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 1sff_1_A DATA FIRST_RESID 2 DATA SEQUENCE NSNKELMQRR SQAIPRGVGQ IHPIFADRAE NCRVWDVEGR EYLDFAGGIA DATA SEQUENCE VLNTGHLHPK VVAAVEAQLK KLSHTCFQVL AYEPYLELCE IMNQKVPGDF DATA SEQUENCE AKKTLLVTTG SEAVENAVKI ARAATKRSGT IAFSGAYHGR THYTLALTGK DATA SEQUENCE VNPYSAGMGL MPGHVYRALY PCPLHGISED DAIASIHRIF KNDAAPEDIA DATA SEQUENCE AIVIEPVQGE GGFYASSPAF MQRLRALCDE HGIMLIADEV QSGAGRTGTL DATA SEQUENCE FAMEQMGVAP DLTTFAKSIA GGFPLAGVTG RAEVMDAVAP GGLGGTYAGN DATA SEQUENCE PIACVAALEV LKVFEQENLL QKANDLGQKL KDGLLAIAEK HPEIGDVRGL DATA SEQUENCE GAMIAIELFE DGDHNKPDAK LTAEIVARAR DKGLILLSCG PYYNVLRILV DATA SEQUENCE PLTIEDAQIR QGLEIISQCF DEAKQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.479 175.510 -0.052 0.000 1.280 2 N CA 0.000 53.010 53.050 -0.066 0.000 0.885 2 N CB 0.000 38.467 38.487 -0.034 0.000 1.341 3 S N -0.623 115.036 115.700 -0.069 0.000 2.621 3 S HA 0.512 4.983 4.470 0.001 0.000 0.302 3 S C 0.778 175.337 174.600 -0.069 0.000 1.093 3 S CA -0.539 57.638 58.200 -0.038 0.000 1.017 3 S CB 1.856 65.040 63.200 -0.026 0.000 1.077 3 S HN 0.017 nan 8.310 nan 0.000 0.517 4 N N 1.450 120.149 118.700 -0.002 0.000 2.149 4 N HA -0.135 4.606 4.740 0.001 0.000 0.188 4 N C 1.541 177.048 175.510 -0.006 0.000 1.019 4 N CA 1.409 54.482 53.050 0.038 0.000 0.857 4 N CB -0.456 38.108 38.487 0.128 0.000 0.997 4 N HN 0.798 nan 8.380 nan 0.000 0.426 5 K N 1.406 121.803 120.400 -0.005 0.000 2.026 5 K HA -0.109 4.212 4.320 0.001 0.000 0.208 5 K C 1.640 178.209 176.600 -0.052 0.000 1.048 5 K CA 1.274 57.555 56.287 -0.010 0.000 0.929 5 K CB 0.061 32.559 32.500 -0.004 0.000 0.713 5 K HN 0.192 nan 8.250 nan 0.000 0.439 6 E N 0.534 120.684 120.200 -0.084 0.000 2.110 6 E HA -0.171 4.179 4.350 0.001 0.000 0.193 6 E C 2.074 178.567 176.600 -0.179 0.000 0.988 6 E CA 1.175 57.512 56.400 -0.105 0.000 0.804 6 E CB -0.044 29.596 29.700 -0.101 0.000 0.745 6 E HN 0.317 nan 8.360 nan 0.000 0.458 7 L N 0.231 121.254 121.223 -0.333 0.000 2.093 7 L HA -0.147 4.193 4.340 0.001 0.000 0.208 7 L C 2.483 179.139 176.870 -0.356 0.000 1.085 7 L CA 0.546 54.995 54.840 -0.652 0.000 0.755 7 L CB -0.275 40.830 42.059 -1.590 0.000 0.904 7 L HN 0.226 nan 8.230 nan 0.000 0.435 8 M N -0.603 118.939 119.600 -0.096 0.000 2.159 8 M HA -0.193 4.288 4.480 0.001 0.000 0.263 8 M C 2.207 178.534 176.300 0.045 0.000 1.063 8 M CA 1.660 57.029 55.300 0.115 0.000 1.110 8 M CB -0.925 31.750 32.600 0.124 0.000 1.374 8 M HN 0.334 nan 8.290 nan 0.000 0.411 9 Q N -0.386 119.408 119.800 -0.010 0.000 2.046 9 Q HA -0.133 4.208 4.340 0.001 0.000 0.200 9 Q C 2.191 178.186 176.000 -0.007 0.000 0.975 9 Q CA 1.296 57.094 55.803 -0.009 0.000 0.836 9 Q CB -0.164 28.559 28.738 -0.024 0.000 0.896 9 Q HN 0.476 nan 8.270 nan 0.000 0.428 10 R N 0.283 120.763 120.500 -0.033 0.000 2.120 10 R HA -0.106 4.235 4.340 0.001 0.000 0.234 10 R C 2.337 178.652 176.300 0.026 0.000 1.123 10 R CA 1.005 57.093 56.100 -0.020 0.000 0.975 10 R CB -0.183 30.082 30.300 -0.057 0.000 0.866 10 R HN 0.157 nan 8.270 nan 0.000 0.446 11 R N 0.651 121.192 120.500 0.068 0.000 2.073 11 R HA -0.146 4.194 4.340 0.001 0.000 0.234 11 R C 2.315 178.655 176.300 0.067 0.000 1.134 11 R CA 2.100 58.272 56.100 0.120 0.000 0.952 11 R CB -0.238 30.183 30.300 0.203 0.000 0.850 11 R HN 0.286 nan 8.270 nan 0.000 0.433 12 S N 0.088 115.817 115.700 0.049 0.000 2.419 12 S HA -0.144 4.327 4.470 0.001 0.000 0.235 12 S C 1.744 176.357 174.600 0.022 0.000 1.019 12 S CA 0.889 59.106 58.200 0.029 0.000 0.982 12 S CB -0.066 63.146 63.200 0.020 0.000 0.789 12 S HN 0.341 nan 8.310 nan 0.000 0.490 13 Q N 0.629 120.441 119.800 0.020 0.000 2.269 13 Q HA 0.346 4.687 4.340 0.001 0.000 0.201 13 Q C 2.107 178.118 176.000 0.019 0.000 0.946 13 Q CA 1.325 57.137 55.803 0.015 0.000 0.877 13 Q CB -0.320 28.424 28.738 0.009 0.000 0.963 13 Q HN 0.768 nan 8.270 nan 0.000 0.472 14 A N -0.698 122.139 122.820 0.028 0.000 2.259 14 A HA 0.322 4.643 4.320 0.001 0.000 0.213 14 A C 0.793 178.396 177.584 0.033 0.000 1.209 14 A CA -0.098 51.957 52.037 0.030 0.000 0.910 14 A CB 0.737 19.759 19.000 0.035 0.000 0.946 14 A HN 0.157 nan 8.150 nan 0.000 0.497 15 I N 1.672 122.264 120.570 0.036 0.000 2.608 15 I HA 0.338 4.509 4.170 0.001 0.000 0.295 15 I C -2.408 173.724 176.117 0.024 0.000 1.049 15 I CA -2.450 58.870 61.300 0.033 0.000 1.063 15 I CB 2.293 40.319 38.000 0.044 0.000 1.248 15 I HN 0.027 nan 8.210 nan 0.000 0.424 16 P HA 0.093 nan 4.420 nan 0.000 0.269 16 P C 0.165 177.469 177.300 0.008 0.000 1.209 16 P CA -0.343 62.765 63.100 0.012 0.000 0.776 16 