3.960 0.001 0.000 0.216 331 G C 1.296 176.279 174.900 0.138 0.000 1.171 331 G CA 0.541 45.741 45.100 0.168 0.000 0.775 331 G HN 0.451 nan 8.290 nan 0.000 0.543 332 L N 0.700 121.978 121.223 0.092 0.000 2.567 332 L HA 0.397 4.737 4.340 0.001 0.000 0.225 332 L C 1.743 178.670 176.870 0.096 0.000 1.119 332 L CA -0.249 54.633 54.840 0.069 0.000 0.871 332 L CB -0.303 41.761 42.059 0.009 0.000 1.036 332 L HN 0.202 nan 8.230 nan 0.000 0.459 333 A N 0.468 123.374 122.820 0.143 0.000 2.406 333 A HA 0.482 4.802 4.320 0.001 0.000 0.243 333 A C -0.219 177.474 177.584 0.181 0.000 1.082 333 A CA 0.126 52.284 52.037 0.203 0.000 0.786 333 A CB 1.020 20.200 19.000 0.300 0.000 1.029 333 A HN 0.002 nan 8.150 nan 0.000 0.495 334 V N 0.592 120.624 119.914 0.196 0.000 3.264 334 V HA 0.284 4.404 4.120 0.001 0.000 0.294 334 V C -0.819 175.399 176.094 0.207 0.000 1.429 334 V CA -0.809 61.600 62.300 0.181 0.000 1.053 334 V CB 2.056 33.961 31.823 0.136 0.000 1.128 334 V HN 1.164 nan 8.190 nan 0.000 0.452 335 H N 2.877 122.010 119.070 0.106 0.000 2.582 335 H HA 0.633 5.189 4.556 0.001 0.000 0.345 335 H C -1.419 173.956 175.328 0.080 0.000 1.104 335 H CA -0.080 56.032 56.048 0.107 0.000 1.390 335 H CB 1.667 31.478 29.762 0.083 0.000 1.461 335 H HN 0.420 nan 8.280 nan 0.000 0.551 336 V N 7.748 127.320 119.914 -0.570 0.000 2.407 336 V HA 0.218 4.338 4.120 0.001 0.000 0.291 336 V C -2.181 173.559 176.094 -0.590 0.000 1.018 336 V CA -1.758 60.268 62.300 -0.457 0.000 0.842 336 V CB 1.277 32.943 31.823 -0.261 0.000 0.996 336 V HN 0.770 nan 8.190 nan 0.000 0.426 337 P HA 0.085 nan 4.420 nan 0.000 0.269 337 P C -0.138 177.118 177.300 -0.074 0.000 1.215 337 P CA -0.175 62.838 63.100 -0.146 0.000 0.780 337 P CB 0.649 32.337 31.700 -0.021 0.000 0.898 338 E N 1.257 121.464 120.200 0.012 0.000 2.324 338 E HA 0.265 4.615 4.350 0.001 0.000 0.271 338 E C 0.716 177.324 176.600 0.014 0.000 1.028 338 E CA 0.371 56.793 56.400 0.036 0.000 0.890 338 E CB -0.494 29.247 29.700 0.069 0.000 1.004 338 E HN 0.771 nan 8.360 nan 0.000 0.431 339 G N 3.684 112.487 108.800 0.005 0.000 2.171 339 G HA2 -0.257 3.704 3.960 0.001 0.000 0.238 339 G HA3 -0.257 3.704 3.960 0.001 0.000 0.238 339 G C -0.095 174.783 174.900 -0.037 0.000 1.039 339 G CA 0.260 45.355 45.100 -0.007 0.000 0.759 339 G HN 0.544 nan 8.290 nan 0.000 0.501 340 Q N -1.213 118.543 119.800 -0.073 0.000 2.615 340 Q HA 0.786 5.126 4.340 0.001 0.000 0.298 340 Q C -0.097 175.805 176.000 -0.163 0.000 1.023 340 Q CA -0.392 55.350 55.803 -0.102 0.000 0.768 340 Q CB 2.279 30.961 28.738 -0.093 0.000 1.500 340 Q HN 0.657 nan 8.270 nan 0.000 0.441 341 T N -2.030 112.417 114.554 -0.179 0.000 2.841 341 T HA 0.857 5.208 4.350 0.001 0.000 0.296 341 T C -0.763 173.770 174.700 -0.278 0.000 1.166 341 T CA -0.721 61.222 62.100 -0.261 0.000 1.007 341 T CB 1.141 69.861 68.868 -0.246 0.000 1.253 341 T HN 0.604 nan 8.240 nan 0.000 0.511 342 I N -1.547 118.768 120.570 -0.425 0.000 3.074 342 I HA 0.800 4.970 4.170 0.001 0.000 0.310 342 I C -1.032 174.738 176.117 -0.578 0.000 1.153 342 I CA -1.621 59.446 61.300 -0.388 0.000 0.993 342 I CB 2.356 40.182 38.000 -0.290 0.000 1.237 342 I HN 0.987 nan 8.210 nan 0.000 0.443 343 K N 1.365 121.572 120.400 -0.323 0.000 2.221 343 K HA 0.969 5.289 4.320 0.001 0.000 0.243 343 K C -0.498 176.063 176.600 -0.065 0.000 0.968 343 K CA -0.887 55.280 56.287 -0.200 0.000 0.846 343 K CB 2.075 34.522 32.500 -0.087 0.000 1.141 343 K HN 1.167 nan 8.250 nan 0.000 0.434 344 G N 1.243 110.094 108.800 0.084 0.000 2.093 344 G HA2 0.092 4.052 3.960 0.001 0.000 0.298 344 G HA3 0.092 4.052 3.960 0.001 0.000 0.298 344 G C -1.587 173.386 174.900 0.123 0.000 1.713 344 G CA -1.029 44.130 45.100 0.099 0.000 0.907 344 G HN 0.575 nan 8.290 nan 0.000 0.702 345 R N 1.524 122.059 120.500 0.058 0.000 3.710 345 R HA 0.453 4.793 4.340 0.001 0.000 0.201 345 R C -0.090 176.222 176.300 0.020 0.000 1.641 345 R CA -0.089 56.027 56.100 0.026 0.000 1.390 345 R CB -0.312 29.992 30.300 0.007 0.000 1.341 345 R HN 0.645 nan 8.270 nan 0.000 0.728 346 V N -0.549 119.379 119.914 0.024 0.000 2.760 346 V HA 0.980 5.100 4.120 0.001 0.000 0.309 346 V C 0.053 176.143 176.094 -0.006 0.000 1.077 346 V CA -0.363 61.948 62.300 0.018 0.000 0.910 346 V CB 1.662 33.510 31.823 0.042 0.000 1.008 346 V HN 0.655 nan 8.190 nan 0.000 0.424 347 G N 1.863 110.658 108.800 -0.009 0.000 2.369 347 G HA2 0.415 4.375 3.960 0.001 0.000 0.307 347 G HA3 0.415 4.375 3.960 0.001 0.000 0.307 347 G C -0.810 174.098 174.900 0.013 0.000 1.327 347 G CA -0.209 44.883 45.100 -0.013 0.000 0.963 347 G HN 0.983 nan 8.290 nan 0.000 0.590 348 T N 0.900 115.484 114.554 0.051 0.000 2.829 348 T HA 0.533 4.883 4.350 0.001 0.000 0.282 348 T C 0.806 175.610 174.700 0.173 0.000 0.990 348 T CA -0.159 62.002 62.100 0.101 0.000 1.028 348 T CB 1.459 70.390 68.868 0.105 0.000 0.951 348 T HN 1.290 nan 8.240 nan 0.000 0.460 349 V N 2.741 122.720 119.914 0.110 0.000 2.742 349 V HA 0.237 4.358 4.120 0.001 0.000 0.302 349 V C 1.704 177.826 176.094 0.047 0.000 1.133 349 V CA 1.108 63.445 62.300 0.062 0.000 1.284 349 V CB -1.159 30.689 31.823 0.042 0.000 0.850 349 V HN 1.303 nan 8.190 nan 0.000 0.494 350 G N 3.508 112.280 108.800 -0.047 0.000 2.358 350 G HA2 -0.332 3.628 3.960 0.001 0.000 0.224 350 G HA3 -0.332 3.628 3.960 0.001 0.000 0.224 350 G C 0.389 175.181 174.900 -0.179 0.000 1.073 350 G CA 0.582 45.577 45.100 -0.176 0.000 0.635 350 G HN 0.762 nan 8.290 nan 0.000 0.509 351 Y N 1.522 121.905 120.300 0.139 0.000 2.523 351 Y HA 0.550 5.100 4.550 0.001 0.000 0.279 351 Y C 2.187 178.244 175.900 0.261 0.000 1.139 351 Y CA 0.328 58.547 58.100 0.199 0.000 1.296 351 Y CB 0.001 38.538 38.460 0.128 0.000 1.045 351 Y HN 0.284 nan 8.280 nan 0.000 0.538 352 M N 0.295 120.029 119.600 0.224 0.000 2.232 352 M HA 0.304 4.785 4.480 0.001 0.000 0.321 352 M C 0.351 176.569 176.300 -0.136 0.000 1.101 352 M CA -0.098 55.230 55.300 0.047 0.000 1.181 352 M CB 0.504 33.075 32.600 -0.047 0.000 1.432 352 M HN 0.136 nan 8.290 nan 0.000 0.457 353 A N 2.492 125.033 122.820 -0.466 0.000 2.306 353 A HA 0.564 4.885 4.320 0.001 0.000 0.330 353 A C -2.016 175.087 177.584 -0.802 0.000 1.146 353 A CA -1.720 49.631 52.037 -1.143 0.000 0.827 353 A CB 0.235 18.672 19.000 -0.939 0.000 1.178 353 A HN 0.585 nan 8.150 nan 0.000 0.490 354 P HA -0.265 nan 4.420 nan 0.000 0.217 354 P C 1.225 178.322 177.300 -0.339 0.000 1.158 354 P CA 2.056 64.839 63.100 -0.529 0.000 0.887 354 P CB 0.156 31.561 31.700 -0.492 0.000 0.792 355 E N -0.642 119.364 120.200 -0.323 0.000 2.208 355 E HA -0.067 4.283 4.350 0.001 0.000 0.193 355 E C 1.917 178.428 176.600 -0.149 0.000 0.988 355 E CA 0.960 57.252 56.400 -0.180 0.000 0.828 355 E CB -1.343 28.287 29.700 -0.116 0.000 0.763 355 E HN 0.105 nan 8.360 nan 0.000 0.478 356 V N 2.059 121.815 119.914 -0.263 0.000 2.244 356 V HA -0.246 3.875 4.120 0.001 0.000 0.244 356 V C 2.797 178.815 176.094 -0.128 0.000 1.042 356 V CA 1.808 63.980 62.300 -0.213 0.000 1.006 356 V CB -0.616 31.024 31.823 -0.306 0.000 0.641 356 V HN 0.119 nan 8.190 nan 0.000 0.446 357 V N -0.165 119.646 119.914 -0.171 0.000 2.324 357 V HA -0.318 3.803 4.120 0.001 0.000 0.250 357 V C 2.094 178.133 176.094 -0.093 0.000 1.060 357 V CA 2.065 64.287 62.300 -0.129 0.000 1.042 357 V CB -0.974 30.752 31.823 -0.161 0.000 0.650 357 V HN 0.517 nan 8.190 nan 0.000 0.450 358 K N 0.276 120.616 120.400 -0.101 0.000 2.611 358 K HA 0.007 4.328 4.320 0.001 0.000 0.193 358 K C 0.922 177.500 176.600 -0.036 0.000 1.026 358 K CA 0.229 56.474 56.287 -0.068 0.000 1.063 358 K CB -0.415 32.038 32.500 -0.077 0.000 0.839 358 K