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 3cns_1_B DATA FIRST_RESID 9 DATA SEQUENCE KKVIIIGAGI AGLKAASTLH QNGIQDCLVL EARDRVGGRL QTVTGYQGRK DATA SEQUENCE YDIGASWHHD TLTNPLFLEE AQLSLNDGRT RFVFDDDNFI YIDEERGRVD DATA SEQUENCE HDKELLLEIV DNEMSKFAEL EFHXXXXXSD CSFFQLVMKY LLQRRQFLTN DATA SEQUENCE DQIRYLPQLC RYLELWHGLD WKLLSAKDTY FGHQGRNAFA LNYDSVVQRI DATA SEQUENCE AQSFPQNWLK LScEVKSITR EPSKNVTVNc EDGTVYNADY VIITVPQSVL DATA SEQUENCE NLSVQPXXNL RGRIEFQPPL KPVIQDAFDK IHFGALGKVI FEFEECCWSN DATA SEQUENCE ESSKIVTLAN STNEFVEIVR NAENLDELDS MLERXXXXXX TSVTCWSQPL DATA SEQUENCE FFVNLSKSTG VASFMMLMQA PLTNHIESIR EDKERLFSFF QPVLNKIMKC DATA SEQUENCE LDSEDVIDGM RPXENIANAN KPVLRNIIVS NWTRDPYSRG AYSACFPGDD DATA SEQUENCE PVDMVVAMSN GQDSRIRFAG EHTIMDGAGC AYGAWESGRR EATRISDLLK DATA SEQUENCE L 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.567 176.600 -0.055 0.000 0.988 9 K CA 0.000 56.259 56.287 -0.047 0.000 0.838 9 K CB 0.000 32.436 32.500 -0.107 0.000 1.064 10 K N 0.305 120.659 120.400 -0.077 0.000 1.978 10 K HA 0.006 4.326 4.320 0.000 0.000 0.214 10 K C 0.932 177.505 176.600 -0.045 0.000 1.049 10 K CA 1.311 57.570 56.287 -0.046 0.000 0.939 10 K CB -0.056 32.405 32.500 -0.066 0.000 0.721 10 K HN 0.377 nan 8.250 nan 0.000 0.441 11 V N 1.422 121.243 119.914 -0.155 0.000 2.709 11 V HA 0.377 4.497 4.120 0.000 0.000 0.308 11 V C -0.380 175.555 176.094 -0.265 0.000 1.062 11 V CA -0.733 61.476 62.300 -0.152 0.000 0.901 11 V CB 2.326 34.049 31.823 -0.168 0.000 1.003 11 V HN 0.095 nan 8.190 nan 0.000 0.425 12 I N 5.012 125.458 120.570 -0.206 0.000 2.355 12 I HA 0.473 4.643 4.170 0.000 0.000 0.288 12 I C -0.636 175.353 176.117 -0.214 0.000 0.999 12 I CA -0.376 60.768 61.300 -0.259 0.000 1.163 12 I CB 1.693 39.553 38.000 -0.232 0.000 1.316 12 I HN 0.444 nan 8.210 nan 0.000 0.454 13 I N 7.444 127.869 120.570 -0.242 0.000 2.297 13 I HA 0.312 4.482 4.170 0.000 0.000 0.291 13 I C -0.065 175.970 176.117 -0.137 0.000 1.033 13 I CA -0.383 60.813 61.300 -0.173 0.000 1.253 13 I CB 0.916 38.805 38.000 -0.184 0.000 1.396 13 I HN 0.386 nan 8.210 nan 0.000 0.476 14 I N 6.568 127.082 120.570 -0.092 0.000 2.291 14 I HA 0.481 4.651 4.170 0.000 0.000 0.292 14 I C 0.614 176.720 176.117 -0.020 0.000 1.064 14 I CA -0.078 61.184 61.300 -0.064 0.000 1.269 14 I CB 0.638 38.612 38.000 -0.043 0.000 1.418 14 I HN 0.818 nan 8.210 nan 0.000 0.485 15 G N 4.406 113.191 108.800 -0.026 0.000 3.363 15 G HA2 0.114 4.074 3.960 0.000 0.000 0.685 15 G HA3 0.114 4.074 3.960 0.000 0.000 0.685 15 G C -0.247 174.670 174.900 0.028 0.000 1.199 15 G CA -0.387 44.717 45.100 0.006 0.000 0.946 15 G HN 0.846 nan 8.290 nan 0.000 0.558 16 A N 1.669 124.514 122.820 0.041 0.000 2.640 16 A HA 0.732 5.052 4.320 0.000 0.000 0.282 16 A C 1.522 179.169 177.584 0.105 0.000 1.357 16 A CA 1.181 53.269 52.037 0.086 0.000 0.946 16 A CB -0.296 18.761 19.000 0.095 0.000 1.065 16 A HN 2.091 nan 8.150 nan 0.000 0.541 17 G N -0.824 108.034 108.800 0.097 0.000 2.553 17 G HA2 0.317 4.278 3.960 0.000 0.000 0.278 17 G HA3 0.317 4.278 3.960 0.000 0.000 0.278 17 G C 1.012 175.987 174.900 0.126 0.000 1.349 17 G CA -0.151 45.010 45.100 0.102 0.000 1.037 17 G HN 0.351 nan 8.290 nan 0.000 0.508 18 I N -0.184 120.463 120.570 0.128 0.000 2.394 18 I HA -0.112 4.058 4.170 0.000 0.000 0.251 18 I C 2.790 179.028 176.117 0.201 0.000 1.136 18 I CA 1.550 62.965 61.300 0.191 0.000 1.425 18 I CB -0.042 38.082 38.000 0.207 0.000 1.079 18 I HN 0.471 nan 8.210 nan 0.000 0.425 19 A N 0.672 123.582 122.820 0.152 0.000 1.858 19 A HA -0.143 4.177 4.320 0.000 0.000 0.216 19 A C 2.377 180.008 177.584 0.078 0.000 1.190 19 A CA 1.786 53.891 52.037 0.112 0.000 0.617 19 A CB -1.656 17.409 19.000 0.107 0.000 0.827 19 A HN 0.484 nan 8.150 nan 0.000 0.443 20 G N -0.197 108.652 108.800 0.081 0.000 2.446 20 G HA2 -0.196 3.764 3.960 0.000 0.000 0.217 20 G HA3 -0.196 3.764 3.960 0.000 0.000 0.217 20 G C 1.550 176.488 174.900 0.063 0.000 1.168 20 G CA 1.117 46.245 45.100 0.047 0.000 0.771 20 G HN 0.435 nan 8.290 nan 0.000 0.551 21 L N -0.193 121.123 121.223 0.155 0.000 2.131 21 L HA -0.026 4.314 4.340 0.000 0.000 0.210 21 L C 2.875 179.910 176.870 0.276 0.000 1.092 21 L CA 0.949 55.960 54.840 0.286 0.000 0.759 21 L CB -0.315 41.940 42.059 0.328 0.000 0.903 21 L HN 0.093 nan 8.230 nan 0.000 0.435 22 K N 0.706 121.209 120.400 0.173 0.000 2.062 22 K HA -0.049 4.271 4.320 0.000 0.000 0.205 22 K C 2.140 178.741 176.600 0.002 0.000 1.051 22 K CA 1.414 57.747 56.287 0.076 0.000 0.941 22 K CB -0.210 32.208 32.500 -0.137 0.000 0.719 22 K HN 0.210 nan 8.250 nan 0.000 0.440 23 A N 1.123 123.927 122.820 -0.028 0.000 1.917 23 A HA -0.168 4.152 4.320 0.000 0.000 0.219 23 A C 2.372 179.936 177.584 -0.033 0.000 1.182 23 A CA 2.452 54.456 52.037 -0.055 0.000 0.633 23 A CB -0.736 18.225 19.000 -0.066 0.000 0.819 23 A HN 0.389 nan 8.150 nan 0.000 0.448 24 A N -1.067 121.711 122.820 -0.070 0.000 1.898 24 A HA -0.069 4.252 4.320 0.000 0.000 0.216 24 A C 2.477 180.123 177.584 0.104 0.000 1.181 24 A CA 2.088 54.039 52.037 -0.144 0.000 0.620 24 A CB -1.025 17.456 19.000 -0.864 0.000 0.819 24 A HN 0.593 nan 8.150 nan 0.000 0.442 25 S N -0.894 114.962 115.700 0.260 0.000 2.370 25 S HA -0.168 4.302 4.470 0.000 0.000 0.226 25 S C 2.078 176.811 174.600 0.221 0.000 1.033 25 S CA 2.392 60.817 58.200 0.376 0.000 1.011 25 S CB -0.590 62.805 63.200 0.325 0.000 0.852 25 S HN 0.634 nan 8.310 nan 0.000 0.457 26 T N 2.970 117.591 114.554 0.113 0.000 2.668 26 T HA 0.046 4.397 4.350 0.000 0.000 0.262 26 T C 1.803 176.549 174.700 0.076 0.000 1.045 26 T CA 1.471 63.599 62.100 0.047 0.000 1.152 26 T CB -0.585 68.260 68.868 -0.037 0.000 0.864 26 T HN 0.322 nan 8.240 nan 0.000 0.419 27 L N 0.371 121.652 121.223 0.097 0.000 2.051 27 L HA -0.249 4.091 4.340 0.000 0.000 0.214 27 L C 2.610 179.628 176.870 0.246 0.000 1.076 27 L CA 1.884 56.804 54.840 0.133 0.000 0.758 27 L CB -0.630 41.503 42.059 0.122 0.000 0.890 27 L HN 0.393 nan 8.230 nan 0.000 0.433 28 H N -0.214 118.976 119.070 0.201 0.000 2.363 28 H HA -0.180 4.376 4.556 0.000 0.000 0.301 28 H C 2.267 177.626 175.328 0.051 0.000 1.074 28 H CA 1.723 57.834 56.048 0.103 0.000 1.354 28 H CB 0.019 29.745 29.762 -0.061 0.000 1.397 28 H HN 0.273 nan 8.280 nan 0.000 0.516 29 Q N -0.086 119.706 119.800 -0.014 0.000 2.297 29 Q HA -0.129 4.211 4.340 0.000 0.000 0.208 29 Q C 0.312 176.256 176.000 -0.093 0.000 0.981 29 Q CA 1.380 57.128 55.803 -0.092 0.000 0.876 29 Q CB 0.081 28.818 28.738 -0.001 0.000 0.921 29 Q HN 0.382 nan 8.270 nan 0.000 0.446 30 N N -0.612 118.062 118.700 -0.045 0.000 2.378 30 N HA 0.172 4.912 4.740 0.000 0.000 0.243 30 N C 0.209 175.702 175.510 -0.029 0.000 1.137 30 N CA 0.701 53.730 53.050 -0.035 0.000 0.862 30 N CB 0.673 39.148 38.487 -0.020 0.000 1.116 30 N HN 0.389 nan 8.380 nan 0.000 0.499 31 G N 0.052 108.809 108.800 -0.071 0.000 2.284 31 G HA2 -0.321 3.639 3.960 0.000 0.000 0.268 31 G HA3 -0.321 3.639 3.960 0.000 0.000 0.268 31 G C 0.367 175.302 174.900 0.059 0.000 0.980 31 G CA 0.102 45.180 45.100 -0.035 0.000 0.631 31 G HN 0.334 nan 8.290 nan 0.000 0.548 32 I N 1.034 121.662 120.570 0.097 0.000 2.775 32 I HA 0.146 4.316 4.170 0.000 0.000 0.290 32 I C 0.922 177.234 176.117 0.325 0.000 1.203 32 I CA 1.015 62.405 61.300 0.151 0.000 1.433 32 I CB 0.343 38.411 38.000 0.113 0.000 1.354 32 I HN 0.412 nan 8.210 nan 0.000 0.579 33 Q N 2.757 122.729 119.800 0.285 0.000 2.873 33 Q HA 0.302 4.642 4.340 0.000 0.000 0.297 33 Q C -0.979 175.195 176.000 0.291 0.000 1.064 33 Q CA -0.890 55.170 55.803 0.428 0.000 0.816 33 Q CB 1.300 30.200 28.738 0.271 0.000 1.481 33 Q HN 0.515 nan 8.270 nan 0.000 0.488 34 D N 0.022 120.626 120.400 0.340 0.000 2.803 34 D HA -0.159 4.482 4.640 0.000 0.000 0.233 34 D C -1.340 174.789 176.300 -0.285 0.000 1.182 34 D CA 0.564 54.614 54.000 0.082 0.000 0.726 34 D CB -1.326 39.506 40.800 0.053 0.000 0.987 34 D HN 0.347 nan 8.370 nan 0.000 0.412 35 C N 0.401 119.133 119.300 -0.946 0.000 2.848 35 C HA 0.846 5.307 4.460 0.000 0.000 0.317 35 C C 0.292 174.409 174.990 -1.455 0.000 1.260 35 C CA -0.805 57.381 59.018 -1.386 0.000 1.656 35 C CB 1.787 28.324 27.740 -2.005 0.000 2.174 35 C HN 0.411 nan 8.230 nan 0.000 0.479 36 L N 1.357 122.057 121.223 -0.872 0.000 2.422 36 L HA 0.697 5.037 4.340 0.000 0.000 0.264 36 L C -1.145 175.477 176.870 -0.414 0.000 0.984 36 L CA -0.582 53.920 54.840 -0.563 0.000 0.819 36 L CB 1.995 43.747 42.059 -0.511 0.000 1.330 36 L HN 0.335 nan 8.230 nan 0.000 0.410 37 V N 4.022 123.789 119.914 -0.244 0.000 2.350 37 V HA 0.367 4.487 4.120 0.000 0.000 0.285 37 V C -0.127 175.898 176.094 -0.115 0.000 1.014 37 V CA -0.373 61.831 62.300 -0.159 0.000 0.831 37 V CB 1.553 33.335 31.823 -0.069 0.000 1.000 37 V HN 0.473 nan 8.190 nan 0.000 0.433 38 L N 4.257 125.395 121.223 -0.142 0.000 2.270 38 L HA 0.559 4.899 4.340 0.000 0.000 0.286 38 L C 0.058 176.880 176.870 -0.080 0.000 1.059 38 L CA -0.292 54.479 54.840 -0.116 0.000 0.839 38 L CB 0.949 42.919 42.059 -0.149 0.000 1.221 38 L HN 0.587 nan 8.230 nan 0.000 0.431 39 E N 2.297 122.462 120.200 -0.060 0.000 2.156 39 E HA 0.437 4.787 4.350 0.000 0.000 0.279 39 E C 0.511 177.030 176.600 -0.135 0.000 0.965 39 E CA -0.253 56.101 56.400 -0.077 0.000 0.789 39 E CB 2.022 31.707 29.700 -0.025 0.000 1.098 39 E HN 0.535 nan 8.360 nan 0.000 0.397 40 A N 5.687 128.343 122.820 -0.274 0.000 1.969 40 A HA -0.022 4.298 4.320 0.000 0.000 0.218 40 A C 1.123 178.487 177.584 -0.367 0.000 1.169 40 A CA 0.898 52.664 52.037 -0.451 0.000 0.635 40 A CB -0.142 18.223 19.000 -1.058 0.000 0.810 40 A HN 0.593 nan 8.150 nan 0.000 0.445 41 R N -0.046 120.286 120.500 -0.279 0.000 2.580 41 R HA 0.225 4.566 4.340 0.000 0.000 0.267 41 R C -0.070 176.225 176.300 -0.009 0.000 1.125 41 R CA 0.191 56.250 56.100 -0.067 0.000 1.188 41 R CB 0.147 30.457 30.300 0.016 0.000 1.155 41 R HN 0.446 nan 8.270 nan 0.000 0.586 42 D N 0.256 120.675 120.400 0.032 0.000 2.370 42 D HA 0.004 4.645 4.640 0.000 0.000 0.230 42 D C -0.121 176.202 176.300 0.038 0.000 1.143 42 D CA -0.114 53.905 54.000 0.033 0.000 0.834 42 D CB 0.004 40.826 40.800 0.037 0.000 0.944 42 D HN 0.439 nan 8.370 nan 0.000 0.504 43 R N -1.344 119.182 120.500 0.043 0.000 2.734 43 R HA 0.586 4.926 4.340 0.000 0.000 0.271 43 R C -0.837 175.502 176.300 0.064 0.000 1.021 43 R CA -1.103 55.030 56.100 0.054 0.000 0.893 43 R CB 1.126 31.463 30.300 0.062 0.000 1.244 43 R HN -0.097 nan 8.270 nan 0.000 0.464 44 V N -1.556 118.403 119.914 0.074 0.000 3.234 44 V HA 0.881 5.001 4.120 0.000 0.000 0.317 44 V C 0.885 177.039 176.094 0.100 0.000 1.081 44 V CA 0.421 62.776 62.300 0.091 0.000 1.037 44 V CB 0.861 32.748 31.823 0.107 0.000 1.148 44 V HN 1.211 nan 8.190 nan 0.000 0.453 45 G N -0.711 108.154 108.800 0.108 0.000 2.307 45 G HA2 0.158 4.119 3.960 0.000 0.000 0.210 45 G HA3 0.158 4.119 3.960 0.000 0.000 0.210 45 G C 1.594 176.554 174.900 0.100 0.000 1.005 45 G CA 0.647 45.810 45.100 0.105 0.000 0.634 45 G HN 2.653 nan 8.290 nan 0.000 0.496 46 G N 0.612 109.488 108.800 0.126 0.000 2.634 46 G HA2 -0.374 3.586 3.960 0.000 0.000 0.309 46 G HA3 -0.374 3.586 3.960 0.000 0.000 0.309 46 G C 0.765 175.751 174.900 0.144 0.000 1.265 46 G CA 1.240 46.424 45.100 0.139 0.000 0.998 46 G HN 1.195 nan 8.290 nan 0.000 0.551 47 R N 0.063 120.532 120.500 -0.051 0.000 2.346 47 R HA 0.237 4.577 4.340 0.000 0.000 0.208 47 R C 0.301 176.415 176.300 -0.309 0.000 1.052 47 R CA 0.169 56.004 56.100 -0.440 0.000 1.116 47 R CB -0.402 29.580 30.300 -0.530 0.000 1.003 47 R HN 0.301 nan 8.270 nan 0.000 0.482 48 L N 1.323 122.497 121.223 -0.082 0.000 2.324 48 L HA 0.335 4.675 4.340 0.000 0.000 0.274 48 L C -0.603 176.321 176.870 0.090 0.000 1.012 48 L CA -0.364 54.423 54.840 -0.090 0.000 0.859 48 L CB 1.426 43.398 42.059 -0.144 0.000 1.224 48 L HN 0.085 nan 8.230 nan 0.000 0.429 49 Q N 2.398 122.302 119.800 0.174 0.000 2.271 49 Q HA 0.418 4.758 4.340 0.000 0.000 0.268 49 Q C -1.473 174.623 176.000 0.160 0.000 1.021 49 Q CA -0.508 55.415 55.803 0.200 0.000 0.802 49 Q CB 2.614 31.526 28.738 0.289 0.000 1.282 49 Q HN 0.471 nan 8.270 nan 0.000 0.431 50 T N 3.448 118.071 114.554 0.114 0.000 2.756 50 T HA 0.465 4.815 4.350 0.000 0.000 0.290 50 T C 0.035 174.789 174.700 0.089 0.000 0.985 50 T CA -0.498 61.659 62.100 0.095 0.000 0.955 50 T CB 0.866 69.771 68.868 0.061 0.000 0.930 50 T HN 0.485 nan 8.240 nan 0.000 0.451 51 V N 1.478 121.460 119.914 0.113 0.000 2.966 51 V HA 0.839 4.959 4.120 0.000 0.000 0.317 51 V C -0.045 176.120 176.094 0.119 0.000 1.070 51 V CA -0.721 61.638 62.300 0.099 0.000 1.008 51 V CB 1.645 33.520 31.823 0.087 0.000 1.070 51 V HN 0.754 nan 8.190 nan 0.000 0.457 52 T N 2.057 116.667 114.554 0.093 0.000 2.807 52 T HA 0.781 5.132 4.350 0.000 0.000 0.279 52 T C 0.342 175.118 174.700 0.126 0.000 0.993 52 T CA 0.312 62.464 62.100 0.087 0.000 0.970 52 T CB 1.320 70.211 68.868 0.038 0.000 0.950 52 T HN 1.288 nan 8.240 nan 0.000 0.441 53 G N 0.653 109.566 108.800 0.189 0.000 3.234 53 G HA2 0.449 4.409 3.960 0.000 0.000 0.159 53 G HA3 0.449 4.409 3.960 0.000 0.000 0.159 53 G C -0.974 174.050 174.900 0.207 0.000 1.175 53 G CA -0.662 44.571 45.100 0.221 0.000 0.900 53 G HN 0.596 nan 8.290 nan 0.000 0.621 54 Y N 1.527 121.887 120.300 0.099 0.000 2.805 54 Y HA 0.112 4.662 4.550 0.000 0.000 0.331 54 Y C 1.478 177.412 175.900 0.056 0.000 1.241 54 Y CA 1.421 59.558 58.100 0.062 0.000 1.546 54 Y CB 0.123 38.616 38.460 0.055 0.000 1.248 54 Y HN 0.721 nan 8.280 nan 0.000 0.559 55 Q N 3.424 122.961 119.800 -0.438 0.000 2.452 55 Q HA -0.285 4.055 4.340 0.000 0.000 0.248 55 Q C 1.042 176.949 176.000 -0.154 0.000 0.874 55 Q CA 0.969 56.544 55.803 -0.379 0.000 1.208 55 Q CB -1.862 26.601 28.738 -0.458 0.000 1.569 55 Q HN 1.373 nan 8.270 nan 0.000 0.579 56 G N 0.032 108.786 108.800 -0.077 0.000 2.159 56 G HA2 -0.351 3.609 3.960 0.000 0.000 0.256 56 G HA3 -0.351 3.609 3.960 0.000 0.000 0.256 56 G C 0.104 174.969 174.900 -0.059 0.000 0.977 56 G CA 0.315 45.386 45.100 -0.049 0.000 0.652 56 G HN 0.326 nan 8.290 nan 0.000 0.531 57 R N 0.106 120.573 120.500 -0.054 0.000 2.734 57 R HA 0.463 4.804 4.340 0.000 0.000 0.266 57 R C 0.245 176.359 176.300 -0.309 0.000 1.044 57 R CA 0.428 56.421 56.100 -0.178 0.000 1.128 57 R CB 0.421 30.643 30.300 -0.129 0.000 1.010 57 R HN 0.280 nan 8.270 nan 0.000 0.461 58 K N 1.771 121.878 120.400 -0.488 0.000 2.316 58 K HA 0.406 4.726 4.320 0.000 0.000 0.251 58 K C -1.430 174.817 176.600 -0.588 0.000 0.934 58 K CA -0.575 55.489 56.287 -0.370 0.000 0.802 58 K CB 1.679 34.086 32.500 -0.155 0.000 1.171 58 K HN 0.382 nan 8.250 nan 0.000 0.426 59 Y N -0.137 120.194 120.300 0.052 0.000 2.524 59 Y HA 0.231 4.781 4.550 0.000 0.000 0.347 59 Y C -0.538 175.380 175.900 0.030 0.000 1.005 59 Y CA -1.221 56.913 58.100 0.058 0.000 1.025 59 Y CB 1.602 40.101 38.460 0.065 0.000 1.275 59 Y HN 0.424 nan 8.280 nan 0.000 0.460 60 D N 2.239 122.728 120.400 0.149 0.000 2.339 60 D HA 0.137 4.777 4.640 0.000 0.000 0.241 60 D C 0.449 176.830 176.300 0.134 0.000 1.183 60 D CA 0.175 54.223 54.000 0.081 0.000 0.859 60 D CB 1.817 42.587 40.800 -0.049 0.000 1.067 60 D HN 0.545 nan 8.370 nan 0.000 0.484 61 I N 2.457 123.144 120.570 0.194 0.000 3.251 61 I HA 0.083 4.253 4.170 0.000 0.000 0.277 61 I C 1.337 177.740 176.117 0.477 0.000 1.268 61 I CA 0.486 61.936 61.300 0.251 0.000 1.449 61 I CB 0.197 38.292 38.000 0.158 0.000 1.083 61 I HN 0.387 nan 8.210 nan 0.000 0.464 62 G N -0.522 108.500 108.800 0.371 0.000 3.227 62 G HA2 0.565 4.526 3.960 0.000 0.000 0.171 62 G HA3 0.565 4.526 3.960 0.000 0.000 0.171 62 G C -0.214 174.665 174.900 -0.034 0.000 1.463 62 G CA 0.060 45.255 45.100 0.158 0.000 1.016 62 G HN 0.355 nan 8.290 nan 0.000 0.594 63 A N -0.534 122.154 122.820 -0.220 0.000 2.462 63 A HA 0.479 4.799 4.320 0.000 0.000 0.243 63 A C 1.183 178.644 177.584 -0.204 0.000 1.076 63 A CA 0.828 52.706 52.037 -0.266 0.000 0.773 63 A CB 0.477 19.139 19.000 -0.564 0.000 1.010 63 A HN 1.347 nan 8.150 nan 0.000 0.493 64 S N 0.756 116.369 115.700 -0.146 0.000 2.628 64 S HA 0.219 4.689 4.470 0.000 0.000 0.246 64 S C 0.088 174.295 174.600 -0.655 0.000 1.062 64 S CA -0.425 57.493 58.200 -0.470 0.000 1.028 64 S CB 0.186 62.866 63.200 -0.866 0.000 0.985 64 S HN 0.714 nan 8.310 nan 0.000 0.551 65 W N 1.918 123.134 121.300 -0.140 0.000 2.719 65 W HA 0.512 5.172 4.660 0.000 0.000 0.352 65 W C -0.465 175.766 176.519 -0.480 0.000 1.085 65 W CA -0.691 56.445 57.345 -0.347 0.000 1.187 65 W CB 0.733 29.970 29.460 -0.372 0.000 1.417 65 W HN 0.210 nan 8.180 nan 0.000 0.557 66 H N 1.864 120.852 119.070 -0.137 0.000 2.556 66 H HA 0.240 4.796 4.556 0.000 0.000 0.310 66 H C 0.258 175.415 175.328 -0.285 0.000 1.057 66 H CA -0.037 55.896 56.048 -0.192 0.000 1.264 66 H CB 0.747 30.328 29.762 -0.303 0.000 1.404 66 H HN 0.205 nan 8.280 nan 0.000 0.462 67 H N 1.635 120.802 119.070 0.162 0.000 2.499 67 H HA 