P CB 0.618 32.326 31.700 0.012 0.000 0.876 17 R N 1.523 122.024 120.500 0.003 0.000 2.237 17 R HA -0.044 4.297 4.340 0.001 0.000 0.219 17 R C 1.899 178.193 176.300 -0.011 0.000 1.080 17 R CA 1.420 57.517 56.100 -0.005 0.000 0.995 17 R CB -1.433 28.862 30.300 -0.009 0.000 0.875 17 R HN 0.508 nan 8.270 nan 0.000 0.462 18 G N 1.413 110.210 108.800 -0.005 0.000 2.448 18 G HA2 -0.106 3.855 3.960 0.001 0.000 0.219 18 G HA3 -0.106 3.855 3.960 0.001 0.000 0.219 18 G C 0.518 175.418 174.900 0.000 0.000 1.127 18 G CA 0.364 45.462 45.100 -0.004 0.000 0.766 18 G HN 0.162 nan 8.290 nan 0.000 0.552 19 V N 2.031 121.945 119.914 0.000 0.000 2.370 19 V HA 0.464 4.584 4.120 0.001 0.000 0.257 19 V C 1.275 177.358 176.094 -0.019 0.000 1.064 19 V CA -0.504 61.794 62.300 -0.002 0.000 0.975 19 V CB 0.235 32.055 31.823 -0.004 0.000 1.067 19 V HN 0.259 nan 8.190 nan 0.000 0.485 20 G N 3.801 112.585 108.800 -0.026 0.000 2.636 20 G HA2 0.348 4.309 3.960 0.001 0.000 0.246 20 G HA3 0.348 4.309 3.960 0.001 0.000 0.246 20 G C -0.276 174.585 174.900 -0.066 0.000 1.216 20 G CA -0.150 44.920 45.100 -0.050 0.000 0.854 20 G HN 0.635 nan 8.290 nan 0.000 0.572 21 Q N 0.505 120.256 119.800 -0.082 0.000 2.394 21 Q HA 0.300 4.640 4.340 0.001 0.000 0.261 21 Q C 1.063 176.976 176.000 -0.146 0.000 1.023 21 Q CA -0.669 55.073 55.803 -0.100 0.000 0.720 21 Q CB 0.880 29.574 28.738 -0.073 0.000 1.241 21 Q HN 0.314 nan 8.270 nan 0.000 0.483 22 I N 1.589 122.042 120.570 -0.195 0.000 2.179 22 I HA -0.153 4.018 4.170 0.001 0.000 0.242 22 I C 0.142 175.939 176.117 -0.534 0.000 1.088 22 I CA 1.237 62.324 61.300 -0.356 0.000 1.357 22 I CB -0.762 36.997 38.000 -0.402 0.000 1.051 22 I HN 0.621 nan 8.210 nan 0.000 0.409 23 H N 1.679 120.687 119.070 -0.102 0.000 2.539 23 H HA 0.260 4.817 4.556 0.001 0.000 0.332 23 H C -1.991 173.277 175.328 -0.100 0.000 1.031 23 H CA -1.746 54.237 56.048 -0.108 0.000 1.206 23 H CB 1.306 30.975 29.762 -0.154 0.000 1.446 23 H HN -0.023 nan 8.280 nan 0.000 0.496 24 P HA 0.105 nan 4.420 nan 0.000 0.225 24 P C -0.697 176.665 177.300 0.103 0.000 1.768 24 P CA 0.410 63.544 63.100 0.056 0.000 0.943 24 P CB -0.242 31.490 31.700 0.054 0.000 1.936 25 I N 0.632 121.231 120.570 0.049 0.000 2.582 25 I HA 0.353 4.524 4.170 0.001 0.000 0.292 25 I C -0.346 175.790 176.117 0.032 0.000 1.066 25 I CA -1.117 60.219 61.300 0.061 0.000 1.053 25 I CB 1.926 39.843 38.000 -0.138 0.000 1.241 25 I HN -0.168 nan 8.210 nan 0.000 0.421 26 F N 4.339 124.275 119.950 -0.023 0.000 2.361 26 F HA 0.546 5.074 4.527 0.002 0.000 0.364 26 F C 0.785 176.582 175.800 -0.005 0.000 1.120 26 F CA -0.556 57.437 58.000 -0.012 0.000 1.102 26 F CB 1.381 40.384 39.000 0.006 0.000 1.183 26 F HN 0.433 nan 8.300 nan 0.000 0.476 27 A N 2.819 125.663 122.820 0.040 0.000 2.425 27 A HA 0.232 4.552 4.320 0.001 0.000 0.249 27 A C 0.752 178.397 177.584 0.102 0.000 1.084 27 A CA -0.036 52.025 52.037 0.040 0.000 0.781 27 A CB 0.309 19.284 19.000 -0.042 0.000 1.019 27 A HN 0.826 nan 8.150 nan 0.000 0.490 28 D N 0.350 120.828 120.400 0.130 0.000 2.615 28 D HA 0.114 4.755 4.640 0.001 0.000 0.259 28 D C 0.709 177.068 176.300 0.098 0.000 0.999 28 D CA 0.832 54.904 54.000 0.119 0.000 0.938 28 D CB 0.259 41.135 40.800 0.127 0.000 1.121 28 D HN 0.729 nan 8.370 nan 0.000 0.487 29 R N -0.820 119.766 120.500 0.145 0.000 2.752 29 R HA 0.842 5.182 4.340 0.001 0.000 0.271 29 R C -1.641 174.793 176.300 0.223 0.000 1.026 29 R CA -1.136 55.041 56.100 0.128 0.000 0.901 29 R CB 1.482 31.817 30.300 0.058 0.000 1.243 29 R HN -0.016 nan 8.270 nan 0.000 0.463 30 A N 0.352 123.264 122.820 0.154 0.000 2.610 30 A HA 0.662 4.983 4.320 0.001 0.000 0.291 30 A C -1.673 176.030 177.584 0.199 0.000 1.086 30 A CA -0.660 51.431 52.037 0.090 0.000 0.677 30 A CB 2.348 20.989 19.000 -0.597 0.000 1.278 30 A HN 0.817 nan 8.150 nan 0.000 0.414 31 E N 1.217 121.564 120.200 0.244 0.000 2.415 31 E HA 0.353 4.704 4.350 0.001 0.000 0.302 31 E C 0.184 176.906 176.600 0.203 0.000 0.907 31 E CA 0.076 56.625 56.400 0.248 0.000 0.798 31 E CB 0.942 30.818 29.700 0.294 0.000 1.315 31 E HN 1.019 nan 8.360 nan 0.000 0.396 32 N N 2.051 120.866 118.700 0.192 0.000 1.911 32 N HA -0.342 4.399 4.740 0.001 0.000 0.160 32 N C 0.329 175.948 175.510 0.181 0.000 0.585 32 N CA 2.378 55.512 53.050 0.139 0.000 1.293 32 N CB -1.168 37.364 38.487 0.074 0.000 1.355 32 N HN 0.576 nan 8.380 nan 0.000 0.425 33 C N 1.808 121.178 119.300 0.117 0.000 2.906 33 C HA 0.347 4.807 4.460 0.001 0.000 0.274 33 C C 0.458 175.473 174.990 0.042 0.000 1.257 33 C CA -0.371 58.716 59.018 0.116 0.000 