HN 0.452 nan 8.250 nan 0.000 0.505 359 N N 2.023 120.711 118.700 -0.020 0.000 2.693 359 N HA -0.201 4.540 4.740 0.001 0.000 0.249 359 N C -1.057 174.466 175.510 0.022 0.000 1.119 359 N CA 0.920 53.976 53.050 0.010 0.000 0.717 359 N CB -0.616 37.868 38.487 -0.004 0.000 1.071 359 N HN 0.469 nan 8.380 nan 0.000 0.555 360 E N 0.108 120.328 120.200 0.034 0.000 2.318 360 E HA 0.246 4.596 4.350 0.001 0.000 0.265 360 E C 0.342 177.003 176.600 0.102 0.000 1.069 360 E CA -0.502 55.921 56.400 0.039 0.000 0.893 360 E CB 0.983 30.692 29.700 0.015 0.000 1.076 360 E HN 0.146 nan 8.360 nan 0.000 0.414 361 R N 1.135 121.648 120.500 0.022 0.000 2.490 361 R HA 0.317 4.658 4.340 0.001 0.000 0.278 361 R C -0.835 175.466 176.300 0.002 0.000 1.069 361 R CA -0.196 55.853 56.100 -0.084 0.000 1.080 361 R CB 0.476 30.702 30.300 -0.125 0.000 1.030 361 R HN 0.478 nan 8.270 nan 0.000 0.491 362 Y N -2.566 117.677 120.300 -0.096 0.000 2.609 362 Y HA 0.386 4.936 4.550 0.001 0.000 0.336 362 Y C 0.073 175.858 175.900 -0.192 0.000 1.129 362 Y CA -1.124 56.908 58.100 -0.113 0.000 1.040 362 Y CB 0.811 39.217 38.460 -0.089 0.000 1.310 362 Y HN 0.612 nan 8.280 nan 0.000 0.460 363 T N -1.818 112.716 114.554 -0.032 0.000 2.759 363 T HA 0.275 4.625 4.350 0.001 0.000 0.181 363 T C 0.430 174.894 174.700 -0.394 0.000 0.682 363 T CA 0.349 62.208 62.100 -0.402 0.000 2.176 363 T CB -0.240 68.385 68.868 -0.404 0.000 2.720 363 T HN 0.558 nan 8.240 nan 0.000 0.380 364 F N 1.616 121.583 119.950 0.029 0.000 2.641 364 F HA 0.363 4.890 4.527 0.001 0.000 0.302 364 F C 2.424 178.270 175.800 0.076 0.000 1.098 364 F CA -0.725 57.175 58.000 -0.167 0.000 1.318 364 F CB -0.323 38.275 39.000 -0.671 0.000 1.035 364 F HN 0.239 nan 8.300 nan 0.000 0.551 365 S N 1.450 117.312 115.700 0.271 0.000 2.359 365 S HA -0.182 4.288 4.470 0.001 0.000 0.222 365 S C -0.529 174.222 174.600 0.250 0.000 1.038 365 S CA 1.323 59.701 58.200 0.297 0.000 1.051 365 S CB -1.648 61.649 63.200 0.161 0.000 0.944 365 S HN 0.234 nan 8.310 nan 0.000 0.433 366 P HA -0.096 nan 4.420 nan 0.000 0.217 366 P C 0.691 178.109 177.300 0.197 0.000 1.148 366 P CA 1.317 64.410 63.100 -0.011 0.000 0.828 366 P CB -0.143 31.379 31.700 -0.298 0.000 0.783 367 D N -1.910 118.601 120.400 0.185 0.000 2.091 367 D HA -0.105 4.535 4.640 0.001 0.000 0.199 367 D C 1.952 178.369 176.300 0.194 0.000 0.980 367 D CA 1.003 55.102 54.000 0.166 0.000 0.831 367 D CB -0.908 39.982 40.800 0.149 0.000 0.987 367 D HN 0.272 nan 8.370 nan 0.000 0.460 368 W N 1.072 122.566 121.300 0.322 0.000 2.350 368 W HA -0.144 4.516 4.660 0.000 0.000 0.289 368 W C 2.398 179.077 176.519 0.267 0.000 1.215 368 W CA 0.104 57.612 57.345 0.272 0.000 1.236 368 W CB -0.330 29.278 29.460 0.247 0.000 1.130 368 W HN 0.132 nan 8.180 nan 0.000 0.541 369 W N 1.198 122.691 121.300 0.322 0.000 2.353 369 W HA -0.256 4.404 4.660 0.001 0.000 0.319 369 W C 2.162 178.808 176.519 0.213 0.000 1.207 369 W CA 2.315 59.789 57.345 0.215 0.000 1.291 369 W CB -0.969 28.566 29.460 0.125 0.000 1.159 369 W HN -0.109 nan 8.180 nan 0.000 0.478 370 A N 0.999 124.022 122.820 0.339 0.000 2.032 370 A HA -0.244 4.076 4.320 0.001 0.000 0.221 370 A C 1.920 179.604 177.584 0.166 0.000 1.165 370 A CA 1.845 54.025 52.037 0.238 0.000 0.645 370 A CB -1.070 18.092 19.000 0.270 0.000 0.807 370 A HN 0.398 nan 8.150 nan 0.000 0.453 371 L N 0.052 121.387 121.223 0.187 0.000 2.017 371 L HA -0.016 4.325 4.340 0.001 0.000 0.208 371 L C 2.412 179.376 176.870 0.158 0.000 1.073 371 L CA 2.336 57.296 54.840 0.199 0.000 0.745 371 L CB -1.362 40.871 42.059 0.290 0.000 0.894 371 L HN 0.298 nan 8.230 nan 0.000 0.432 372 G N -1.004 107.843 108.800 0.078 0.000 2.491 372 G HA2 -0.317 3.644 3.960 0.001 0.000 0.218 372 G HA3 -0.317 3.644 3.960 0.001 0.000 0.218 372 G C 1.664 176.556 174.900 -0.014 0.000 1.180 372 G CA 1.188 46.283 45.100 -0.009 0.000 0.774 372 G HN 0.556 nan 8.290 nan 0.000 0.562 373 C N -0.199 119.022 119.300 -0.132 0.000 2.391 373 C HA -0.070 4.390 4.460 0.001 0.000 0.276 373 C C 2.785 177.895 174.990 0.201 0.000 1.217 373 C CA 0.903 59.910 59.018 -0.018 0.000 1.766 373 C CB -1.189 26.595 27.740 0.073 0.000 2.046 373 C HN 0.447 nan 8.230 nan 0.000 0.475 374 L N -0.278 121.083 121.223 0.230 0.000 2.072 374 L HA -0.026 4.314 4.340 0.001 0.000 0.205 374 L C 2.323 179.354 176.870 0.269 0.000 1.079 374 L CA 1.174 56.176 54.840 0.270 0.000 0.752 374 L CB -0.488 41.708 42.059 0.229 0.000 0.906 374 L HN 0.230 nan 8.230 nan 0.000 0.436 375 L N -1.550 119.817 121.223 0.240 0.000 2.131 375 L HA -0.246 4.094 4.340 0.001 0.000 0.210 375 L C 2.186 179.214 176.870 0.263 0.000 1.092 375 L CA 1.731 56.715 54.840 0.240 0.000 0.759 375 L CB -0.761 41.426 42.059 0.213 0.000 0.903 375 L HN 0.356 nan 8.230 nan 0.000 0.435 376 Y N 0.632 121.010 120.300 0.129 0.000 2.036 376 Y HA -0.339 4.211 4.550 0.001 0.000 0.273 376 Y C 2.694 178.666 175.900 0.120 0.000 1.135 376 Y CA 2.291 60.467 58.100 0.127 0.000 1.106 376 Y CB -0.248 38.188 38.460 -0.040 0.000 0.976 376 Y HN 0.328 nan 8.280 nan 0.000 0.483 377 E N -0.307 120.152 120.200 0.432 0.000 2.333 377 E HA -0.262 4.088 4.350 0.001 0.000 0.200 377 E C 2.021 178.721 176.600 0.167 0.000 1.010 377 E CA 1.306 57.897 56.400 0.318 0.000 0.841 377 E CB -0.158 29.754 29.700 0.353 0.000 0.757 377 E HN 0.584 nan 8.360 nan 0.000 0.508 378 M N -0.563 119.143 119.600 0.176 0.000 2.160 378 M HA -0.051 4.430 4.480 0.001 0.000 0.264 378 M C 2.006 178.295 176.300 -0.019 0.000 1.073 378 M CA 1.106 56.488 55.300 0.136 0.000 1.142 378 M CB 0.103 32.878 32.600 0.292 0.000 1.358 378 M HN 0.170 nan 8.290 nan 0.000 0.422 379 I N -0.576 119.962 120.570 -0.053 0.000 2.480 379 I HA -0.076 4.095 4.170 0.001 0.000 0.251 379 I C 2.528 178.398 176.117 -0.412 0.000 1.124 379 I CA 0.740 61.893 61.300 -0.245 0.000 1.444 379 I CB -0.415 37.392 38.000 -0.322 0.000 1.098 379 I HN 0.169 nan 8.210 nan 0.000 0.428 380 A N 0.352 122.955 122.820 -0.362 0.000 1.970 380 A HA 0.171 4.492 4.320 0.001 0.000 0.216 380 A C 2.116 179.566 177.584 -0.224 0.000 1.170 380 A CA 1.372 53.203 52.037 -0.343 0.000 0.645 380 A CB -0.741 18.031 19.000 -0.381 0.000 0.816 380 A HN 0.548 nan 8.150 nan 0.000 0.447 381 G N -2.084 106.604 108.800 -0.186 0.000 2.217 381 G HA2 -0.252 3.709 3.960 0.001 0.000 0.246 381 G HA3 -0.252 3.709 3.960 0.001 0.000 0.246 381 G C 0.172 174.938 174.900 -0.223 0.000 0.990 381 G CA 0.582 45.543 45.100 -0.232 0.000 0.627 381 G HN 0.830 nan 8.290 nan 0.000 0.522 382 Q N 0.102 119.859 119.800 -0.071 0.000 2.423 382 Q HA 0.626 4.966 4.340 0.001 0.000 0.278 382 Q C -0.101 175.988 176.000 0.150 0.000 1.097 382 Q CA -0.170 55.620 55.803 -0.021 0.000 0.809 382 Q CB 1.820 30.543 28.738 -0.025 0.000 1.391 382 Q HN 0.370 nan 8.270 nan 0.000 0.428 383 S N 2.161 117.921 115.700 0.101 0.000 2.533 383 S HA 0.147 4.618 4.470 0.001 0.000 0.282 383 S C -1.618 172.850 174.600 -0.220 0.000 1.304 383 S CA -1.060 57.150 58.200 0.017 0.000 1.063 383 S CB 0.588 63.803 63.200 0.024 0.000 0.881 383 S HN 0.502 nan 8.310 nan 0.000 0.493 384 P HA 0.020 nan 4.420 nan 0.000 0.231 384 P C 0.171 176.697 177.300 -1.290 0.000 1.158 384 P CA 1.066 63.287 63.100 -1.466 0.000 0.763 384 P CB -0.089 30.300 31.700 -2.184 0.000 0.805 385 F N -2.658 117.115 119.950 -0.295 0.000 2.675 385 F HA 0.249 4.776 4.527 0.001 0.000 0.315 385 F C 1.548 177.275 175.800 -0.122 0.000 0.888 385 F CA -0.357 57.532 58.000 -0.185 0.000 1.100 385 F CB -0.058 38.840 39.000 -0.170 0.000 0.908 385 F HN -0.239 nan 8.300 nan 0.000 0.657 391 K N 3.693 124.112 120.400 0.032 0.000 2.292 391 K HA 0.302 4.623 4.320 0.001 0.000 