0.034 4.590 4.556 0.000 0.000 0.352 67 H C 0.242 175.574 175.328 0.007 0.000 1.237 67 H CA -0.379 55.715 56.048 0.076 0.000 1.343 67 H CB 0.903 30.760 29.762 0.159 0.000 1.578 67 H HN 0.634 nan 8.280 nan 0.000 0.577 68 D N 0.721 121.215 120.400 0.156 0.000 2.740 68 D HA -0.152 4.488 4.640 0.000 0.000 0.231 68 D C 1.141 177.362 176.300 -0.131 0.000 1.194 68 D CA 1.086 55.112 54.000 0.043 0.000 0.673 68 D CB -1.486 39.379 40.800 0.108 0.000 0.995 68 D HN 0.770 nan 8.370 nan 0.000 0.411 69 T N -3.130 111.286 114.554 -0.229 0.000 3.025 69 T HA -0.068 4.282 4.350 0.000 0.000 0.270 69 T C 2.076 176.711 174.700 -0.108 0.000 1.126 69 T CA 0.308 62.151 62.100 -0.429 0.000 1.105 69 T CB 0.061 68.403 68.868 -0.877 0.000 0.884 69 T HN 0.416 nan 8.240 nan 0.000 0.522 70 L N 1.432 122.629 121.223 -0.044 0.000 2.109 70 L HA 0.009 4.350 4.340 0.000 0.000 0.207 70 L C 2.975 179.853 176.870 0.014 0.000 1.086 70 L CA 1.694 56.541 54.840 0.013 0.000 0.760 70 L CB -0.462 41.607 42.059 0.017 0.000 0.910 70 L HN 0.566 nan 8.230 nan 0.000 0.437 71 T N -6.154 108.385 114.554 -0.026 0.000 2.959 71 T HA 0.005 4.355 4.350 0.000 0.000 0.254 71 T C 0.771 175.395 174.700 -0.127 0.000 1.003 71 T CA -0.391 61.687 62.100 -0.036 0.000 0.950 71 T CB -0.498 68.368 68.868 -0.005 0.000 1.090 71 T HN 0.154 nan 8.240 nan 0.000 0.503 72 N N 4.060 122.589 118.700 -0.284 0.000 2.386 72 N HA 0.021 4.761 4.740 0.000 0.000 0.273 72 N C -1.184 174.161 175.510 -0.275 0.000 1.331 72 N CA -1.038 51.656 53.050 -0.594 0.000 0.891 72 N CB 1.022 39.120 38.487 -0.647 0.000 1.139 72 N HN 0.158 nan 8.380 nan 0.000 0.487 73 P HA -0.166 nan 4.420 nan 0.000 0.217 73 P C 1.478 178.565 177.300 -0.354 0.000 1.151 73 P CA 0.559 63.604 63.100 -0.092 0.000 0.828 73 P CB 0.154 31.974 31.700 0.199 0.000 0.788 74 L N -0.385 120.443 121.223 -0.658 0.000 2.017 74 L HA -0.111 4.230 4.340 0.000 0.000 0.208 74 L C 2.484 179.021 176.870 -0.556 0.000 1.073 74 L CA 1.744 55.995 54.840 -0.982 0.000 0.745 74 L CB -1.891 39.612 42.059 -0.926 0.000 0.894 74 L HN -0.175 nan 8.230 nan 0.000 0.432 75 F N -0.277 119.328 119.950 -0.575 0.000 2.126 75 F HA -0.211 4.316 4.527 0.000 0.000 0.299 75 F C 2.020 177.514 175.800 -0.509 0.000 1.096 75 F CA 1.815 59.364 58.000 -0.752 0.000 1.255 75 F CB -0.430 38.150 39.000 -0.700 0.000 0.997 75 F HN 0.090 nan 8.300 nan 0.000 0.479 76 L N 0.164 121.058 121.223 -0.548 0.000 2.083 76 L HA -0.198 4.142 4.340 0.000 0.000 0.209 76 L C 2.554 179.193 176.870 -0.386 0.000 1.083 76 L CA 1.874 56.433 54.840 -0.469 0.000 0.752 76 L CB -0.870 41.086 42.059 -0.171 0.000 0.899 76 L HN 0.269 nan 8.230 nan 0.000 0.433 77 E N 0.143 120.155 120.200 -0.314 0.000 2.110 77 E HA -0.224 4.126 4.350 0.000 0.000 0.193 77 E C 1.996 178.461 176.600 -0.224 0.000 0.988 77 E CA 0.994 57.277 56.400 -0.196 0.000 0.804 77 E CB 0.179 29.799 29.700 -0.134 0.000 0.745 77 E HN 0.397 nan 8.360 nan 0.000 0.458 78 E N 0.108 120.102 120.200 -0.344 0.000 2.106 78 E HA -0.143 4.207 4.350 0.000 0.000 0.192 78 E C 1.947 178.454 176.600 -0.156 0.000 0.984 78 E CA 0.907 57.164 56.400 -0.239 0.000 0.806 78 E CB -0.102 29.423 29.700 -0.292 0.000 0.750 78 E HN 0.366 nan 8.360 nan 0.000 0.458 79 A N 1.212 123.788 122.820 -0.407 0.000 1.930 79 A HA -0.174 4.146 4.320 0.000 0.000 0.217 79 A C 2.147 179.676 177.584 -0.091 0.000 1.175 79 A CA 1.018 52.939 52.037 -0.193 0.000 0.627 79 A CB -0.235 18.454 19.000 -0.519 0.000 0.815 79 A HN 0.069 nan 8.150 nan 0.000 0.443 80 Q N -0.130 119.590 119.800 -0.133 0.000 2.050 80 Q HA -0.094 4.246 4.340 0.000 0.000 0.202 80 Q C 2.170 178.139 176.000 -0.052 0.000 0.980 80 Q CA 1.365 57.124 55.803 -0.074 0.000 0.840 80 Q CB -0.482 28.215 28.738 -0.068 0.000 0.898 80 Q HN 0.734 nan 8.270 nan 0.000 0.424 81 L N 0.065 121.254 121.223 -0.057 0.000 2.081 81 L HA -0.212 4.128 4.340 0.000 0.000 0.212 81 L C 2.374 179.216 176.870 -0.047 0.000 1.080 81 L CA 1.226 56.040 54.840 -0.043 0.000 0.754 81 L CB -0.409 41.625 42.059 -0.042 0.000 0.893 81 L HN 0.077 nan 8.230 nan 0.000 0.433 82 S N -0.456 115.211 115.700 -0.054 0.000 2.436 82 S HA -0.067 4.403 4.470 0.000 0.000 0.228 82 S C 1.743 176.310 174.600 -0.057 0.000 1.014 82 S CA 0.547 58.698 58.200 -0.082 0.000 0.950 82 S CB -0.080 63.025 63.200 -0.158 0.000 0.784 82 S HN 0.221 nan 8.310 nan 0.000 0.504 83 L N 2.156 123.360 121.223 -0.032 0.000 2.217 83 L HA 0.100 4.440 4.340 0.000 0.000 0.211 83 L C 1.480 178.336 176.870 -0.023 0.000 1.107 83 L CA 1.442 56.270 54.840 -0.020 0.000 0.783 83 L CB -0.539 41.513 42.059 -0.011 0.000 0.919 83 L HN 0.120 nan 8.230 nan 0.000 0.442 84 N N 0.001 118.685 118.700 -0.028 0.000 2.220 84 N HA -0.088 4.652 4.740 0.000 0.000 0.182 84 N C 1.097 176.591 175.510 -0.027 0.000 1.023 84 N CA 1.456 54.491 53.050 -0.024 0.000 0.856 84 N CB -0.167 38.307 38.487 -0.023 0.000 0.997 84 N HN 0.591 nan 8.380 nan 0.000 0.429 85 D N -1.719 118.661 120.400 -0.035 0.000 2.369 85 D HA 0.215 4.855 4.640 0.000 0.000 0.211 85 D C 1.146 177.420 176.300 -0.043 0.000 1.077 85 D CA 0.462 54.441 54.000 -0.036 0.000 0.842 85 D CB -0.107 40.671 40.800 -0.036 0.000 0.947 85 D HN 0.185 nan 8.370 nan 0.000 0.509 86 G N 0.524 109.293 108.800 -0.051 0.000 2.189 86 G HA2 -0.380 3.580 3.960 0.000 0.000 0.267 86 G HA3 -0.380 3.580 3.960 0.000 0.000 0.267 86 G C 0.232 175.086 174.900 -0.077 0.000 0.975 86 G CA 0.108 45.173 45.100 -0.059 0.000 0.644 86 G HN 0.441 nan 8.290 nan 0.000 0.537 87 R N 0.761 121.210 120.500 -0.085 0.000 2.438 87 R HA 0.414 4.754 4.340 0.000 0.000 0.287 87 R C 0.160 176.368 176.300 -0.154 0.000 1.077 87 R CA 0.154 56.196 56.100 -0.097 0.000 1.034 87 R CB 0.480 30.732 30.300 -0.081 0.000 0.993 87 R HN 0.153 nan 8.270 nan 0.000 0.459 88 T N 3.474 117.935 114.554 -0.155 0.000 2.814 88 T HA 0.135 4.485 4.350 0.000 0.000 0.297 88 T C 1.108 175.668 174.700 -0.233 0.000 0.956 88 T CA -0.011 61.951 62.100 -0.229 0.000 1.123 88 T CB 0.746 69.525 68.868 -0.148 0.000 0.902 88 T HN 0.489 nan 8.240 nan 0.000 0.528 89 R N 1.358 121.622 120.500 -0.392 0.000 2.469 89 R HA 0.286 4.627 4.340 0.000 0.000 0.250 89 R C -0.450 175.823 176.300 -0.046 0.000 0.909 89 R CA 0.099 56.084 56.100 -0.193 0.000 1.050 89 R CB 0.653 30.901 30.300 -0.087 0.000 1.256 89 R HN 0.689 nan 8.270 nan 0.000 0.550 90 F N -3.253 116.711 119.950 0.023 0.000 2.807 90 F HA 0.600 5.127 4.527 0.000 0.000 0.316 90 F C -1.503 174.348 175.800 0.085 0.000 1.162 90 F CA -1.564 56.464 58.000 0.046 0.000 0.910 90 F CB 1.051 40.101 39.000 0.083 0.000 1.314 90 F HN -0.329 nan 8.300 nan 0.000 0.454 91 V N 1.378 121.525 119.914 0.388 0.000 2.888 91 V HA 0.605 4.725 4.120 0.000 0.000 0.309 91 V C -1.684 174.560 176.094 0.251 0.000 1.114 91 V CA -0.915 61.578 62.300 0.321 0.000 0.940 91 V CB 2.055 34.005 31.823 0.211 0.000 1.021 91 V HN 0.705 nan 8.190 nan 0.000 0.426 92 F N 5.785 125.910 119.950 0.293 0.000 2.434 92 F HA 0.355 4.882 4.527 0.000 0.000 0.358 92 F C 1.196 177.100 175.800 0.173 0.000 1.136 92 F CA -0.127 57.999 58.000 0.210 0.000 1.157 92 F CB 0.875 39.963 39.000 0.147 0.000 1.167 92 F HN 0.728 nan 8.300 nan 0.000 0.539 93 D N 0.684 121.246 120.400 0.270 0.000 2.462 93 D HA 0.013 4.653 4.640 0.000 0.000 0.221 93 D C -0.177 176.228 176.300 0.176 0.000 1.173 93 D CA -0.197 53.928 54.000 0.209 0.000 0.831 93 D CB -0.288 40.619 40.800 0.178 0.000 1.001 93 D HN 0.206 nan 8.370 nan 0.000 0.499 94 D N 0.955 121.462 120.400 0.179 0.000 2.423 94 D HA 0.255 4.895 4.640 0.000 0.000 0.238 94 D C -0.132 176.228 176.300 0.100 0.000 1.142 94 D CA 0.672 54.750 54.000 0.130 0.000 0.884 94 D CB 1.260 42.133 40.800 0.122 0.000 1.199 94 D HN 0.162 nan 8.370 nan 0.000 0.438 95 D N -0.157 120.287 120.400 0.075 0.000 2.677 95 D HA 0.153 4.793 4.640 0.000 0.000 0.298 95 D C -1.063 175.282 176.300 0.076 0.000 1.250 95 D CA -0.579 53.438 54.000 0.029 0.000 0.888 95 D CB 1.247 42.015 40.800 -0.053 0.000 1.397 95 D HN 0.094 nan 8.370 nan 0.000 0.461 96 N N 0.879 119.604 118.700 0.042 0.000 2.470 96 N HA 0.168 4.909 4.740 0.000 0.000 0.268 96 N C -0.317 175.236 175.510 0.072 0.000 1.136 96 N CA 0.040 53.147 53.050 0.094 0.000 0.961 96 N CB 0.221 38.715 38.487 0.011 0.000 1.067 96 N HN 0.194 nan 8.380 nan 0.000 0.468 97 F N 1.668 121.565 119.950 -0.089 0.000 2.484 97 F HA 0.241 4.768 4.527 0.000 0.000 0.360 97 F C 1.187 176.814 175.800 -0.288 0.000 1.101 97 F CA -0.170 57.682 58.000 -0.247 0.000 1.251 97 F CB 0.452 39.189 39.000 -0.439 0.000 1.132 97 F HN 0.223 nan 8.300 nan 0.000 0.570 98 I N 4.411 124.833 120.570 -0.247 0.000 2.336 98 I HA 0.198 4.368 4.170 0.000 0.000 0.292 98 I C -1.043 174.912 176.117 -0.269 0.000 0.991 98 I CA -0.679 60.529 61.300 -0.153 0.000 1.227 98 I CB 0.915 38.841 38.000 -0.123 0.000 1.366 98 I HN 0.422 nan 8.210 nan 0.000 0.466 99 Y N 6.701 127.064 120.300 0.105 0.000 2.335 99 Y HA 0.541 5.091 4.550 0.000 0.000 0.338 99 Y C 0.013 175.954 175.900 0.069 0.000 0.977 99 Y CA -0.574 57.594 58.100 0.112 0.000 1.114 99 Y CB 1.429 39.952 38.460 0.106 0.000 1.182 99 Y HN 0.322 nan 8.280 nan 0.000 0.463 100 I N 3.144 123.844 120.570 0.215 0.000 2.406 100 I HA 0.249 4.419 4.170 0.000 0.000 0.290 100 I C -0.923 175.317 176.117 0.206 0.000 0.999 100 I CA -0.580 60.817 61.300 0.162 0.000 1.124 100 I CB 1.800 39.878 38.000 0.129 0.000 1.289 100 I HN 0.593 nan 8.210 nan 0.000 0.441 101 D N 4.080 124.529 120.400 0.082 0.000 2.192 101 D HA 0.125 4.765 4.640 0.000 0.000 0.246 101 D C 0.997 177.207 176.300 -0.151 0.000 1.042 101 D CA -0.417 53.587 54.000 0.006 0.000 0.847 101 D CB 1.699 42.453 40.800 -0.077 0.000 1.186 101 D HN 0.621 nan 8.370 nan 0.000 0.461 102 E N 2.272 122.147 120.200 -0.542 0.000 2.049 102 E HA -0.298 4.052 4.350 0.000 0.000 0.198 102 E C 0.902 177.272 176.600 -0.383 0.000 1.007 102 E CA 1.691 57.572 56.400 -0.865 0.000 0.809 102 E CB 0.232 28.875 29.700 -1.760 0.000 0.749 102 E HN 0.657 nan 8.360 nan 0.000 0.450 103 E N -0.283 119.750 120.200 -0.279 0.000 2.033 103 E HA -0.113 4.237 4.350 0.000 0.000 0.189 103 E C 2.324 178.873 176.600 -0.086 0.000 0.979 103 E CA 0.784 57.097 56.400 -0.144 0.000 0.802 103 E CB -0.098 29.550 29.700 -0.086 0.000 0.763 103 E HN 0.077 nan 8.360 nan 0.000 0.449 104 R N 0.067 120.520 120.500 -0.078 0.000 2.148 104 R HA -0.004 4.337 4.340 0.000 0.000 0.223 104 R C 0.884 177.135 176.300 -0.082 0.000 1.088 104 R CA 1.082 57.131 56.100 -0.085 0.000 0.985 104 R CB -0.002 30.196 30.300 -0.170 0.000 0.880 104 R HN 0.272 nan 8.270 nan 0.000 0.451 105 G N 0.237 108.993 108.800 -0.074 0.000 2.496 105 G HA2 -0.306 3.654 3.960 0.000 0.000 0.243 105 G HA3 -0.306 3.654 3.960 0.000 0.000 0.243 105 G C -1.040 173.844 174.900 -0.026 0.000 1.176 105 G CA -0.116 44.964 45.100 -0.034 0.000 0.940 105 G HN 0.336 nan 8.290 nan 0.000 0.573 106 R N 0.530 121.025 120.500 -0.008 0.000 2.401 106 R HA 0.386 4.726 4.340 0.000 0.000 0.299 106 R C 1.189 177.485 176.300 -0.007 0.000 1.064 106 R CA 0.512 56.622 56.100 0.017 0.000 1.000 106 R CB 1.002 31.320 30.300 0.030 0.000 0.973 106 R HN 1.144 nan 8.270 nan 0.000 0.438 107 V N -1.532 118.390 119.914 0.015 0.000 3.253 107 V HA 0.102 4.222 4.120 0.000 0.000 0.320 107 V C 0.087 176.220 176.094 0.065 0.000 1.442 107 V CA -0.449 61.828 62.300 -0.039 0.000 1.097 107 V CB -0.026 31.681 31.823 -0.192 0.000 1.008 107 V HN 0.672 nan 8.190 nan 0.000 0.463 108 D N -0.091 120.414 120.400 0.175 0.000 2.253 108 D HA 0.192 4.832 4.640 0.000 0.000 0.249 108 D C 0.434 176.883 176.300 0.248 0.000 1.049 108 D CA -0.424 53.743 54.000 0.278 0.000 0.929 108 D CB 0.840 41.874 40.800 0.389 0.000 1.176 108 D HN 0.351 nan 8.370 nan 0.000 0.437 109 H N -0.484 118.654 119.070 0.113 0.000 2.626 109 H HA -0.213 4.343 4.556 0.000 0.000 0.317 109 H C -0.989 174.370 175.328 0.052 0.000 1.140 109 H CA 0.895 56.988 56.048 0.076 0.000 1.134 109 H CB -1.107 28.700 29.762 0.075 0.000 1.486 109 H HN 0.446 nan 8.280 nan 0.000 0.417 110 D N 0.891 121.293 120.400 0.004 0.000 2.280 110 D HA 0.067 4.707 4.640 0.000 0.000 0.243 110 D C 1.276 177.533 176.300 -0.072 0.000 1.129 110 D CA 0.093 54.077 54.000 -0.026 0.000 0.848 110 D CB 0.710 41.507 40.800 -0.004 0.000 1.107 110 D HN 0.732 nan 8.370 nan 0.000 0.471 111 K N 2.504 122.857 120.400 -0.078 0.000 2.442 111 K HA -0.137 4.183 4.320 0.000 0.000 0.198 111 K C 0.710 177.290 176.600 -0.034 0.000 1.044 111 K CA 1.273 57.517 56.287 -0.072 0.000 0.948 111 K CB 0.288 32.756 32.500 -0.053 0.000 0.762 111 K HN 0.397 nan 8.250 nan 0.000 0.472 112 E N 0.304 120.495 120.200 -0.016 0.000 2.391 112 E HA 0.143 4.493 4.350 0.000 0.000 0.206 112 E C 1.832 178.443 176.600 0.019 0.000 0.851 112 E CA -0.093 56.309 56.400 0.004 0.000 1.059 112 E CB 0.254 29.961 29.700 0.012 0.000 1.065 112 E HN 0.119 nan 8.360 nan 0.000 0.512 113 L N 0.740 121.975 121.223 0.019 0.000 2.162 113 L HA 0.096 4.436 4.340 0.000 0.000 0.205 113 L C 0.687 177.577 176.870 0.034 0.000 1.086 113 L CA 0.342 55.207 54.840 0.041 0.000 0.778 113 L CB -0.318 41.761 42.059 0.033 0.000 0.928 113 L HN 0.158 nan 8.230 nan 0.000 0.446 114 L N 0.835 122.064 121.223 0.010 0.000 3.954 114 L HA -0.271 4.069 4.340 0.000 0.000 0.462 114 L C 1.317 178.202 176.870 0.024 0.000 1.195 114 L CA -0.190 54.655 54.840 0.007 0.000 0.739 114 L CB -1.468 40.595 42.059 0.008 0.000 1.599 114 L HN 0.347 nan 8.230 nan 0.000 0.838 115 L N -0.725 120.507 121.223 0.015 0.000 2.141 115 L HA -0.169 4.171 4.340 0.000 0.000 0.209 115 L C 2.246 179.107 176.870 -0.015 0.000 1.094 115 L CA 1.397 56.237 54.840 -0.000 0.000 0.763 115 L CB -0.141 41.888 42.059 -0.050 0.000 0.908 115 L HN 0.418 nan 8.230 nan 0.000 0.437 116 E N 0.514 120.710 120.200 -0.008 0.000 2.153 116 E HA -0.156 4.194 4.350 0.000 0.000 0.194 116 E C 2.153 178.771 176.600 0.031 0.000 0.988 116 E CA 1.024 57.430 56.400 0.010 0.000 0.811 116 E CB -0.146 29.588 29.700 0.057 0.000 0.746 116 E HN 0.451 nan 8.360 nan 0.000 0.466 117 I N 0.195 120.786 120.570 0.036 0.000 2.286 117 I HA -0.197 3.973 4.170 0.000 0.000 0.245 117 I C 2.073 178.218 176.117 0.047 0.000 1.104 117 I CA 0.847 62.172 61.300 0.041 0.000 1.397 117 I CB -0.268 37.755 38.000 0.038 0.000 1.072 117 I HN 0.071 nan 8.210 nan 0.000 0.417 118 V N -1.382 118.566 119.914 0.056 0.000 2.719 118 V HA -0.194 3.926 4.120 0.000 0.000 0.252 118 V C 2.040 178.141 176.094 0.012 0.000 1.065 118 V CA 1.868 64.216 62.300 0.080 0.000 1.086 118 V CB -0.866 31.040 31.823 0.138 0.000 0.700 118 V HN 0.344 nan 8.190 nan 0.000 0.467 119 D N 1.661 122.068 120.400 0.013 0.000 2.097 119 D HA -0.249 4.391 4.640 0.000 0.000 0.195 119 D C 2.004 178.318 176.300 0.022 0.000 0.989 119 D CA 2.007 56.016 54.000 0.015 0.000 0.827 119 D CB -0.334 40.498 40.800 0.052 0.000 0.966 119 D HN 0.497 nan 8.370 nan 0.000 0.456 120 N N 0.251 118.972 118.700 0.035 0.000 2.069 120 N HA -0.218 4.523 4.740 0.000 0.000 0.191 120 N C 1.665 177.173 175.510 -0.004 0.000 1.031 120 N CA 1.697 54.769 53.050 0.036 0.000 0.852 120 N CB -0.225 38.287 38.487 0.042 0.000 1.018 120 N HN 0.355 nan 8.380 nan 0.000 0.423 121 E N -0.678 119.521 120.200 -0.003 0.000 2.077 121 E HA -0.217 4.133 4.350 0.000 0.000 0.193 121 E C 1.945 178.492 176.600 -0.087 0.000 0.989 121 E CA 0.949 57.356 56.400 0.012 0.000 0.800 121 E CB -0.124 29.635 29.700 0.098 0.000 0.746 121 E HN 0.353 nan 8.360 nan 0.000 0.452 122 M N 0.593 119.998 119.600 -0.325 0.000 2.149 122 M HA -0.175 4.305 4.480 0.000 0.000 0.261 122 M C 2.522 178.660 176.300 -0.269 0.000 1.064 122 M CA 1.432 56.361 55.300 -0.618 0.000 1.102 122 M CB -0.659 31.578 32.600 -0.604 0.000 1.369 122 M HN 0.164 nan 8.290 nan 0.000 0.408 123 S N -0.068 115.485 115.700 -0.245 0.000 2.368 123 S HA -0.151 4.319 4.470 0.000 0.000 0.225 123 S C 1.938 176.329 174.600 -0.349 0.000 1.030 123 S CA 1.200 59.086 58.200 -0.524 0.000 0.999 123 S CB -0.042 63.050 63.200 -0.181 0.000 0.844 123 S HN 0.316 nan 8.310 nan 0.000 0.459 124 K N 0.273 120.599 120.400 -0.123 0.000 2.097 124 K HA -0.033 4.287 4.320 0.000 0.000 0.205 124 K C 1.805 178.401 176.600 -0.006 0.000 1.050 124 K CA 1.017 57.278 56.287 -0.043 0.000 0.938 124 K CB -0.767 31.741 32.500 0.013 0.000 0.718 124 K HN 0.544 nan 8.250 nan 0.000 0.442 125 F N 1.574 121.464 119.950 -0.099 0.000 2.161 125 F HA -0.218 4.309 4.527 0.001 0.000 0.300 125 F C 2.011 177.769 175.800 -0.069 0.000 1.089 125 F CA 1.495 59.475 58.000 -0.033 0.000 1.282 125 F CB -0.326 38.715 39.000 0.067 0.000 1.010 125 F HN 0.010 nan 8.300 nan 0.000 0.485 126 A N -0.042 122.685 122.820 -0.154 0.000 1.898 126 A HA -0.227 4.094 4.320 0.000 0.000 0.216 126 A C 2.255 179.809 177.584 -0.049 0.000 1.181 126 A CA 1.687 53.642 52.037 -0.136 0.000 0.620 126 A CB -1.032 17.853 19.000 -0.191 0.000 0.819 126 A HN 0.593 nan 8.150 nan 0.000 0.442 127 E N -0.087 120.067 120.200 -0.077 0.000 2.110 127 E HA -0.160 4.190 4.350 0.000 0.000 0.193 127 E C 1.901 178.512 176.600 0.018 0.000 