1.695 33 C CB -1.291 26.507 27.740 0.096 0.000 1.958 33 C HN 0.246 nan 8.230 nan 0.000 0.619 34 R N 0.574 121.042 120.500 -0.053 0.000 2.407 34 R HA 0.678 5.019 4.340 0.001 0.000 0.303 34 R C -1.150 174.874 176.300 -0.461 0.000 0.981 34 R CA -0.111 55.774 56.100 -0.358 0.000 0.905 34 R CB 1.638 31.564 30.300 -0.624 0.000 1.099 34 R HN 0.019 nan 8.270 nan 0.000 0.459 35 V N 2.697 122.288 119.914 -0.538 0.000 2.709 35 V HA 0.422 4.543 4.120 0.001 0.000 0.308 35 V C -0.727 175.169 176.094 -0.329 0.000 1.062 35 V CA -0.906 61.193 62.300 -0.336 0.000 0.901 35 V CB 2.169 33.860 31.823 -0.220 0.000 1.003 35 V HN 0.666 nan 8.190 nan 0.000 0.425 36 W N 2.866 124.193 121.300 0.045 0.000 2.529 36 W HA 0.433 5.094 4.660 0.001 0.000 0.321 36 W C -0.263 176.325 176.519 0.115 0.000 1.047 36 W CA -0.591 56.814 57.345 0.099 0.000 1.216 36 W CB 2.228 31.708 29.460 0.033 0.000 1.357 36 W HN 0.790 nan 8.180 nan 0.000 0.489 37 D N -0.635 119.990 120.400 0.376 0.000 2.478 37 D HA 0.125 4.766 4.640 0.001 0.000 0.269 37 D C 1.142 177.577 176.300 0.225 0.000 1.232 37 D CA -0.499 53.664 54.000 0.272 0.000 1.059 37 D CB 0.123 41.100 40.800 0.296 0.000 1.104 37 D HN 0.133 nan 8.370 nan 0.000 0.566 38 V N -2.927 117.096 119.914 0.182 0.000 3.078 38 V HA -0.066 4.055 4.120 0.001 0.000 0.265 38 V C 1.273 177.424 176.094 0.095 0.000 1.122 38 V CA 1.345 63.719 62.300 0.124 0.000 1.141 38 V CB -1.150 30.729 31.823 0.093 0.000 0.735 38 V HN 0.530 nan 8.190 nan 0.000 0.498 39 E N 0.702 120.971 120.200 0.116 0.000 2.474 39 E HA 0.367 4.718 4.350 0.001 0.000 0.195 39 E C 1.679 178.335 176.600 0.093 0.000 1.039 39 E CA 0.479 56.929 56.400 0.084 0.000 0.881 39 E CB 0.508 30.256 29.700 0.080 0.000 0.970 39 E HN 0.782 nan 8.360 nan 0.000 0.486 40 G N 2.484 111.370 108.800 0.143 0.000 2.175 40 G HA2 -0.318 3.643 3.960 0.001 0.000 0.244 40 G HA3 -0.318 3.643 3.960 0.001 0.000 0.244 40 G C 0.310 175.341 174.900 0.219 0.000 0.982 40 G CA 0.103 45.308 45.100 0.174 0.000 0.641 40 G HN 0.234 nan 8.290 nan 0.000 0.527 41 R N 1.082 121.666 120.500 0.140 0.000 2.543 41 R HA 0.465 4.806 4.340 0.001 0.000 0.277 41 R C 0.067 176.279 176.300 -0.147 0.000 1.074 41 R CA -0.141 55.936 56.100 -0.038 0.000 1.076 41 R CB 0.422 30.632 30.300 -0.151 0.000 0.993 41 R HN 0.391 nan 8.270 nan 0.000 0.459 42 E N 3.229 123.213 120.200 -0.360 0.000 2.191 42 E HA 0.197 4.547 4.350 0.001 0.000 0.278 42 E C -1.517 174.652 176.600 -0.719 0.000 0.972 42 E CA -0.589 55.441 56.400 -0.617 0.000 0.804 42 E CB 0.760 30.148 29.700 -0.520 0.000 1.110 42 E HN 0.473 nan 8.360 nan 0.000 0.394 43 Y N 1.867 121.892 120.300 -0.458 0.000 2.570 43 Y HA 0.376 4.926 4.550 0.001 0.000 0.345 43 Y C -0.531 175.176 175.900 -0.322 0.000 1.014 43 Y CA -1.114 56.793 58.100 -0.322 0.000 1.063 43 Y CB 1.343 39.645 38.460 -0.263 0.000 1.272 43 Y HN 0.424 nan 8.280 nan 0.000 0.477 44 L N 2.633 123.812 121.223 -0.073 0.000 2.272 44 L HA 0.436 4.777 4.340 0.001 0.000 0.289 44 L C -0.735 176.142 176.870 0.012 0.000 1.032 44 L CA -0.414 54.386 54.840 -0.066 0.000 0.810 44 L CB 0.695 42.676 42.059 -0.129 0.000 1.205 44 L HN 0.604 nan 8.230 nan 0.000 0.422 45 D N 4.112 124.570 120.400 0.098 0.000 2.441 45 D HA 0.123 4.764 4.640 0.001 0.000 0.221 45 D C 0.052 176.530 176.300 0.297 0.000 1.156 45 D CA -0.028 54.057 54.000 0.141 0.000 0.896 45 D CB 0.203 41.091 40.800 0.147 0.000 1.028 45 D HN 0.407 nan 8.370 nan 0.000 0.509 46 F N 2.062 121.993 119.950 -0.031 0.000 2.660 46 F HA 0.312 4.840 4.527 0.002 0.000 0.302 46 F C 1.744 177.536 175.800 -0.015 0.000 1.103 46 F CA -0.294 57.695 58.000 -0.018 0.000 1.340 46 F CB 0.032 39.020 39.000 -0.021 0.000 1.048 46 F HN 0.511 nan 8.300 nan 0.000 0.551 47 A N -0.844 122.050 122.820 0.123 0.000 2.085 47 A HA 0.442 4.763 4.320 0.001 0.000 0.208 47 A C 1.970 179.567 177.584 0.021 0.000 1.191 47 A CA 0.617 52.689 52.037 0.059 0.000 0.799 47 A CB -0.728 18.306 19.000 0.056 0.000 0.877 47 A HN 0.391 nan 8.150 nan 0.000 0.473 48 G N -0.620 108.188 108.800 0.014 0.000 2.341 48 G HA2 0.123 4.084 3.960 0.001 0.000 0.292 48 G HA3 0.123 4.084 3.960 0.001 0.000 0.292 48 G C 1.434 176.290 174.900 -0.073 0.000 1.021 48 G CA 0.840 45.909 45.100 -0.052 0.000 0.905 48 G HN 2.043 nan 8.290 nan 0.000 0.508 49 G N -0.470 108.309 108.800 -0.035 0.000 2.225 49 G HA2 -0.102 3.858 3.960 0.001 0.000 0.267 49 G HA3 -0.102 3.858 3.960 0.001 0.000 0.267 49 G C 0.754 175.636 174.900 -0.030 0.000 1.024 49 G CA 0.329 45.407 45.100 -0.036 0.000 0.784 49 G HN 2.138 nan 8.290 nan 0.000 0.507 50 I N -3.534 117.025 120.570 -0.017 