0.290 391 K C -0.180 176.438 176.600 0.030 0.000 1.083 391 K CA -0.095 56.214 56.287 0.036 0.000 0.918 391 K CB 0.257 32.778 32.500 0.035 0.000 1.089 391 K HN 0.377 nan 8.250 nan 0.000 0.473 392 I N 3.285 123.875 120.570 0.033 0.000 2.353 392 I HA 0.147 4.317 4.170 0.001 0.000 0.293 392 I C 0.648 176.780 176.117 0.026 0.000 0.992 392 I CA -0.639 60.678 61.300 0.027 0.000 1.268 392 I CB 1.009 39.027 38.000 0.030 0.000 1.387 392 I HN 0.331 nan 8.210 nan 0.000 0.478 393 K N 4.639 125.051 120.400 0.020 0.000 2.132 393 K HA 0.244 4.565 4.320 0.001 0.000 0.240 393 K C 1.111 177.718 176.600 0.012 0.000 1.036 393 K CA -0.423 55.874 56.287 0.016 0.000 0.888 393 K CB 0.614 33.122 32.500 0.013 0.000 1.071 393 K HN 0.506 nan 8.250 nan 0.000 0.502 394 R N 1.259 121.764 120.500 0.008 0.000 2.154 394 R HA -0.257 4.083 4.340 0.001 0.000 0.236 394 R C 2.088 178.384 176.300 -0.008 0.000 1.121 394 R CA 2.146 58.246 56.100 0.001 0.000 0.915 394 R CB -0.257 30.043 30.300 0.000 0.000 0.856 394 R HN 0.636 nan 8.270 nan 0.000 0.431 395 E N -0.246 119.949 120.200 -0.009 0.000 2.216 395 E HA -0.173 4.178 4.350 0.001 0.000 0.192 395 E C 1.807 178.396 176.600 -0.018 0.000 0.988 395 E CA 0.660 57.050 56.400 -0.017 0.000 0.834 395 E CB 0.199 29.891 29.700 -0.013 0.000 0.772 395 E HN 0.177 nan 8.360 nan 0.000 0.479 396 E N -0.031 120.165 120.200 -0.007 0.000 2.077 396 E HA -0.162 4.188 4.350 0.001 0.000 0.193 396 E C 1.840 178.439 176.600 -0.001 0.000 0.989 396 E CA 1.434 57.834 56.400 0.000 0.000 0.800 396 E CB -0.130 29.577 29.700 0.011 0.000 0.746 396 E HN 0.110 nan 8.360 nan 0.000 0.452 397 V N 1.144 121.056 119.914 -0.003 0.000 2.332 397 V HA -0.275 3.846 4.120 0.001 0.000 0.248 397 V C 2.144 178.182 176.094 -0.094 0.000 1.055 397 V CA 2.337 64.629 62.300 -0.014 0.000 1.038 397 V CB -0.719 31.097 31.823 -0.011 0.000 0.651 397 V HN 0.313 nan 8.190 nan 0.000 0.450 398 E N 0.028 120.175 120.200 -0.087 0.000 2.077 398 E HA -0.236 4.114 4.350 0.001 0.000 0.193 398 E C 2.455 178.984 176.600 -0.118 0.000 0.989 398 E CA 1.236 57.565 56.400 -0.119 0.000 0.800 398 E CB -0.230 29.419 29.700 -0.083 0.000 0.746 398 E HN 0.465 nan 8.360 nan 0.000 0.452 399 R N 0.763 121.221 120.500 -0.071 0.000 2.090 399 R HA -0.101 4.239 4.340 0.001 0.000 0.228 399 R C 2.369 178.645 176.300 -0.039 0.000 1.110 399 R CA 0.575 56.645 56.100 -0.051 0.000 0.973 399 R CB -0.179 30.106 30.300 -0.025 0.000 0.869 399 R HN 0.132 nan 8.270 nan 0.000 0.440 400 L N 0.772 121.984 121.223 -0.018 0.000 2.127 400 L HA -0.154 4.187 4.340 0.001 0.000 0.211 400 L C 1.930 178.824 176.870 0.040 0.000 1.089 400 L CA 1.408 56.286 54.840 0.063 0.000 0.757 400 L CB -0.101 42.053 42.059 0.159 0.000 0.899 400 L HN -0.007 nan 8.230 nan 0.000 0.434 401 V N -1.069 118.713 119.914 -0.219 0.000 2.331 401 V HA -0.193 3.927 4.120 0.001 0.000 0.242 401 V C 2.408 178.419 176.094 -0.139 0.000 1.034 401 V CA 1.492 63.569 62.300 -0.371 0.000 1.027 401 V CB -0.493 30.961 31.823 -0.614 0.000 0.667 401 V HN 0.361 nan 8.190 nan 0.000 0.457 402 K N -0.454 119.861 120.400 -0.142 0.000 2.281 402 K HA -0.210 4.110 4.320 0.001 0.000 0.203 402 K C 1.774 178.349 176.600 -0.042 0.000 1.046 402 K CA 1.763 57.986 56.287 -0.106 0.000 0.938 402 K CB 0.051 32.493 32.500 -0.096 0.000 0.737 402 K HN 0.577 nan 8.250 nan 0.000 0.458 403 E N -1.153 119.046 120.200 -0.002 0.000 2.717 403 E HA 0.063 4.413 4.350 0.001 0.000 0.204 403 E C -0.602 176.036 176.600 0.063 0.000 0.911 403 E CA -0.155 56.260 56.400 0.025 0.000 1.370 403 E CB 0.895 30.603 29.700 0.013 0.000 1.315 403 E HN -0.164 nan 8.360 nan 0.000 0.643 404 V N 5.594 125.561 119.914 0.089 0.000 2.470 404 V HA 0.138 4.258 4.120 0.001 0.000 0.276 404 V C -2.023 174.165 176.094 0.158 0.000 1.040 404 V CA -1.201 61.166 62.300 0.110 0.000 1.008 404 V CB 0.269 32.158 31.823 0.111 0.000 0.990 404 V HN 0.120 nan 8.190 nan 0.000 0.477 405 P HA 0.162 nan 4.420 nan 0.000 0.274 405 P C -0.421 176.894 177.300 0.025 0.000 1.256 405 P CA -0.494 62.666 63.100 0.101 0.000 0.795 405 P CB 0.607 32.354 31.700 0.079 0.000 1.038 406 E N 0.672 120.844 120.200 -0.046 0.000 2.354 406 E HA 0.123 4.474 4.350 0.001 0.000 0.269 406 E C -0.845 175.625 176.600 -0.217 0.000 1.036 406 E CA -0.211 56.045 56.400 -0.240 0.000 0.876 406 E CB 0.296 29.769 29.700 -0.378 0.000 1.009 406 E HN 0.325 nan 8.360 nan 0.000 0.416 407 E N 2.191 122.255 120.200 -0.227 0.000 2.129 407 E HA 0.262 4.612 4.350 0.001 0.000 0.268 407 E C -1.286 175.213 176.600 -0.168 0.000 0.900 407 E CA -0.483 55.851 56.400 -0.110 0.000 0.755 407 E CB 0.595 30.270 29.700 -0.043 0.000 1.117 407 E HN 0.358 nan 8.360 nan 0.000 0.410 408 Y N 1.384 121.625 120.300 -0.099 0.000 2.316 408 Y HA 0.235 4.785 4.550 0.001 0.000 0.331 408 Y C 1.128 177.061 175.900 0.055 0.000 1.083 408 Y CA -0.493 57.495 58.100 -0.187 0.000 1.206 408 Y CB 1.152 39.397 38.460 -0.360 0.000 1.195 408 Y HN 0.506 nan 8.280 nan 0.000 0.497 409 S N 1.577 117.502 115.700 0.374 0.000 2.669 409 S HA 0.249 4.719 4.470 0.001 0.000 0.270 409 S C -0.047 174.709 174.600 0.259 0.000 1.225 409 S CA -1.013 57.326 58.200 0.232 0.000 0.991 409 S CB 0.779 64.044 63.200 0.108 0.000 0.987 409 S HN 0.701 nan 8.310 nan 0.000 0.552 410 E N 0.830 121.094 120.200 0.107 0.000 1.972 410 E HA 0.188 4.539 4.350 0.001 0.000 0.292 410 E C 0.458 177.054 176.600 -0.006 0.000 1.193 410 E CA -0.081 56.360 56.400 0.067 0.000 1.228 410 E CB 0.024 29.741 29.700 0.028 0.000 1.167 410 E HN 0.526 nan 8.360 nan 0.000 0.479 411 R N 0.213 120.689 120.500 -0.040 0.000 2.650 411 R HA 0.127 4.467 4.340 0.001 0.000 0.212 411 R C -0.010 176.147 176.300 -0.238 0.000 0.904 411 R CA -0.186 55.778 56.100 -0.228 0.000 1.021 411 R CB 0.487 30.519 30.300 -0.447 0.000 1.519 411 R HN 0.128 nan 8.270 nan 0.000 0.639 412 F N 2.936 122.865 119.950 -0.036 0.000 2.495 412 F HA 0.065 4.593 4.527 0.001 0.000 0.365 412 F C 1.434 177.196 175.800 -0.063 0.000 1.090 412 F CA -0.300 57.677 58.000 -0.039 0.000 1.235 412 F CB 0.611 39.607 39.000 -0.007 0.000 1.119 412 F HN -0.031 nan 8.300 nan 0.000 0.562 413 S N 3.661 119.417 115.700 0.094 0.000 2.617 413 S HA 0.284 4.755 4.470 0.001 0.000 0.259 413 S C -1.737 172.872 174.600 0.015 0.000 1.301 413 S CA -1.077 57.143 58.200 0.034 0.000 0.984 413 S CB 1.089 64.298 63.200 0.015 0.000 0.954 413 S HN 0.363 nan 8.310 nan 0.000 0.572 414 P HA -0.159 nan 4.420 nan 0.000 0.214 414 P C 1.691 178.969 177.300 -0.037 0.000 1.169 414 P CA 1.471 64.549 63.100 -0.038 0.000 0.908 414 P CB -0.038 31.643 31.700 -0.032 0.000 0.791 415 Q N -1.202 118.592 119.800 -0.010 0.000 2.123 415 Q HA -0.042 4.298 4.340 0.001 0.000 0.199 415 Q C 2.238 178.275 176.000 0.061 0.000 0.966 415 Q CA 1.481 57.297 55.803 0.022 0.000 0.845 415 Q CB -1.018 27.726 28.738 0.011 0.000 0.907 415 Q HN 0.173 nan 8.270 nan 0.000 0.439 416 A N 1.886 124.735 122.820 0.048 0.000 1.884 416 A HA -0.284 4.037 4.320 0.001 0.000 0.219 416 A C 2.211 179.839 177.584 0.073 0.000 1.197 416 A CA 2.019 54.109 52.037 0.089 0.000 0.637 416 A CB -0.726 18.375 19.000 0.169 0.000 0.827 416 A HN 0.321 nan 8.150 nan 0.000 0.450 417 R N 0.132 120.607 120.500 -0.042 0.000 2.096 417 R HA -0.188 4.153 4.340 0.001 0.000 0.240 417 R C 2.535 178.738 176.300 -0.162 0.000 1.139 417 R CA 2.408 58.305 56.100 -0.338 0.000 0.952 417 R CB -0.450 29.454 30.300 -0.660 0.000 0.854 417 R HN 0.679 nan 8.270 nan 0.000 0.436 418 S N 0.595 116.255 115.700 -0.067 0.000 2.387 418 S HA -0.198 4.272 4.470 0.001 0.000 0.230 418 S C 1.961 176.610 174.600 0.081 0.000 1.035 418 S CA 1.363 59.581 58.200 0.031 0.000 1.014 418 S CB -0.496 