0.988 127 E CA 1.099 57.516 56.400 0.028 0.000 0.804 127 E CB -0.216 29.493 29.700 0.015 0.000 0.745 127 E HN 0.624 nan 8.360 nan 0.000 0.458 128 L N 0.457 121.617 121.223 -0.104 0.000 2.056 128 L HA -0.134 4.206 4.340 0.000 0.000 0.207 128 L C 2.628 179.362 176.870 -0.227 0.000 1.078 128 L CA 1.392 56.148 54.840 -0.140 0.000 0.749 128 L CB -0.295 41.668 42.059 -0.160 0.000 0.901 128 L HN 0.165 nan 8.230 nan 0.000 0.433 129 E N 0.097 120.005 120.200 -0.486 0.000 2.265 129 E HA -0.166 4.184 4.350 0.000 0.000 0.196 129 E C 0.897 177.114 176.600 -0.637 0.000 0.996 129 E CA 1.153 57.144 56.400 -0.683 0.000 0.832 129 E CB 0.063 29.108 29.700 -1.092 0.000 0.756 129 E HN 0.446 nan 8.360 nan 0.000 0.491 130 F N -0.375 119.530 119.950 -0.075 0.000 2.850 130 F HA 0.243 4.770 4.527 0.000 0.000 0.306 130 F C 0.655 176.468 175.800 0.021 0.000 1.162 130 F CA -0.571 57.417 58.000 -0.019 0.000 1.327 130 F CB 0.490 39.483 39.000 -0.011 0.000 0.953 130 F HN 0.040 nan 8.300 nan 0.000 0.507 138 D N -0.145 120.445 120.400 0.318 0.000 4.874 138 D HA -0.093 4.547 4.640 0.000 0.000 0.228 138 D C 0.135 176.550 176.300 0.192 0.000 1.423 138 D CA 0.825 54.984 54.000 0.265 0.000 1.130 138 D CB -1.346 39.508 40.800 0.090 0.000 0.564 138 D HN 1.401 nan 8.370 nan 0.000 0.272 139 C N 1.727 121.169 119.300 0.235 0.000 3.156 139 C HA 0.958 5.418 4.460 0.000 0.000 0.376 139 C C 1.012 176.098 174.990 0.160 0.000 2.688 139 C CA 0.081 59.200 59.018 0.168 0.000 1.735 139 C CB 0.797 28.628 27.740 0.153 0.000 2.823 139 C HN 0.902 nan 8.230 nan 0.000 0.483 140 S N -0.383 115.404 115.700 0.144 0.000 2.654 140 S HA 0.470 4.940 4.470 0.000 0.000 0.283 140 S C 0.238 174.967 174.600 0.216 0.000 1.180 140 S CA -0.254 58.038 58.200 0.154 0.000 1.021 140 S CB 0.624 63.903 63.200 0.131 0.000 1.018 140 S HN 0.881 nan 8.310 nan 0.000 0.532 141 F N 2.034 122.043 119.950 0.099 0.000 2.161 141 F HA -0.061 4.466 4.527 0.000 0.000 0.300 141 F C 1.530 177.427 175.800 0.161 0.000 1.089 141 F CA 1.088 59.176 58.000 0.148 0.000 1.282 141 F CB -0.743 38.334 39.000 0.128 0.000 1.010 141 F HN 0.767 nan 8.300 nan 0.000 0.485 142 F N 1.320 121.159 119.950 -0.185 0.000 2.102 142 F HA -0.206 4.321 4.527 0.000 0.000 0.298 142 F C 2.371 177.902 175.800 -0.449 0.000 1.105 142 F CA 2.152 59.741 58.000 -0.684 0.000 1.239 142 F CB -0.901 37.444 39.000 -1.092 0.000 0.991 142 F HN 0.072 nan 8.300 nan 0.000 0.474 143 Q N -0.129 119.420 119.800 -0.418 0.000 2.084 143 Q HA -0.190 4.150 4.340 0.000 0.000 0.202 143 Q C 2.194 178.047 176.000 -0.245 0.000 0.978 143 Q CA 1.655 57.228 55.803 -0.382 0.000 0.844 143 Q CB -0.509 28.184 28.738 -0.074 0.000 0.898 143 Q HN 0.479 nan 8.270 nan 0.000 0.426 144 L N 0.267 121.448 121.223 -0.070 0.000 2.042 144 L HA -0.167 4.173 4.340 0.000 0.000 0.210 144 L C 2.052 178.947 176.870 0.042 0.000 1.076 144 L CA 1.516 56.414 54.840 0.098 0.000 0.749 144 L CB -0.437 41.799 42.059 0.294 0.000 0.893 144 L HN 0.007 nan 8.230 nan 0.000 0.432 145 V N -0.713 119.083 119.914 -0.197 0.000 2.515 145 V HA -0.280 3.840 4.120 0.000 0.000 0.250 145 V C 2.565 178.580 176.094 -0.133 0.000 1.058 145 V CA 1.579 63.778 62.300 -0.168 0.000 1.064 145 V CB -0.667 30.993 31.823 -0.272 0.000 0.675 145 V HN 0.402 nan 8.190 nan 0.000 0.461 146 M N -0.038 119.357 119.600 -0.341 0.000 2.099 146 M HA -0.113 4.367 4.480 0.000 0.000 0.262 146 M C 2.142 178.353 176.300 -0.149 0.000 1.067 146 M CA 1.635 56.766 55.300 -0.282 0.000 1.124 146 M CB -1.132 31.186 32.600 -0.470 0.000 1.353 146 M HN 0.340 nan 8.290 nan 0.000 0.410 147 K N -0.720 119.628 120.400 -0.087 0.000 2.044 147 K HA -0.234 4.086 4.320 0.000 0.000 0.210 147 K C 2.063 178.583 176.600 -0.133 0.000 1.049 147 K CA 1.847 58.122 56.287 -0.021 0.000 0.927 147 K CB -0.797 31.790 32.500 0.145 0.000 0.713 147 K HN 0.245 nan 8.250 nan 0.000 0.443 148 Y N 2.007 122.107 120.300 -0.332 0.000 2.165 148 Y HA -0.217 4.333 4.550 0.000 0.000 0.286 148 Y C 1.810 177.463 175.900 -0.411 0.000 1.155 148 Y CA 1.378 59.025 58.100 -0.755 0.000 1.164 148 Y CB -0.220 37.866 38.460 -0.624 0.000 0.978 148 Y HN -0.042 nan 8.280 nan 0.000 0.513 149 L N -0.566 120.498 121.223 -0.265 0.000 2.056 149 L HA -0.210 4.130 4.340 0.000 0.000 0.207 149 L C 2.580 179.255 176.870 -0.325 0.000 1.078 149 L CA 1.311 55.991 54.840 -0.266 0.000 0.749 149 L CB -0.602 41.429 42.059 -0.045 0.000 0.901 149 L HN 0.345 nan 8.230 nan 0.000 0.433 150 L N -0.416 120.646 121.223 -0.268 0.000 2.027 150 L HA -0.251 4.090 4.340 0.000 0.000 0.206 150 L C 2.596 179.306 176.870 -0.266 0.000 1.074 150 L CA 1.399 56.096 54.840 -0.237 0.000 0.745 150 L CB -0.122 41.832 42.059 -0.174 0.000 0.898 150 L HN 0.343 nan 8.230 nan 0.000 0.433 151 Q N -0.733 118.889 119.800 -0.296 0.000 2.364 151 Q HA -0.119 4.221 4.340 0.000 0.000 0.207 151 Q C 1.107 176.920 176.000 -0.312 0.000 0.970 151 Q CA 0.841 56.485 55.803 -0.265 0.000 0.888 151 Q CB 0.337 28.945 28.738 -0.216 0.000 0.951 151 Q HN 0.311 nan 8.270 nan 0.000 0.469 152 R N -0.750 119.462 120.500 -0.479 0.000 2.549 152 R HA 0.106 4.446 4.340 0.000 0.000 0.344 152 R C 1.422 177.483 176.300 -0.398 0.000 0.979 152 R CA 0.132 56.000 56.100 -0.388 0.000 1.140 152 R CB 0.219 30.134 30.300 -0.642 0.000 1.377 152 R HN 0.324 nan 8.270 nan 0.000 0.541 153 R N 0.686 120.943 120.500 -0.405 0.000 2.117 153 R HA -0.183 4.157 4.340 0.000 0.000 0.243 153 R C 1.736 177.802 176.300 -0.391 0.000 1.143 153 R CA 1.639 57.540 56.100 -0.332 0.000 0.968 153 R CB -0.489 29.640 30.300 -0.285 0.000 0.863 153 R HN 0.147 nan 8.270 nan 0.000 0.444 154 Q N 0.611 120.032 119.800 -0.632 0.000 2.297 154 Q HA -0.129 4.211 4.340 0.000 0.000 0.208 154 Q C 0.556 176.114 176.000 -0.736 0.000 0.981 154 Q CA 1.467 56.800 55.803 -0.783 0.000 0.876 154 Q CB 0.031 28.085 28.738 -1.141 0.000 0.921 154 Q HN 0.606 nan 8.270 nan 0.000 0.446 155 F N -0.318 119.570 119.950 -0.104 0.000 2.654 155 F HA 0.323 4.850 4.527 0.000 0.000 0.303 155 F C -0.147 175.617 175.800 -0.061 0.000 1.099 155 F CA -0.532 57.423 58.000 -0.074 0.000 1.270 155 F CB 0.644 39.600 39.000 -0.073 0.000 1.024 155 F HN -0.126 nan 8.300 nan 0.000 0.548 156 L N 0.556 121.774 121.223 -0.008 0.000 2.346 156 L HA 0.496 4.836 4.340 0.000 0.000 0.274 156 L C 0.479 177.341 176.870 -0.014 0.000 1.007 156 L CA -0.979 53.864 54.840 0.006 0.000 0.818 156 L CB 2.097 44.139 42.059 -0.029 0.000 1.284 156 L HN 0.039 nan 8.230 nan 0.000 0.424 157 T N -2.630 111.935 114.554 0.018 0.000 2.816 157 T HA 0.181 4.531 4.350 0.000 0.000 0.282 157 T C 0.957 175.661 174.700 0.006 0.000 0.993 157 T CA -0.710 61.397 62.100 0.012 0.000 0.994 157 T CB 0.840 69.729 68.868 0.034 0.000 1.025 157 T HN 0.495 nan 8.240 nan 0.000 0.529 158 N N 1.085 119.784 118.700 -0.003 0.000 2.069 158 N HA -0.126 4.614 4.740 0.000 0.000 0.191 158 N C 1.296 176.809 175.510 0.006 0.000 1.031 158 N CA 1.442 54.484 53.050 -0.013 0.000 0.852 158 N CB -0.525 37.951 38.487 -0.018 0.000 1.018 158 N HN 0.644 nan 8.380 nan 0.000 0.423 159 D N 1.070 121.499 120.400 0.048 0.000 2.218 159 D HA -0.091 4.549 4.640 0.000 0.000 0.204 159 D C 1.939 178.330 176.300 0.151 0.000 0.976 159 D CA 0.739 54.804 54.000 0.109 0.000 0.853 159 D CB -0.122 40.812 40.800 0.223 0.000 0.939 159 D HN 0.426 nan 8.370 nan 0.000 0.481 160 Q N -0.187 119.684 119.800 0.118 0.000 2.123 160 Q HA 0.023 4.363 4.340 0.000 0.000 0.199 160 Q C 2.347 178.420 176.000 0.122 0.000 0.966 160 Q CA 0.533 56.415 55.803 0.131 0.000 0.845 160 Q CB 0.158 28.960 28.738 0.107 0.000 0.907 160 Q HN 0.330 nan 8.270 nan 0.000 0.439 161 I N 0.437 121.059 120.570 0.087 0.000 2.361 161 I HA -0.274 3.896 4.170 0.000 0.000 0.251 161 I C 2.597 178.846 176.117 0.221 0.000 1.133 161 I CA 1.016 62.391 61.300 0.125 0.000 1.413 161 I CB -0.191 37.823 38.000 0.023 0.000 1.073 161 I HN 0.165 nan 8.210 nan 0.000 0.424 162 R N 0.453 120.987 120.500 0.057 0.000 2.055 162 R HA -0.133 4.208 4.340 0.000 0.000 0.226 162 R C 2.293 178.452 176.300 -0.234 0.000 1.135 162 R CA 1.516 57.551 56.100 -0.108 0.000 0.959 162 R CB -0.271 29.761 30.300 -0.448 0.000 0.854 162 R HN 0.248 nan 8.270 nan 0.000 0.431 163 Y N 0.169 120.510 120.300 0.068 0.000 2.365 163 Y HA -0.078 4.472 4.550 0.000 0.000 0.293 163 Y C 2.071 177.971 175.900 -0.000 0.000 1.119 163 Y CA 0.179 58.292 58.100 0.022 0.000 1.203 163 Y CB -0.093 38.377 38.460 0.017 0.000 1.026 163 Y HN 0.115 nan 8.280 nan 0.000 0.549 164 L N 2.213 123.530 121.223 0.157 0.000 2.013 164 L HA -0.140 4.200 4.340 0.000 0.000 0.212 164 L C -0.665 176.235 176.870 0.050 0.000 1.073 164 L CA 1.997 56.891 54.840 0.090 0.000 0.753 164 L CB -1.665 40.465 42.059 0.119 0.000 0.890 164 L HN -0.015 nan 8.230 nan 0.000 0.432 165 P HA -0.192 nan 4.420 nan 0.000 0.218 165 P C 1.115 178.328 177.300 -0.145 0.000 1.148 165 P CA 1.391 64.526 63.100 0.059 0.000 0.822 165 P CB -0.126 31.669 31.700 0.158 0.000 0.784 166 Q N -0.449 119.286 119.800 -0.108 0.000 2.137 166 Q HA -0.003 4.337 4.340 0.000 0.000 0.198 166 Q C 2.395 178.346 176.000 -0.082 0.000 0.960 166 Q CA 0.699 56.413 55.803 -0.147 0.000 0.847 166 Q CB -1.102 27.637 28.738 0.001 0.000 0.915 166 Q HN 0.331 nan 8.270 nan 0.000 0.448 167 L N 0.821 122.023 121.223 -0.036 0.000 2.072 167 L HA -0.134 4.206 4.340 0.000 0.000 0.205 167 L C 2.544 179.411 176.870 -0.004 0.000 1.079 167 L CA 1.664 56.467 54.840 -0.062 0.000 0.752 167 L CB -0.341 41.560 42.059 -0.263 0.000 0.906 167 L HN 0.378 nan 8.230 nan 0.000 0.436 168 C N -0.491 118.768 119.300 -0.069 0.000 2.430 168 C HA -0.048 4.412 4.460 0.000 0.000 0.288 168 C C 2.466 177.250 174.990 -0.342 0.000 1.448 168 C CA 0.179 59.106 59.018 -0.152 0.000 1.784 168 C CB -1.642 26.107 27.740 0.014 0.000 1.776 168 C HN 0.485 nan 8.230 nan 0.000 0.547 169 R N 0.239 120.586 120.500 -0.255 0.000 2.339 169 R HA -0.005 4.335 4.340 0.000 0.000 0.199 169 R C 1.767 177.879 176.300 -0.313 0.000 1.018 169 R CA 1.160 57.090 56.100 -0.283 0.000 1.036 169 R CB -0.486 29.515 30.300 -0.498 0.000 0.899 169 R HN 0.932 nan 8.270 nan 0.000 0.473 170 Y N -1.049 119.149 120.300 -0.170 0.000 2.384 170 Y HA -0.111 4.439 4.550 0.000 0.000 0.289 170 Y C 1.491 177.133 175.900 -0.430 0.000 1.152 170 Y CA 0.595 58.572 58.100 -0.205 0.000 1.258 170 Y CB -0.677 37.672 38.460 -0.185 0.000 0.979 170 Y HN -0.039 nan 8.280 nan 0.000 0.549 171 L N 0.632 121.157 121.223 -1.164 0.000 2.353 171 L HA -0.143 4.198 4.340 0.000 0.000 0.220 171 L C 2.158 178.777 176.870 -0.417 0.000 1.133 171 L CA 1.243 55.404 54.840 -1.131 0.000 0.798 171 L CB -0.494 40.706 42.059 -1.432 0.000 0.922 171 L HN 0.371 nan 8.230 nan 0.000 0.445 172 E N -0.123 119.934 120.200 -0.237 0.000 2.150 172 E HA -0.173 4.177 4.350 0.000 0.000 0.193 172 E C 1.731 178.382 176.600 0.084 0.000 0.985 172 E CA 0.697 57.081 56.400 -0.028 0.000 0.814 172 E CB 0.068 29.758 29.700 -0.017 0.000 0.752 172 E HN 0.321 nan 8.360 nan 0.000 0.466 173 L N -0.510 120.764 121.223 0.086 0.000 2.552 173 L HA -0.053 4.287 4.340 0.000 0.000 0.227 173 L C 1.379 178.460 176.870 0.352 0.000 1.146 173 L CA 0.833 55.806 54.840 0.221 0.000 0.858 173 L CB -0.977 41.232 42.059 0.250 0.000 0.969 173 L HN 0.294 nan 8.230 nan 0.000 0.451 174 W N -0.727 120.588 121.300 0.025 0.000 2.576 174 W HA 0.055 4.715 4.660 0.000 0.000 0.275 174 W C 2.556 179.052 176.519 -0.038 0.000 1.241 174 W CA 0.351 57.677 57.345 -0.032 0.000 1.328 174 W CB -0.338 29.029 29.460 -0.156 0.000 1.092 174 W HN 0.293 nan 8.180 nan 0.000 0.586 175 H N -1.857 117.420 119.070 0.344 0.000 2.729 175 H HA 0.246 4.802 4.556 0.000 0.000 0.263 175 H C 1.696 177.049 175.328 0.043 0.000 0.961 175 H CA 1.049 57.231 56.048 0.224 0.000 1.217 175 H CB 0.378 30.201 29.762 0.101 0.000 1.447 175 H HN 0.059 nan 8.280 nan 0.000 0.496 176 G N 1.436 110.336 108.800 0.167 0.000 2.182 176 G HA2 -0.223 3.737 3.960 0.000 0.000 0.248 176 G HA3 -0.223 3.737 3.960 0.000 0.000 0.248 176 G C -0.612 174.298 174.900 0.017 0.000 1.042 176 G CA 0.041 45.169 45.100 0.046 0.000 0.775 176 G HN 0.113 nan 8.290 nan 0.000 0.501 177 L N -0.012 121.239 121.223 0.047 0.000 2.431 177 L HA 0.556 4.896 4.340 0.000 0.000 0.266 177 L C 0.079 176.960 176.870 0.019 0.000 0.978 177 L CA -1.081 53.750 54.840 -0.015 0.000 0.822 177 L CB 1.913 43.910 42.059 -0.103 0.000 1.310 177 L HN 0.319 nan 8.230 nan 0.000 0.409 178 D N 1.560 121.980 120.400 0.033 0.000 2.400 178 D HA -0.047 4.593 4.640 0.000 0.000 0.238 178 D C 0.844 177.291 176.300 0.245 0.000 1.157 178 D CA 0.056 54.133 54.000 0.127 0.000 0.889 178 D CB 0.729 41.609 40.800 0.133 0.000 1.199 178 D HN 0.508 nan 8.370 nan 0.000 0.436 179 W N 2.916 124.255 121.300 0.065 0.000 2.632 179 W HA 0.022 4.682 4.660 0.000 0.000 0.248 179 W C 0.415 177.022 176.519 0.146 0.000 1.259 179 W CA 0.247 57.700 57.345 0.181 0.000 1.288 179 W CB -0.917 28.713 29.460 0.284 0.000 1.136 179 W HN 0.393 nan 8.180 nan 0.000 0.640 180 K N 0.202 120.704 120.400 0.171 0.000 2.353 180 K HA 0.203 4.523 4.320 0.000 0.000 0.195 180 K C 1.774 178.366 176.600 -0.013 0.000 1.031 180 K CA 0.157 56.427 56.287 -0.028 0.000 1.079 180 K CB 0.229 32.614 32.500 -0.192 0.000 0.857 180 K HN 0.181 nan 8.250 nan 0.000 0.535 181 L N 0.493 121.679 121.223 -0.062 0.000 2.556 181 L HA 0.173 4.513 4.340 0.000 0.000 0.226 181 L C 0.343 176.946 176.870 -0.445 0.000 1.089 181 L CA -0.239 54.427 54.840 -0.290 0.000 0.864 181 L CB 0.224 42.036 42.059 -0.410 0.000 1.067 181 L HN 0.086 nan 8.230 nan 0.000 0.477 182 L N 0.529 121.633 121.223 -0.198 0.000 2.305 182 L HA 0.228 4.568 4.340 0.000 0.000 0.281 182 L C 0.671 177.503 176.870 -0.064 0.000 1.085 182 L CA 0.077 54.804 54.840 -0.187 0.000 0.813 182 L CB 1.350 43.316 42.059 -0.155 0.000 1.157 182 L HN -0.082 nan 8.230 nan 0.000 0.436 183 S N 4.053 119.696 115.700 -0.095 0.000 2.498 183 S HA 0.300 4.770 4.470 0.000 0.000 0.281 183 S C 1.356 175.927 174.600 -0.047 0.000 1.265 183 S CA 0.003 58.179 58.200 -0.040 0.000 1.071 183 S CB 0.642 63.808 63.200 -0.057 0.000 0.894 183 S HN 0.933 nan 8.310 nan 0.000 0.491 184 A N 5.793 128.646 122.820 0.055 0.000 1.933 184 A HA -0.064 4.256 4.320 0.000 0.000 0.218 184 A C 2.131 179.630 177.584 -0.142 0.000 1.175 184 A CA 1.563 53.697 52.037 0.162 0.000 0.628 184 A CB -0.644 18.593 19.000 0.394 0.000 0.814 184 A HN 0.926 nan 8.150 nan 0.000 0.444 185 K N -0.663 119.427 120.400 -0.516 0.000 2.160 185 K HA -0.235 4.085 4.320 0.000 0.000 0.206 185 K C 0.948 177.326 176.600 -0.370 0.000 1.047 185 K CA 1.943 57.695 56.287 -0.891 0.000 0.930 185 K CB -0.143 31.960 32.500 -0.662 0.000 0.720 185 K HN 0.499 nan 8.250 nan 0.000 0.450 186 D N -1.345 118.941 120.400 -0.189 0.000 2.433 186 D HA 0.059 4.699 4.640 0.000 0.000 0.211 186 D C 0.964 177.284 176.300 0.033 0.000 1.114 186 D CA 0.107 54.075 54.000 -0.053 0.000 0.837 186 D CB 0.592 41.361 40.800 -0.051 0.000 0.984 186 D HN 0.025 nan 8.370 nan 0.000 0.505 187 T N -0.258 114.249 114.554 -0.078 0.000 2.595 187 T HA -0.151 4.199 4.350 0.000 0.000 0.264 187 T C 0.135 174.838 174.700 0.007 0.000 1.058 187 T CA 1.195 63.164 62.100 -0.219 0.000 1.166 187 T CB -0.300 68.264 68.868 -0.507 0.000 0.863 187 T HN 0.129 nan 8.240 nan 0.000 0.415 188 Y N 1.954 122.274 120.300 0.033 0.000 2.335 188 Y HA 0.421 4.971 4.550 0.000 0.000 0.331 188 Y C -0.307 175.734 175.900 0.235 0.000 1.094 188 Y CA -1.512 56.631 58.100 0.072 0.000 1.253 188 Y CB 0.134 38.623 38.460 0.048 0.000 1.203 188 Y HN 0.223 nan 8.280 nan 0.000 0.508 189 F N 0.033 120.153 119.950 0.283 0.000 2.573 189 F HA 0.749 5.276 4.527 0.000 0.000 0.316 189 F C -0.000 175.757 175.800 -0.071 0.000 1.148 189 F CA -1.736 56.307 58.000 0.071 0.000 0.940 189 F CB 0.469 39.447 39.000 -0.036 0.000 1.214 189 F HN 0.587 nan 8.300 nan 0.000 0.448 190 G N 2.745 111.615 108.800 0.117 0.000 2.484 190 G HA2 0.252 4.213 3.960 0.000 0.000 0.235 190 G HA3 0.252 4.213 3.960 0.000 0.000 0.235 190 G C -0.883 173.949 174.900 -0.114 0.000 1.282 190 G CA -0.350 44.768 45.100 0.030 0.000 0.857 190 G HN 0.862 nan 8.290 nan 0.000 0.571 191 H N 1.208 120.297 119.070 0.032 0.000 2.466 191 H HA 0.202 4.758 4.556 0.000 0.000 0.338 191 H C -0.019 175.322 175.328 0.023 0.000 1.091 191 H CA -0.526 55.519 56.048 -0.004 0.000 1.207 191 H CB 2.012 31.692 29.762 -0.137 0.000 1.466 191 H HN 0.419 nan 8.280 nan 0.000 0.493 192 Q N 2.363 122.246 119.800 0.139 0.000 3.179 192 Q HA 0.248 4.589 4.340 0.000 0.000 0.328 192 Q C 0.885 176.921 176.000 0.060 0.000 1.336 192 Q CA -0.126 55.727 55.803 0.085 0.000 0.939 192 Q CB 0.066 28.843 28.738 0.065 0.000 1.658 192 Q HN 1.005 nan 8.270 nan 0.000 0.486 193 G N 0.745 109.586 108.800 0.068 0.000 2.631 193 G HA2 -0.210 3.751 3.960 0.000 0.000 0.504 193 G HA3 -0.210 3.751 3.960 0.000 0.000 0.504 193 G C -0.653 174.263 174.900 0.027 0.000 1.306 193 G CA -1.040 44.084 45.100 0.039 0.000 0.897 193 G HN 0.441 nan 8.290 nan 0.000 0.520 194 R N -0.019 120.510 