0.000 6.431 50 I HA -0.196 3.975 4.170 0.001 0.000 0.126 50 I C 1.382 177.499 176.117 0.000 0.000 1.825 50 I CA 0.461 61.753 61.300 -0.012 0.000 2.040 50 I CB -2.019 35.962 38.000 -0.031 0.000 3.487 50 I HN 2.206 nan 8.210 nan 0.000 0.170 51 A N 0.995 123.818 122.820 0.006 0.000 2.905 51 A HA -0.191 4.130 4.320 0.001 0.000 0.260 51 A C 0.942 178.525 177.584 -0.001 0.000 1.398 51 A CA 1.160 53.203 52.037 0.011 0.000 0.840 51 A CB -1.827 17.194 19.000 0.035 0.000 1.059 51 A HN 0.812 nan 8.150 nan 0.000 0.647 52 V N -1.034 118.867 119.914 -0.022 0.000 3.471 52 V HA 0.159 4.280 4.120 0.001 0.000 0.258 52 V C 1.258 177.329 176.094 -0.038 0.000 1.192 52 V CA 1.550 63.837 62.300 -0.022 0.000 1.116 52 V CB 0.143 31.942 31.823 -0.040 0.000 0.792 52 V HN 0.580 nan 8.190 nan 0.000 0.459 53 L N 0.455 121.633 121.223 -0.075 0.000 3.096 53 L HA 0.343 4.684 4.340 0.001 0.000 0.247 53 L C 1.211 178.050 176.870 -0.053 0.000 1.321 53 L CA 0.061 54.838 54.840 -0.104 0.000 1.044 53 L CB -0.527 41.366 42.059 -0.276 0.000 1.434 53 L HN 0.256 nan 8.230 nan 0.000 0.533 54 N N 0.154 118.857 118.700 0.006 0.000 2.272 54 N HA -0.149 4.592 4.740 0.001 0.000 0.185 54 N C 1.354 176.833 175.510 -0.052 0.000 1.014 54 N CA 1.675 54.734 53.050 0.015 0.000 0.870 54 N CB 0.195 38.771 38.487 0.148 0.000 0.975 54 N HN 0.467 nan 8.380 nan 0.000 0.433 55 T N -2.118 112.423 114.554 -0.022 0.000 3.122 55 T HA 0.410 4.760 4.350 0.001 0.000 0.250 55 T C 0.810 175.557 174.700 0.077 0.000 1.067 55 T CA -0.096 61.991 62.100 -0.021 0.000 0.966 55 T CB 0.433 69.283 68.868 -0.031 0.000 1.002 55 T HN 0.293 nan 8.240 nan 0.000 0.542 56 G N 1.140 109.948 108.800 0.013 0.000 2.781 56 G HA2 -0.152 3.809 3.960 0.001 0.000 0.683 56 G HA3 -0.152 3.809 3.960 0.001 0.000 0.683 56 G C -0.864 174.050 174.900 0.023 0.000 1.390 56 G CA -1.017 44.093 45.100 0.016 0.000 0.850 56 G HN 0.692 nan 8.290 nan 0.000 0.557 57 H N -0.018 119.086 119.070 0.058 0.000 2.886 57 H HA 0.397 4.954 4.556 0.001 0.000 0.329 57 H C 1.435 176.817 175.328 0.090 0.000 1.044 57 H CA 0.916 57.002 56.048 0.063 0.000 1.456 57 H CB 0.347 30.146 29.762 0.062 0.000 1.464 57 H HN 0.788 nan 8.280 nan 0.000 0.573 58 L N 2.575 123.937 121.223 0.231 0.000 3.795 58 L HA -0.272 4.069 4.340 0.001 0.000 0.489 58 L C 0.250 177.234 176.870 0.190 0.000 1.259 58 L CA 0.051 55.023 54.840 0.220 0.000 0.765 58 L CB -1.495 40.674 42.059 0.184 0.000 1.519 58 L HN 0.798 nan 8.230 nan 0.000 0.842 59 H N 2.037 121.180 119.070 0.122 0.000 3.094 59 H HA 0.001 4.558 4.556 0.001 0.000 0.320 59 H C -1.393 173.980 175.328 0.075 0.000 1.000 59 H CA -0.627 55.467 56.048 0.078 0.000 1.413 59 H CB 1.214 31.007 29.762 0.053 0.000 1.405 59 H HN 0.083 nan 8.280 nan 0.000 0.586 60 P HA -0.172 nan 4.420 nan 0.000 0.216 60 P C 1.345 178.753 177.300 0.179 0.000 1.150 60 P CA 1.332 64.464 63.100 0.054 0.000 0.843 60 P CB 0.426 32.097 31.700 -0.048 0.000 0.787 61 K N -0.585 120.052 120.400 0.395 0.000 2.057 61 K HA -0.019 4.302 4.320 0.001 0.000 0.206 61 K C 2.075 178.751 176.600 0.127 0.000 1.050 61 K CA 0.898 57.319 56.287 0.223 0.000 0.935 61 K CB -1.374 31.232 32.500 0.176 0.000 0.715 61 K HN 0.090 nan 8.250 nan 0.000 0.439 62 V N 1.231 121.241 119.914 0.160 0.000 2.295 62 V HA -0.198 3.923 4.120 0.001 0.000 0.246 62 V C 2.517 178.628 176.094 0.029 0.000 1.049 62 V CA 1.412 63.749 62.300 0.062 0.000 1.024 62 V CB -0.468 31.429 31.823 0.124 0.000 0.648 62 V HN -0.047 nan 8.190 nan 0.000 0.447 63 V N 0.341 120.321 119.914 0.111 0.000 2.343 63 V HA -0.268 3.853 4.120 0.001 0.000 0.247 63 V C 2.711 178.822 176.094 0.028 0.000 1.051 63 V CA 2.025 64.376 62.300 0.084 0.000 1.036 63 V CB -1.158 30.744 31.823 0.133 0.000 0.654 63 V HN 0.565 nan 8.190 nan 0.000 0.451 64 A N -0.057 122.787 122.820 0.040 0.000 1.933 64 A HA -0.123 4.198 4.320 0.001 0.000 0.218 64 A C 2.417 179.997 177.584 -0.006 0.000 1.175 64 A CA 2.109 54.159 52.037 0.021 0.000 0.628 64 A CB -0.723 18.296 19.000 0.032 0.000 0.814 64 A HN 0.575 nan 8.150 nan 0.000 0.444 65 A N -0.696 122.111 122.820 -0.021 0.000 1.898 65 A HA 0.034 4.355 4.320 0.001 0.000 0.216 65 A C 2.227 179.762 177.584 -0.081 0.000 1.181 65 A CA 1.662 53.672 52.037 -0.044 0.000 0.620 65 A CB -0.878 18.091 19.000 -0.051 0.000 0.819 65 A HN 0.362 nan 8.150 nan 0.000 0.442 66 V N 0.162 119.994 119.914 -0.137 0.000 2.343 66 V HA -0.280 3.841 4.120 0.001 0.000 0.247 66 V C 2.428 178.469 176.094 -0.089 0.000 1.051 66 V CA 2.345 64.531 62.300 -0.191 0.000 1.036 66 V CB -0.801 30.804 31.823 -0.363 0.000 0.654 66 V HN 0.643 nan 8.190 