62.760 63.200 0.092 0.000 0.836 418 S HN 0.384 nan 8.310 nan 0.000 0.466 419 L N 1.748 122.957 121.223 -0.023 0.000 2.007 419 L HA 0.056 4.397 4.340 0.001 0.000 0.205 419 L C 2.660 179.472 176.870 -0.096 0.000 1.073 419 L CA 1.688 56.338 54.840 -0.316 0.000 0.744 419 L CB -1.284 40.348 42.059 -0.711 0.000 0.898 419 L HN 0.500 nan 8.230 nan 0.000 0.435 420 C N -0.096 119.201 119.300 -0.005 0.000 2.363 420 C HA -0.238 4.222 4.460 0.001 0.000 0.274 420 C C 3.128 178.156 174.990 0.063 0.000 1.183 420 C CA 1.394 60.450 59.018 0.063 0.000 1.771 420 C CB -1.818 26.008 27.740 0.144 0.000 2.059 420 C HN 0.812 nan 8.230 nan 0.000 0.455 421 S N 0.841 116.615 115.700 0.123 0.000 2.356 421 S HA -0.288 4.183 4.470 0.001 0.000 0.223 421 S C 1.706 176.358 174.600 0.087 0.000 1.032 421 S CA 1.654 59.927 58.200 0.121 0.000 1.005 421 S CB -0.791 62.495 63.200 0.144 0.000 0.867 421 S HN 0.753 nan 8.310 nan 0.000 0.449 422 Q N 0.728 120.567 119.800 0.066 0.000 2.181 422 Q HA 0.045 4.386 4.340 0.001 0.000 0.205 422 Q C 2.168 178.213 176.000 0.074 0.000 0.980 422 Q CA 1.415 57.256 55.803 0.064 0.000 0.862 422 Q CB -0.428 28.343 28.738 0.054 0.000 0.905 422 Q HN 0.586 nan 8.270 nan 0.000 0.429 423 L N -0.540 120.720 121.223 0.063 0.000 2.270 423 L HA -0.034 4.306 4.340 0.001 0.000 0.210 423 L C 1.394 178.332 176.870 0.112 0.000 1.104 423 L CA 0.374 55.274 54.840 0.101 0.000 0.804 423 L CB 0.198 42.311 42.059 0.090 0.000 0.937 423 L HN 0.177 nan 8.230 nan 0.000 0.450 424 L N -0.362 120.887 121.223 0.044 0.000 2.741 424 L HA 0.129 4.469 4.340 0.001 0.000 0.237 424 L C 0.823 177.867 176.870 0.289 0.000 1.178 424 L CA -0.573 54.251 54.840 -0.027 0.000 0.973 424 L CB 0.343 42.282 42.059 -0.200 0.000 1.255 424 L HN 0.271 nan 8.230 nan 0.000 0.498 425 C N 0.576 120.042 119.300 0.277 0.000 2.642 425 C HA 0.003 4.463 4.460 0.001 0.000 0.420 425 C C 1.865 177.058 174.990 0.339 0.000 1.349 425 C CA -0.180 58.990 59.018 0.254 0.000 1.821 425 C CB 0.248 28.088 27.740 0.167 0.000 2.637 425 C HN 0.542 nan 8.230 nan 0.000 0.605 426 K N 2.182 122.719 120.400 0.229 0.000 2.418 426 K HA 0.034 4.354 4.320 0.001 0.000 0.195 426 K C 0.411 177.022 176.600 0.018 0.000 1.035 426 K CA 0.383 56.735 56.287 0.109 0.000 1.003 426 K CB 0.032 32.574 32.500 0.070 0.000 0.793 426 K HN 0.724 nan 8.250 nan 0.000 0.494 427 D N 1.194 121.629 120.400 0.058 0.000 2.280 427 D HA 0.066 4.707 4.640 0.001 0.000 0.243 427 D C -1.736 174.593 176.300 0.048 0.000 1.129 427 D CA -2.330 51.689 54.000 0.032 0.000 0.848 427 D CB 1.693 42.514 40.800 0.036 0.000 1.107 427 D HN -0.128 nan 8.370 nan 0.000 0.471 428 P HA -0.143 nan 4.420 nan 0.000 0.215 428 P C 1.021 178.355 177.300 0.057 0.000 1.157 428 P CA 1.017 64.146 63.100 0.048 0.000 0.868 428 P CB 0.129 31.845 31.700 0.027 0.000 0.788 429 A N -0.328 122.515 122.820 0.039 0.000 2.178 429 A HA -0.139 4.181 4.320 0.001 0.000 0.218 429 A C 1.687 179.292 177.584 0.036 0.000 1.157 429 A CA 1.395 53.452 52.037 0.034 0.000 0.689 429 A CB -0.898 18.115 19.000 0.022 0.000 0.787 429 A HN 0.282 nan 8.150 nan 0.000 0.465 430 E N -1.700 118.526 120.200 0.043 0.000 2.715 430 E HA 0.127 4.478 4.350 0.001 0.000 0.224 430 E C 0.377 177.010 176.600 0.055 0.000 0.962 430 E CA -0.375 56.050 56.400 0.041 0.000 1.145 430 E CB 0.531 30.253 29.700 0.037 0.000 1.083 430 E HN 0.431 nan 8.360 nan 0.000 0.506 431 R N 1.710 122.256 120.500 0.076 0.000 2.490 431 R HA 0.153 4.493 4.340 0.001 0.000 0.280 431 R C -0.212 176.115 176.300 0.045 0.000 1.077 431 R CA -0.573 55.588 56.100 0.103 0.000 1.065 431 R CB 0.506 30.912 30.300 0.176 0.000 1.003 431 R HN -0.016 nan 8.270 nan 0.000 0.470 432 L N 4.703 125.940 121.223 0.022 0.000 2.584 432 L HA 0.090 4.430 4.340 0.001 0.000 0.272 432 L C 1.019 177.746 176.870 -0.239 0.000 1.195 432 L CA 2.130 56.928 54.840 -0.070 0.000 0.920 432 L CB 0.439 42.469 42.059 -0.049 0.000 1.173 432 L HN 0.975 nan 8.230 nan 0.000 0.489 433 G N 2.559 111.178 108.800 -0.302 0.000 2.313 433 G HA2 -0.292 3.669 3.960 0.001 0.000 0.215 433 G HA3 -0.292 3.669 3.960 0.001 0.000 0.215 433 G C 0.806 175.561 174.900 -0.243 0.000 1.023 433 G CA 0.107 44.878 45.100 -0.549 0.000 0.626 433 G HN 0.803 nan 8.290 nan 0.000 0.503 434 C N 1.311 120.568 119.300 -0.071 0.000 2.697 434 C HA 0.426 4.887 4.460 0.001 0.000 0.267 434 C C 2.294 177.322 174.990 0.062 0.000 1.278 434 C CA 0.424 59.495 59.018 0.088 0.000 1.708 434 C CB -0.885 26.948 27.740 0.156 0.000 1.860 434 C HN 0.529 nan 8.230 nan 0.000 0.589 435 R N 1.299 121.809 120.500 0.018 0.000 2.285 435 R HA 0.150 4.491 4.340 0.001 0.000 0.213 435 R C 1.825 178.142 176.300 0.029 0.000 1.068 435 R CA 1.052 57.163 56.100 0.019 0.000 1.004 435 R CB -0.143 30.157 30.300 0.001 0.000 0.873 435 R HN 0.639 nan 8.270 nan 0.000 0.467 436 G N -1.510 107.316 108.800 0.042 0.000 2.192 436 G HA2 -0.180 3.780 3.960 0.001 0.000 0.193 436 G HA3 -0.180 3.780 3.960 0.001 0.000 0.193 436 G C 0.707 175.631 174.900 0.041 0.000 0.999 436 G CA -0.158 44.976 45.100 0.058 0.000 0.659 436 G HN 0.448 nan 8.290 nan 0.000 0.503 437 G N -0.123 108.681 108.800 0.007 0.000 2.683 437 G HA2 0.421 4.382 3.960 0.001 0.000 0.213 437 G HA3 0.421 4.382 3.960 0.001 0.000 0.213 437 G C 1.070 175.959 174.900 -0.018 0.000 1.142 437 G CA 1.470 46.560 45.100 -0.017 0.000 0.793 437 G HN 1.543 nan 8.290 nan 0.000 0.534 438 S N -1.134 114.567 115.700 0.003 0.000 3.245 438 S HA -0.278 4.192 4.470 0.001 0.000 0.631 438 S C 1.968 176.520 174.600 -0.081 0.000 2.821 438 S CA 0.700 58.940 58.200 0.067 0.000 3.266 438 S CB -1.389 61.894 63.200 0.138 0.000 0.314 438 S HN 1.345 nan 8.310 nan 0.000 1.621 439 A N 0.668 123.559 122.820 0.117 0.000 2.024 439 A HA -0.140 4.181 4.320 0.001 0.000 0.220 439 A C 2.002 179.522 177.584 -0.107 0.000 1.164 439 A CA 2.127 54.194 52.037 0.050 0.000 0.643 439 A CB -0.536 18.655 19.000 0.318 0.000 0.806 439 A HN 0.529 nan 8.150 nan 0.000 0.451 440 R N 0.543 120.999 120.500 -0.073 0.000 2.162 440 R HA -0.251 4.089 4.340 0.001 0.000 0.245 440 R C 2.075 178.296 176.300 -0.132 0.000 1.129 440 R CA 2.226 58.268 56.100 -0.097 0.000 0.940 440 R CB -0.961 29.305 30.300 -0.055 0.000 0.875 440 R HN 0.926 nan 8.270 nan 0.000 0.437 441 E N 0.082 120.203 120.200 -0.132 0.000 2.072 441 E HA -0.095 4.255 4.350 0.001 0.000 0.191 441 E C 1.964 178.506 176.600 -0.097 0.000 0.985 441 E CA 1.440 57.775 56.400 -0.109 0.000 0.801 441 E CB -0.430 29.208 29.700 -0.102 0.000 0.750 441 E HN 0.123 nan 8.360 nan 0.000 0.452 442 V N 1.738 121.541 119.914 -0.185 0.000 2.594 442 V HA -0.223 3.897 4.120 0.001 0.000 0.253 442 V C 2.223 178.362 176.094 0.073 0.000 1.069 442 V CA 1.955 64.200 62.300 -0.092 0.000 1.082 442 V CB -0.604 31.045 31.823 -0.289 0.000 0.680 442 V HN 0.214 nan 8.190 nan 0.000 0.469 443 K N 0.287 120.569 120.400 -0.196 0.000 2.025 443 K HA -0.173 4.147 4.320 0.001 0.000 0.207 443 K C 2.150 178.674 176.600 -0.127 0.000 1.049 443 K CA 1.541 57.479 56.287 -0.582 0.000 0.933 443 K CB -0.166 31.755 32.500 -0.964 0.000 0.714 443 K HN 0.421 nan 8.250 nan 0.000 0.438 444 E N 0.629 120.789 120.200 -0.068 0.000 2.472 444 E HA -0.112 4.239 4.350 0.001 0.000 0.200 444 E C 0.281 176.930 176.600 0.082 0.000 1.046 444 E CA -0.060 56.342 56.400 0.003 0.000 0.871 444 E CB 0.057 29.736 29.700 -0.034 0.000 0.806 444 E HN 0.217 nan 8.360 nan 0.000 0.533 445 H N 0.302 119.410 119.070 0.064 0.000 2.972 445 H HA -0.032 4.524 4.556 0.001 0.000 0.343 445 H C -1.822 173.492 175.328 -0.023 0.000 1.054 445 H CA -0.869 55.179 56.048 0.000 0.000 1.412 445 H CB 1.239 30.970 29.762 -0.051 0.000 1.385 445 H HN -0.018 nan 