120.500 0.048 0.000 2.863 194 R HA 0.330 4.670 4.340 0.000 0.000 0.273 194 R C 0.365 176.674 176.300 0.016 0.000 1.057 194 R CA 0.330 56.479 56.100 0.081 0.000 1.191 194 R CB 0.080 30.524 30.300 0.240 0.000 1.104 194 R HN 0.613 nan 8.270 nan 0.000 0.519 195 N N -0.963 117.719 118.700 -0.029 0.000 2.466 195 N HA 0.489 5.229 4.740 0.000 0.000 0.294 195 N C -1.428 173.943 175.510 -0.232 0.000 1.129 195 N CA -0.484 52.483 53.050 -0.138 0.000 0.931 195 N CB 2.022 40.392 38.487 -0.196 0.000 1.193 195 N HN 0.584 nan 8.380 nan 0.000 0.500 196 A N 1.081 123.698 122.820 -0.338 0.000 2.343 196 A HA 0.452 4.772 4.320 0.000 0.000 0.308 196 A C -1.371 176.265 177.584 0.086 0.000 1.092 196 A CA -0.581 51.178 52.037 -0.463 0.000 0.751 196 A CB 0.121 18.454 19.000 -1.112 0.000 1.203 196 A HN 0.665 nan 8.150 nan 0.000 0.452 197 F N 3.425 123.408 119.950 0.055 0.000 2.466 197 F HA 0.464 4.991 4.527 0.000 0.000 0.363 197 F C 0.907 176.643 175.800 -0.107 0.000 1.109 197 F CA -0.093 57.842 58.000 -0.109 0.000 1.161 197 F CB 0.526 39.478 39.000 -0.080 0.000 1.117 197 F HN 0.749 nan 8.300 nan 0.000 0.539 198 A N 7.323 129.792 122.820 -0.586 0.000 2.524 198 A HA 0.238 4.558 4.320 0.000 0.000 0.250 198 A C 0.000 177.351 177.584 -0.389 0.000 1.078 198 A CA -0.306 51.424 52.037 -0.511 0.000 0.761 198 A CB -0.141 18.186 19.000 -1.122 0.000 1.012 198 A HN 0.899 nan 8.150 nan 0.000 0.500 199 L N 2.442 123.597 121.223 -0.112 0.000 2.865 199 L HA 0.383 4.723 4.340 0.000 0.000 0.233 199 L C 0.945 177.766 176.870 -0.081 0.000 1.320 199 L CA 0.741 55.554 54.840 -0.044 0.000 1.225 199 L CB -1.040 41.032 42.059 0.021 0.000 1.542 199 L HN 1.065 nan 8.230 nan 0.000 0.432 200 N N -0.945 117.672 118.700 -0.138 0.000 5.333 200 N HA -0.156 4.585 4.740 0.000 0.000 0.302 200 N C -0.078 175.390 175.510 -0.071 0.000 0.722 200 N CA -0.223 52.781 53.050 -0.078 0.000 0.705 200 N CB -1.980 nan 38.487 nan 0.000 1.806 200 N HN 0.293 nan 8.380 nan 0.000 0.700 201 Y N 0.307 120.528 120.300 -0.132 0.000 2.421 201 Y HA -0.141 4.409 4.550 0.000 0.000 0.292 201 Y C 2.378 178.253 175.900 -0.041 0.000 1.136 201 Y CA 1.891 59.923 58.100 -0.114 0.000 1.255 201 Y CB 0.467 38.830 38.460 -0.162 0.000 0.991 201 Y HN 0.869 nan 8.280 nan 0.000 0.552 202 D N -1.565 118.912 120.400 0.129 0.000 2.264 202 D HA -0.142 4.499 4.640 0.000 0.000 0.208 202 D C 1.843 178.183 176.300 0.068 0.000 0.966 202 D CA 1.209 55.265 54.000 0.092 0.000 0.864 202 D CB -0.510 40.327 40.800 0.061 0.000 0.933 202 D HN 0.150 nan 8.370 nan 0.000 0.499 203 S N -0.182 115.545 115.700 0.045 0.000 2.371 203 S HA -0.056 4.414 4.470 0.000 0.000 0.224 203 S C 2.244 176.874 174.600 0.049 0.000 1.029 203 S CA 0.732 58.948 58.200 0.026 0.000 0.978 203 S CB -0.126 63.074 63.200 -0.000 0.000 0.833 203 S HN 0.200 nan 8.310 nan 0.000 0.466 204 V N 1.403 121.365 119.914 0.080 0.000 2.295 204 V HA -0.126 3.994 4.120 0.000 0.000 0.246 204 V C 2.301 178.480 176.094 0.142 0.000 1.049 204 V CA 1.386 63.757 62.300 0.117 0.000 1.024 204 V CB -0.794 31.145 31.823 0.193 0.000 0.648 204 V HN 0.320 nan 8.190 nan 0.000 0.447 205 V N -0.420 119.585 119.914 0.151 0.000 2.295 205 V HA -0.255 3.865 4.120 0.000 0.000 0.246 205 V C 2.656 178.803 176.094 0.089 0.000 1.049 205 V CA 1.799 64.179 62.300 0.134 0.000 1.024 205 V CB -0.663 31.231 31.823 0.119 0.000 0.648 205 V HN 0.502 nan 8.190 nan 0.000 0.447 206 Q N -0.142 119.692 119.800 0.057 0.000 2.050 206 Q HA -0.212 4.128 4.340 0.000 0.000 0.202 206 Q C 2.321 178.318 176.000 -0.006 0.000 0.980 206 Q CA 1.948 57.759 55.803 0.014 0.000 0.840 206 Q CB -0.602 28.140 28.738 0.005 0.000 0.898 206 Q HN 0.640 nan 8.270 nan 0.000 0.424 207 R N 0.447 120.959 120.500 0.020 0.000 2.096 207 R HA -0.116 4.224 4.340 0.000 0.000 0.240 207 R C 2.259 178.574 176.300 0.025 0.000 1.139 207 R CA 1.493 57.604 56.100 0.017 0.000 0.952 207 R CB -0.294 30.030 30.300 0.040 0.000 0.854 207 R HN 0.242 nan 8.270 nan 0.000 0.436 208 I N 0.558 121.179 120.570 0.085 0.000 2.439 208 I HA -0.152 4.018 4.170 0.000 0.000 0.251 208 I C 2.558 178.693 176.117 0.029 0.000 1.139 208 I CA 0.959 62.344 61.300 0.142 0.000 1.438 208 I CB -0.438 37.719 38.000 0.262 0.000 1.085 208 I HN 0.327 nan 8.210 nan 0.000 0.427 209 A N 1.264 124.051 122.820 -0.055 0.000 1.902 209 A HA -0.218 4.102 4.320 0.000 0.000 0.217 209 A C 2.018 179.176 177.584 -0.710 0.000 1.181 209 A CA 1.501 53.372 52.037 -0.277 0.000 0.623 209 A CB -0.646 18.291 19.000 -0.104 0.000 0.818 209 A HN 0.662 nan 8.150 nan 0.000 0.443 210 Q N 0.094 119.653 119.800 -0.402 0.000 2.296 210 Q HA 0.230 4.570 4.340 0.000 0.000 0.273 210 Q C 0.377 176.185 176.000 -0.321 0.000 0.900 210 Q CA 0.545 56.110 55.803 -0.396 0.000 0.993 210 Q CB -0.227 28.384 28.738 -0.212 0.000 1.132 210 Q HN 0.498 nan 8.270 nan 0.000 0.439 211 S N -0.227 115.257 115.700 -0.360 0.000 2.602 211 S HA 0.353 4.823 4.470 0.000 0.000 0.240 211 S C -0.216 174.391 174.600 0.012 0.000 0.992 211 S CA -0.789 57.361 58.200 -0.084 0.000 0.971 211 S CB -0.367 62.873 63.200 0.068 0.000 0.855 211 S HN 0.471 nan 8.310 nan 0.000 0.481 212 F N -1.626 118.197 119.950 -0.212 0.000 2.713 212 F HA 0.754 5.281 4.527 0.000 0.000 0.311 212 F C -3.191 172.204 175.800 -0.676 0.000 1.141 212 F CA -2.523 55.105 58.000 -0.620 0.000 0.939 212 F CB -0.027 38.674 39.000 -0.497 0.000 1.325 212 F HN -0.237 nan 8.300 nan 0.000 0.453 213 P HA 0.008 nan 4.420 nan 0.000 0.260 213 P C 0.109 177.312 177.300 -0.162 0.000 1.207 213 P CA 0.317 63.093 63.100 -0.539 0.000 0.780 213 P CB 1.221 32.428 31.700 -0.821 0.000 0.789 214 Q N 4.266 123.993 119.800 -0.122 0.000 2.173 214 Q HA -0.286 4.055 4.340 0.000 0.000 0.208 214 Q C 1.130 177.197 176.000 0.110 0.000 0.989 214 Q CA 2.347 58.144 55.803 -0.010 0.000 0.872 214 Q CB -1.137 27.569 28.738 -0.053 0.000 0.909 214 Q HN 0.512 nan 8.270 nan 0.000 0.420 215 N N -1.172 117.581 118.700 0.088 0.000 2.609 215 N HA -0.149 4.591 4.740 0.000 0.000 0.190 215 N C 0.554 176.240 175.510 0.294 0.000 1.157 215 N CA 0.807 53.948 53.050 0.152 0.000 0.918 215 N CB -0.190 38.367 38.487 0.116 0.000 0.978 215 N HN 0.301 nan 8.380 nan 0.000 0.448 216 W N 0.257 121.602 121.300 0.074 0.000 2.576 216 W HA 0.342 5.002 4.660 0.000 0.000 0.270 216 W C 0.334 176.864 176.519 0.017 0.000 1.255 216 W CA -0.488 56.872 57.345 0.024 0.000 1.314 216 W CB -0.553 28.908 29.460 0.001 0.000 1.101 216 W HN 0.092 nan 8.180 nan 0.000 0.595 217 L N 2.291 123.717 121.223 0.339 0.000 2.360 217 L HA 0.182 4.522 4.340 0.000 0.000 0.276 217 L C -0.127 176.813 176.870 0.117 0.000 1.121 217 L CA 0.267 55.238 54.840 0.218 0.000 0.845 217 L CB 0.480 42.692 42.059 0.254 0.000 1.143 217 L HN -0.335 nan 8.230 nan 0.000 0.452 218 K N 5.432 125.867 120.400 0.058 0.000 2.572 218 K HA 0.475 4.796 4.320 0.000 0.000 0.244 218 K C -1.290 175.324 176.600 0.024 0.000 0.965 218 K CA -0.254 56.056 56.287 0.038 0.000 0.943 218 K CB 0.324 32.828 32.500 0.008 0.000 1.154 218 K HN 0.623 nan 8.250 nan 0.000 0.447 219 L N 1.937 123.180 121.223 0.034 0.000 2.456 219 L HA 0.268 4.608 4.340 0.000 0.000 0.257 219 L C 0.435 177.311 176.870 0.010 0.000 1.162 219 L CA -0.442 54.410 54.840 0.019 0.000 0.808 219 L CB 0.816 42.893 42.059 0.030 0.000 1.136 219 L HN 0.835 nan 8.230 nan 0.000 0.466 220 S N -0.600 115.095 115.700 -0.007 0.000 3.587 220 S HA -0.203 4.267 4.470 0.000 0.000 0.337 220 S C -0.182 174.417 174.600 -0.002 0.000 1.119 220 S CA 0.315 58.514 58.200 -0.002 0.000 0.976 220 S CB -1.345 61.869 63.200 0.023 0.000 0.922 220 S HN 0.651 nan 8.310 nan 0.000 0.503 221 c N 2.261 120.845 118.600 -0.026 0.000 2.258 221 c HA 0.415 4.985 4.570 0.000 0.000 0.321 221 c C 0.538 174.602 174.090 -0.044 0.000 1.168 221 c CA -0.601 55.722 56.329 -0.009 0.000 1.531 221 c CB 0.111 42.622 42.510 0.002 0.000 2.095 221 c HN 0.610 nan 8.230 nan 0.000 0.449 222 E N 4.494 124.685 120.200 -0.014 0.000 1.963 222 E HA 0.277 4.627 4.350 0.000 0.000 0.274 222 E C -0.427 176.176 176.600 0.004 0.000 1.061 222 E CA -0.230 56.165 56.400 -0.009 0.000 0.847 222 E CB 0.684 30.435 29.700 0.084 0.000 1.083 222 E HN 0.586 nan 8.360 nan 0.000 0.402 223 V N 6.029 125.930 119.914 -0.021 0.000 2.557 223 V HA -0.125 3.995 4.120 0.000 0.000 0.301 223 V C 1.321 177.391 176.094 -0.039 0.000 1.026 223 V CA 0.948 63.230 62.300 -0.030 0.000 1.137 223 V CB 0.527 32.316 31.823 -0.058 0.000 0.917 223 V HN 0.725 nan 8.190 nan 0.000 0.484 224 K N 2.852 123.225 120.400 -0.045 0.000 2.370 224 K HA 0.241 4.562 4.320 0.000 0.000 0.194 224 K C 0.432 176.963 176.600 -0.115 0.000 1.070 224 K CA 0.362 56.614 56.287 -0.058 0.000 0.998 224 K CB 0.649 33.131 32.500 -0.029 0.000 0.911 224 K HN 0.656 nan 8.250 nan 0.000 0.533 225 S N 0.507 116.127 115.700 -0.133 0.000 2.533 225 S HA 0.534 5.004 4.470 0.000 0.000 0.271 225 S C -0.893 173.593 174.600 -0.191 0.000 1.143 225 S CA -0.975 57.115 58.200 -0.184 0.000 0.891 225 S CB 1.211 64.347 63.200 -0.105 0.000 1.105 225 S HN 0.186 nan 8.310 nan 0.000 0.468 226 I N 2.542 122.944 120.570 -0.279 0.000 2.410 226 I HA 0.411 4.581 4.170 0.000 0.000 0.286 226 I C -0.575 175.519 176.117 -0.038 0.000 1.009 226 I CA -0.333 60.868 61.300 -0.166 0.000 1.111 226 I CB 2.093 39.967 38.000 -0.209 0.000 1.262 226 I HN 0.686 nan 8.210 nan 0.000 0.443 227 T N 5.430 119.977 114.554 -0.012 0.000 2.829 227 T HA 0.466 4.817 4.350 0.000 0.000 0.280 227 T C -0.271 174.436 174.700 0.012 0.000 0.999 227 T CA -0.738 61.370 62.100 0.014 0.000 0.983 227 T CB 1.882 70.749 68.868 -0.002 0.000 0.968 227 T HN 0.304 nan 8.240 nan 0.000 0.446 228 R N 2.442 122.955 120.500 0.022 0.000 2.393 228 R HA 0.402 4.743 4.340 0.000 0.000 0.315 228 R C -1.039 175.258 176.300 -0.005 0.000 0.952 228 R CA -0.645 55.454 56.100 -0.001 0.000 0.842 228 R CB 1.204 31.506 30.300 0.003 0.000 1.163 228 R HN 0.662 nan 8.270 nan 0.000 0.450 229 E N 4.822 125.011 120.200 -0.017 0.000 2.216 229 E HA 0.275 4.625 4.350 0.000 0.000 0.279 229 E C -1.569 175.018 176.600 -0.021 0.000 0.997 229 E CA -1.832 54.560 56.400 -0.015 0.000 0.817 229 E CB 1.223 30.913 29.700 -0.015 0.000 1.096 229 E HN 0.271 nan 8.360 nan 0.000 0.393 230 P HA -0.193 nan 4.420 nan 0.000 0.224 230 P C 0.067 177.354 177.300 -0.022 0.000 1.142 230 P CA 0.950 64.039 63.100 -0.018 0.000 0.778 230 P CB 0.054 31.747 31.700 -0.011 0.000 0.764 231 S N -0.260 115.427 115.700 -0.021 0.000 3.227 231 S HA 0.124 4.594 4.470 0.000 0.000 0.249 231 S C 0.410 174.992 174.600 -0.029 0.000 1.322 231 S CA -0.617 57.571 58.200 -0.021 0.000 1.253 231 S CB -1.216 61.974 63.200 -0.016 0.000 1.076 231 S HN 0.091 nan 8.310 nan 0.000 0.471 232 K N 1.224 121.601 120.400 -0.039 0.000 3.777 232 K HA -0.188 4.132 4.320 0.000 0.000 0.276 232 K C -0.605 175.953 176.600 -0.070 0.000 0.877 232 K CA 0.568 56.820 56.287 -0.059 0.000 0.724 232 K CB -1.426 31.048 32.500 -0.043 0.000 1.589 232 K HN 0.623 nan 8.250 nan 0.000 0.444 233 N N -0.562 118.092 118.700 -0.076 0.000 2.935 233 N HA 0.280 5.021 4.740 0.000 0.000 0.248 233 N C -1.474 173.993 175.510 -0.071 0.000 1.276 233 N CA -0.605 52.401 53.050 -0.074 0.000 0.906 233 N CB 2.125 40.586 38.487 -0.043 0.000 1.564 233 N HN -0.057 nan 8.380 nan 0.000 0.500 234 V N 1.153 121.024 119.914 -0.072 0.000 2.487 234 V HA 0.531 4.651 4.120 0.000 0.000 0.298 234 V C -0.206 175.870 176.094 -0.030 0.000 1.028 234 V CA -0.406 61.861 62.300 -0.055 0.000 0.860 234 V CB 1.840 33.615 31.823 -0.079 0.000 0.991 234 V HN 0.642 nan 8.190 nan 0.000 0.427 235 T N 4.471 119.014 114.554 -0.018 0.000 2.758 235 T HA 0.605 4.956 4.350 0.000 0.000 0.285 235 T C -0.413 174.284 174.700 -0.005 0.000 0.981 235 T CA -0.322 61.775 62.100 -0.005 0.000 0.965 235 T CB 1.391 70.253 68.868 -0.010 0.000 0.927 235 T HN 0.353 nan 8.240 nan 0.000 0.448 236 V N 5.606 125.535 119.914 0.025 0.000 2.540 236 V HA 0.595 4.715 4.120 0.000 0.000 0.302 236 V C -0.722 175.431 176.094 0.098 0.000 1.035 236 V CA -1.075 61.239 62.300 0.024 0.000 0.873 236 V CB 1.775 33.597 31.823 -0.001 0.000 0.992 236 V HN 0.975 nan 8.190 nan 0.000 0.428 237 N N 2.727 121.457 118.700 0.050 0.000 2.430 237 N HA 0.314 5.054 4.740 0.000 0.000 0.290 237 N C -0.657 174.880 175.510 0.045 0.000 1.063 237 N CA -0.437 52.649 53.050 0.061 0.000 0.883 237 N CB 1.228 39.711 38.487 -0.008 0.000 1.465 237 N HN 0.485 nan 8.380 nan 0.000 0.493 238 c N 1.365 120.021 118.600 0.093 0.000 2.727 238 c HA 0.004 4.575 4.570 0.000 0.000 0.401 238 c C 2.262 176.366 174.090 0.024 0.000 1.294 238 c CA -0.070 56.294 56.329 0.058 0.000 2.134 238 c CB -0.226 42.339 42.510 0.091 0.000 2.724 238 c HN 0.941 nan 8.230 nan 0.000 0.677 239 E N 0.940 121.152 120.200 0.019 0.000 2.472 239 E HA -0.172 4.178 4.350 0.000 0.000 0.200 239 E C 0.995 177.601 176.600 0.010 0.000 1.046 239 E CA 1.557 57.964 56.400 0.011 0.000 0.871 239 E CB -0.235 29.476 29.700 0.020 0.000 0.806 239 E HN 0.779 nan 8.360 nan 0.000 0.533 240 D N -0.412 119.997 120.400 0.014 0.000 2.325 240 D HA 0.082 4.722 4.640 0.000 0.000 0.234 240 D C 1.338 177.634 176.300 -0.007 0.000 1.122 240 D CA 0.567 54.572 54.000 0.009 0.000 0.850 240 D CB 0.151 40.961 40.800 0.017 0.000 0.921 240 D HN 0.329 nan 8.370 nan 0.000 0.513 241 G N 0.429 109.220 108.800 -0.015 0.000 2.420 241 G HA2 -0.304 3.656 3.960 0.000 0.000 0.221 241 G HA3 -0.304 3.656 3.960 0.000 0.000 0.221 241 G C 0.607 175.469 174.900 -0.063 0.000 1.117 241 G CA 0.325 45.405 45.100 -0.033 0.000 0.657 241 G HN 0.892 nan 8.290 nan 0.000 0.512 242 T N 0.180 114.686 114.554 -0.080 0.000 2.933 242 T HA 0.454 4.804 4.350 0.000 0.000 0.306 242 T C 0.217 174.781 174.700 -0.225 0.000 1.045 242 T CA 0.484 62.476 62.100 -0.180 0.000 1.143 242 T CB 1.520 70.259 68.868 -0.216 0.000 1.003 242 T HN 1.146 nan 8.240 nan 0.000 0.540 243 V N 4.262 123.982 119.914 -0.324 0.000 2.715 243 V HA 0.588 4.708 4.120 0.000 0.000 0.310 243 V C -0.956 174.887 176.094 -0.417 0.000 1.054 243 V CA -1.018 61.135 62.300 -0.244 0.000 0.928 243 V CB 1.530 33.275 31.823 -0.130 0.000 1.007 243 V HN 0.961 nan 8.190 nan 0.000 0.437 244 Y N 1.713 121.986 120.300 -0.045 0.000 2.512 244 Y HA 0.542 5.093 4.550 0.000 0.000 0.348 244 Y C -0.016 175.853 175.900 -0.052 0.000 0.990 244 Y CA -0.743 57.327 58.100 -0.049 0.000 1.033 244 Y CB 2.151 40.574 38.460 -0.061 0.000 1.259 244 Y HN 0.646 nan 8.280 nan 0.000 0.461 245 N N 1.263 120.034 118.700 0.119 0.000 2.399 245 N HA 0.769 5.509 4.740 0.000 0.000 0.284 245 N C -1.688 173.839 175.510 0.028 0.000 1.025 245 N CA -0.243 52.833 53.050 0.043 0.000 0.885 245 N CB 1.214 39.710 38.487 0.015 0.000 1.339 245 N HN 0.790 nan 8.380 nan 0.000 0.487 246 A N 2.182 125.000 122.820 -0.003 0.000 2.469 246 A HA 0.428 4.748 4.320 0.000 0.000 0.299 246 A C 0.101 177.665 177.584 -0.033 0.000 1.098 246 A CA -0.628 51.397 52.037 -0.020 0.000 0.737 246 A CB 1.035 20.006 19.000 -0.049 0.000 1.312 246 A HN 0.673 nan 8.150 nan 0.000 0.414 247 D N -0.237 120.168 120.400 0.007 0.000 2.078 247 D HA -0.035 4.606 4.640 0.000 0.000 0.193 247 D C -0.343 175.867 176.300 -0.150 0.000 0.990 247 D CA 2.229 56.232 54.000 0.005 0.000 0.827 247 D CB -0.103 40.828 40.800 0.218 0.000 0.975 247 D HN 0.527 nan 8.370 nan 0.000 0.451 248 Y N -0.796 119.456 120.300 -0.079 0.000 2.485 248 Y HA 0.480 5.030 4.550 0.000 0.000 0.345 248 Y C -0.118 175.712 175.900 -0.116 0.000 0.998 248 Y CA -0.940 57.106 58.100 -0.090 0.000 1.059 248 Y CB 2.272 40.679 38.460 -0.089 0.000 1.234 248 Y HN -0.390 nan 8.280 nan 0.000 0.461 249 V N 4.717 124.627 119.914 -0.007 0.000 2.482 249 V HA 0.395 4.516 4.120 0.000 0.000 0.295 249 V C -0.618 175.408 176.094 -0.112 0.000 1.026 249 V CA -0.779 61.475 62.300 -0.076 0.000 0.856 249 V CB 1.494 33.260 31.823 -0.095 0.000 1.001 249 V HN 0.579 nan 8.190 nan 0.000 0.424 250 I N 6.518 127.021 120.570 -0.112 0.000 2.347 250 I HA 0.418 4.589 4.170 0.000 0.000 0.283 250 I C -0.276 175.775 176.117 -0.109 0.000 1.058 250 I CA -0.206 61.022 61.300 -0.121 0.000 1.202 250 I CB 0.987 38.936 38.000 -0.084 0.000 1.386 250 I HN 0.436 nan 8.210 nan 0.000 0.475 251 I N 5.707 126.176 120.570 -0.169 0.000 2.337 251 I HA 0.094 4.265 4.170 0.000 0.000 0.291 251 I C 1.283 177.491 176.117 0.151 0.000 1.046 251 I CA 0.093 61.380 61.300 -0.023 0.000 1.324 251 I CB 1.035 39.021 38.000 -0.024 0.000 1.409 251 I HN 0.587 nan 8.210 nan 0.000 0.494 252 T N 2.361 117.008 114.554 0.154 0.000 3.129 252 T HA 0.170 4.520 4.350 0.000 0.000 0.267 252 T C 0.434 175.279 174.700 0.242 0.000 1.018 252 T CA -0.394 61.836 62.100 0.218 0.000 0.903 252 T CB -0.392 68.560 68.868 0.141 0.000 1.067 252 T HN 0.373 nan 8.240 nan 0.000 0.549 253 V N -0.058 119.987 119.914 0.219 0.000 3.061 253 V HA 0.348 4.468 4.120 0.000 0.000 0.306 253 V C -2.538 173.628 176.094 0.121 0.000 1.118 253 V CA -1.690 60.707 62.300 0.162 0.000 1.231 253 V CB -0.422 31.495 31.823 0.156 0.000 0.956 253 V HN 0.084 nan 8.190 nan 0.000 0.499 254 