nan 0.000 0.451 67 E N 0.032 120.206 120.200 -0.043 0.000 2.085 67 E HA -0.218 4.132 4.350 0.001 0.000 0.194 67 E C 2.319 178.911 176.600 -0.013 0.000 0.994 67 E CA 1.330 57.723 56.400 -0.012 0.000 0.801 67 E CB -0.328 29.376 29.700 0.006 0.000 0.743 67 E HN 0.616 nan 8.360 nan 0.000 0.453 68 A N 1.105 123.915 122.820 -0.017 0.000 1.877 68 A HA -0.266 4.055 4.320 0.001 0.000 0.216 68 A C 2.148 179.723 177.584 -0.015 0.000 1.186 68 A CA 1.731 53.761 52.037 -0.011 0.000 0.620 68 A CB -0.502 18.493 19.000 -0.009 0.000 0.822 68 A HN 0.133 nan 8.150 nan 0.000 0.443 69 Q N -0.097 119.685 119.800 -0.030 0.000 2.226 69 Q HA -0.003 4.338 4.340 0.001 0.000 0.204 69 Q C 1.669 177.653 176.000 -0.027 0.000 0.975 69 Q CA 1.258 57.041 55.803 -0.032 0.000 0.866 69 Q CB -0.599 28.108 28.738 -0.052 0.000 0.915 69 Q HN 0.658 nan 8.270 nan 0.000 0.440 70 L N -0.084 121.125 121.223 -0.023 0.000 2.456 70 L HA -0.117 4.224 4.340 0.001 0.000 0.224 70 L C 1.513 178.381 176.870 -0.002 0.000 1.148 70 L CA 0.740 55.574 54.840 -0.010 0.000 0.825 70 L CB -0.148 41.911 42.059 -0.001 0.000 0.937 70 L HN 0.086 nan 8.230 nan 0.000 0.450 71 K N -0.190 120.209 120.400 -0.003 0.000 2.426 71 K HA 0.041 4.362 4.320 0.001 0.000 0.193 71 K C 1.395 177.996 176.600 0.002 0.000 1.028 71 K CA 0.499 56.788 56.287 0.002 0.000 1.047 71 K CB 0.362 32.864 32.500 0.003 0.000 0.821 71 K HN 0.382 nan 8.250 nan 0.000 0.513 72 K N 0.186 120.584 120.400 -0.003 0.000 2.274 72 K HA 0.186 4.507 4.320 0.001 0.000 0.219 72 K C 0.296 176.891 176.600 -0.008 0.000 1.058 72 K CA 0.381 56.666 56.287 -0.003 0.000 0.920 72 K CB 0.253 32.751 32.500 -0.003 0.000 1.124 72 K HN -0.037 nan 8.250 nan 0.000 0.464 73 L N -2.944 118.264 121.223 -0.024 0.000 2.794 73 L HA 0.354 4.695 4.340 0.001 0.000 0.261 73 L C 0.054 176.895 176.870 -0.049 0.000 0.989 73 L CA -0.687 54.134 54.840 -0.031 0.000 0.900 73 L CB 1.729 43.760 42.059 -0.046 0.000 1.473 73 L HN 0.085 nan 8.230 nan 0.000 0.414 74 S N -2.166 113.524 115.700 -0.017 0.000 2.554 74 S HA 0.350 4.820 4.470 0.001 0.000 0.227 74 S C 0.244 174.870 174.600 0.043 0.000 1.050 74 S CA 0.474 58.674 58.200 -0.001 0.000 0.927 74 S CB -0.230 62.992 63.200 0.038 0.000 0.859 74 S HN 1.076 nan 8.310 nan 0.000 0.494 75 H N 0.374 119.411 119.070 -0.056 0.000 3.129 75 H HA 0.348 4.905 4.556 0.001 0.000 0.342 75 H C -0.639 174.705 175.328 0.027 0.000 1.092 75 H CA 0.441 56.487 56.048 -0.004 0.000 1.310 75 H CB 1.851 31.672 29.762 0.098 0.000 1.932 75 H HN 0.223 nan 8.280 nan 0.000 0.507 76 T N 0.397 114.595 114.554 -0.594 0.000 2.993 76 T HA 0.135 4.486 4.350 0.001 0.000 0.260 76 T C 0.471 174.961 174.700 -0.350 0.000 0.939 76 T CA 0.417 62.334 62.100 -0.305 0.000 0.886 76 T CB -0.617 68.234 68.868 -0.029 0.000 1.209 76 T HN 0.814 nan 8.240 nan 0.000 0.518 77 C N 1.690 120.697 119.300 -0.488 0.000 2.173 77 C HA -0.174 4.287 4.460 0.001 0.000 0.274 77 C C 1.029 176.093 174.990 0.124 0.000 0.739 77 C CA -0.541 58.462 59.018 -0.025 0.000 2.963 77 C CB -2.675 25.110 27.740 0.075 0.000 1.685 77 C HN 0.657 nan 8.230 nan 0.000 0.340 78 F N 3.794 123.795 119.950 0.085 0.000 2.120 78 F HA -0.196 4.332 4.527 0.002 0.000 0.300 78 F C 2.219 177.877 175.800 -0.237 0.000 1.095 78 F CA 2.550 60.416 58.000 -0.223 0.000 1.249 78 F CB -0.061 38.597 39.000 -0.568 0.000 0.995 78 F HN 0.872 nan 8.300 nan 0.000 0.480 79 Q N -0.711 119.069 119.800 -0.033 0.000 2.437 79 Q HA -0.086 4.255 4.340 0.001 0.000 0.210 79 Q C 1.716 177.631 176.000 -0.142 0.000 0.972 79 Q CA 1.599 57.343 55.803 -0.098 0.000 0.903 79 Q CB -0.550 28.205 28.738 0.030 0.000 0.967 79 Q HN 0.432 nan 8.270 nan 0.000 0.486 80 V N 0.200 120.043 119.914 -0.119 0.000 2.391 80 V HA 0.064 4.185 4.120 0.001 0.000 0.237 80 V C 0.522 176.528 176.094 -0.148 0.000 1.046 80 V CA 0.567 62.810 62.300 -0.096 0.000 1.053 80 V CB 0.192 31.994 31.823 -0.036 0.000 0.704 80 V HN 0.214 nan 8.190 nan 0.000 0.475 81 L N 0.336 121.466 121.223 -0.155 0.000 2.376 81 L HA 0.756 5.097 4.340 0.001 0.000 0.275 81 L C 0.109 176.814 176.870 -0.274 0.000 0.987 81 L CA -0.474 54.267 54.840 -0.165 0.000 0.828 81 L CB 0.877 42.904 42.059 -0.054 0.000 1.249 81 L HN 0.213 nan 8.230 nan 0.000 0.409 82 A N 3.595 126.097 122.820 -0.531 0.000 2.267 82 A HA 0.721 5.041 4.320 0.001 0.000 0.271 82 A C -1.190 176.232 177.584 -0.271 0.000 1.131 82 A CA 0.100 51.559 52.037 -0.962 0.000 0.818 82 A CB 0.373 18.656 19.000 -1.194 0.000 1.118 82 A HN 0.687 nan 8.150 nan 0.000 0.501 83 Y N -3.925 116.426 120.300 0.085 0.000 2.592 83 Y HA 0.513 5.063 4.550 0.001 0.000 0.334 