8.280 nan 0.000 0.600 446 P HA -0.141 nan 4.420 nan 0.000 0.228 446 P C 1.604 178.833 177.300 -0.118 0.000 1.151 446 P CA 0.387 63.320 63.100 -0.278 0.000 0.770 446 P CB 0.146 31.631 31.700 -0.358 0.000 0.786 447 L N -1.127 120.098 121.223 0.002 0.000 2.056 447 L HA -0.002 4.338 4.340 0.001 0.000 0.207 447 L C 0.920 177.722 176.870 -0.112 0.000 1.078 447 L CA 1.580 56.364 54.840 -0.092 0.000 0.749 447 L CB -1.312 40.595 42.059 -0.253 0.000 0.901 447 L HN -0.179 nan 8.230 nan 0.000 0.433 448 F N 0.670 120.758 119.950 0.229 0.000 2.668 448 F HA 0.163 4.690 4.527 0.000 0.000 0.365 448 F C 1.667 177.564 175.800 0.161 0.000 1.165 448 F CA -0.185 57.946 58.000 0.218 0.000 1.344 448 F CB -1.353 37.881 39.000 0.390 0.000 1.658 448 F HN 0.046 nan 8.300 nan 0.000 0.620 449 K N 0.976 121.500 120.400 0.207 0.000 1.969 449 K HA -0.132 4.188 4.320 0.001 0.000 0.216 449 K C 1.069 177.754 176.600 0.141 0.000 1.048 449 K CA 1.437 57.805 56.287 0.134 0.000 0.948 449 K CB -0.017 32.529 32.500 0.076 0.000 0.726 449 K HN 0.266 nan 8.250 nan 0.000 0.442 450 K N 0.923 121.402 120.400 0.131 0.000 2.827 450 K HA 0.237 4.557 4.320 0.001 0.000 0.222 450 K C -0.658 176.004 176.600 0.103 0.000 1.114 450 K CA -0.092 56.256 56.287 0.102 0.000 1.206 450 K CB 0.196 32.744 32.500 0.080 0.000 1.035 450 K HN 0.041 nan 8.250 nan 0.000 0.464 451 L N 0.182 121.480 121.223 0.124 0.000 2.354 451 L HA 0.392 4.732 4.340 0.001 0.000 0.269 451 L C -0.443 176.464 176.870 0.061 0.000 1.005 451 L CA -1.127 53.743 54.840 0.049 0.000 0.819 451 L CB 1.622 43.665 42.059 -0.027 0.000 1.311 451 L HN 0.030 nan 8.230 nan 0.000 0.423 452 N N 1.089 119.777 118.700 -0.019 0.000 2.564 452 N HA 0.262 5.002 4.740 0.001 0.000 0.248 452 N C 0.266 175.757 175.510 -0.030 0.000 0.986 452 N CA -0.283 52.786 53.050 0.032 0.000 0.921 452 N CB 0.837 39.341 38.487 0.029 0.000 1.136 452 N HN 0.429 nan 8.380 nan 0.000 0.509 453 F N 1.926 121.844 119.950 -0.054 0.000 2.333 453 F HA -0.025 4.502 4.527 0.001 0.000 0.300 453 F C 2.237 178.012 175.800 -0.043 0.000 1.083 453 F CA 0.940 58.892 58.000 -0.081 0.000 1.395 453 F CB 0.268 39.213 39.000 -0.091 0.000 1.056 453 F HN 0.450 nan 8.300 nan 0.000 0.529 454 K N 0.220 120.698 120.400 0.129 0.000 2.057 454 K HA -0.142 4.178 4.320 0.001 0.000 0.207 454 K C 2.137 178.754 176.600 0.027 0.000 1.049 454 K CA 1.353 57.681 56.287 0.068 0.000 0.931 454 K CB 0.016 32.545 32.500 0.049 0.000 0.714 454 K HN 0.146 nan 8.250 nan 0.000 0.440 455 R N -0.209 120.293 120.500 0.004 0.000 2.161 455 R HA 0.007 4.348 4.340 0.001 0.000 0.213 455 R C 2.139 178.423 176.300 -0.026 0.000 1.055 455 R CA 0.349 56.443 56.100 -0.010 0.000 0.996 455 R CB -0.013 30.285 30.300 -0.003 0.000 0.901 455 R HN 0.120 nan 8.270 nan 0.000 0.456 456 L N -0.197 120.972 121.223 -0.088 0.000 2.179 456 L HA 0.095 4.435 4.340 0.001 0.000 0.208 456 L C 1.861 178.754 176.870 0.039 0.000 1.096 456 L CA 1.310 56.077 54.840 -0.123 0.000 0.779 456 L CB -0.230 41.571 42.059 -0.430 0.000 0.922 456 L HN 0.148 nan 8.230 nan 0.000 0.443 457 G N -1.655 107.177 108.800 0.053 0.000 2.956 457 G HA2 0.109 4.069 3.960 0.001 0.000 0.207 457 G HA3 0.109 4.069 3.960 0.001 0.000 0.207 457 G C 1.102 176.014 174.900 0.021 0.000 1.162 457 G CA 0.541 45.726 45.100 0.142 0.000 0.796 457 G HN 0.508 nan 8.290 nan 0.000 0.527 458 A N -1.223 121.588 122.820 -0.015 0.000 2.287 458 A HA 0.537 4.858 4.320 0.001 0.000 0.214 458 A C 1.824 179.335 177.584 -0.121 0.000 1.228 458 A CA 1.122 53.116 52.037 -0.072 0.000 0.939 458 A CB 0.112 19.086 19.000 -0.043 0.000 0.992 458 A HN 1.410 nan 8.150 nan 0.000 0.502 459 G N -0.485 108.257 108.800 -0.097 0.000 2.136 459 G HA2 -0.262 3.699 3.960 0.001 0.000 0.242 459 G HA3 -0.262 3.699 3.960 0.001 0.000 0.242 459 G C 0.499 175.385 174.900 -0.022 0.000 0.989 459 G CA 0.520 45.514 45.100 -0.177 0.000 0.682 459 G HN 0.371 nan 8.290 nan 0.000 0.522 460 M N -0.103 119.506 119.600 0.016 0.000 2.608 460 M HA 0.414 4.895 4.480 0.001 0.000 0.224 460 M C 0.370 176.725 176.300 0.091 0.000 1.204 460 M CA 0.681 56.004 55.300 0.038 0.000 0.984 460 M CB 0.265 32.871 32.600 0.010 0.000 1.691 460 M HN 0.176 nan 8.290 nan 0.000 0.469 461 L N 0.108 121.440 121.223 0.182 0.000 2.376 461 L HA 0.353 4.693 4.340 0.001 0.000 0.275 461 L C -0.090 176.977 176.870 0.328 0.000 0.987 461 L CA -0.759 54.225 54.840 0.241 0.000 0.828 461 L CB 1.989 44.191 42.059 0.238 0.000 1.249 461 L HN -0.018 nan 8.230 nan 0.000 0.409 462 E N 6.130 126.428 120.200 0.163 0.000 2.406 462 E HA 0.082 4.433 4.350 0.001 0.000 0.258 462 E C -2.175 174.323 176.600 -0.171 0.000 1.043 462 E CA -1.054 55.356 56.400 0.017 0.000 0.929 462 E CB 0.565 30.259 29.700 -0.010 0.000 0.969 462 E HN 0.148 nan 8.360 nan 0.000 0.462 463 P HA 0.026 nan 4.420 nan 0.000 0.271 463 P C -2.146 174.789 177.300 -0.609 0.000 1.216 463 P CA -1.223 61.207 63.100 -1.117 0.000 0.771 463 P CB 0.823 31.986 31.700 -0.895 0.000 0.864 464 P HA -0.095 nan 4.420 nan 0.000 0.219 464 P C 0.103 177.339 177.300 -0.105 0.000 1.146 464 P CA 1.171 64.124 63.100 -0.246 0.000 0.808 464 P CB 0.095 31.672 31.700 -0.206 0.000 0.779 465 F N 0.794 120.571 119.950 -0.288 0.000 2.493 465 F HA 0.550 5.077 4.527 0.001 0.000 0.329 465 F C -0.296 175.396 175.800 -0.179 0.000 1.126 465 F CA -1.753 56.133 58.000 -0.191 0.000 0.937 465 F CB 1.651 40.541 39.000 -0.183 0.000 1.146 465 F HN -0.410 nan 8.300 nan 0.000 0.442 466 K N 7.956 127.776 120.400 -0.967 0.000 2.307 466 K HA 0.529 4.849 4.320 0.001 0.000 0.263 466 K C -2.803 173.088 176.600 -1.182 0.000 0.973 466 K CA -2.026 53.734 56.287 -0.877 0.000 0.846 466 K CB 1.344 33.585 32.500 -0.431 0.000 1.100 466 K HN 0.357 nan 8.250 nan 0.000 0.438 467 P HA 0.001 nan 4.420 nan 0.000 0.271 467 P C -1.103 176.147 177.300 -0.083 0.000 1.216 467 P CA -0.268 62.579 63.100 -0.421 0.000 0.776 467 P CB 0.555 32.089 31.700 -0.276 0.000 0.881 468 D N 4.038 124.550 120.400 0.187 0.000 2.401 468 D HA 0.010 4.650 4.640 0.001 0.000 0.254 468 D C -1.110 175.258 176.300 0.114 0.000 1.192 468 D CA -1.510 52.561 54.000 0.118 0.000 0.885 468 D CB 0.408 41.288 40.800 0.132 0.000 1.147 468 D HN 0.199 nan 8.370 nan 0.000 0.478 469 P HA -0.182 nan 4.420 nan 0.000 0.219 469 P C 0.375 177.666 177.300 -0.015 0.000 1.146 469 P CA 1.137 64.233 63.100 -0.007 0.000 0.808 469 P CB 0.207 31.875 31.700 -0.054 0.000 0.779 470 Q N -0.613 119.171 119.800 -0.026 0.000 2.212 470 Q HA 0.397 4.737 4.340 0.001 0.000 0.213 470 Q C 0.124 176.067 176.000 -0.095 0.000 0.874 470 Q CA -0.371 55.400 55.803 -0.053 0.000 0.965 470 Q CB 0.274 28.986 28.738 -0.043 0.000 1.074 470 Q HN 0.138 nan 8.270 nan 0.000 0.473 471 A N 0.868 123.602 122.820 -0.143 0.000 2.343 471 A HA 0.603 4.923 4.320 0.001 0.000 0.316 471 A C -0.723 176.572 177.584 -0.482 0.000 1.104 471 A CA -0.668 51.149 52.037 -0.367 0.000 0.768 471 A CB 0.749 19.408 19.000 -0.568 0.000 1.213 471 A HN 0.320 nan 8.150 nan 0.000 0.456 472 I N 2.417 122.739 120.570 -0.414 0.000 2.297 472 I HA 0.169 4.339 4.170 0.001 0.000 0.291 472 I C -0.979 174.881 176.117 -0.427 0.000 1.033 472 I CA -0.129 60.988 61.300 -0.305 0.000 1.253 472 I CB 0.494 38.382 38.000 -0.186 0.000 1.396 472 I HN 0.641 nan 8.210 nan 0.000 0.476 473 Y N 6.316 126.470 120.300 -0.242 0.000 2.826 473 Y HA 0.361 4.911 4.550 0.000 0.000 0.371 473 Y C 0.594 175.859 175.900 -1.058 0.000 1.252 473 Y CA -0.557 57.240 58.100 -0.505 0.000 1.813 473 Y CB 0.066 38.404 38.460 -0.202 0.000 1.913 473 Y HN 0.721 nan 8.280 nan 0.000 0.447 474 C N -2.658 116.044 119.300 -0.998 0.000 3.259 474 C HA 0.513 4.973 4.460 0.001 0.000 0.344 474 