P HA 0.067 nan 4.420 nan 0.000 0.269 254 P C 0.690 177.783 177.300 -0.345 0.000 1.217 254 P CA 0.057 63.077 63.100 -0.134 0.000 0.783 254 P CB 0.362 32.055 31.700 -0.011 0.000 0.898 255 Q N 1.740 121.159 119.800 -0.635 0.000 2.135 255 Q HA -0.225 4.115 4.340 0.000 0.000 0.204 255 Q C 1.750 177.581 176.000 -0.281 0.000 0.981 255 Q CA 2.500 58.070 55.803 -0.389 0.000 0.856 255 Q CB -0.361 28.290 28.738 -0.146 0.000 0.902 255 Q HN 0.578 nan 8.270 nan 0.000 0.425 256 S N -0.857 114.348 115.700 -0.825 0.000 2.368 256 S HA -0.125 4.345 4.470 0.000 0.000 0.225 256 S C 1.950 176.353 174.600 -0.329 0.000 1.030 256 S CA 1.384 59.136 58.200 -0.746 0.000 0.999 256 S CB -0.706 61.786 63.200 -1.180 0.000 0.844 256 S HN 0.260 nan 8.310 nan 0.000 0.459 257 V N 1.889 121.664 119.914 -0.232 0.000 2.270 257 V HA -0.053 4.067 4.120 0.000 0.000 0.245 257 V C 2.503 178.576 176.094 -0.035 0.000 1.043 257 V CA 1.611 63.863 62.300 -0.079 0.000 1.014 257 V CB -0.949 30.885 31.823 0.019 0.000 0.645 257 V HN 0.474 nan 8.190 nan 0.000 0.447 258 L N 1.079 122.317 121.223 0.025 0.000 2.189 258 L HA -0.204 4.136 4.340 0.000 0.000 0.214 258 L C 1.996 178.806 176.870 -0.100 0.000 1.097 258 L CA 2.024 56.944 54.840 0.132 0.000 0.764 258 L CB -1.260 40.974 42.059 0.292 0.000 0.900 258 L HN 0.453 nan 8.230 nan 0.000 0.436 259 N N -1.048 117.482 118.700 -0.285 0.000 2.571 259 N HA -0.120 4.620 4.740 0.000 0.000 0.189 259 N C 1.568 176.791 175.510 -0.478 0.000 1.154 259 N CA 0.167 52.722 53.050 -0.825 0.000 0.907 259 N CB 0.009 38.202 38.487 -0.490 0.000 0.977 259 N HN 0.474 nan 8.380 nan 0.000 0.449 260 L N -0.436 120.641 121.223 -0.243 0.000 2.341 260 L HA 0.022 4.363 4.340 0.000 0.000 0.214 260 L C 2.246 179.052 176.870 -0.108 0.000 1.115 260 L CA 0.241 54.991 54.840 -0.150 0.000 0.820 260 L CB -0.107 41.901 42.059 -0.083 0.000 0.944 260 L HN 0.118 nan 8.230 nan 0.000 0.452 261 S N 0.561 116.220 115.700 -0.069 0.000 2.359 261 S HA -0.159 4.312 4.470 0.000 0.000 0.224 261 S C 1.693 176.276 174.600 -0.028 0.000 1.035 261 S CA 1.530 59.758 58.200 0.047 0.000 1.018 261 S CB -0.436 62.928 63.200 0.273 0.000 0.876 261 S HN 0.413 nan 8.310 nan 0.000 0.448 262 V N 0.287 120.106 119.914 -0.158 0.000 3.488 262 V HA 0.178 4.298 4.120 0.000 0.000 0.286 262 V C -0.053 175.975 176.094 -0.110 0.000 1.206 262 V CA 0.221 62.437 62.300 -0.140 0.000 1.238 262 V CB -1.597 30.091 31.823 -0.225 0.000 1.004 262 V HN 0.377 nan 8.190 nan 0.000 0.445 263 Q N 0.375 120.124 119.800 -0.086 0.000 2.590 263 Q HA 0.572 4.913 4.340 0.000 0.000 0.295 263 Q C -2.897 173.077 176.000 -0.043 0.000 0.973 263 Q CA -1.668 54.094 55.803 -0.067 0.000 0.768 263 Q CB 2.214 30.899 28.738 -0.089 0.000 1.479 263 Q HN 0.229 nan 8.270 nan 0.000 0.419 268 L N 2.443 123.647 121.223 -0.030 0.000 2.467 268 L HA 0.225 4.565 4.340 0.000 0.000 0.270 268 L C 1.161 178.010 176.870 -0.036 0.000 1.205 268 L CA -0.125 54.691 54.840 -0.040 0.000 0.828 268 L CB 0.397 42.427 42.059 -0.049 0.000 1.101 268 L HN 0.101 nan 8.230 nan 0.000 0.479 269 R N 0.901 121.366 120.500 -0.060 0.000 2.489 269 R HA 0.229 4.569 4.340 0.000 0.000 0.287 269 R C 0.937 177.215 176.300 -0.037 0.000 1.053 269 R CA 1.084 57.145 56.100 -0.066 0.000 1.036 269 R CB 0.219 30.420 30.300 -0.164 0.000 0.966 269 R HN 0.858 nan 8.270 nan 0.000 0.432 270 G N 3.495 112.362 108.800 0.111 0.000 2.317 270 G HA2 -0.328 3.632 3.960 0.000 0.000 0.227 270 G HA3 -0.328 3.632 3.960 0.000 0.000 0.227 270 G C 0.204 175.166 174.900 0.105 0.000 1.042 270 G CA 0.145 45.383 45.100 0.231 0.000 0.623 270 G HN 0.654 nan 8.290 nan 0.000 0.509 271 R N 1.205 121.728 120.500 0.038 0.000 2.537 271 R HA 0.346 4.686 4.340 0.000 0.000 0.281 271 R C -0.104 176.183 176.300 -0.022 0.000 0.988 271 R CA 0.232 56.337 56.100 0.008 0.000 1.077 271 R CB -0.124 30.168 30.300 -0.014 0.000 0.932 271 R HN 0.370 nan 8.270 nan 0.000 0.409 272 I N 3.503 124.039 120.570 -0.055 0.000 2.354 272 I HA 0.110 4.280 4.170 0.000 0.000 0.292 272 I C -0.126 175.827 176.117 -0.275 0.000 0.989 272 I CA -0.710 60.456 61.300 -0.223 0.000 1.188 272 I CB 1.732 39.483 38.000 -0.415 0.000 1.342 272 I HN 0.574 nan 8.210 nan 0.000 0.457 273 E N 6.675 126.734 120.200 -0.236 0.000 2.105 273 E HA 0.290 4.640 4.350 0.000 0.000 0.285 273 E C -1.437 175.041 176.600 -0.202 0.000 1.055 273 E CA -0.074 56.249 56.400 -0.129 0.000 0.843 273 E CB 0.308 29.968 29.700 -0.067 0.000 1.067 273 E HN 0.210 nan 8.360 nan 0.000 0.398 274 F N 3.440 123.405 119.950 0.025 0.000 2.394 274 F HA 0.382 4.909 4.527 0.000 0.000 0.340 274 F C 0.392 176.204 175.800 0.021 0.000 1.105 274 F CA -0.435 57.585 58.000 0.033 0.000 1.124 274 F CB 1.476 40.513 39.000 0.062 0.000 1.145 274 F HN 0.314 nan 8.300 nan 0.000 0.505 275 Q N 5.508 125.429 119.800 0.201 0.000 2.294 275 Q HA 0.362 4.703 4.340 0.000 0.000 0.264 275 Q C -2.715 173.346 176.000 0.101 0.000 0.992 275 Q CA -2.349 53.523 55.803 0.114 0.000 0.747 275 Q CB 2.024 30.795 28.738 0.055 0.000 1.262 275 Q HN 0.151 nan 8.270 nan 0.000 0.452 276 P HA 0.245 nan 4.420 nan 0.000 0.274 276 P C -2.494 174.875 177.300 0.114 0.000 1.256 276 P CA -1.173 61.975 63.100 0.079 0.000 0.795 276 P CB 0.093 31.821 31.700 0.047 0.000 1.038 277 P HA 0.033 nan 4.420 nan 0.000 0.270 277 P C 0.073 177.393 177.300 0.033 0.000 1.227 277 P CA 0.174 63.331 63.100 0.094 0.000 0.788 277 P CB 0.441 32.177 31.700 0.059 0.000 0.926 278 L N 1.460 122.666 121.223 -0.028 0.000 2.513 278 L HA 0.018 4.358 4.340 0.000 0.000 0.272 278 L C 1.707 178.553 176.870 -0.039 0.000 1.187 278 L CA -0.131 54.643 54.840 -0.111 0.000 0.895 278 L CB -0.407 41.549 42.059 -0.172 0.000 1.147 278 L HN 0.472 nan 8.230 nan 0.000 0.483 279 K N 4.911 125.292 120.400 -0.032 0.000 2.457 279 K HA -0.016 4.304 4.320 0.000 0.000 0.269 279 K C -1.857 174.736 176.600 -0.012 0.000 0.969 279 K CA -0.915 55.363 56.287 -0.015 0.000 0.921 279 K CB -0.013 32.480 32.500 -0.013 0.000 0.940 279 K HN 0.316 nan 8.250 nan 0.000 0.517 280 P HA -0.231 nan 4.420 nan 0.000 0.214 280 P C 1.738 179.034 177.300 -0.006 0.000 1.163 280 P CA 1.176 64.276 63.100 -0.000 0.000 0.883 280 P CB -0.137 31.562 31.700 -0.001 0.000 0.788 281 V N 0.335 120.237 119.914 -0.019 0.000 2.317 281 V HA -0.259 3.861 4.120 0.000 0.000 0.251 281 V C 2.530 178.591 176.094 -0.056 0.000 1.065 281 V CA 1.809 64.088 62.300 -0.036 0.000 1.049 281 V CB -1.065 30.733 31.823 -0.042 0.000 0.651 281 V HN -0.056 nan 8.190 nan 0.000 0.450 282 I N -0.536 119.998 120.570 -0.061 0.000 2.193 282 I HA -0.250 3.921 4.170 0.000 0.000 0.240 282 I C 2.694 178.832 176.117 0.035 0.000 1.084 282 I CA 1.889 63.133 61.300 -0.094 0.000 1.365 282 I CB -0.630 37.298 38.000 -0.121 0.000 1.064 282 I HN 0.350 nan 8.210 nan 0.000 0.410 283 Q N 0.636 120.503 119.800 0.110 0.000 2.181 283 Q HA -0.227 4.113 4.340 0.000 0.000 0.205 283 Q C 1.579 177.692 176.000 0.189 0.000 0.980 283 Q CA 1.416 57.346 55.803 0.211 0.000 0.862 283 Q CB -0.204 28.583 28.738 0.082 0.000 0.905 283 Q HN 0.564 nan 8.270 nan 0.000 0.429 284 D N 0.474 120.920 120.400 0.076 0.000 2.183 284 D HA -0.062 4.579 4.640 0.000 0.000 0.203 284 D C 1.811 178.121 176.300 0.018 0.000 0.969 284 D CA 1.014 55.040 54.000 0.043 0.000 0.842 284 D CB -0.013 40.791 40.800 0.006 0.000 0.957 284 D HN 0.226 nan 8.370 nan 0.000 0.484 285 A N 0.728 123.514 122.820 -0.056 0.000 1.978 285 A HA -0.168 4.152 4.320 0.000 0.000 0.220 285 A C 1.856 179.328 177.584 -0.187 0.000 1.170 285 A CA 0.913 52.848 52.037 -0.171 0.000 0.636 285 A CB -1.079 17.738 19.000 -0.306 0.000 0.810 285 A HN 0.148 nan 8.150 nan 0.000 0.448 286 F N 0.296 120.229 119.950 -0.029 0.000 2.494 286 F HA -0.119 4.408 4.527 0.000 0.000 0.298 286 F C 1.853 177.671 175.800 0.030 0.000 1.106 286 F CA 1.181 59.181 58.000 -0.002 0.000 1.452 286 F CB -0.006 38.983 39.000 -0.018 0.000 1.085 286 F HN 0.256 nan 8.300 nan 0.000 0.569 287 D N -0.337 120.148 120.400 0.141 0.000 2.249 287 D HA -0.037 4.603 4.640 0.000 0.000 0.205 287 D C 1.570 177.880 176.300 0.016 0.000 0.962 287 D CA 0.816 54.878 54.000 0.103 0.000 0.860 287 D CB 0.072 40.911 40.800 0.066 0.000 0.955 287 D HN 0.160 nan 8.370 nan 0.000 0.505 288 K N 0.433 120.801 120.400 -0.053 0.000 2.498 288 K HA 0.228 4.549 4.320 0.000 0.000 0.207 288 K C -0.091 176.395 176.600 -0.190 0.000 1.033 288 K CA -0.426 55.786 56.287 -0.125 0.000 1.138 288 K CB 1.237 33.686 32.500 -0.084 0.000 0.860 288 K HN 0.100 nan 8.250 nan 0.000 0.490 289 I N -0.887 119.552 120.570 -0.218 0.000 2.743 289 I HA 0.242 4.412 4.170 0.000 0.000 0.292 289 I C -1.070 175.047 176.117 0.000 0.000 1.343 289 I CA -0.507 60.701 61.300 -0.153 0.000 1.038 289 I CB 1.470 39.427 38.000 -0.071 0.000 1.311 289 I HN 0.169 nan 8.210 nan 0.000 0.426 290 H N 4.489 123.621 119.070 0.104 0.000 3.436 290 H HA 0.626 5.183 4.556 0.000 0.000 0.312 290 H C -1.577 173.943 175.328 0.321 0.000 1.675 290 H CA -0.869 55.245 56.048 0.111 0.000 1.361 290 H CB 1.691 31.355 29.762 -0.162 0.000 1.731 290 H HN 0.428 nan 8.280 nan 0.000 0.732 291 F N 0.626 120.726 119.950 0.250 0.000 2.547 291 F HA 0.456 4.983 4.527 0.000 0.000 0.316 291 F C 0.289 176.185 175.800 0.159 0.000 1.121 291 F CA -0.444 57.648 58.000 0.153 0.000 0.911 291 F CB 1.725 40.771 39.000 0.077 0.000 1.179 291 F HN 0.552 nan 8.300 nan 0.000 0.443 292 G N 1.565 110.204 108.800 -0.268 0.000 2.522 292 G HA2 0.559 4.519 3.960 0.000 0.000 0.304 292 G HA3 0.559 4.519 3.960 0.000 0.000 0.304 292 G C -1.127 173.610 174.900 -0.273 0.000 1.210 292 G CA -0.355 44.605 45.100 -0.232 0.000 0.960 292 G HN 0.953 nan 8.290 nan 0.000 0.497 293 A N 0.341 123.067 122.820 -0.157 0.000 3.297 293 A HA 0.488 4.808 4.320 0.000 0.000 0.304 293 A C -0.261 177.297 177.584 -0.042 0.000 0.963 293 A CA -0.457 51.539 52.037 -0.069 0.000 0.935 293 A CB -0.001 19.015 19.000 0.026 0.000 1.093 293 A HN 0.644 nan 8.150 nan 0.000 0.480 294 L N 1.367 122.516 121.223 -0.123 0.000 2.455 294 L HA 0.574 4.914 4.340 0.000 0.000 0.272 294 L C 0.565 177.517 176.870 0.137 0.000 1.174 294 L CA 0.910 55.774 54.840 0.040 0.000 0.869 294 L CB 0.735 42.861 42.059 0.112 0.000 1.130 294 L HN 0.438 nan 8.230 nan 0.000 0.474 295 G N 4.168 113.070 108.800 0.170 0.000 2.658 295 G HA2 0.653 4.613 3.960 0.000 0.000 0.292 295 G HA3 0.653 4.613 3.960 0.000 0.000 0.292 295 G C -1.499 173.502 174.900 0.168 0.000 1.320 295 G CA -0.768 44.453 45.100 0.203 0.000 0.933 295 G HN 0.552 nan 8.290 nan 0.000 0.476 296 K N -0.559 119.920 120.400 0.131 0.000 2.469 296 K HA 0.632 4.952 4.320 0.000 0.000 0.254 296 K C -1.549 175.001 176.600 -0.084 0.000 0.939 296 K CA -0.764 55.550 56.287 0.044 0.000 0.812 296 K CB 3.147 35.701 32.500 0.090 0.000 1.301 296 K HN 0.260 nan 8.250 nan 0.000 0.433 297 V N 3.673 123.467 119.914 -0.200 0.000 2.531 297 V HA 0.394 4.514 4.120 0.000 0.000 0.301 297 V C -0.735 175.055 176.094 -0.507 0.000 1.034 297 V CA -0.932 61.112 62.300 -0.428 0.000 0.865 297 V CB 1.643 33.082 31.823 -0.641 0.000 0.995 297 V HN 0.607 nan 8.190 nan 0.000 0.424 298 I N 4.871 125.098 120.570 -0.571 0.000 2.321 298 I HA 0.463 4.633 4.170 0.000 0.000 0.291 298 I C -0.629 175.095 176.117 -0.656 0.000 0.998 298 I CA -0.455 60.525 61.300 -0.532 0.000 1.227 298 I CB 1.047 38.634 38.000 -0.689 0.000 1.368 298 I HN 0.419 nan 8.210 nan 0.000 0.466 299 F N 4.459 124.259 119.950 -0.249 0.000 2.332 299 F HA 0.356 4.884 4.527 0.001 0.000 0.368 299 F C 0.727 176.226 175.800 -0.501 0.000 1.110 299 F CA -0.614 57.159 58.000 -0.379 0.000 1.087 299 F CB 0.944 39.755 39.000 -0.315 0.000 1.235 299 F HN 0.381 nan 8.300 nan 0.000 0.470 300 E N 4.140 124.120 120.200 -0.368 0.000 2.115 300 E HA 0.338 4.688 4.350 0.000 0.000 0.282 300 E C -0.992 175.370 176.600 -0.398 0.000 0.987 300 E CA -0.476 55.795 56.400 -0.215 0.000 0.797 300 E CB 1.158 30.831 29.700 -0.044 0.000 1.086 300 E HN 0.345 nan 8.360 nan 0.000 0.397 301 F N 1.159 121.152 119.950 0.071 0.000 2.403 301 F HA 0.118 4.646 4.527 0.000 0.000 0.326 301 F C 1.792 177.656 175.800 0.106 0.000 1.081 301 F CA -0.680 57.362 58.000 0.069 0.000 1.041 301 F CB 0.965 40.075 39.000 0.184 0.000 1.234 301 F HN 0.422 nan 8.300 nan 0.000 0.503 302 E N 1.081 121.431 120.200 0.250 0.000 2.049 302 E HA -0.181 4.169 4.350 0.000 0.000 0.198 302 E C -0.186 176.547 176.600 0.222 0.000 1.007 302 E CA 1.858 58.400 56.400 0.236 0.000 0.809 302 E CB 0.033 29.828 29.700 0.158 0.000 0.749 302 E HN 0.710 nan 8.360 nan 0.000 0.450 303 E N -2.468 117.826 120.200 0.157 0.000 2.447 303 E HA 0.267 4.617 4.350 0.000 0.000 0.279 303 E C -1.301 175.190 176.600 -0.183 0.000 1.053 303 E CA -0.853 55.560 56.400 0.020 0.000 0.840 303 E CB 0.542 30.232 29.700 -0.017 0.000 1.409 303 E HN 0.071 nan 8.360 nan 0.000 0.461 304 C N 1.422 120.468 119.300 -0.424 0.000 2.576 304 C HA 0.532 4.992 4.460 0.000 0.000 0.401 304 C C 0.950 175.475 174.990 -0.774 0.000 1.314 304 C CA 0.107 58.481 59.018 -1.074 0.000 1.855 304 C CB -1.279 25.917 27.740 -0.907 0.000 2.537 304 C HN 0.720 nan 8.230 nan 0.000 0.578 305 C N 4.957 123.758 119.300 -0.830 0.000 3.304 305 C HA 0.603 5.064 4.460 0.000 0.000 0.264 305 C C -0.703 174.220 174.990 -0.113 0.000 2.233 305 C CA -0.750 58.080 59.018 -0.313 0.000 1.661 305 C CB -2.126 25.545 27.740 -0.115 0.000 3.383 305 C HN 0.989 nan 8.230 nan 0.000 0.427 306 W N -0.344 120.913 121.300 -0.071 0.000 3.029 306 W HA 0.755 5.415 4.660 0.000 0.000 0.339 306 W C -0.339 176.164 176.519 -0.027 0.000 1.198 306 W CA -1.141 56.171 57.345 -0.055 0.000 1.148 306 W CB 0.269 29.692 29.460 -0.061 0.000 1.451 306 W HN 0.110 nan 8.180 nan 0.000 0.564 307 S N 1.476 117.331 115.700 0.258 0.000 2.533 307 S HA 0.115 4.585 4.470 0.000 0.000 0.282 307 S C 0.110 174.851 174.600 0.235 0.000 1.304 307 S CA -0.180 58.112 58.200 0.153 0.000 1.063 307 S CB 0.003 63.261 63.200 0.098 0.000 0.881 307 S HN 0.495 nan 8.310 nan 0.000 0.493 308 N N 3.912 122.686 118.700 0.123 0.000 2.758 308 N HA 0.086 4.826 4.740 0.000 0.000 0.293 308 N C 1.028 176.575 175.510 0.062 0.000 1.273 308 N CA -0.052 53.075 53.050 0.127 0.000 1.022 308 N CB 0.471 39.002 38.487 0.072 0.000 1.334 308 N HN 0.825 nan 8.380 nan 0.000 0.519 309 E N -0.046 120.183 120.200 0.049 0.000 2.058 309 E HA -0.092 4.259 4.350 0.000 0.000 0.194 309 E C 0.116 176.711 176.600 -0.009 0.000 0.997 309 E CA 0.761 57.168 56.400 0.012 0.000 0.801 309 E CB 0.308 30.010 29.700 0.003 0.000 0.746 309 E HN 0.157 nan 8.360 nan 0.000 0.450 310 S N -2.007 113.677 115.700 -0.027 0.000 2.627 310 S HA 0.260 4.730 4.470 0.000 0.000 0.283 310 S C 0.153 174.701 174.600 -0.086 0.000 1.127 310 S CA -0.180 57.979 58.200 -0.067 0.000 0.863 310 S CB 1.733 64.864 63.200 -0.114 0.000 1.121 310 S HN 0.179 nan 8.310 nan 0.000 0.479 311 S N 1.227 116.860 115.700 -0.110 0.000 2.540 311 S HA 0.388 4.858 4.470 0.000 0.000 0.218 311 S C -0.176 174.295 174.600 -0.215 0.000 0.977 311 S CA -0.296 57.833 58.200 -0.119 0.000 0.918 311 S CB -0.089 63.070 63.200 -0.069 0.000 0.806 311 S HN 0.474 nan 8.310 nan 0.000 0.496 312 K N 1.752 121.958 120.400 -0.323 0.000 2.394 312 K HA 0.571 4.891 4.320 0.000 0.000 0.260 312 K C -1.286 175.036 176.600 -0.463 0.000 0.967 312 K CA -0.228 55.756 56.287 -0.505 0.000 0.855 312 K CB 1.630 33.423 32.500 -1.179 0.000 1.101 312 K HN 0.319 nan 8.250 nan 0.000 0.433 313 I N 2.412 122.819 120.570 -0.271 0.000 2.478 313 I HA 0.306 4.476 4.170 0.000 0.000 0.287 313 I C -0.584 175.584 176.117 0.085 0.000 1.042 313 I CA -1.182 60.012 61.300 -0.178 0.000 1.067 313 I CB 2.180 40.010 38.000 -0.284 0.000 1.233 313 I HN 0.031 nan 8.210 nan 0.000 0.431 314 V N 3.987 123.953 119.914 0.087 0.000 2.495 314 V HA 0.492 4.612 4.120 0.000 0.000 0.298 314 V C 0.201 176.463 176.094 0.280 0.000 1.031 314 V CA -0.574 61.903 62.300 0.294 0.000 0.871 314 V CB 2.081 34.106 31.823 0.337 0.000 0.988 314 V HN 0.831 nan 8.190 nan 0.000 0.432 315 T N 3.152 117.910 114.554 0.341 0.000 2.795 315 T HA 0.731 5.081 4.350 0.000 0.000 0.282 315 T C -0.641 174.278 174.700 0.363 0.000 0.980 315 T CA -0.669 61.630 62.100 0.331 0.000 1.012 315 T CB 1.142 70.148 68.868 0.230 0.000 0.936 315 T HN 0.161 nan 8.240 nan 0.000 0.457 316 L N 2.707 124.166 121.223 0.392 0.000 2.350 316 L HA 0.634 4.974 4.340 0.000 0.000 0.275 316 L C 0.961 178.039 176.870 0.348 0.000 1.099 316 L CA -0.517 54.509 54.840 0.310 0.000 0.808 316 L CB 0.334 42.545 42.059 0.254 0.000 1.149 316 L HN 1.010 nan 8.230 nan 0.000 0.442 317 A N 2.586 125.536 122.820 0.217 0.000 2.406 317 A HA 0.281 4.601 4.320 0.000 0.000 0.243 317 A C 0.357 178.040 177.584 0.166 0.000 1.082 317 A CA -0.467 51.697 52.037 0.212 0.000 0.786 317 A CB -0.157 18.892 19.000 0.082 0.000 1.029 317 A HN 0.767 nan 8.150 nan 0.000 0.495 318 N N 0.449 119.233 118.700 0.140 0.000 2.416 318 N HA 0.262 5.002 4.740 0.000 0.000 0.246 318 N C 0.147 175.670 175.510 0.022 0.000 1.260 318 N CA 0.801 53.874 53.050 0.038 