83 Y C 0.334 176.379 175.900 0.242 0.000 1.136 83 Y CA -0.892 57.297 58.100 0.147 0.000 1.042 83 Y CB 0.726 39.272 38.460 0.143 0.000 1.325 83 Y HN 0.688 nan 8.280 nan 0.000 0.457 84 E N 0.840 121.222 120.200 0.304 0.000 2.110 84 E HA -0.084 4.267 4.350 0.001 0.000 0.193 84 E C -1.155 175.591 176.600 0.243 0.000 0.988 84 E CA 1.382 57.915 56.400 0.222 0.000 0.804 84 E CB -0.861 28.929 29.700 0.150 0.000 0.745 84 E HN 0.583 nan 8.360 nan 0.000 0.458 85 P HA -0.182 nan 4.420 nan 0.000 0.217 85 P C 1.017 178.466 177.300 0.249 0.000 1.150 85 P CA 1.041 64.289 63.100 0.247 0.000 0.832 85 P CB -0.096 31.747 31.700 0.239 0.000 0.787 86 Y N 0.138 120.533 120.300 0.159 0.000 2.114 86 Y HA -0.218 4.333 4.550 0.001 0.000 0.284 86 Y C 2.169 177.985 175.900 -0.140 0.000 1.143 86 Y CA 0.863 58.906 58.100 -0.095 0.000 1.135 86 Y CB -0.780 37.356 38.460 -0.540 0.000 0.980 86 Y HN -0.208 nan 8.280 nan 0.000 0.499 87 L N 1.121 122.498 121.223 0.257 0.000 1.989 87 L HA -0.245 4.096 4.340 0.001 0.000 0.211 87 L C 2.313 179.251 176.870 0.113 0.000 1.071 87 L CA 2.506 57.457 54.840 0.185 0.000 0.749 87 L CB -1.108 41.055 42.059 0.174 0.000 0.890 87 L HN 0.444 nan 8.230 nan 0.000 0.431 88 E N -0.892 119.369 120.200 0.101 0.000 2.085 88 E HA -0.280 4.071 4.350 0.001 0.000 0.194 88 E C 2.211 178.828 176.600 0.029 0.000 0.994 88 E CA 1.617 58.053 56.400 0.060 0.000 0.801 88 E CB -0.278 29.458 29.700 0.060 0.000 0.743 88 E HN 0.465 nan 8.360 nan 0.000 0.453 89 L N 0.668 121.903 121.223 0.019 0.000 2.046 89 L HA -0.164 4.177 4.340 0.001 0.000 0.208 89 L C 2.294 179.142 176.870 -0.036 0.000 1.077 89 L CA 1.617 56.442 54.840 -0.025 0.000 0.747 89 L CB -0.714 41.318 42.059 -0.044 0.000 0.896 89 L HN 0.304 nan 8.230 nan 0.000 0.432 90 C N -0.121 119.169 119.300 -0.017 0.000 2.413 90 C HA -0.159 4.302 4.460 0.001 0.000 0.276 90 C C 2.569 177.564 174.990 0.009 0.000 1.248 90 C CA 1.038 60.060 59.018 0.006 0.000 1.742 90 C CB -0.951 26.819 27.740 0.050 0.000 2.017 90 C HN 0.596 nan 8.230 nan 0.000 0.481 91 E N 0.558 120.768 120.200 0.018 0.000 2.058 91 E HA -0.193 4.157 4.350 0.001 0.000 0.194 91 E C 1.940 178.532 176.600 -0.014 0.000 0.997 91 E CA 1.313 57.719 56.400 0.010 0.000 0.801 91 E CB -0.186 29.526 29.700 0.019 0.000 0.746 91 E HN 0.650 nan 8.360 nan 0.000 0.450 92 I N 0.594 121.149 120.570 -0.026 0.000 2.252 92 I HA -0.263 3.908 4.170 0.001 0.000 0.245 92 I C 2.337 178.410 176.117 -0.073 0.000 1.102 92 I CA 0.714 61.987 61.300 -0.046 0.000 1.385 92 I CB -0.166 37.804 38.000 -0.050 0.000 1.064 92 I HN 0.178 nan 8.210 nan 0.000 0.414 93 M N 0.227 119.768 119.600 -0.098 0.000 2.159 93 M HA -0.159 4.322 4.480 0.001 0.000 0.263 93 M C 1.900 178.138 176.300 -0.104 0.000 1.063 93 M CA 1.502 56.713 55.300 -0.148 0.000 1.110 93 M CB -1.600 30.872 32.600 -0.215 0.000 1.374 93 M HN 0.264 nan 8.290 nan 0.000 0.411 94 N N 0.388 119.054 118.700 -0.058 0.000 2.205 94 N HA -0.155 4.586 4.740 0.001 0.000 0.186 94 N C 1.744 177.208 175.510 -0.077 0.000 1.015 94 N CA 1.061 54.082 53.050 -0.048 0.000 0.862 94 N CB -0.176 38.303 38.487 -0.014 0.000 0.986 94 N HN 0.428 nan 8.380 nan 0.000 0.429 95 Q N 0.546 120.304 119.800 -0.070 0.000 2.123 95 Q HA 0.099 4.439 4.340 0.001 0.000 0.196 95 Q C 1.728 177.678 176.000 -0.083 0.000 0.958 95 Q CA 0.764 56.522 55.803 -0.075 0.000 0.841 95 Q CB 0.031 28.738 28.738 -0.052 0.000 0.915 95 Q HN 0.303 nan 8.270 nan 0.000 0.455 96 K N 0.412 120.769 120.400 -0.072 0.000 2.155 96 K HA 0.061 4.382 4.320 0.001 0.000 0.203 96 K C 0.737 177.325 176.600 -0.021 0.000 1.052 96 K CA 0.157 56.422 56.287 -0.037 0.000 0.948 96 K CB -0.062 32.427 32.500 -0.018 0.000 0.728 96 K HN 0.029 nan 8.250 nan 0.000 0.448 97 V N 5.372 125.205 119.914 -0.135 0.000 2.585 97 V HA 0.023 4.144 4.120 0.001 0.000 0.296 97 V C -1.995 173.971 176.094 -0.213 0.000 1.035 97 V CA -1.361 60.761 62.300 -0.295 0.000 1.084 97 V CB 0.656 32.233 31.823 -0.410 0.000 0.953 97 V HN 0.155 nan 8.190 nan 0.000 0.483 98 P HA 0.313 nan 4.420 nan 0.000 0.267 98 P C 0.045 177.186 177.300 -0.264 0.000 1.200 98 P CA 0.418 63.427 63.100 -0.153 0.000 0.772 98 P CB 0.864 32.528 31.700 -0.059 0.000 0.855 99 G N 1.510 110.079 108.800 -0.386 0.000 2.693 99 G HA2 -0.014 3.947 3.960 0.001 0.000 0.290 99 G HA3 -0.014 3.947 3.960 0.001 0.000 0.290 99 G C -1.110 173.173 174.900 -1.029 0.000 1.378 99 G CA -0.755 43.824 45.100 -0.869 0.000 1.120 99 G HN 0.546 nan 8.290 nan 0.000 0.609 100 D N 1.544 121.585 120.400 -0.599 0.000 2.713 100 D HA 0.560 5.201 4.640 0.001 0.000 0.229 100 D C 0.195 176.399 176.300 -0.160 0.000 1.136 100 D CA 0.192 54.011 54.000 -0.301 0.000 1.010 100 D CB -0.704 40.044 40.800 -0.085 0.000 1.084 100 D HN 0.594 nan 8.370 nan 0.000 0.495 101 F N -0.851 119.092 119.950 -0.012 0.000 2.807 101 F HA 0.633 5.161 4.527 0.002 0.000 0.316 101 F C -0.771 175.023 175.800 -0.011 0.000 1.162 101 F CA -1.983 56.010 58.000 -0.011 0.000 0.910 101 F CB 0.103 39.097 39.000 -0.011 0.000 1.314 101 F HN -0.060 nan 8.300 nan 0.000 0.454 102 A N 1.651 124.633 122.820 0.269 0.000 2.511 102 A HA 0.597 4.917 4.320 0.001 0.000 0.242 102 A C -0.323 177.397 177.584 0.227 0.000 1.069 102 A CA -0.179 51.955 52.037 0.162 0.000 0.763 102 A CB 0.051 19.118 19.000 0.112 0.000 1.001 102 A HN 0.710 nan 8.150 nan 0.000 0.498 103 K N 1.277 121.749 120.400 0.120 0.000 2.444 103 K HA 0.603 4.924 4.320 0.001 0.000 0.252 103 K C -1.023 175.619 176.600 0.071 0.000 0.993 103 K CA -0.805 55.552 56.287 0.117 0.000 0.847 103 K CB 2.509 35.047 32.500 0.063 0.000 1.340 103 K HN 0.728 nan 8.250 nan 0.000 0.446 104 K N 0.518 120.960 120.400 0.069 0.000 2.482 104 K HA 0.509 4.830 4.320 0.001 0.000 0.257 104 K C -1.179 175.458 176.600 0.062 0.000 0.969 104 K CA -0.841 55.481 56.287 0.059 0.000 0.842 104 K CB 2.447 34.980 32.500 0.056 0.000 1.359 104 K HN 0.449 nan 8.250 nan 0.000 0.441 105 T N 1.453 116.047 114.554 0.067 0.000 2.893 105 T HA 0.430 4.780 4.350 0.001 0.000 0.293 105 T C -1.512 173.229 174.700 0.069 0.000 1.027 105 T CA -0.685 61.462 62.100 0.079 0.000 0.988 105 T CB 1.302 70.230 68.868 0.101 0.000 1.043 105 T HN 0.376 nan 8.240 nan 0.000 0.461 106 L N 3.611 124.855 121.223 0.036 0.000 2.329 106 L HA 0.732 5.072 4.340 0.001 0.000 0.279 106 L C -1.540 175.278 176.870 -0.088 0.000 1.014 106 L CA -0.595 54.262 54.840 0.029 0.000 0.814 106 L CB 0.936 43.004 42.059 0.016 0.000 1.257 106 L HN 0.593 nan 8.230 nan 0.000 0.424 107 L N 5.703 126.816 121.223 -0.184 0.000 2.325 107 L HA 0.760 5.101 4.340 0.001 0.000 0.278 107 L C 0.075 176.876 176.870 -0.115 0.000 1.023 107 L CA -0.751 53.895 54.840 -0.324 0.000 0.811 107 L CB 1.683 43.254 42.059 -0.814 0.000 1.249 107 L HN 0.692 nan 8.230 nan 0.000 0.431 108 V N -0.655 119.200 119.914 -0.099 0.000 5.269 108 V HA 0.575 4.696 4.120 0.001 0.000 0.294 108 V C 0.194 176.305 176.094 0.029 0.000 1.520 108 V CA -0.135 62.165 62.300 0.001 0.000 0.796 108 V CB 1.532 33.346 31.823 -0.017 0.000 1.354 108 V HN 0.724 nan 8.190 nan 0.000 0.438 109 T N 0.410 114.997 114.554 0.055 0.000 3.115 109 T HA 0.281 4.631 4.350 0.001 0.000 0.256 109 T C 0.619 175.352 174.700 0.056 0.000 0.970 109 T CA 0.897 63.047 62.100 0.084 0.000 1.010 109 T CB 0.263 69.227 68.868 0.159 0.000 1.151 109 T HN 1.107 nan 8.240 nan 0.000 0.479 110 T N -0.965 113.616 114.554 0.045 0.000 2.942 110 T HA 0.634 4.985 4.350 0.001 0.000 0.289 110 T C 1.560 176.269 174.700 0.016 0.000 1.044 110 T CA -0.026 62.097 62.100 0.039 0.000 1.023 110 T CB 1.639 70.538 68.868 0.053 0.000 1.123 110 T HN 0.052 nan 8.240 nan 0.000 0.512 111 G N 0.748 109.566 108.800 0.031 0.000 2.422 111 G HA2 -0.154 3.807 3.960 0.001 0.000 0.218 111 G HA3 -0.154 3.807 3.960 0.001 0.000 0.218 111 G C 1.597 176.516 174.900 0.033 0.000 1.146 111 G CA 0.919 46.038 45.100 0.032 0.000 0.769 111 G HN 0.710 nan 8.290 nan 0.000 0.547 112 S N 0.549 116.273 115.700 0.040 0.000 2.356 112 S HA -0.101 4.370 4.470 0.001 0.000 0.223 112 S C 2.146 176.762 174.600 0.027 0.000 1.032 112 S CA 1.420 59.640 58.200 0.034 0.000 1.005 112 S CB -0.246 62.973 63.200 0.031 0.000 0.867 112 S HN 0.586 nan 8.310 nan 0.000 0.449 113 E N 1.172 121.385 120.200 0.021 0.000 2.110 113 E HA -0.106 4.245 4.350 0.001 0.000 0.193 113 E C 2.373 178.961 176.600 -0.021 0.000 0.988 113 E CA 0.933 57.338 56.400 0.009 0.000 0.804 113 E CB -0.257 29.454 29.700 0.017 0.000 0.745 113 E HN 0.513 nan 8.360 nan 0.000 0.458 114 A N 1.010 123.803 122.820 -0.046 0.000 1.877 114 A HA -0.161 4.160 4.320 0.001 0.000 0.216 114 A C 2.520 180.071 177.584 -0.055 0.000 1.186 114 A CA 1.341 53.320 52.037 -0.097 0.000 0.620 114 A CB -0.723 18.180 19.000 -0.162 0.000 0.822 114 A HN 0.120 nan 8.150 nan 0.000 0.443 115 V N 0.305 120.212 119.914 -0.012 0.000 2.343 115 V HA -0.224 3.897 4.120 0.001 0.000 0.247 115 V C 2.527 178.623 176.094 0.004 0.000 1.051 115 V CA 2.043 64.346 62.300 0.005 0.000 1.036 115 V CB -0.797 31.048 31.823 0.038 0.000 0.654 115 V HN 0.526 nan 8.190 nan 0.000 0.451 116 E N 0.679 120.884 120.200 0.009 0.000 2.058 116 E HA -0.246 4.105 4.350 0.001 0.000 0.194 116 E C 2.055 178.621 176.600 -0.056 0.000 0.997 116 E CA 1.828 58.218 