C C -0.673 174.119 174.990 -0.330 0.000 1.401 474 C CA -2.054 56.363 59.018 -1.002 0.000 1.219 474 C CB 0.829 28.311 27.740 -0.429 0.000 1.521 474 C HN 0.431 nan 8.230 nan 0.000 0.455 475 K N 1.083 121.469 120.400 -0.023 0.000 2.397 475 K HA 0.323 4.643 4.320 0.001 0.000 0.265 475 K C -0.119 176.488 176.600 0.012 0.000 0.982 475 K CA 0.222 56.556 56.287 0.079 0.000 0.931 475 K CB 0.212 32.756 32.500 0.074 0.000 0.943 475 K HN 0.595 nan 8.250 nan 0.000 0.501 476 D N 0.327 120.745 120.400 0.029 0.000 2.358 476 D HA -0.018 4.623 4.640 0.001 0.000 0.244 476 D C 1.439 177.749 176.300 0.016 0.000 1.163 476 D CA -0.374 53.634 54.000 0.013 0.000 0.945 476 D CB 0.917 41.728 40.800 0.019 0.000 1.152 476 D HN 0.123 nan 8.370 nan 0.000 0.451 477 V N 0.852 120.774 119.914 0.013 0.000 2.250 477 V HA -0.276 3.845 4.120 0.001 0.000 0.250 477 V C 2.290 178.397 176.094 0.021 0.000 1.060 477 V CA 1.642 63.953 62.300 0.018 0.000 1.030 477 V CB -0.607 31.228 31.823 0.020 0.000 0.643 477 V HN 0.490 nan 8.190 nan 0.000 0.445 478 L N -0.099 121.136 121.223 0.021 0.000 2.465 478 L HA -0.066 4.274 4.340 0.001 0.000 0.224 478 L C 0.972 177.857 176.870 0.025 0.000 1.145 478 L CA 0.774 55.627 54.840 0.022 0.000 0.834 478 L CB -0.588 41.482 42.059 0.019 0.000 0.944 478 L HN 0.368 nan 8.230 nan 0.000 0.451 479 D N 0.524 120.941 120.400 0.028 0.000 2.519 479 D HA 0.290 4.931 4.640 0.001 0.000 0.238 479 D C -0.180 176.140 176.300 0.034 0.000 1.192 479 D CA 0.490 54.510 54.000 0.034 0.000 0.835 479 D CB 0.038 40.863 40.800 0.042 0.000 0.975 479 D HN 0.192 nan 8.370 nan 0.000 0.490 480 I N 0.321 120.910 120.570 0.031 0.000 2.569 480 I HA 0.166 4.337 4.170 0.001 0.000 0.290 480 I C 0.329 176.466 176.117 0.034 0.000 1.088 480 I CA -0.926 60.393 61.300 0.032 0.000 1.047 480 I CB 2.422 40.438 38.000 0.028 0.000 1.237 480 I HN -0.188 nan 8.210 nan 0.000 0.421 481 E N 4.395 124.619 120.200 0.040 0.000 2.410 481 E HA 0.233 4.583 4.350 0.001 0.000 0.255 481 E C -0.488 176.144 176.600 0.055 0.000 1.194 481 E CA -0.297 56.131 56.400 0.047 0.000 0.955 481 E CB 0.726 30.462 29.700 0.061 0.000 0.988 481 E HN 0.411 nan 8.360 nan 0.000 0.461 482 Q N 2.001 121.837 119.800 0.061 0.000 2.371 482 Q HA 0.144 4.484 4.340 0.001 0.000 0.244 482 Q C -1.691 174.368 176.000 0.099 0.000 0.882 482 Q CA -0.373 55.479 55.803 0.080 0.000 0.866 482 Q CB 0.773 29.543 28.738 0.052 0.000 1.399 482 Q HN 0.469 nan 8.270 nan 0.000 0.432 483 F N 1.618 121.569 119.950 0.002 0.000 2.545 483 F HA 0.099 4.626 4.527 0.001 0.000 0.348 483 F C 0.558 176.361 175.800 0.006 0.000 1.163 483 F CA 0.788 58.789 58.000 0.001 0.000 1.331 483 F CB 0.950 39.948 39.000 -0.004 0.000 1.138 483 F HN 0.415 nan 8.300 nan 0.000 0.602 484 S N 2.633 118.110 115.700 -0.372 0.000 2.571 484 S HA -0.008 4.462 4.470 0.001 0.000 0.297 484 S C 0.234 174.885 174.600 0.084 0.000 1.234 484 S CA 0.078 58.177 58.200 -0.169 0.000 1.120 484 S CB -0.529 62.489 63.200 -0.302 0.000 0.923 484 S HN 0.688 nan 8.310 nan 0.000 0.504 485 T N 0.969 115.569 114.554 0.076 0.000 3.462 485 T HA 0.196 4.546 4.350 0.001 0.000 0.257 485 T C 0.256 175.002 174.700 0.076 0.000 1.015 485 T CA -0.746 61.412 62.100 0.097 0.000 1.135 485 T CB -0.871 68.037 68.868 0.066 0.000 1.061 485 T HN 0.247 nan 8.240 nan 0.000 0.772 486 V N 4.327 124.304 119.914 0.105 0.000 2.529 486 V HA 0.134 4.254 4.120 0.001 0.000 0.292 486 V C 1.125 177.255 176.094 0.059 0.000 1.028 486 V CA -0.090 62.257 62.300 0.078 0.000 1.074 486 V CB 0.322 32.208 31.823 0.104 0.000 0.958 486 V HN 0.796 nan 8.190 nan 0.000 0.481 487 K N 3.301 123.726 120.400 0.041 0.000 2.894 487 K HA 0.476 4.796 4.320 0.001 0.000 0.325 487 K C 1.166 177.784 176.600 0.030 0.000 0.984 487 K CA 0.246 56.553 56.287 0.033 0.000 1.266 487 K CB 0.206 32.721 32.500 0.025 0.000 1.423 487 K HN 0.949 nan 8.250 nan 0.000 0.614 488 G N -0.034 108.780 108.800 0.023 0.000 2.176 488 G HA2 -0.181 3.779 3.960 0.001 0.000 0.252 488 G HA3 -0.181 3.779 3.960 0.001 0.000 0.252 488 G C -0.731 174.181 174.900 0.020 0.000 1.024 488 G CA 0.291 45.403 45.100 0.020 0.000 0.755 488 G HN 0.263 nan 8.290 nan 0.000 0.507 489 V N 0.061 119.988 119.914 0.022 0.000 2.525 489 V HA 0.503 4.623 4.120 0.001 0.000 0.299 489 V C -0.088 176.019 176.094 0.022 0.000 1.034 489 V CA -0.925 61.388 62.300 0.021 0.000 0.863 489 V CB 1.907 33.745 31.823 0.025 0.000 0.999 489 V HN 0.344 nan 8.190 nan 0.000 0.423 490 E N 4.228 124.439 120.200 0.018 0.000 2.171 490 E HA 0.555 4.905 4.350 0.001 0.000 0.271 490 E C -1.109 175.506 176.600 0.025 0.000 0.916 490 E CA -0.709 55.704 56.400 0.022 0.000 0.774 490 E CB 2.359 32.070 29.700 0.017 0.000 1.128 490 E HN 0.524 nan 8.360 nan 0.000 0.403 491 L N 2.768 124.015 121.223 0.041 0.000 2.349 491 L HA 0.258 4.599 4.340 0.001 0.000 0.275 491 L C 0.467 177.362 176.870 0.043 0.000 1.115 491 L CA 0.107 54.981 54.840 0.058 0.000 0.820 491 L CB 0.385 42.515 42.059 0.118 0.000 1.135 491 L HN 0.383 nan 8.230 nan 0.000 0.445 492 E N 3.231 123.440 120.200 0.016 0.000 2.227 492 E HA 0.254 4.605 4.350 0.001 0.000 0.268 492 E C -1.855 174.738 176.600 -0.011 0.000 0.907 492 E CA -1.870 54.530 56.400 -0.000 0.000 0.786 492 E CB 1.805 31.494 29.700 -0.019 0.000 1.191 492 E HN 0.305 nan 8.360 nan 0.000 0.411 493 P HA -0.197 nan 4.420 nan 0.000 0.221 493 P C 0.844 178.127 177.300 -0.028 0.000 1.141 493 P CA 1.383 64.483 63.100 -0.000 0.000 0.794 493 P CB 0.129 31.832 31.700 0.005 0.000 0.764 494 T N -1.039 113.485 114.554 -0.051 0.000 2.777 494 T HA -0.138 4.213 4.350 0.001 0.000 0.266 494 T C 1.123 175.748 174.700 -0.125 0.000 1.040 494 T CA 1.804 63.861 62.100 -0.071 0.000 1.141 494 T CB -0.948 67.875 68.868 -0.075 0.000 0.868 494 T HN 0.267 nan 8.240 nan 0.000 0.444 495 D N 1.180 121.452 120.400 -0.214 0.000 2.269 495 D HA -0.044 4.597 4.640 0.001 0.000 0.208 495 D C 2.292 178.181 176.300 -0.684 0.000 0.963 495 D CA 0.537 54.253 54.000 -0.474 0.000 0.864 495 D CB -0.220 40.238 40.800 -0.569 0.000 0.936 495 D HN 0.436 nan 8.370 nan 0.000 0.505 496 Q N 0.527 120.158 119.800 -0.281 0.000 2.061 496 Q HA -0.174 4.166 4.340 0.001 0.000 0.204 496 Q C 1.390 177.393 176.000 0.006 0.000 0.984 496 Q CA 1.240 57.034 55.803 -0.016 0.000 0.846 496 Q CB -0.045 28.737 28.738 0.074 0.000 0.902 496 Q HN 0.357 nan 8.270 nan 0.000 0.421 497 D N 0.089 120.483 120.400 -0.011 0.000 2.149 497 D HA -0.167 4.473 4.640 0.001 0.000 0.198 497 D C 1.624 177.949 176.300 0.041 0.000 0.990 497 D CA 0.912 54.924 54.000 0.021 0.000 0.839 497 D CB -0.220 40.591 40.800 0.017 0.000 0.948 497 D HN 0.191 nan 8.370 nan 0.000 0.460 498 F N 0.691 120.552 119.950 -0.148 0.000 2.146 498 F HA -0.183 4.344 4.527 0.001 0.000 0.298 498 F C 2.186 177.999 175.800 0.022 0.000 1.096 498 F CA 1.191 59.122 58.000 -0.115 0.000 1.275 498 F CB -0.618 38.239 39.000 -0.237 0.000 1.008 498 F HN -0.045 nan 8.300 nan 0.000 0.480 499 Y N 0.356 120.618 120.300 -0.064 0.000 2.128 499 Y HA -0.323 4.227 4.550 0.001 0.000 0.284 499 Y C 2.890 178.731 175.900 -0.097 0.000 1.154 499 Y CA 1.273 59.285 58.100 -0.146 0.000 1.149 499 Y CB -0.757 37.712 38.460 0.015 0.000 0.976 499 Y HN 0.198 nan 8.280 nan 0.000 0.505 500 Q N 1.101 120.967 119.800 0.110 0.000 2.045 500 Q HA -0.288 4.052 4.340 0.001 0.000 0.206 500 Q C 2.232 178.230 176.000 -0.003 0.000 0.991 500 Q CA 1.835 57.670 55.803 0.054 0.000 0.851 500 Q CB -0.203 28.559 28.738 0.041 0.000 0.911 500 Q HN 0.364 nan 8.270 nan 0.000 0.418 501 K N -0.664 119.707 120.400 -0.049 0.000 2.281 501 K HA -0.174 4.146 4.320 0.001 0.000 0.203 501 K C 1.760 178.298 176.600 -0.104 0.000 1.046 501 K CA 