0.000 0.897 318 N CB 0.633 39.113 38.487 -0.011 0.000 1.110 318 N HN 0.773 nan 8.380 nan 0.000 0.439 319 S N -1.529 114.170 115.700 -0.001 0.000 2.599 319 S HA 0.768 5.239 4.470 0.000 0.000 0.287 319 S C -0.364 174.206 174.600 -0.050 0.000 1.105 319 S CA -0.912 57.253 58.200 -0.058 0.000 0.899 319 S CB 1.807 64.923 63.200 -0.140 0.000 1.100 319 S HN 0.579 nan 8.310 nan 0.000 0.482 320 T N -0.937 113.606 114.554 -0.019 0.000 2.900 320 T HA 0.493 4.844 4.350 0.000 0.000 0.295 320 T C 0.143 174.876 174.700 0.054 0.000 1.044 320 T CA -0.958 61.154 62.100 0.021 0.000 0.995 320 T CB 1.274 70.175 68.868 0.054 0.000 1.072 320 T HN 0.443 nan 8.240 nan 0.000 0.473 321 N N 1.088 119.797 118.700 0.015 0.000 2.459 321 N HA -0.054 4.687 4.740 0.000 0.000 0.181 321 N C 1.265 176.786 175.510 0.020 0.000 1.046 321 N CA 0.758 53.812 53.050 0.007 0.000 0.904 321 N CB 0.019 38.499 38.487 -0.012 0.000 0.964 321 N HN 0.764 nan 8.380 nan 0.000 0.444 322 E N -0.037 120.188 120.200 0.042 0.000 2.274 322 E HA -0.097 4.253 4.350 0.000 0.000 0.194 322 E C 1.373 178.002 176.600 0.049 0.000 0.996 322 E CA 0.376 56.795 56.400 0.032 0.000 0.840 322 E CB -0.198 29.527 29.700 0.041 0.000 0.772 322 E HN 0.323 nan 8.360 nan 0.000 0.491 323 F N 0.784 120.720 119.950 -0.023 0.000 2.206 323 F HA -0.147 4.380 4.527 0.000 0.000 0.298 323 F C 1.759 177.541 175.800 -0.031 0.000 1.090 323 F CA 0.845 58.839 58.000 -0.010 0.000 1.323 323 F CB -0.150 38.854 39.000 0.007 0.000 1.028 323 F HN -0.179 nan 8.300 nan 0.000 0.492 324 V N 0.840 120.653 119.914 -0.170 0.000 2.237 324 V HA -0.261 3.859 4.120 0.000 0.000 0.245 324 V C 2.479 178.418 176.094 -0.257 0.000 1.046 324 V CA 2.151 64.299 62.300 -0.254 0.000 1.007 324 V CB -0.871 30.895 31.823 -0.095 0.000 0.638 324 V HN 0.227 nan 8.190 nan 0.000 0.445 325 E N 0.139 120.246 120.200 -0.155 0.000 2.114 325 E HA -0.247 4.103 4.350 0.000 0.000 0.199 325 E C 2.107 178.608 176.600 -0.164 0.000 1.008 325 E CA 1.735 58.058 56.400 -0.129 0.000 0.810 325 E CB -0.463 29.189 29.700 -0.080 0.000 0.739 325 E HN 0.618 nan 8.360 nan 0.000 0.456 326 I N 0.452 120.902 120.570 -0.201 0.000 2.361 326 I HA -0.214 3.956 4.170 0.000 0.000 0.251 326 I C 2.332 178.287 176.117 -0.270 0.000 1.133 326 I CA 0.644 61.822 61.300 -0.204 0.000 1.413 326 I CB -0.188 37.703 38.000 -0.181 0.000 1.073 326 I HN -0.052 nan 8.210 nan 0.000 0.424 327 V N 0.584 120.256 119.914 -0.403 0.000 2.407 327 V HA -0.145 3.975 4.120 0.000 0.000 0.245 327 V C 2.565 178.506 176.094 -0.256 0.000 1.041 327 V CA 1.385 63.458 62.300 -0.379 0.000 1.040 327 V CB -0.664 30.861 31.823 -0.497 0.000 0.671 327 V HN 0.337 nan 8.190 nan 0.000 0.455 328 R N 0.829 121.194 120.500 -0.225 0.000 2.096 328 R HA -0.077 4.263 4.340 0.000 0.000 0.235 328 R C 1.836 178.049 176.300 -0.145 0.000 1.127 328 R CA 1.575 57.571 56.100 -0.173 0.000 0.968 328 R CB -0.965 29.248 30.300 -0.144 0.000 0.861 328 R HN 0.675 nan 8.270 nan 0.000 0.440 329 N N 0.339 118.957 118.700 -0.137 0.000 2.395 329 N HA 0.069 4.809 4.740 0.000 0.000 0.175 329 N C 0.304 175.752 175.510 -0.103 0.000 1.029 329 N CA 0.109 53.095 53.050 -0.108 0.000 0.897 329 N CB 0.083 38.515 38.487 -0.091 0.000 0.991 329 N HN 0.059 nan 8.380 nan 0.000 0.441 330 A N 1.685 124.434 122.820 -0.119 0.000 2.584 330 A HA -0.095 4.226 4.320 0.000 0.000 0.239 330 A C 1.070 178.599 177.584 -0.092 0.000 1.043 330 A CA 0.265 52.240 52.037 -0.103 0.000 0.756 330 A CB 0.338 19.267 19.000 -0.119 0.000 0.963 330 A HN 0.175 nan 8.150 nan 0.000 0.511 331 E N 1.631 121.787 120.200 -0.073 0.000 2.005 331 E HA -0.085 4.265 4.350 0.000 0.000 0.191 331 E C 0.894 177.455 176.600 -0.066 0.000 0.987 331 E CA 1.437 57.798 56.400 -0.064 0.000 0.814 331 E CB -0.214 29.456 29.700 -0.050 0.000 0.772 331 E HN 0.955 nan 8.360 nan 0.000 0.453 332 N N -0.478 118.187 118.700 -0.057 0.000 3.184 332 N HA 0.084 4.825 4.740 0.000 0.000 0.353 332 N C 1.105 176.581 175.510 -0.057 0.000 1.441 332 N CA -0.357 52.661 53.050 -0.054 0.000 0.723 332 N CB 0.384 38.848 38.487 -0.039 0.000 1.547 332 N HN -0.127 nan 8.380 nan 0.000 0.624 333 L N 0.305 121.500 121.223 -0.047 0.000 2.131 333 L HA 0.078 4.419 4.340 0.000 0.000 0.206 333 L C 1.571 178.419 176.870 -0.036 0.000 1.087 333 L CA 1.432 56.244 54.840 -0.047 0.000 0.767 333 L CB -0.906 41.131 42.059 -0.036 0.000 0.917 333 L HN 0.514 nan 8.230 nan 0.000 0.441 334 D N -0.073 120.311 120.400 -0.025 0.000 2.144 334 D HA -0.151 4.489 4.640 0.000 0.000 0.200 334 D C 2.016 178.307 176.300 -0.016 0.000 0.978 334 D CA 1.060 55.051 54.000 -0.015 0.000 0.833 334 D CB -0.073 40.721 40.800 -0.011 0.000 0.961 334 D HN 0.417 nan 8.370 nan 0.000 0.470 335 E N -0.176 120.009 120.200 -0.026 0.000 2.285 335 E HA -0.069 4.281 4.350 0.000 0.000 0.194 335 E C 1.792 178.373 176.600 -0.032 0.000 0.997 335 E CA 0.025 56.409 56.400 -0.027 0.000 0.845 335 E CB 0.057 29.736 29.700 -0.035 0.000 0.782 335 E HN 0.175 nan 8.360 nan 0.000 0.491 336 L N 1.803 123.001 121.223 -0.043 0.000 2.046 336 L HA -0.180 4.160 4.340 0.000 0.000 0.208 336 L C 1.240 178.103 176.870 -0.013 0.000 1.077 336 L CA 1.992 56.801 54.840 -0.052 0.000 0.747 336 L CB -0.310 41.703 42.059 -0.077 0.000 0.896 336 L HN -0.079 nan 8.230 nan 0.000 0.432 337 D N -0.812 119.589 120.400 0.002 0.000 2.088 337 D HA -0.182 4.458 4.640 0.000 0.000 0.191 337 D C 2.261 178.581 176.300 0.033 0.000 0.992 337 D CA 1.759 55.780 54.000 0.036 0.000 0.831 337 D CB -0.407 40.413 40.800 0.033 0.000 0.973 337 D HN 0.285 nan 8.370 nan 0.000 0.447 338 S N 0.100 115.809 115.700 0.015 0.000 2.401 338 S HA -0.289 4.181 4.470 0.000 0.000 0.236 338 S C 2.040 176.648 174.600 0.013 0.000 1.058 338 S CA 1.438 59.644 58.200 0.011 0.000 1.151 338 S CB -0.438 62.763 63.200 0.000 0.000 1.049 338 S HN 0.277 nan 8.310 nan 0.000 0.432 339 M N 0.445 120.047 119.600 0.003 0.000 2.202 339 M HA -0.094 4.386 4.480 0.000 0.000 0.262 339 M C 2.014 178.330 176.300 0.027 0.000 1.063 339 M CA 1.268 56.569 55.300 0.002 0.000 1.097 339 M CB -0.586 32.000 32.600 -0.023 0.000 1.382 339 M HN 0.278 nan 8.290 nan 0.000 0.413 340 L N -0.591 120.662 121.223 0.050 0.000 2.072 340 L HA -0.115 4.225 4.340 0.000 0.000 0.205 340 L C 1.060 177.978 176.870 0.080 0.000 1.079 340 L CA 0.696 55.598 54.840 0.103 0.000 0.752 340 L CB -0.402 41.758 42.059 0.168 0.000 0.906 340 L HN 0.113 nan 8.230 nan 0.000 0.436 341 E N 1.104 121.337 120.200 0.055 0.000 2.888 341 E HA 0.077 4.427 4.350 0.000 0.000 0.271 341 E C -0.456 176.161 176.600 0.028 0.000 1.527 341 E CA 0.264 56.684 56.400 0.034 0.000 1.700 341 E CB -0.133 29.583 29.700 0.027 0.000 1.410 341 E HN 0.264 nan 8.360 nan 0.000 0.445 350 S N -0.093 115.632 115.700 0.041 0.000 3.089 350 S HA -0.057 4.413 4.470 0.000 0.000 0.857 350 S C -0.734 173.908 174.600 0.071 0.000 1.012 350 S CA 0.033 58.262 58.200 0.048 0.000 1.286 350 S CB -0.508 62.716 63.200 0.040 0.000 0.913 350 S HN 1.029 nan 8.310 nan 0.000 0.247 351 V N 6.394 126.366 119.914 0.096 0.000 2.394 351 V HA 0.799 4.919 4.120 0.000 0.000 0.282 351 V C 0.918 177.116 176.094 0.173 0.000 1.031 351 V CA 0.333 62.723 62.300 0.150 0.000 0.881 351 V CB 1.343 33.282 31.823 0.192 0.000 0.982 351 V HN 1.158 nan 8.190 nan 0.000 0.451 352 T N 0.318 114.915 114.554 0.071 0.000 2.831 352 T HA 0.215 4.565 4.350 0.000 0.000 0.287 352 T C 1.304 175.745 174.700 -0.431 0.000 1.070 352 T CA -0.001 61.958 62.100 -0.235 0.000 1.010 352 T CB 1.329 70.118 68.868 -0.132 0.000 1.264 352 T HN 0.799 nan 8.240 nan 0.000 0.532 353 C N -1.657 117.043 119.300 -1.001 0.000 2.422 353 C HA 0.134 4.594 4.460 0.000 0.000 0.286 353 C C 1.768 176.522 174.990 -0.393 0.000 1.412 353 C CA -0.194 58.356 59.018 -0.781 0.000 1.786 353 C CB -2.125 25.059 27.740 -0.926 0.000 1.835 353 C HN 0.809 nan 8.230 nan 0.000 0.533 354 W N 1.280 122.509 121.300 -0.118 0.000 3.278 354 W HA 0.229 4.890 4.660 0.001 0.000 0.308 354 W C 2.160 178.684 176.519 0.008 0.000 1.253 354 W CA 0.054 57.385 57.345 -0.023 0.000 1.759 354 W CB -0.118 29.320 29.460 -0.036 0.000 1.093 354 W HN 0.149 nan 8.180 nan 0.000 0.648 355 S N 0.532 116.345 115.700 0.188 0.000 2.562 355 S HA -0.027 4.443 4.470 0.000 0.000 0.221 355 S C 0.647 175.330 174.600 0.137 0.000 0.975 355 S CA 0.443 58.736 58.200 0.156 0.000 0.918 355 S CB -0.258 63.025 63.200 0.140 0.000 0.772 355 S HN 0.245 nan 8.310 nan 0.000 0.531 356 Q N -0.022 119.864 119.800 0.143 0.000 2.575 356 Q HA 0.407 4.747 4.340 0.000 0.000 0.290 356 Q C -3.608 172.465 176.000 0.122 0.000 0.963 356 Q CA -2.285 53.578 55.803 0.100 0.000 0.783 356 Q CB 0.737 29.540 28.738 0.109 0.000 1.467 356 Q HN -0.081 nan 8.270 nan 0.000 0.402 357 P HA 0.404 nan 4.420 nan 0.000 0.278 357 P C -0.688 176.718 177.300 0.176 0.000 1.238 357 P CA -0.292 62.893 63.100 0.142 0.000 0.794 357 P CB 0.995 32.747 31.700 0.086 0.000 0.955 358 L N 2.786 124.146 121.223 0.229 0.000 2.386 358 L HA 0.466 4.807 4.340 0.000 0.000 0.271 358 L C -0.334 176.681 176.870 0.242 0.000 0.993 358 L CA -0.988 53.959 54.840 0.178 0.000 0.819 358 L CB 1.914 44.069 42.059 0.159 0.000 1.294 358 L HN 0.289 nan 8.230 nan 0.000 0.414 359 F N 3.619 123.541 119.950 -0.046 0.000 2.361 359 F HA 0.531 5.058 4.527 0.000 0.000 0.364 359 F C -1.087 174.626 175.800 -0.145 0.000 1.117 359 F CA -1.147 56.872 58.000 0.032 0.000 1.071 359 F CB 0.477 39.569 39.000 0.154 0.000 1.188 359 F HN 0.080 nan 8.300 nan 0.000 0.464 360 F N 5.666 125.402 119.950 -0.357 0.000 2.404 360 F HA 0.477 5.005 4.527 0.000 0.000 0.354 360 F C -0.217 175.136 175.800 -0.745 0.000 1.122 360 F CA -0.987 56.696 58.000 -0.529 0.000 1.080 360 F CB 1.445 40.136 39.000 -0.515 0.000 1.131 360 F HN 0.058 nan 8.300 nan 0.000 0.471 361 V N 3.869 123.494 119.914 -0.481 0.000 2.364 361 V HA 0.122 4.242 4.120 0.000 0.000 0.272 361 V C 0.204 176.189 176.094 -0.181 0.000 1.036 361 V CA -0.864 61.230 62.300 -0.343 0.000 0.880 361 V CB 1.108 32.827 31.823 -0.173 0.000 0.991 361 V HN 0.778 nan 8.190 nan 0.000 0.460 362 N N 5.156 123.727 118.700 -0.214 0.000 2.605 362 N HA 0.170 4.910 4.740 0.000 0.000 0.258 362 N C 1.046 176.627 175.510 0.117 0.000 1.156 362 N CA -0.483 52.532 53.050 -0.058 0.000 1.008 362 N CB 0.455 38.862 38.487 -0.133 0.000 1.354 362 N HN 0.702 nan 8.380 nan 0.000 0.509 363 L N 1.845 123.191 121.223 0.205 0.000 2.349 363 L HA -0.176 4.165 4.340 0.000 0.000 0.220 363 L C 2.514 179.483 176.870 0.164 0.000 1.130 363 L CA 0.545 55.457 54.840 0.120 0.000 0.791 363 L CB -0.445 41.734 42.059 0.201 0.000 0.918 363 L HN 0.551 nan 8.230 nan 0.000 0.444 364 S N 0.206 116.094 115.700 0.314 0.000 2.356 364 S HA -0.255 4.216 4.470 0.000 0.000 0.223 364 S C 2.122 176.798 174.600 0.126 0.000 1.032 364 S CA 1.697 60.045 58.200 0.247 0.000 1.005 364 S CB -0.043 63.374 63.200 0.361 0.000 0.867 364 S HN 0.384 nan 8.310 nan 0.000 0.449 365 K N 0.291 120.768 120.400 0.129 0.000 2.097 365 K HA -0.075 4.246 4.320 0.000 0.000 0.206 365 K C 2.180 178.798 176.600 0.030 0.000 1.049 365 K CA 1.732 58.057 56.287 0.064 0.000 0.933 365 K CB -0.274 32.260 32.500 0.057 0.000 0.717 365 K HN 0.570 nan 8.250 nan 0.000 0.442 366 S N -1.050 114.652 115.700 0.003 0.000 2.439 366 S HA -0.048 4.422 4.470 0.000 0.000 0.224 366 S C 1.694 176.279 174.600 -0.024 0.000 1.029 366 S CA 0.926 59.111 58.200 -0.024 0.000 0.946 366 S CB 0.261 63.402 63.200 -0.098 0.000 0.797 366 S HN 0.451 nan 8.310 nan 0.000 0.504 367 T N -3.584 110.956 114.554 -0.024 0.000 3.043 367 T HA 0.543 4.893 4.350 0.000 0.000 0.272 367 T C 1.412 176.126 174.700 0.024 0.000 0.990 367 T CA 0.536 62.637 62.100 0.002 0.000 0.897 367 T CB 0.211 69.076 68.868 -0.004 0.000 1.111 367 T HN 1.107 nan 8.240 nan 0.000 0.529 368 G N 1.113 109.934 108.800 0.035 0.000 2.148 368 G HA2 -0.212 3.748 3.960 0.000 0.000 0.254 368 G HA3 -0.212 3.748 3.960 0.000 0.000 0.254 368 G C -0.036 174.895 174.900 0.051 0.000 0.981 368 G CA 0.122 45.240 45.100 0.031 0.000 0.670 368 G HN 0.792 nan 8.290 nan 0.000 0.528 369 V N 0.392 120.365 119.914 0.098 0.000 2.483 369 V HA 0.733 4.853 4.120 0.000 0.000 0.295 369 V C 0.936 177.186 176.094 0.260 0.000 1.035 369 V CA -0.205 62.183 62.300 0.146 0.000 0.896 369 V CB 1.772 33.677 31.823 0.137 0.000 0.986 369 V HN 1.038 nan 8.190 nan 0.000 0.447 370 A N 3.829 126.809 122.820 0.268 0.000 3.051 370 A HA 0.574 4.895 4.320 0.000 0.000 0.257 370 A C 0.472 178.409 177.584 0.589 0.000 1.785 370 A CA 0.141 52.424 52.037 0.411 0.000 1.420 370 A CB -0.643 18.514 19.000 0.261 0.000 1.063 370 A HN 0.729 nan 8.150 nan 0.000 0.630 371 S N -0.242 115.803 115.700 0.575 0.000 2.570 371 S HA 0.763 5.234 4.470 0.000 0.000 0.270 371 S C -1.288 173.649 174.600 0.561 0.000 1.149 371 S CA -0.522 57.962 58.200 0.473 0.000 0.837 371 S CB 1.036 64.509 63.200 0.454 0.000 1.124 371 S HN 0.297 nan 8.310 nan 0.000 0.465 372 F N 1.920 122.055 119.950 0.308 0.000 2.482 372 F HA 0.547 5.074 4.527 0.000 0.000 0.331 372 F C 0.102 176.002 175.800 0.167 0.000 1.115 372 F CA -1.542 56.595 58.000 0.228 0.000 0.955 372 F CB 1.550 40.733 39.000 0.305 0.000 1.136 372 F HN 0.425 nan 8.300 nan 0.000 0.452 373 M N 6.126 125.874 119.600 0.246 0.000 2.047 373 M HA 0.402 4.882 4.480 0.000 0.000 0.342 373 M C -1.267 175.009 176.300 -0.040 0.000 1.058 373 M CA -0.144 55.205 55.300 0.082 0.000 0.991 373 M CB 0.775 33.433 32.600 0.097 0.000 1.474 373 M HN 0.660 nan 8.290 nan 0.000 0.419 374 M N 5.001 124.546 119.600 -0.092 0.000 2.209 374 M HA 0.412 4.892 4.480 0.000 0.000 0.355 374 M C -1.906 174.279 176.300 -0.192 0.000 1.171 374 M CA -0.748 54.333 55.300 -0.366 0.000 1.069 374 M CB 1.067 33.325 32.600 -0.570 0.000 1.622 374 M HN 0.669 nan 8.290 nan 0.000 0.459 375 L N 6.300 127.460 121.223 -0.104 0.000 2.322 375 L HA 0.640 4.981 4.340 0.000 0.000 0.279 375 L C -0.121 176.820 176.870 0.119 0.000 1.036 375 L CA -0.078 54.842 54.840 0.134 0.000 0.807 375 L CB 1.827 44.137 42.059 0.419 0.000 1.226 375 L HN 0.807 nan 8.230 nan 0.000 0.433 376 M N 1.507 121.193 119.600 0.143 0.000 2.667 376 M HA 0.745 5.225 4.480 0.000 0.000 0.286 376 M C -1.335 175.046 176.300 0.134 0.000 1.270 376 M CA -0.834 54.551 55.300 0.141 0.000 0.826 376 M CB 2.413 35.099 32.600 0.145 0.000 1.743 376 M HN 0.508 nan 8.290 nan 0.000 0.460 377 Q N 1.538 121.404 119.800 0.111 0.000 2.496 377 Q HA 0.826 5.166 4.340 0.000 0.000 0.286 377 Q C -1.393 174.633 176.000 0.043 0.000 1.103 377 Q CA -0.770 55.080 55.803 0.077 0.000 0.813 377 Q CB 1.852 30.637 28.738 0.078 0.000 1.444 377 Q HN 0.963 nan 8.270 nan 0.000 0.443 378 A N 1.778 124.609 122.820 0.019 0.000 2.407 378 A HA 0.402 4.723 4.320 0.000 0.000 0.248 378 A C -1.615 175.973 177.584 0.007 0.000 1.082 378 A CA -0.891 51.142 52.037 -0.007 0.000 0.785 378 A CB -0.134 18.871 19.000 0.009 0.000 1.020 378 A HN 0.734 nan 8.150 nan 0.000 0.489 379 P HA -0.064 nan 4.420 nan 0.000 0.236 379 P C 1.333 178.484 177.300 -0.249 0.000 1.177 379 P CA 0.158 63.193 63.100 -0.107 0.000 0.773 379 P CB 0.164 31.844 31.700 -0.033 0.000 0.878 380 L N 0.614 121.795 121.223 -0.071 0.000 2.083 380 L HA -0.096 4.244 4.340 0.000 0.000 0.209 380 L C 1.757 178.589 176.870 -0.063 0.000 1.083 380 L CA 2.049 56.875 54.840 -0.023 0.000 0.752 380 L CB -1.653 40.466 42.059 0.100 0.000 0.899 380 L HN -0.005 nan 8.230 nan 0.000 0.433 381 T N 0.894 115.424 114.554 -0.040 0.000 2.607 381 T HA -0.220 4.130 4.350 0.000 0.000 0.267 381 T C 1.638 176.316 174.700 -0.036 0.000 1.049 381 T CA 1.992 64.090 62.100 -0.003 0.000 1.162 381 T CB -0.411 68.476 68.868 0.032 0.000 0.863 381 T HN 0.548 nan 8.240 nan 0.000 0.424 382 N N 0.700 119.340 118.700 -0.100 0.000 2.094 382 N HA -0.181 4.559 4.740 0.000 0.000 0.191 382 N C 1.728 177.230 175.510 -0.014 0.000 1.023 382 N CA 1.452 54.458 53.050 -0.074 0.000 0.857 382 N CB -0.466 37.953 38.487 -0.114 0.000 1.013 382 N HN 0.631 nan 8.380 nan 0.000 0.426 383 H N 0.518 119.573 119.070 -0.025 0.000 2.357 383 H HA 0.044 4.601 4.556 0.000 0.000 0.301 383 H C 1.965 177.225 175.328 -0.113 0.000 1.082 383 H CA 0.459 56.467 56.048 -0.068 0.000 1.342 383 H CB 0.254 29.966 29.762 -0.084 0.000 1.389 383 H HN 0.136 nan 8.280 nan 0.000 0.511 384 I N 1.116 121.680 120.570 -0.009 0.000 2.500 384 I HA -0.137 4.033 4.170 0.000 0.000 0.252 384 I C 1.846 177.949 176.117 -0.023 0.000 1.142 384 I CA 1.162 62.423 61.300 -0.064 0.000 1.451 384 I CB -0.706 37.283 38.000 -0.019 0.000 1.093 384 I HN 0.372 nan 8.210 nan 0.000 0.430 385 E N 0.429 120.622 120.200 -0.011 0.000 2.208 385 E HA -0.108 4.242 4.350 0.000 0.000 0.193 385 E C 2.241 178.826 176.600 -0.026 0.000 0.988 385 E CA 0.965 57.349 56.400 -0.026 0.000 0.828 385 E CB 0.041 29.728 29.700 -0.022 0.000 0.763 385 E HN 0.320 nan 8.360 nan 0.000 0.478 386 S N 1.283 116.979 115.700 -0.006 0.000 2.382 386 S HA -0.110 4.360 4.470 0.000 0.000 0.228 386 S C 1.869 176.459 174.600 -0.017 0.000 1.027 386 S CA 0.977 59.175 58.200 -0.003 