1.025 57.268 56.287 -0.074 0.000 0.938 501 K CB -0.095 32.368 32.500 -0.062 0.000 0.737 501 K HN 0.186 nan 8.250 nan 0.000 0.458 502 F N 0.619 120.382 119.950 -0.312 0.000 2.164 502 F HA 0.197 4.725 4.527 0.001 0.000 0.287 502 F C 0.711 176.427 175.800 -0.140 0.000 1.086 502 F CA 0.446 58.272 58.000 -0.290 0.000 1.249 502 F CB -0.209 38.523 39.000 -0.447 0.000 1.059 502 F HN -0.143 nan 8.300 nan 0.000 0.490 503 A N 0.926 123.769 122.820 0.038 0.000 2.906 503 A HA 0.233 4.554 4.320 0.001 0.000 0.289 503 A C 0.820 178.368 177.584 -0.060 0.000 1.675 503 A CA 0.462 52.495 52.037 -0.007 0.000 1.372 503 A CB -1.523 17.576 19.000 0.164 0.000 1.091 503 A HN 0.510 nan 8.150 nan 0.000 0.579 504 T N -0.879 113.582 114.554 -0.154 0.000 3.188 504 T HA 0.451 4.802 4.350 0.001 0.000 0.250 504 T C 1.257 175.908 174.700 -0.083 0.000 1.077 504 T CA 0.714 62.745 62.100 -0.116 0.000 0.967 504 T CB -0.445 68.334 68.868 -0.149 0.000 1.006 504 T HN 2.014 nan 8.240 nan 0.000 0.552 505 G N 2.209 110.995 108.800 -0.023 0.000 2.523 505 G HA2 -0.236 3.725 3.960 0.001 0.000 0.271 505 G HA3 -0.236 3.725 3.960 0.001 0.000 0.271 505 G C 0.151 175.080 174.900 0.049 0.000 1.146 505 G CA 0.010 45.125 45.100 0.024 0.000 0.961 505 G HN 1.428 nan 8.290 nan 0.000 0.549 506 S N -0.783 114.895 115.700 -0.037 0.000 2.713 506 S HA 0.737 5.208 4.470 0.001 0.000 0.283 506 S C -0.238 174.225 174.600 -0.229 0.000 1.161 506 S CA -0.025 58.084 58.200 -0.153 0.000 0.999 506 S CB 2.094 65.154 63.200 -0.234 0.000 1.039 506 S HN 1.561 nan 8.310 nan 0.000 0.548 507 V N 2.754 122.505 119.914 -0.273 0.000 2.347 507 V HA 0.317 4.437 4.120 0.001 0.000 0.280 507 V C -1.687 174.349 176.094 -0.097 0.000 1.021 507 V CA -1.793 60.405 62.300 -0.169 0.000 0.847 507 V CB 0.764 32.496 31.823 -0.151 0.000 0.990 507 V HN 0.689 nan 8.190 nan 0.000 0.444 508 P HA -0.218 nan 4.420 nan 0.000 0.216 508 P C 1.519 178.852 177.300 0.055 0.000 1.167 508 P CA 1.716 64.802 63.100 -0.024 0.000 0.933 508 P CB 0.196 31.879 31.700 -0.028 0.000 0.793 509 I N -1.005 119.573 120.570 0.013 0.000 2.133 509 I HA -0.142 4.029 4.170 0.001 0.000 0.238 509 I C -0.701 175.431 176.117 0.024 0.000 1.074 509 I CA 2.182 63.488 61.300 0.009 0.000 1.342 509 I CB -2.404 35.580 38.000 -0.027 0.000 1.053 509 I HN 0.069 nan 8.210 nan 0.000 0.404 510 P HA -0.205 nan 4.420 nan 0.000 0.215 510 P C 1.552 178.888 177.300 0.060 0.000 1.153 510 P CA 1.364 64.477 63.100 0.021 0.000 0.853 510 P CB -0.210 31.489 31.700 -0.003 0.000 0.788 511 W N 0.974 122.183 121.300 -0.152 0.000 2.317 511 W HA -0.240 4.420 4.660 0.001 0.000 0.318 511 W C 2.447 178.949 176.519 -0.027 0.000 1.227 511 W CA 1.929 59.203 57.345 -0.119 0.000 1.269 511 W CB -0.971 28.393 29.460 -0.160 0.000 1.155 511 W HN -0.045 nan 8.180 nan 0.000 0.484 512 Q N -0.240 119.719 119.800 0.266 0.000 2.030 512 Q HA -0.269 4.071 4.340 0.001 0.000 0.204 512 Q C 2.089 177.997 176.000 -0.153 0.000 0.986 512 Q CA 1.868 57.700 55.803 0.048 0.000 0.843 512 Q CB -0.685 28.101 28.738 0.080 0.000 0.904 512 Q HN 0.377 nan 8.270 nan 0.000 0.420 513 N N 0.742 119.389 118.700 -0.088 0.000 2.036 513 N HA -0.246 4.494 4.740 0.001 0.000 0.195 513 N C 1.651 177.089 175.510 -0.122 0.000 1.037 513 N CA 1.440 54.427 53.050 -0.106 0.000 0.855 513 N CB -0.429 38.021 38.487 -0.063 0.000 1.033 513 N HN 0.358 nan 8.380 nan 0.000 0.423 514 E N 0.595 120.740 120.200 -0.093 0.000 2.068 514 E HA -0.248 4.103 4.350 0.001 0.000 0.207 514 E C 1.874 178.368 176.600 -0.176 0.000 1.032 514 E CA 1.594 57.941 56.400 -0.089 0.000 0.839 514 E CB -0.026 29.658 29.700 -0.027 0.000 0.758 514 E HN 0.155 nan 8.360 nan 0.000 0.457 515 M N 0.207 119.611 119.600 -0.325 0.000 2.143 515 M HA -0.172 4.309 4.480 0.001 0.000 0.258 515 M C 2.376 178.594 176.300 -0.137 0.000 1.071 515 M CA 1.119 56.245 55.300 -0.290 0.000 1.088 515 M CB -0.815 31.515 32.600 -0.450 0.000 1.360 515 M HN 0.171 nan 8.290 nan 0.000 0.404 516 V N -0.192 119.619 119.914 -0.171 0.000 2.407 516 V HA -0.190 3.931 4.120 0.001 0.000 0.245 516 V C 2.149 178.209 176.094 -0.055 0.000 1.041 516 V CA 1.466 63.697 62.300 -0.114 0.000 1.040 516 V CB -0.738 30.963 31.823 -0.204 0.000 0.671 516 V HN 0.448 nan 8.190 nan 0.000 0.455 517 E N 1.008 121.162 120.200 -0.078 0.000 2.051 517 E HA -0.199 4.151 4.350 0.001 0.000 0.192 517 E C 2.159 178.726 176.600 -0.055 0.000 0.991 517 E CA 1.891 58.254 56.400 -0.062 0.000 0.799 517 E CB -0.399 29.257 29.700 -0.072 0.000 0.748 517 E HN 0.761 nan 8.360 nan 0.000 0.449 518 T N -1.446 113.066 114.554 -0.069 0.000 3.163 518 T HA -0.043 4.307 4.350 0.001 0.000 0.260 518 T C 0.570 175.225 174.700 -0.074 0.000 1.156 518 T CA 0.684 62.733 62.100 -0.085 0.000 1.072 518 T CB -0.203 68.600 68.868 -0.108 0.000 0.937 518 T HN 0.219 nan 8.240 nan 0.000 0.528 519 E N -1.500 118.689 120.200 -0.017 0.000 3.799 519 E HA -0.258 4.093 4.350 0.001 0.000 0.320 519 E C 1.287 177.938 176.600 0.085 0.000 0.760 519 E CA 0.814 57.236 56.400 0.037 0.000 1.153 519 E CB -2.579 27.131 29.700 0.016 0.000 1.589 519 E HN 0.693 nan 8.360 nan 0.000 0.448 520 C N 0.144 119.482 119.300 0.064 0.000 2.413 520 C HA -0.165 4.295 4.460 0.001 0.000 0.277 520 C C 2.293 177.482 174.990 0.333 0.000 1.265 520 C CA 1.248 60.384 59.018 0.197 0.000 1.752 520 C CB -1.189 26.646 27.740 0.159 0.000 1.998 520 C HN 0.552 nan 8.230 nan 0.000 0.489 521 F N 1.938 121.929 119.950 0.068 0.000 2.031 521 F HA -0.202 4.326 4.527 0.001 0.000 0.295 521 F C 2.594 178.507 175.800 0.188 0.000 1.133 521 F CA 2.351 60.348 58.000 -0.005 0.000 1.188 521 F CB -0.864 37.964 39.000 -0.287 0.000 0.974 521 F HN 0.101 nan 8.300 nan 0.000 0.473 522 Q N 0.706 120.594 119.800 0.146 0.000 2.181 522 Q HA -0.240 4.100 4.340 0.001 0.000 0.205 522 Q C 2.001 178.033 176.000 0.054 0.000 0.980 522 Q CA 2.088 57.922 55.803 0.053 0.000 0.862 522 Q CB -0.484 28.351 28.738 0.161 0.000 0.905 522 Q HN 0.583 nan 8.270 nan 0.000 0.429 523 E N -0.682 119.602 120.200 0.140 0.000 2.046 523 E HA -0.057 4.293 4.350 0.001 0.000 0.190 523 E C 1.708 178.410 176.600 0.170 0.000 0.982 523 E CA 1.108 57.616 56.400 0.180 0.000 0.800 523 E CB -0.259 29.616 29.700 0.292 0.000 0.756 523 E HN 0.464 nan 8.360 nan 0.000 0.449 524 L N 0.199 121.561 121.223 0.231 0.000 2.162 524 L HA 0.019 4.360 4.340 0.001 0.000 0.205 524 L C 2.167 179.244 176.870 0.344 0.000 1.086 524 L CA 0.877 55.837 54.840 0.199 0.000 0.778 524 L CB -0.236 41.938 42.059 0.190 0.000 0.928 524 L HN 0.193 nan 8.230 nan 0.000 0.446 525 N N -0.136 118.766 118.700 0.336 0.000 2.084 525 N HA -0.164 4.576 4.740 0.001 0.000 0.190 525 N C 0.723 176.331 175.510 0.163 0.000 1.030 525 N CA 0.661 53.883 53.050 0.287 0.000 0.849 525 N CB -0.109 38.123 38.487 -0.424 0.000 1.012 525 N HN 0.027 nan 8.380 nan 0.000 0.423 526 V N 1.539 121.493 119.914 0.067 0.000 2.493 526 V HA 0.185 4.305 4.120 0.001 0.000 0.292 526 V C -0.635 175.543 176.094 0.141 0.000 1.016 526 V CA -0.128 62.202 62.300 0.051 0.000 1.097 526 V CB -0.899 30.943 31.823 0.032 0.000 0.947 526 V HN 0.254 nan 8.190 nan 0.000 0.479 527 F N 5.877 125.833 119.950 0.009 0.000 2.532 527 F HA 0.931 5.458 4.527 0.001 0.000 0.321 527 F C 0.445 176.243 175.800 -0.004 0.000 1.089 527 F CA -0.913 57.089 58.000 0.002 0.000 0.926 527 F CB 1.888 40.881 39.000 -0.011 0.000 1.168 527 F HN 0.842 nan 8.300 nan 0.000 0.459 528 G N 2.967 111.965 108.800 0.329 0.000 2.425 528 G HA2 -0.164 3.796 3.960 0.001 0.000 0.177 528 G HA3 -0.164 3.796 3.960 0.001 0.000 0.177 528 G C 0.254 175.218 174.900 0.106 0.000 0.999 528 G CA 0.137 45.350 45.100 0.189 0.000 0.723 528 G HN 0.742 nan 8.290 nan 