0.000 0.991 386 S CB -0.186 63.029 63.200 0.025 0.000 0.823 386 S HN 0.385 nan 8.310 nan 0.000 0.469 387 I N 0.636 121.191 120.570 -0.025 0.000 3.874 387 I HA 0.304 4.475 4.170 0.000 0.000 0.331 387 I C 1.535 177.638 176.117 -0.023 0.000 1.489 387 I CA -0.395 60.889 61.300 -0.026 0.000 1.187 387 I CB -0.063 37.916 38.000 -0.036 0.000 1.150 387 I HN 0.076 nan 8.210 nan 0.000 0.412 388 R N 0.625 121.105 120.500 -0.033 0.000 2.200 388 R HA -0.079 4.262 4.340 0.000 0.000 0.234 388 R C 0.755 177.030 176.300 -0.042 0.000 1.127 388 R CA 1.210 57.284 56.100 -0.044 0.000 0.989 388 R CB -0.358 29.901 30.300 -0.068 0.000 0.869 388 R HN 0.462 nan 8.270 nan 0.000 0.459 389 E N 0.838 121.020 120.200 -0.031 0.000 2.447 389 E HA -0.021 4.329 4.350 0.000 0.000 0.195 389 E C -0.125 176.468 176.600 -0.011 0.000 1.028 389 E CA 0.218 56.602 56.400 -0.026 0.000 0.876 389 E CB 0.055 29.741 29.700 -0.024 0.000 0.885 389 E HN 0.288 nan 8.360 nan 0.000 0.500 390 D N 1.555 121.955 120.400 -0.001 0.000 2.558 390 D HA 0.033 4.673 4.640 0.000 0.000 0.221 390 D C 0.737 177.063 176.300 0.043 0.000 1.143 390 D CA -0.119 53.892 54.000 0.018 0.000 1.010 390 D CB 0.386 41.197 40.800 0.019 0.000 1.068 390 D HN -0.278 nan 8.370 nan 0.000 0.511 391 K N 1.191 121.613 120.400 0.035 0.000 2.059 391 K HA -0.175 4.146 4.320 0.000 0.000 0.212 391 K C 1.782 178.459 176.600 0.129 0.000 1.050 391 K CA 1.167 57.489 56.287 0.058 0.000 0.927 391 K CB 0.058 32.565 32.500 0.013 0.000 0.714 391 K HN 0.379 nan 8.250 nan 0.000 0.447 392 E N 0.016 120.281 120.200 0.107 0.000 2.038 392 E HA -0.238 4.113 4.350 0.000 0.000 0.195 392 E C 2.189 178.913 176.600 0.206 0.000 1.000 392 E CA 1.187 57.682 56.400 0.158 0.000 0.803 392 E CB -0.245 29.515 29.700 0.100 0.000 0.750 392 E HN 0.148 nan 8.360 nan 0.000 0.448 393 R N 1.170 121.754 120.500 0.140 0.000 2.083 393 R HA -0.098 4.242 4.340 0.000 0.000 0.237 393 R C 2.485 178.888 176.300 0.171 0.000 1.137 393 R CA 1.119 57.294 56.100 0.124 0.000 0.951 393 R CB -0.673 29.667 30.300 0.067 0.000 0.851 393 R HN 0.153 nan 8.270 nan 0.000 0.434 394 L N -0.684 120.657 121.223 0.197 0.000 2.017 394 L HA -0.116 4.225 4.340 0.000 0.000 0.208 394 L C 2.302 179.456 176.870 0.474 0.000 1.073 394 L CA 1.514 56.539 54.840 0.309 0.000 0.745 394 L CB -0.542 41.672 42.059 0.258 0.000 0.894 394 L HN 0.222 nan 8.230 nan 0.000 0.432 395 F N 0.040 120.156 119.950 0.275 0.000 2.134 395 F HA -0.253 4.274 4.527 0.000 0.000 0.299 395 F C 2.824 178.765 175.800 0.235 0.000 1.097 395 F CA 1.614 59.784 58.000 0.283 0.000 1.264 395 F CB -0.155 38.943 39.000 0.164 0.000 1.001 395 F HN 0.009 nan 8.300 nan 0.000 0.479 396 S N -0.207 115.548 115.700 0.091 0.000 2.382 396 S HA -0.256 4.214 4.470 0.000 0.000 0.228 396 S C 2.056 176.609 174.600 -0.079 0.000 1.027 396 S CA 1.391 59.564 58.200 -0.044 0.000 0.991 396 S CB -0.993 62.263 63.200 0.094 0.000 0.823 396 S HN 0.531 nan 8.310 nan 0.000 0.469 397 F N 0.763 120.621 119.950 -0.154 0.000 2.146 397 F HA 0.137 4.664 4.527 0.001 0.000 0.298 397 F C 1.369 176.914 175.800 -0.426 0.000 1.096 397 F CA 1.400 59.215 58.000 -0.307 0.000 1.275 397 F CB -0.220 38.526 39.000 -0.424 0.000 1.008 397 F HN 0.281 nan 8.300 nan 0.000 0.480 398 F N -0.218 119.767 119.950 0.058 0.000 2.776 398 F HA 0.071 4.599 4.527 0.000 0.000 0.300 398 F C 2.343 177.969 175.800 -0.289 0.000 1.116 398 F CA 0.277 58.241 58.000 -0.060 0.000 1.375 398 F CB -0.594 38.557 39.000 0.252 0.000 1.109 398 F HN -0.010 nan 8.300 nan 0.000 0.585 399 Q N 1.211 120.837 119.800 -0.290 0.000 2.062 399 Q HA -0.229 4.111 4.340 0.000 0.000 0.209 399 Q C -0.707 175.149 176.000 -0.241 0.000 0.996 399 Q CA 2.322 57.862 55.803 -0.438 0.000 0.859 399 Q CB -1.080 27.268 28.738 -0.650 0.000 0.920 399 Q HN 0.206 nan 8.270 nan 0.000 0.415 400 P HA -0.177 nan 4.420 nan 0.000 0.215 400 P C 1.446 178.683 177.300 -0.105 0.000 1.157 400 P CA 2.183 65.240 63.100 -0.071 0.000 0.874 400 P CB -0.253 31.452 31.700 0.009 0.000 0.790 401 V N -3.602 116.059 119.914 -0.422 0.000 2.667 401 V HA -0.140 3.980 4.120 0.000 0.000 0.252 401 V C 2.174 178.044 176.094 -0.373 0.000 1.065 401 V CA 1.423 63.388 62.300 -0.558 0.000 1.083 401 V CB -1.723 29.671 31.823 -0.714 0.000 0.692 401 V HN 0.013 nan 8.190 nan 0.000 0.468 402 L N 0.498 121.536 121.223 -0.309 0.000 2.056 402 L HA -0.059 4.281 4.340 0.000 0.000 0.207 402 L C 2.757 179.516 176.870 -0.185 0.000 1.078 402 L CA 1.754 56.411 54.840 -0.305 0.000 0.749 402 L CB -0.781 41.139 42.059 -0.230 0.000 0.901 402 L HN 0.345 nan 8.230 nan 0.000 0.433 403 N N 0.229 118.867 118.700 -0.104 0.000 2.142 403 N HA -0.193 4.547 4.740 0.000 0.000 0.186 403 N C 1.796 177.292 175.510 -0.023 0.000 1.023 403 N CA 1.047 54.074 53.050 -0.038 0.000 0.852 403 N CB -0.190 38.300 38.487 0.004 0.000 0.998 403 N HN 0.097 nan 8.380 nan 0.000 0.424 404 K N 1.277 121.688 120.400 0.018 0.000 2.097 404 K HA 0.082 4.402 4.320 0.000 0.000 0.206 404 K C 1.901 178.490 176.600 -0.018 0.000 1.049 404 K CA 0.682 57.017 56.287 0.080 0.000 0.933 404 K CB -0.334 32.356 32.500 0.317 0.000 0.717 404 K HN 0.160 nan 8.250 nan 0.000 0.442 405 I N -0.108 120.378 120.570 -0.140 0.000 2.163 405 I HA -0.271 3.899 4.170 0.000 0.000 0.240 405 I C 2.080 178.097 176.117 -0.165 0.000 1.081 405 I CA 0.990 62.150 61.300 -0.235 0.000 1.353 405 I CB -0.223 37.489 38.000 -0.479 0.000 1.054 405 I HN 0.159 nan 8.210 nan 0.000 0.407 406 M N 0.386 119.898 119.600 -0.147 0.000 2.149 406 M HA -0.253 4.227 4.480 0.000 0.000 0.261 406 M C 2.253 178.539 176.300 -0.024 0.000 1.064 406 M CA 1.684 56.932 55.300 -0.086 0.000 1.102 406 M CB -1.236 31.312 32.600 -0.087 0.000 1.369 406 M HN 0.210 nan 8.290 nan 0.000 0.408 407 K N -0.011 120.377 120.400 -0.021 0.000 1.991 407 K HA -0.177 4.143 4.320 0.000 0.000 0.212 407 K C 2.043 178.643 176.600 0.000 0.000 1.049 407 K CA 1.995 58.282 56.287 0.001 0.000 0.932 407 K CB -0.129 32.376 32.500 0.008 0.000 0.717 407 K HN 0.344 nan 8.250 nan 0.000 0.441 408 C N 0.925 120.218 119.300 -0.012 0.000 2.409 408 C HA -0.057 4.403 4.460 0.000 0.000 0.284 408 C C 1.719 176.705 174.990 -0.007 0.000 1.354 408 C CA 0.432 59.443 59.018 -0.012 0.000 1.787 408 C CB -0.816 26.909 27.740 -0.024 0.000 1.900 408 C HN 0.432 nan 8.230 nan 0.000 0.520 409 L N 0.629 121.850 121.223 -0.003 0.000 2.912 409 L HA 0.183 4.523 4.340 0.000 0.000 0.240 409 L C -0.254 176.662 176.870 0.076 0.000 1.262 409 L CA 0.034 54.898 54.840 0.040 0.000 1.058 409 L CB -0.613 41.479 42.059 0.055 0.000 1.383 409 L HN 0.245 nan 8.230 nan 0.000 0.512 410 D N 0.478 120.905 120.400 0.045 0.000 2.686 410 D HA -0.187 4.453 4.640 0.000 0.000 0.235 410 D C 0.340 176.672 176.300 0.053 0.000 1.160 410 D CA 1.001 55.026 54.000 0.042 0.000 0.645 410 D CB -0.638 40.183 40.800 0.036 0.000 1.039 410 D HN 0.449 nan 8.370 nan 0.000 0.423 411 S N -1.326 114.407 115.700 0.055 0.000 2.851 411 S HA 0.572 5.042 4.470 0.000 0.000 0.313 411 S C -0.605 174.017 174.600 0.037 0.000 1.163 411 S CA -0.604 57.632 58.200 0.059 0.000 0.850 411 S CB 2.279 65.544 63.200 0.109 0.000 1.245 411 S HN 0.025 nan 8.310 nan 0.000 0.558 412 E N 0.881 121.103 120.200 0.037 0.000 2.259 412 E HA 0.479 4.830 4.350 0.000 0.000 0.257 412 E C -1.236 175.384 176.600 0.032 0.000 0.998 412 E CA -0.501 55.919 56.400 0.033 0.000 0.866 412 E CB 0.605 30.327 29.700 0.037 0.000 1.220 412 E HN 0.523 nan 8.360 nan 0.000 0.415 413 D N -0.222 120.203 120.400 0.042 0.000 2.419 413 D HA 0.057 4.698 4.640 0.000 0.000 0.236 413 D C -0.469 175.885 176.300 0.090 0.000 1.165 413 D CA 0.051 54.085 54.000 0.057 0.000 0.882 413 D CB 0.556 41.396 40.800 0.066 0.000 1.201 413 D HN 0.007 nan 8.370 nan 0.000 0.443 414 V N 2.560 122.555 119.914 0.135 0.000 2.637 414 V HA 0.132 4.252 4.120 0.000 0.000 0.296 414 V C 0.752 177.005 176.094 0.264 0.000 1.046 414 V CA -0.208 62.231 62.300 0.232 0.000 1.066 414 V CB 0.619 32.659 31.823 0.363 0.000 0.968 414 V HN 0.314 nan 8.190 nan 0.000 0.483 415 I N 3.285 123.966 120.570 0.186 0.000 2.377 415 I HA 0.271 4.442 4.170 0.000 0.000 0.293 415 I C 0.000 176.085 176.117 -0.054 0.000 0.987 415 I CA -0.478 60.873 61.300 0.084 0.000 1.185 415 I CB 1.613 39.645 38.000 0.054 0.000 1.341 415 I HN 0.554 nan 8.210 nan 0.000 0.455 416 D N 5.637 125.883 120.400 -0.257 0.000 2.374 416 D HA 0.160 4.800 4.640 0.000 0.000 0.240 416 D C 0.629 176.761 176.300 -0.280 0.000 1.229 416 D CA 0.018 53.689 54.000 -0.548 0.000 0.895 416 D CB 1.024 41.336 40.800 -0.814 0.000 1.046 416 D HN 0.729 nan 8.370 nan 0.000 0.498 417 G N 3.394 112.062 108.800 -0.221 0.000 3.936 417 G HA2 0.062 4.022 3.960 0.000 0.000 0.296 417 G HA3 0.062 4.022 3.960 0.000 0.000 0.296 417 G C 1.208 176.004 174.900 -0.174 0.000 1.121 417 G CA -0.264 44.746 45.100 -0.149 0.000 0.899 417 G HN 0.462 nan 8.290 nan 0.000 0.542 418 M N -0.186 119.289 119.600 -0.208 0.000 2.476 418 M HA 0.131 4.611 4.480 0.000 0.000 0.262 418 M C 1.098 177.326 176.300 -0.119 0.000 1.079 418 M CA 0.763 55.954 55.300 -0.182 0.000 1.104 418 M CB 0.208 32.699 32.600 -0.181 0.000 1.409 418 M HN -0.012 nan 8.290 nan 0.000 0.467 419 R N 1.123 121.564 120.500 -0.098 0.000 2.230 419 R HA 0.309 4.649 4.340 0.000 0.000 0.337 419 R C -2.300 173.977 176.300 -0.039 0.000 1.063 419 R CA -1.571 54.494 56.100 -0.059 0.000 0.935 419 R CB 0.212 30.482 30.300 -0.051 0.000 1.121 419 R HN 0.021 nan 8.270 nan 0.000 0.486 423 N N -0.434 118.268 118.700 0.004 0.000 2.694 423 N HA 0.217 4.957 4.740 0.000 0.000 0.353 423 N C 1.012 176.527 175.510 0.008 0.000 0.626 423 N CA 0.666 53.718 53.050 0.004 0.000 1.589 423 N CB 0.964 39.454 38.487 0.005 0.000 1.286 423 N HN 0.085 nan 8.380 nan 0.000 1.715 424 I N 0.916 121.493 120.570 0.012 0.000 4.124 424 I HA -0.329 3.841 4.170 0.000 0.000 0.108 424 I C 0.427 176.552 176.117 0.013 0.000 0.470 424 I CA 1.366 62.673 61.300 0.012 0.000 1.213 424 I CB -0.917 37.088 38.000 0.010 0.000 1.074 424 I HN 0.291 nan 8.210 nan 0.000 0.185 425 A N 2.062 124.890 122.820 0.013 0.000 3.126 425 A HA 0.470 4.790 4.320 0.000 0.000 0.268 425 A C 0.465 178.060 177.584 0.019 0.000 1.605 425 A CA -0.136 51.909 52.037 0.015 0.000 1.305 425 A CB -0.478 18.531 19.000 0.014 0.000 1.160 425 A HN 0.506 nan 8.150 nan 0.000 0.609 426 N N 0.590 119.302 118.700 0.020 0.000 2.562 426 N HA 0.437 5.177 4.740 0.000 0.000 0.176 426 N C 1.013 176.535 175.510 0.020 0.000 1.694 426 N CA 0.090 53.155 53.050 0.025 0.000 1.152 426 N CB -0.545 37.960 38.487 0.030 0.000 1.865 426 N HN 0.757 nan 8.380 nan 0.000 0.301 427 A N 0.200 123.031 122.820 0.019 0.000 2.732 427 A HA -0.297 4.024 4.320 0.000 0.000 0.291 427 A C 0.923 178.509 177.584 0.004 0.000 1.440 427 A CA 2.520 54.562 52.037 0.009 0.000 0.967 427 A CB -2.186 16.818 19.000 0.006 0.000 0.946 427 A HN 0.743 nan 8.150 nan 0.000 0.580 428 N N -2.366 116.340 118.700 0.011 0.000 2.268 428 N HA 0.137 4.877 4.740 0.000 0.000 0.256 428 N C 0.095 175.616 175.510 0.017 0.000 1.090 428 N CA 0.791 53.847 53.050 0.009 0.000 0.806 428 N CB 0.528 39.022 38.487 0.012 0.000 1.644 428 N HN 0.487 nan 8.380 nan 0.000 0.544 429 K N 1.306 121.724 120.400 0.030 0.000 2.156 429 K HA 0.444 4.764 4.320 0.000 0.000 0.250 429 K C -2.619 174.019 176.600 0.063 0.000 0.955 429 K CA -2.056 54.258 56.287 0.045 0.000 0.855 429 K CB 1.640 34.170 32.500 0.051 0.000 1.101 429 K HN 0.089 nan 8.250 nan 0.000 0.434 430 P HA 0.015 nan 4.420 nan 0.000 0.267 430 P C -0.657 176.766 177.300 0.205 0.000 1.209 430 P CA -0.159 63.007 63.100 0.110 0.000 0.763 430 P CB 0.608 32.288 31.700 -0.034 0.000 0.816 431 V N 5.643 125.714 119.914 0.262 0.000 2.313 431 V HA 0.117 4.237 4.120 0.000 0.000 0.278 431 V C 0.586 176.817 176.094 0.228 0.000 1.017 431 V CA -0.866 61.554 62.300 0.200 0.000 0.823 431 V CB 1.088 32.967 31.823 0.094 0.000 1.010 431 V HN 0.443 nan 8.190 nan 0.000 0.443 432 L N 6.753 128.054 121.223 0.131 0.000 2.418 432 L HA 0.349 4.689 4.340 0.000 0.000 0.274 432 L C 1.255 177.967 176.870 -0.265 0.000 1.135 432 L CA 0.802 55.526 54.840 -0.194 0.000 0.870 432 L CB 0.350 42.311 42.059 -0.163 0.000 1.154 432 L HN 0.464 nan 8.230 nan 0.000 0.462 433 R N 3.286 123.549 120.500 -0.396 0.000 2.307 433 R HA 0.306 4.646 4.340 0.000 0.000 0.200 433 R C -0.065 175.958 176.300 -0.463 0.000 0.893 433 R CA 0.135 55.913 56.100 -0.536 0.000 1.042 433 R CB -0.292 29.331 30.300 -1.128 0.000 1.059 433 R HN 0.847 nan 8.270 nan 0.000 0.530 434 N N -0.423 118.055 118.700 -0.370 0.000 3.265 434 N HA 0.221 4.961 4.740 0.000 0.000 0.235 434 N C -1.709 173.649 175.510 -0.253 0.000 1.343 434 N CA -0.451 52.448 53.050 -0.252 0.000 0.904 434 N CB 1.457 39.831 38.487 -0.188 0.000 1.492 434 N HN -0.187 nan 8.380 nan 0.000 0.504 435 I N 2.638 123.074 120.570 -0.223 0.000 2.533 435 I HA 0.476 4.646 4.170 0.000 0.000 0.290 435 I C -0.753 175.195 176.117 -0.282 0.000 1.056 435 I CA -0.639 60.467 61.300 -0.323 0.000 1.057 435 I CB 2.019 39.863 38.000 -0.259 0.000 1.240 435 I HN 0.378 nan 8.210 nan 0.000 0.423 436 I N 6.510 126.866 120.570 -0.357 0.000 2.436 436 I HA 0.468 4.638 4.170 0.000 0.000 0.289 436 I C -0.586 175.363 176.117 -0.279 0.000 1.010 436 I CA -0.827 60.315 61.300 -0.263 0.000 1.098 436 I CB 2.003 39.859 38.000 -0.241 0.000 1.266 436 I HN 0.155 nan 8.210 nan 0.000 0.434 437 V N 4.339 124.130 119.914 -0.205 0.000 2.769 437 V HA 0.458 4.579 4.120 0.000 0.000 0.312 437 V C 0.426 176.422 176.094 -0.164 0.000 1.058 437 V CA -0.607 61.586 62.300 -0.179 0.000 0.952 437 V CB 1.960 33.703 31.823 -0.134 0.000 1.019 437 V HN 0.909 nan 8.190 nan 0.000 0.445 438 S N 1.665 117.279 115.700 -0.143 0.000 2.640 438 S HA 0.283 4.753 4.470 0.000 0.000 0.262 438 S C 0.352 174.778 174.600 -0.290 0.000 1.232 438 S CA -0.095 57.962 58.200 -0.238 0.000 0.988 438 S CB 0.631 63.786 63.200 -0.076 0.000 1.034 438 S HN 0.881 nan 8.310 nan 0.000 0.569 439 N N -1.865 116.533 118.700 -0.504 0.000 2.127 439 N HA 0.101 4.841 4.740 0.000 0.000 0.229 439 N C -0.069 175.295 175.510 -0.243 0.000 1.374 439 N CA -0.182 52.679 53.050 -0.316 0.000 0.763 439 N CB 0.170 38.477 38.487 -0.301 0.000 1.269 439 N HN 0.742 nan 8.380 nan 0.000 0.516 440 W N 1.049 122.373 121.300 0.040 0.000 2.331 440 W HA -0.152 4.508 4.660 0.000 0.000 0.291 440 W C 2.575 179.133 176.519 0.064 0.000 1.214 440 W CA 1.671 59.054 57.345 0.064 0.000 1.228 440 W CB -0.416 29.092 29.460 0.080 0.000 1.135 440 W HN 0.181 nan 8.180 nan 0.000 0.537 441 T N -1.558 113.130 114.554 0.222 0.000 3.055 441 T HA 0.006 4.357 4.350 0.000 0.000 0.265 441 T C 1.459 176.207 174.700 0.080 0.000 1.111 441 T CA 0.665 62.854 62.100 0.149 0.000 1.118 441 T CB -0.182 68.744 68.868 0.097 0.000 0.909 441 T HN 0.217 nan 8.240 nan 0.000 0.501 442 R N 0.638 121.164 120.500 0.043 0.000 2.437 442 R HA 0.258 4.598 4.340 0.000 0.000 0.257 442 R C -0.001 176.286 176.300 -0.021 0.000 0.927 442 R CA -0.217 55.882 56.100 -0.001 0.000 1.078 442 R CB 0.321 30.607 30.300 -0.024 0.000 1.161 442 R HN 0.298 nan 8.270 nan 0.000 0.529 443 D N 2.595 123.003 120.400 0.015 0.000 2.339 443 D HA 0.064 4.704 4.640 0.000 0.000 0.241 443 D C -1.440 174.851 176.300 -0.014 0.000 1.183 443 D CA -2.263 51.742 54.000 0.009 0.000 0.859 443 D CB 1.590 42.451 40.800 0.102 0.000 1.067 443 D HN -0.045 nan 8.370 nan 0.000 0.484 444 P HA -0.152 nan 4.420 nan 0.000 0.226 444 P C 0.677 177.835 177.300 -0.237 0.000 1.146 444 P CA 0.943 63.885 63.100 -0.264 0.000 0.773 444 P CB -0.057 31.380 31.700 -0.438 0.000 0.772 445 Y N -0.192 120.151 120.300 0.071 0.000 2.457 445 Y HA 0.068 4.618 4.550 0.000 0.000 0.263 445 Y C 2.278 178.250 175.900 0.120 0.000 1.164 445 Y CA 0.371 58.520 58.100 0.083 0.000 1.274 445 Y CB 0.310 38.825 38.460 0.092 0.000 1.097 445 Y HN 0.139 nan 8.280 nan 0.000 0.523 446 S N -1.127 114.735 115.700 0.270 0.000 2.882 446 S HA 0.121 4.591 4.470 0.000 0.000 0.258 446 S C 0.664 175.393 174.600 0.215 0.000 1.081 446 S CA -0.493 57.881 58.200 0.290 0.000 0.886 446 S CB 0.048 63.542 63.200 0.489 0.000 0.855 446 S HN 0.223 nan 8.310 nan 0.000 0.467 447 R N 2.294 122.892 120.500 0.164 0.000 3.109 447 R HA 0.003 4.343 4.340 0.000 0.000 0.241 447 R C 0.641 177.079 176.300 0.230 0.000 0.882 447 R CA 0.631 56.794 56.100 0.105 0.000 0.604 447 R CB -2.106 28.177 30.300 -0.029 0.000 1.040 447 R HN 1.083 nan 8.270 nan 0.000 0.480 448 G N -2.251 106.765 108.800 0.360 0.000 2.343 448 G HA2 0.218 4.178 3.960 0.000 0.000 0.562 448 G HA3 0.218 4.178 3.960 0.000 0.000 0.562 448 G C 0.044 175.156 174.900 0.353 0.000 1.269 448 G CA -0.232 45.131 45.100 0.438 0.000 1.011 448 G HN 0.361 nan 8.290 nan 0.000 0.498 449 A N -1.293 121.490 122.820 -0.062 0.000 1.938 449 A HA 0.783 5.103 4.320 0.000 0.000 0.207 449 A C 0.557 177.885 177.584 -0.428 0.000 1.292 449 A CA 2.325 54.183 52.037 -0.297 0.000 0.700 449 A CB -0.006 18.726 19.000 -0.447 0.000 0.947 449 A HN 2.307 nan 8.150 nan 0.000 0.476 450 Y N -3.704 116.005 120.300 -0.985 0.000 2.814 450 Y HA 0.553 5.103 4.550 0.000 0.000 0.348 450 Y C -0.295 174.951 175.900 -1.091 0.000 1.245 450 Y CA -1.234 56.280 58.100 -0.977 0.000 1.086 450 Y CB -0.091 38.146 38.460 -0.370 0.000 1.373 450 Y HN -0.099 nan 8.280 nan 0.000 0.451 451 S N 0.849 116.441 115.700 -0.179 0.000 2.573 451 S HA 0.473 4.944 4.470 0.000 0.000 0.297 451 S C -0.080 174.559 174.600 0.065 0.000 1.280 451 S CA 0.696 58.935 58.200 0.065 0.000 1.061 451 S CB -0.151 63.145 63.200 0.160 0.000 0.812 451 S HN 1.209 nan 8.310 nan 0.000 0.500 452 A N 2.205 125.094 122.820 0.116 0.000 2.589 452 A HA 0.589 4.909 4.320 0.000 0.000 0.296 452 A C -0.795 176.932 177.584 0.238 0.000 1.062 452 A CA -0.743 51.396 52.037 0.169 0.000 0.686 452 A CB 0.931 19.992 19.000 0.103 0.000 1.282 452 A HN 0.800 nan 8.150 nan 0.000 0.404 453 C N 1.358 120.757 119.300 0.165 0.000 2.319 453 C HA 0.759 5.220 4.460 0.000 0.000 0.335 453 C C -0.265 174.844 174.990 0.198 0.000 1.274 453 C CA -0.362 58.740 59.018 0.141 0.000 1.806 453 C CB -0.680 27.069 27.740 0.014 0.000 2.329 453 C HN 0.601 nan 8.230 nan 0.000 0.524 454 F N 3.882 123.816 119.950 -0.027 0.000 2.440 454 F HA 0.476 5.004 4.527 0.000 0.000 0.328 454 F C -1.692 174.106 175.800 -0.004 0.000 1.070 454 F CA -2.523 55.513 58.000 0.061 0.000 1.011 454 F CB 0.608 39.762 39.000 0.257 0.000 1.226 454 F HN 0.372 nan 8.300 nan 0.000 0.491 455 P HA 0.129 nan 4.420 nan 0.000 0.261 455 P C 0.480 177.840 177.300 0.100 0.000 1.183 455 P CA 0.994 64.158 63.100 0.106 0.000 0.761 455 P CB 0.559 32.326 31.700 0.112 0.000 0.785 456 G N 2.287 111.114 108.800 0.044 0.000 2.201 456 G HA2 -0.148 3.812 3.960 0.000 0.000 0.212 456 G HA3 -0.148 3.812 3.960 0.000 0.000 0.212 456 G C -0.114 174.774 174.900 -0.020 0.000 0.994 456 G CA -0.356 44.759 45.100 0.025 0.000 0.644 456 G HN 0.496 nan 8.290 nan 0.000 0.508 457 D N 0.753 121.125 120.400 -0.047 0.000 2.344 457 D HA 0.520 5.160 4.640 0.000 0.000 0.244 457 D C -0.482 175.771 176.300 -0.078 0.000 1.134 457 D CA 0.189 54.127 54.000 -0.104 0.000 0.930 457 D CB 1.240 41.949 40.800 -0.150 0.000 1.175 457 D HN 0.137 nan 8.370 nan 0.000 0.437 458 D N 0.699 121.049 120.400 -0.084 0.000 2.364 458 D HA 0.116 4.757 4.640 0.000 0.000 0.251 458 D C -1.962 174.292 176.300 -0.077 0.000 1.282 458 D CA -1.507 52.450 54.000 -0.071 0.000 0.927 458 D CB 1.553 42.318 40.800 -0.059 0.000 1.267 458 D HN -0.014 nan 8.370 nan 0.000 0.531 459 P HA -0.135 nan 4.420 nan 0.000 0.224 459 P C 1.503 178.758 177.300 -0.076 0.000 1.142 459 P CA 0.398 63.457 63.100 -0.068 0.000 0.778 459 P CB 0.623 32.292 31.700 -0.052 0.000 0.764 460 V N 1.047 120.918 119.914 -0.072 0.000 2.427 460 V HA -0.186 3.935 4.120 0.000 0.000 0.248 460 V C 2.282 178.327 176.094 -0.081 0.000 1.051 460 V CA 2.071 64.329 62.300 -0.070 0.000 1.048 460 V CB -1.102 30.687 31.823 -0.057 0.000 0.666 460 V HN 0.100 nan 8.190 nan 0.000 0.456 461 D N -0.265 120.083 120.400 -0.087 0.000 2.104 461 D HA -0.221 4.419 4.640 0.000 0.000 0.194 461 D C 2.035 178.253 176.300 -0.137 0.000 0.994 461 D CA 1.549 55.490 54.000 -0.099 0.000 0.830 461 D CB -0.240 40.503 40.800 -0.095 0.000 0.959 461 D HN 0.378 nan 8.370 nan 0.000 0.452 462 M N 0.686 120.187 119.600 -0.164 0.000 2.159 462 M HA -0.106 4.374 4.480 0.000 0.000 0.263 462 M C 1.928 178.115 176.300 -0.188 0.000 1.063 462 M CA 1.037 56.202 55.300 -0.225 0.000 1.110 462 M CB -0.318 32.146 32.600 -0.226 0.000 1.374 462 M HN -0.172 nan 8.290 nan 0.000 0.411 463 V N -0.876 118.956 119.914 -0.137 0.000 2.295 463 V HA -0.252 3.868 4.120 0.000 0.000 0.246 463 V C 2.336 178.367 176.094 -0.106 0.000 1.049 463 V CA 1.847 64.075 62.300 -0.120 0.000 1.024 463 V CB -0.904 30.865 31.823 -0.090 0.000 0.648 463 V HN 0.390 nan 8.190 nan 0.000 0.447 464 V N 0.319 120.178 119.914 -0.092 0.000 2.307 464 V HA -0.205 3.915 4.120 0.000 0.000 0.245 464 V C 2.736 178.781 176.094 -0.081 0.000 1.045 464 V CA 1.818 64.075 62.300 -0.072 0.000 1.024 464 V CB -1.313 30.474 31.823 -0.060 0.000 0.651 464 V HN 0.536 nan 8.190 nan 0.000 0.449 465 A N -0.235 122.517 122.820 -0.115 0.000 1.917 465 A HA -0.256 4.064 4.320 0.000 0.000 0.219 465 A C 2.255 179.747 177.584 -0.154 0.000 1.182 465 A CA 2.329 54.284 52.037 -0.137 0.000 0.633 465 A CB -0.465 18.419 19.000 -0.194 0.000 0.819 465 A HN 0.422 nan 8.150 nan 0.000 0.448 466 M N -0.582 118.904 119.600 -0.189 0.000 2.193 466 M HA -0.036 4.444 4.480 0.000 0.000 0.265 466 M C 2.382 178.679 176.300 -0.005 0.000 1.071 466 M CA 1.553 56.750 55.300 -0.171 0.000 1.140 466 M CB -1.480 30.970 32.600 -0.250 0.000 1.369 466 M HN 0.416 nan 8.290 nan 0.000 0.423 467 S N 1.350 117.027 115.700 -0.038 0.000 2.370 467 S HA -0.123 4.347 4.470 0.000 0.000 0.226 467 S C 1.641 176.254 174.600 0.020 0.000 1.033 467 S CA 1.279 59.473 58.200 -0.009 0.000 1.011 467 S CB -0.347 62.836 63.200 -0.029 0.000 0.852 467 S HN 0.470 nan 8.310 nan 0.000 0.457 468 N N 0.610 119.319 118.700 0.015 0.000 2.333 468 N HA 0.152 4.892 4.740 0.000 0.000 0.178 468 N C 1.119 176.668 175.510 0.066 0.000 1.018 468 N CA 0.924 53.990 53.050 0.027 0.000 0.882 468 N CB -0.245 38.246 38.487 0.007 0.000 0.984 468 N HN 0.481 nan 8.380 nan 0.000 0.434 469 G N 0.941 109.813 108.800 0.119 0.000 2.757 469 G HA2 -0.271 3.689 3.960 0.000 0.000 0.638 469 G HA3 -0.271 3.689 3.960 0.000 0.000 0.638 469 G C 0.300 175.308 174.900 0.181 0.000 1.344 469 G CA 0.228 45.469 45.100 0.236 0.000 0.855 469 G HN 0.262 nan 8.290 nan 0.000 0.537 470 Q N -0.059 119.888 119.800 0.245 0.000 2.096 470 Q HA 0.272 4.612 4.340 0.000 0.000 0.197 470 Q C 1.015 177.045 176.000 0.050 0.000 0.964 470 Q CA 2.736 58.617 55.803 0.129 0.000 0.838 470 Q CB 0.034 28.841 28.738 0.115 0.000 0.906 470 Q HN 1.071 nan 8.270 nan 0.000 0.444 471 D N -3.762 116.656 120.400 0.030 0.000 2.738 471 D HA 0.127 4.767 4.640 0.000 0.000 0.308 471 D C 0.008 176.300 176.300 -0.013 0.000 1.311 471 D CA -0.045 53.955 54.000 0.000 0.000 0.799 471 D CB 0.061 40.849 40.800 -0.019 0.000 1.332 471 D HN -0.065 nan 8.370 nan 0.000 0.441 472 S N -0.927 114.758 115.700 -0.024 0.000 2.493 472 S HA -0.168 4.303 4.470 0.000 0.000 0.243 472 S C 1.215 175.758 174.600 -0.094 0.000 0.991 472 S CA 0.714 58.907 58.200 -0.011 0.000 0.957 472 S CB -0.455 62.742 63.200 -0.005 0.000 0.756 472 S HN 0.513 nan 8.310 nan 0.000 0.521 473 R N -0.416 119.960 120.500 -0.207 0.000 2.521 473 R HA 0.367 4.707 4.340 0.000 0.000 0.289 473 R C -0.697 175.487 176.300 -0.194 0.000 0.936 473 R CA -0.132 55.734 56.100 -0.391 0.000 1.089 473 R CB 0.689 30.648 30.300 -0.569 0.000 1.348 473 R HN 0.334 nan 8.270 nan 0.000 0.536 474 I N 2.782 123.273 120.570 -0.131 0.000 2.503 474 I HA 0.294 4.464 4.170 0.000 0.000 0.277 474 I C -0.092 175.866 176.117 -0.266 0.000 1.078 474 I CA -0.454 60.745 61.300 -0.168 0.000 1.184 474 I CB 0.419 38.367 38.000 -0.087 0.000 1.353 474 I HN -0.099 nan 8.210 nan 0.000 0.490 475 R N 4.228 124.547 120.500 -0.301 0.000 2.602 475 R HA 0.722 5.062 4.340 0.000 0.000 0.237 475 R C -0.831 175.089 176.300 -0.633 0.000 1.219 475 R CA -0.676 55.266 56.100 -0.264 0.000 1.121 475 R CB 0.941 31.200 30.300 -0.070 0.000 1.408 475 R HN 0.142 nan 8.270 nan 0.000 0.559 476 F N -1.361 118.591 119.950 0.003 0.000 2.601 476 F HA 0.662 5.190 4.527 0.000 0.000 0.309 476 F C -0.268 175.508 175.800 -0.040 0.000 1.089 476 F CA -0.797 57.203 58.000 0.000 0.000 0.940 476 F CB 2.329 41.317 39.000 -0.020 0.000 1.273 476 F HN 0.606 nan 8.300 nan 0.000 0.450 477 A N 1.169 124.084 122.820 0.159 0.000 2.566 477 A HA 0.991 5.311 4.320 0.000 0.000 0.292 477 A C -0.517 177.114 177.584 0.079 0.000 1.112 477 A CA -0.362 51.709 52.037 0.057 0.000 0.707 477 A CB 1.885 20.909 19.000 0.040 0.000 1.302 477 A HN 1.762 nan 8.150 nan 0.000 0.409 478 G N 0.055 108.878 108.800 0.038 0.000 2.316 478 G HA2 0.464 4.424 3.960 0.000 0.000 0.468 478 G HA3 0.464 4.424 3.960 0.000 0.000 0.468 478 G C -0.033 174.933 174.900 0.110 0.000 1.523 478 G CA 0.507 45.709 45.100 0.168 0.000 0.972 478 G HN 1.786 nan 8.290 nan 0.000 0.667 479 E N -0.116 120.213 120.200 0.215 0.000 2.339 479 E HA -0.275 4.075 4.350 0.000 0.000 0.201 479 E C 1.488 178.162 176.600 0.123 0.000 1.015 479 E CA 2.499 58.964 56.400 0.109 0.000 0.841 479 E CB -0.305 29.439 29.700 0.073 0.000 0.754 479 E HN 0.885 nan 8.360 nan 0.000 0.508 480 H N -0.555 118.541 119.070 0.043 0.000 2.586 480 H HA 0.233 4.789 4.556 0.000 0.000 0.273 480 H C 0.569 175.886 175.328 -0.017 0.000 0.997 480 H CA 0.820 56.886 56.048 0.030 0.000 1.177 480 H CB -0.295 29.522 29.762 0.092 0.000 1.471 480 H HN 0.265 nan 8.280 nan 0.000 0.538 481 T N -1.428 112.870 114.554 -0.427 0.000 3.248 481 T HA 0.471 4.821 4.350 0.000 0.000 0.271 481 T C 0.124 174.729 174.700 -0.158 0.000 1.005 481 T CA -0.438 61.464 62.100 -0.330 0.000 0.902 481 T CB -0.651 68.016 68.868 -0.336 0.000 1.102 481 T HN 0.315 nan 8.240 nan 0.000 0.548 482 I N -0.018 120.480 120.570 -0.121 0.000 2.908 482 I HA 0.447 4.617 4.170 0.000 0.000 0.300 482 I C 0.259 176.328 176.117 -0.080 0.000 1.385 482 I CA -1.077 60.175 61.300 -0.081 0.000 1.004 482 I CB 2.167 40.131 38.000 -0.060 0.000 1.309 482 I HN 0.024 nan 8.210 nan 0.000 0.449 483 M N 2.691 122.256 119.600 -0.059 0.000 2.171 483 M HA 0.171 4.651 4.480 0.000 0.000 0.260 483 M C -0.061 176.203 176.300 -0.060 0.000 1.087 483 M CA 1.537 56.803 55.300 -0.057 0.000 1.154 483 M CB -0.134 32.445 32.600 -0.035 0.000 1.331 483 M HN 0.400 nan 8.290 nan 0.000 0.431 484 D N 0.505 120.896 120.400 -0.015 0.000 2.343 484 D HA 0.434 5.074 4.640 0.000 0.000 0.255 484 D C 0.909 177.177 176.300 -0.053 0.000 1.187 484 D CA 1.125 55.143 54.000 0.030 0.000 0.875 484 D CB 0.230 41.106 40.800 0.127 0.000 1.136 484 D HN 0.658 nan 8.370 nan 0.000 0.469 485 G N 1.760 110.437 108.800 -0.206 0.000 2.132 485 G HA2 -0.171 3.789 3.960 0.000 0.000 0.234 485 G HA3 -0.171 3.789 3.960 0.000 0.000 0.234 485 G C 0.543 175.142 174.900 -0.502 0.000 0.989 485 G CA -0.039 44.602 45.100 -0.765 0.000 0.676 485 G HN 0.836 nan 8.290 nan 0.000 0.522 486 A N -0.226 122.410 122.820 -0.307 0.000 2.567 486 A HA 0.572 4.892 4.320 0.000 0.000 0.240 486 A C 2.216 179.628 177.584 -0.286 0.000 1.053 486 A CA 2.100 53.996 52.037 -0.234 0.000 0.755 486 A CB -0.214 18.673 19.000 -0.188 0.000 0.978 486 A HN 2.418 nan 8.150 nan 0.000 0.507 487 G N 0.762 109.443 108.800 -0.199 0.000 2.189 487 G HA2 -0.307 3.653 3.960 0.000 0.000 0.267 487 G HA3 -0.307 3.653 3.960 0.000 0.000 0.267 487 G C 0.459 175.113 174.900 -0.410 0.000 0.975 487 G CA 0.628 45.573 45.100 -0.258 0.000 0.644 487 G HN 1.189 nan 8.290 nan 0.000 0.537 488 C N -0.267 118.817 119.300 -0.361 0.000 2.349 488 C HA 0.798 5.259 4.460 0.000 0.000 0.361 488 C C 2.284 177.153 174.990 -0.202 0.000 1.189 488 C CA 0.157 58.998 59.018 -0.296 0.000 2.155 488 C CB 1.182 28.721 27.740 -0.335 0.000 2.336 488 C HN 0.828 nan 8.230 nan 0.000 0.540 489 A N 0.730 123.500 122.820 -0.084 0.000 1.908 489 A HA -0.179 4.141 4.320 0.000 0.000 0.218 489 A C 1.782 179.459 177.584 0.155 0.000 1.181 489 A CA 2.208 54.238 52.037 -0.012 0.000 0.627 489 A CB -0.849 18.105 19.000 -0.078 0.000 0.818 489 A HN 1.070 nan 8.150 nan 0.000 0.445 490 Y N -1.104 119.278 120.300 0.137 0.000 2.314 490 Y HA 0.229 4.780 4.550 0.000 0.000 0.293 490 Y C 2.152 178.220 175.900 0.279 0.000 1.129 490 Y CA 0.456 58.676 58.100 0.200 0.000 1.201 490 Y CB -1.156 37.373 38.460 0.115 0.000 0.999 490 Y HN 0.078 nan 8.280 nan 0.000 0.541 491 G N 1.042 109.621 108.800 -0.368 0.000 2.459 491 G HA2 -0.263 3.697 3.960 0.000 0.000 0.217 491 G HA3 -0.263 3.697 3.960 0.000 0.000 0.217 491 G C 1.869 176.779 174.900 0.016 0.000 1.183 491 G CA 1.453 46.402 45.100 -0.251 0.000 0.776 491 G HN 0.645 nan 8.290 nan 0.000 0.552 492 A N -0.033 122.811 122.820 0.040 0.000 1.908 492 A HA -0.095 4.225 4.320 0.000 0.000 0.218 492 A C 2.154 179.851 177.584 0.188 0.000 1.181 492 A CA 1.729 53.828 52.037 0.103 0.000 0.627 492 A CB -0.846 18.216 19.000 0.103 0.000 0.818 492 A HN 0.592 nan 8.150 nan 0.000 0.445 493 W N 0.884 122.225 121.300 0.069 0.000 2.317 493 W HA -0.252 4.408 4.660 0.000 0.000 0.318 493 W C 2.071 178.648 176.519 0.096 0.000 1.227 493 W CA 2.399 59.809 57.345 0.108 0.000 1.269 493 W CB -0.254 29.305 29.460 0.165 0.000 1.155 493 W HN 0.406 nan 8.180 nan 0.000 0.484 494 E N 0.444 120.814 120.200 0.283 0.000 2.077 494 E HA -0.234 4.117 4.350 0.000 0.000 0.193 494 E C 2.384 178.946 176.600 -0.063 0.000 0.989 494 E CA 2.509 58.929 56.400 0.032 0.000 0.800 494 E CB -0.710 29.129 29.700 0.231 0.000 0.746 494 E HN 0.292 nan 8.360 nan 0.000 0.452 495 S N -0.895 114.803 115.700 -0.003 0.000 2.400 495 S HA -0.114 4.356 4.470 0.000 0.000 0.232 495 S C 2.227 176.795 174.600 -0.054 0.000 1.025 495 S CA 1.177 59.361 58.200 -0.027 0.000 0.993 495 S CB -0.990 62.199 63.200 -0.018 0.000 0.808 495 S HN 0.361 nan 8.310 nan 0.000 0.478 496 G N 1.631 110.387 108.800 -0.074 0.000 2.408 496 G HA2 -0.144 3.816 3.960 0.000 0.000 0.217 496 G HA3 -0.144 3.816 3.960 0.000 0.000 0.217 496 G C 1.572 176.380 174.900 -0.154 0.000 1.150 496 G CA 0.606 45.650 45.100 -0.093 0.000 0.776 496 G HN 0.577 nan 8.290 nan 0.000 0.542 497 R N 0.275 120.619 120.500 -0.259 0.000 2.073 497 R HA 0.060 4.400 4.340 0.000 0.000 0.229 497 R C 2.510 178.716 176.300 -0.156 0.000 1.120 497 R CA 1.076 57.019 56.100 -0.261 0.000 0.967 497 R CB -0.319 29.729 30.300 -0.420 0.000 0.862 497 R HN 0.327 nan 8.270 nan 0.000 0.436 498 R N 0.751 121.176 120.500 -0.125 0.000 2.171 498 R HA -0.195 4.145 4.340 0.000 0.000 0.226 498 R C 1.820 178.081 176.300 -0.066 0.000 1.113 498 R CA 2.183 58.237 56.100 -0.076 0.000 0.887 498 R CB -0.393 29.877 30.300 -0.050 0.000 0.830 498 R HN 0.211 nan 8.270 nan 0.000 0.432 499 E N 0.216 120.384 120.200 -0.054 0.000 2.169 499 E HA -0.260 4.090 4.350 0.000 0.000 0.202 499 E C 1.846 178.405 176.600 -0.068 0.000 1.016 499 E CA 1.491 57.864 56.400 -0.045 0.000 0.817 499 E CB -0.407 29.273 29.700 -0.032 0.000 0.736 499 E HN 0.556 nan 8.360 nan 0.000 0.462 500 A N 0.886 123.656 122.820 -0.083 0.000 1.845 500 A HA -0.196 4.125 4.320 0.000 0.000 0.215 500 A C 2.523 180.049 177.584 -0.096 0.000 1.195 500 A CA 2.367 54.349 52.037 -0.092 0.000 0.616 500 A CB -1.116 17.830 19.000 -0.091 0.000 0.832 500 A HN 0.281 nan 8.150 nan 0.000 0.443 501 T N -0.473 114.029 114.554 -0.088 0.000 2.607 501 T HA -0.238 4.113 4.350 0.000 0.000 0.267 501 T C 2.039 176.686 174.700 -0.088 0.000 1.049 501 T CA 1.840 63.892 62.100 -0.079 0.000 1.162 501 T CB -0.374 68.454 68.868 -0.067 0.000 0.863 501 T HN 0.590 nan 8.240 nan 0.000 0.424 502 R N 0.628 121.082 120.500 -0.078 0.000 2.153 502 R HA -0.135 4.205 4.340 0.000 0.000 0.252 502 R C 2.262 178.480 176.300 -0.137 0.000 1.158 502 R CA 1.685 57.739 56.100 -0.076 0.000 0.975 502 R CB -0.485 29.788 30.300 -0.045 0.000 0.871 502 R HN 0.457 nan 8.270 nan 0.000 0.450 503 I N -0.043 120.412 120.570 -0.191 0.000 2.716 503 I HA -0.121 4.049 4.170 0.000 0.000 0.259 503 I C 2.010 177.934 176.117 -0.323 0.000 1.172 503 I CA 0.557 61.629 61.300 -0.380 0.000 1.478 503 I CB 0.049 37.822 38.000 -0.377 0.000 1.104 503 I HN 0.168 nan 8.210 nan 0.000 0.439 504 S N 0.678 116.265 115.700 -0.188 0.000 2.355 504 S HA -0.171 4.300 4.470 0.000 0.000 0.222 504 S C 1.548 176.076 174.600 -0.121 0.000 1.031 504 S CA 1.306 59.426 58.200 -0.132 0.000 0.993 504 S CB -0.275 62.875 63.200 -0.083 0.000 0.859 504 S HN 0.422 nan 8.310 nan 0.000 0.453 505 D N 1.922 122.258 120.400 -0.108 0.000 2.087 505 D HA -0.093 4.547 4.640 0.000 0.000 0.192 505 D C 2.007 178.252 176.300 -0.091 0.000 0.993 505 D CA 0.961 54.912 54.000 -0.081 0.000 0.828 505 D CB -0.642 40.120 40.800 -0.063 0.000 0.968 505 D HN 0.286 nan 8.370 nan 0.000 0.448 506 L N 0.296 121.441 121.223 -0.128 0.000 2.137 506 L HA -0.200 4.140 4.340 0.000 0.000 0.213 506 L C 2.530 179.335 176.870 -0.110 0.000 1.085 506 L CA 0.889 55.657 54.840 -0.119 0.000 0.760 506 L CB -0.377 41.575 42.059 -0.179 0.000 0.893 506 L HN 0.065 nan 8.230 nan 0.000 0.434 507 L N -0.916 120.212 121.223 -0.158 0.000 2.253 507 L HA -0.065 4.276 4.340 0.000 0.000 0.205 507 L C 2.366 179.205 176.870 -0.052 0.000 1.078 507 L CA 0.501 55.282 54.840 -0.099 0.000 0.805 507 L CB -0.346 41.634 42.059 -0.133 0.000 0.963 507 L HN 0.141 nan 8.230 nan 0.000 0.459 508 K N 0.687 121.053 120.400 -0.057 0.000 2.574 508 K HA -0.088 4.232 4.320 0.000 0.000 0.193 508 K C 0.873 177.459 176.600 -0.024 0.000 1.035 508 K CA 0.051 56.318 56.287 -0.033 0.000 0.982 508 K CB 0.128 32.607 32.500 -0.035 0.000 0.795 508 K HN -0.009 nan 8.250 nan 0.000 0.491 509 L N 0.000 121.208 121.223 -0.025 0.000 2.949 509 L HA 0.000 4.340 4.340 0.000 0.000 0.249 509 L CA 0.000 54.832 54.840 -0.014 0.000 0.813 509 L CB 0.000 42.052 42.059 -0.011 0.000 0.961 509 L HN 0.000 nan 8.230 nan 0.000 0.502