0.000 0.491 529 L N 0.574 121.853 121.223 0.093 0.000 2.425 529 L HA 0.345 4.686 4.340 0.001 0.000 0.215 529 L C 0.276 177.179 176.870 0.055 0.000 1.065 529 L CA 0.124 55.000 54.840 0.060 0.000 0.842 529 L CB 0.115 42.202 42.059 0.048 0.000 1.033 529 L HN 0.023 nan 8.230 nan 0.000 0.474 530 D N 0.195 120.631 120.400 0.061 0.000 2.256 530 D HA 0.314 4.955 4.640 0.001 0.000 0.250 530 D C 1.059 177.380 176.300 0.033 0.000 1.093 530 D CA 0.937 54.960 54.000 0.038 0.000 0.882 530 D CB 1.607 42.423 40.800 0.027 0.000 1.185 530 D HN 0.236 nan 8.370 nan 0.000 0.437 531 G N 1.963 110.776 108.800 0.021 0.000 2.302 531 G HA2 -0.408 3.552 3.960 0.001 0.000 0.263 531 G HA3 -0.408 3.552 3.960 0.001 0.000 0.263 531 G C 1.185 176.100 174.900 0.025 0.000 0.995 531 G CA 0.954 46.064 45.100 0.016 0.000 0.622 531 G HN 0.583 nan 8.290 nan 0.000 0.538 532 S N -0.348 115.374 115.700 0.037 0.000 2.571 532 S HA 0.216 4.686 4.470 0.001 0.000 0.245 532 S C 0.995 175.615 174.600 0.033 0.000 0.976 532 S CA 0.832 59.057 58.200 0.042 0.000 0.954 532 S CB -0.232 62.999 63.200 0.053 0.000 0.756 532 S HN 1.237 nan 8.310 nan 0.000 0.535 533 V N 3.911 123.841 119.914 0.026 0.000 2.421 533 V HA 0.230 4.351 4.120 0.001 0.000 0.271 533 V C -1.891 174.216 176.094 0.022 0.000 1.031 533 V CA -2.047 60.266 62.300 0.022 0.000 1.032 533 V CB -0.673 31.160 31.823 0.018 0.000 1.009 533 V HN 0.293 nan 8.190 nan 0.000 0.477 534 P HA 0.139 nan 4.420 nan 0.000 0.260 534 P C -2.185 175.128 177.300 0.022 0.000 1.185 534 P CA -0.670 62.445 63.100 0.025 0.000 0.763 534 P CB -0.066 31.649 31.700 0.025 0.000 0.776 535 P HA 0.075 nan 4.420 nan 0.000 0.272 535 P C 0.089 177.399 177.300 0.017 0.000 1.230 535 P CA 0.015 63.127 63.100 0.020 0.000 0.788 535 P CB 0.870 32.587 31.700 0.027 0.000 0.949 536 D N -0.081 120.325 120.400 0.009 0.000 2.194 536 D HA 0.076 4.716 4.640 0.001 0.000 0.204 536 D C 0.471 176.771 176.300 0.002 0.000 0.964 536 D CA 1.237 55.240 54.000 0.005 0.000 0.846 536 D CB -0.070 40.728 40.800 -0.003 0.000 0.962 536 D HN 0.276 nan 8.370 nan 0.000 0.490 537 L N 0.827 122.049 121.223 -0.001 0.000 2.388 537 L HA 0.298 4.638 4.340 0.001 0.000 0.264 537 L C -0.089 176.782 176.870 0.002 0.000 0.998 537 L CA -1.291 53.541 54.840 -0.012 0.000 0.817 537 L CB 2.191 44.230 42.059 -0.033 0.000 1.338 537 L HN -0.143 nan 8.230 nan 0.000 0.414 538 D N 0.670 121.066 120.400 -0.007 0.000 2.325 538 D HA -0.085 4.556 4.640 0.001 0.000 0.262 538 D C 1.168 177.488 176.300 0.033 0.000 1.263 538 D CA -0.228 53.797 54.000 0.042 0.000 1.020 538 D CB 0.263 41.094 40.800 0.051 0.000 1.117 538 D HN 0.674 nan 8.370 nan 0.000 0.545 539 W N 0.269 121.567 121.300 -0.004 0.000 2.363 539 W HA -0.115 4.546 4.660 0.001 0.000 0.296 539 W C 0.856 177.371 176.519 -0.006 0.000 1.212 539 W CA 1.161 58.503 57.345 -0.006 0.000 1.260 539 W CB -0.742 28.715 29.460 -0.006 0.000 1.131 539 W HN 0.469 nan 8.180 nan 0.000 0.530 540 K N 0.644 120.386 120.400 -1.097 0.000 2.500 540 K HA 0.389 4.709 4.320 0.001 0.000 0.206 540 K C 1.023 177.330 176.600 -0.488 0.000 1.034 540 K CA 0.405 56.041 56.287 -1.086 0.000 1.179 540 K CB -0.352 31.197 32.500 -1.585 0.000 0.884 540 K HN 0.076 nan 8.250 nan 0.000 0.493 541 G N 1.559 110.183 108.800 -0.294 0.000 2.295 541 G HA2 -0.227 3.733 3.960 0.001 0.000 0.287 541 G HA3 -0.227 3.733 3.960 0.001 0.000 0.287 541 G C -0.610 174.201 174.900 -0.147 0.000 1.055 541 G CA 0.021 45.022 45.100 -0.166 0.000 0.922 541 G HN 0.432 nan 8.290 nan 0.000 0.503 542 Q N -0.878 118.832 119.800 -0.150 0.000 2.348 542 Q HA 0.495 4.836 4.340 0.001 0.000 0.271 542 Q C -2.576 173.391 176.000 -0.055 0.000 1.067 542 Q CA -1.903 53.839 55.803 -0.102 0.000 0.839 542 Q CB 2.435 31.102 28.738 -0.119 0.000 1.354 542 Q HN 0.177 nan 8.270 nan 0.000 0.447 543 P HA 0.178 nan 4.420 nan 0.000 0.274 543 P C -2.176 175.123 177.300 -0.001 0.000 1.231 543 P CA -0.824 62.271 63.100 -0.009 0.000 0.790 543 P CB 0.065 31.767 31.700 0.003 0.000 0.951 544 P HA 0.262 nan 4.420 nan 0.000 0.297 544 P C -1.150 176.160 177.300 0.016 0.000 1.303 544 P CA -0.480 62.630 63.100 0.017 0.000 0.753 544 P CB 0.537 32.251 31.700 0.023 0.000 1.281 545 A N 0.767 123.599 122.820 0.019 0.000 2.322 545 A HA 0.600 4.920 4.320 0.001 0.000 0.327 545 A C -1.749 175.845 177.584 0.016 0.000 1.394 545 A CA -0.891 51.156 52.037 0.016 0.000 0.921 545 A CB -0.974 18.036 19.000 0.017 0.000 1.153 545 A HN 0.440 nan 8.150 nan 0.000 0.523 546 P HA 0.684 nan 4.420 nan 0.000 0.297 546 P C -3.039 174.271 177.300 0.017 0.000 1.307 546 P CA -1.837 61.272 63.100 0.015 0.000 0.773 546 P CB -0.232 31.476 31.700 0.013 0.000 1.265 547 P HA 0.167 nan 4.420 nan 0.000 0.277 547 P C -0.359 176.955 177.300 0.023 0.000 1.240 547 P CA -0.266 62.847 63.100 0.022 0.000 0.798 547 P CB 0.326 32.044 31.700 0.030 0.000 0.979 548 K N 2.548 122.961 120.400 0.022 0.000 2.430 548 K HA -0.053 4.267 4.320 0.001 0.000 0.280 548 K C 0.946 177.562 176.600 0.027 0.000 1.063 548 K CA 0.555 56.855 56.287 0.021 0.000 1.071 548 K CB 0.219 32.729 32.500 0.017 0.000 0.899 548 K HN 0.368 nan 8.250 nan 0.000 0.473 549 K N 1.120 121.536 120.400 0.026 0.000 2.283 549 K HA -0.105 4.215 4.320 0.001 0.000 0.202 549 K C 1.903 178.523 176.600 0.033 0.000 1.048 549 K CA 1.281 57.587 56.287 0.030 0.000 0.948 549 K CB 0.073 32.587 32.500 0.024 0.000 0.742 549 K HN 0.731 nan 8.250 nan 0.000 0.458 550 G N 0.943 109.758 108.800 0.026 0.000 2.464 550 G HA2 -0.171 3.789 3.960 0.001 0.000 0.217 550 G HA3 -0.171 3.789 3.960 0.001 0.000 0.217 550 G C 1.391 176.303 174.900 0.021 0.000 1.138 550 G CA 0.196 45.309 45.100 0.022 0.000 0.793 550 G HN 0.166 nan 8.290 nan 0.000 0.539 551 L N 0.581 121.816 121.223 0.020 0.000 2.005 551 L HA 0.156 4.496 4.340 0.001 0.000 0.207 551 L C 2.670 179.553 176.870 0.021 0.000 1.072 551 L CA 1.331 56.175 54.840 0.008 0.000 0.744 551 L CB -0.562 41.499 42.059 0.004 0.000 0.895 551 L HN 0.171 nan 8.230 nan 0.000 0.433 552 L N -0.560 120.707 121.223 0.074 0.000 1.997 552 L HA -0.336 4.005 4.340 0.001 0.000 0.216 552 L C 2.733 179.729 176.870 0.209 0.000 1.074 552 L CA 2.064 57.012 54.840 0.179 0.000 0.763 552 L CB -0.898 41.264 42.059 0.172 0.000 0.890 552 L HN 0.423 nan 8.230 nan 0.000 0.434 553 Q N -0.135 119.742 119.800 0.128 0.000 2.096 553 Q HA -0.233 4.107 4.340 0.001 0.000 0.204 553 Q C 2.033 178.074 176.000 0.068 0.000 0.982 553 Q CA 1.850 57.719 55.803 0.111 0.000 0.850 553 Q CB -0.204 28.573 28.738 0.065 0.000 0.901 553 Q HN 0.568 nan 8.270 nan 0.000 0.422 554 R N -0.016 120.492 120.500 0.015 0.000 2.320 554 R HA 0.074 4.414 4.340 0.001 0.000 0.211 554 R C 1.182 177.416 176.300 -0.111 0.000 0.931 554 R CA 0.337 56.419 56.100 -0.031 0.000 1.071 554 R CB 0.087 30.371 30.300 -0.026 0.000 1.025 554 R HN 0.188 nan 8.270 nan 0.000 0.495 555 L N -0.452 120.653 121.223 -0.198 0.000 2.664 555 L HA 0.375 4.715 4.340 0.001 0.000 0.233 555 L C 0.101 176.442 176.870 -0.882 0.000 1.113 555 L CA 0.076 54.593 54.840 -0.539 0.000 0.896 555 L CB 0.269 41.911 42.059 -0.694 0.000 1.163 555 L HN 0.155 nan 8.230 nan 0.000 0.497 556 F N -2.661 117.286 119.950 -0.005 0.000 2.027 556 F HA 0.236 4.763 4.527 0.000 0.000 0.213 556 F C 1.150 176.947 175.800 -0.004 0.000 1.294 556 F CA -0.467 57.530 58.000 -0.005 0.000 1.211 556 F CB -0.148 38.849 39.000 -0.005 0.000 2.009 556 F HN -0.400 nan 8.300 nan 0.000 0.111 557 S N 0.000 115.848 115.700 0.247 0.000 2.498 557 S HA 0.000 4.470 4.470 0.001 0.000 0.327 557 S CA 0.000 58.272 58.200 0.119 0.000 1.107 557 S CB 0.000 63.251 63.200 0.084 0.000 0.593 557 S HN 0.000 nan 8.310 nan 0.000 0.517