56.400 -0.016 0.000 0.801 116 E CB -0.421 29.274 29.700 -0.007 0.000 0.746 116 E HN 0.691 nan 8.360 nan 0.000 0.450 117 N N 0.644 119.318 118.700 -0.044 0.000 2.188 117 N HA -0.104 4.637 4.740 0.001 0.000 0.184 117 N C 1.720 177.203 175.510 -0.045 0.000 1.018 117 N CA 1.273 54.295 53.050 -0.047 0.000 0.858 117 N CB -0.154 38.308 38.487 -0.041 0.000 0.989 117 N HN 0.142 nan 8.380 nan 0.000 0.426 118 A N 0.298 123.093 122.820 -0.042 0.000 1.902 118 A HA -0.101 4.219 4.320 0.001 0.000 0.217 118 A C 2.287 179.855 177.584 -0.025 0.000 1.181 118 A CA 1.252 53.272 52.037 -0.029 0.000 0.623 118 A CB -0.786 18.201 19.000 -0.022 0.000 0.818 118 A HN 0.118 nan 8.150 nan 0.000 0.443 119 V N 0.150 120.043 119.914 -0.034 0.000 2.358 119 V HA -0.248 3.873 4.120 0.001 0.000 0.246 119 V C 2.420 178.468 176.094 -0.076 0.000 1.047 119 V CA 2.237 64.512 62.300 -0.041 0.000 1.035 119 V CB -0.651 31.143 31.823 -0.049 0.000 0.658 119 V HN 0.539 nan 8.190 nan 0.000 0.452 120 K N -0.147 120.192 120.400 -0.102 0.000 2.063 120 K HA -0.146 4.175 4.320 0.001 0.000 0.208 120 K C 2.049 178.617 176.600 -0.054 0.000 1.048 120 K CA 1.661 57.891 56.287 -0.094 0.000 0.928 120 K CB -0.340 32.109 32.500 -0.086 0.000 0.713 120 K HN 0.394 nan 8.250 nan 0.000 0.442 121 I N 1.003 121.550 120.570 -0.039 0.000 2.179 121 I HA -0.273 3.898 4.170 0.001 0.000 0.242 121 I C 2.551 178.656 176.117 -0.019 0.000 1.088 121 I CA 1.110 62.396 61.300 -0.024 0.000 1.357 121 I CB -0.383 37.608 38.000 -0.016 0.000 1.051 121 I HN 0.141 nan 8.210 nan 0.000 0.409 122 A N 0.881 123.691 122.820 -0.016 0.000 1.908 122 A HA -0.228 4.093 4.320 0.001 0.000 0.218 122 A C 2.378 179.957 177.584 -0.008 0.000 1.181 122 A CA 1.639 53.672 52.037 -0.006 0.000 0.627 122 A CB -0.611 18.393 19.000 0.008 0.000 0.818 122 A HN 0.328 nan 8.150 nan 0.000 0.445 123 R N -0.574 119.916 120.500 -0.017 0.000 2.081 123 R HA -0.079 4.262 4.340 0.001 0.000 0.235 123 R C 2.467 178.756 176.300 -0.019 0.000 1.131 123 R CA 1.266 57.355 56.100 -0.017 0.000 0.960 123 R CB -0.477 29.803 30.300 -0.033 0.000 0.856 123 R HN 0.513 nan 8.270 nan 0.000 0.436 124 A N 1.134 123.940 122.820 -0.023 0.000 1.930 124 A HA -0.050 4.271 4.320 0.001 0.000 0.217 124 A C 2.331 179.905 177.584 -0.017 0.000 1.175 124 A CA 1.540 53.565 52.037 -0.020 0.000 0.627 124 A CB -0.508 18.480 19.000 -0.020 0.000 0.815 124 A HN 0.392 nan 8.150 nan 0.000 0.443 125 A N -0.483 122.327 122.820 -0.017 0.000 1.929 125 A HA -0.025 4.295 4.320 0.001 0.000 0.216 125 A C 2.301 179.874 177.584 -0.018 0.000 1.176 125 A CA 2.248 54.274 52.037 -0.018 0.000 0.628 125 A CB -0.897 18.092 19.000 -0.019 0.000 0.816 125 A HN 0.737 nan 8.150 nan 0.000 0.444 126 T N -4.902 109.643 114.554 -0.015 0.000 3.022 126 T HA 0.159 4.510 4.350 0.001 0.000 0.250 126 T C 0.515 175.206 174.700 -0.015 0.000 1.060 126 T CA 0.459 62.550 62.100 -0.014 0.000 1.013 126 T CB -0.002 68.862 68.868 -0.007 0.000 0.982 126 T HN 0.311 nan 8.240 nan 0.000 0.508 127 K N 1.381 121.772 120.400 -0.014 0.000 3.150 127 K HA -0.136 4.185 4.320 0.001 0.000 0.267 127 K C -0.501 176.091 176.600 -0.014 0.000 1.028 127 K CA 0.568 56.846 56.287 -0.015 0.000 0.753 127 K CB -1.535 30.956 32.500 -0.016 0.000 1.288 127 K HN 0.641 nan 8.250 nan 0.000 0.473 128 R N -1.216 119.278 120.500 -0.009 0.000 2.808 128 R HA 0.415 4.756 4.340 0.001 0.000 0.272 128 R C 0.623 176.928 176.300 0.009 0.000 0.995 128 R CA -0.745 55.352 56.100 -0.005 0.000 0.917 128 R CB 1.447 31.745 30.300 -0.003 0.000 1.217 128 R HN -0.057 nan 8.270 nan 0.000 0.471 129 S N -0.423 115.287 115.700 0.017 0.000 2.520 129 S HA 0.151 4.622 4.470 0.001 0.000 0.219 129 S C 0.629 175.293 174.600 0.106 0.000 1.028 129 S CA -0.051 58.176 58.200 0.045 0.000 0.921 129 S CB 0.958 64.181 63.200 0.039 0.000 0.844 129 S HN 0.721 nan 8.310 nan 0.000 0.495 130 G N 1.776 110.646 108.800 0.117 0.000 2.451 130 G HA2 0.533 4.494 3.960 0.001 0.000 0.303 130 G HA3 0.533 4.494 3.960 0.001 0.000 0.303 130 G C -0.354 174.676 174.900 0.218 0.000 1.166 130 G CA -0.264 44.971 45.100 0.225 0.000 0.884 130 G HN 0.282 nan 8.290 nan 0.000 0.514 131 T N -2.065 112.641 114.554 0.253 0.000 2.896 131 T HA 0.697 5.048 4.350 0.001 0.000 0.297 131 T C -0.613 174.186 174.700 0.166 0.000 1.108 131 T CA -0.743 61.468 62.100 0.184 0.000 1.004 131 T CB 1.749 70.723 68.868 0.176 0.000 1.159 131 T HN 0.365 nan 8.240 nan 0.000 0.499 132 I N 1.290 121.912 120.570 0.086 0.000 2.509 132 I HA 0.723 4.894 4.170 0.001 0.000 0.293 132 I C 0.048 176.113 176.117 -0.086 0.000 1.020 132 I CA -1.014 60.279 61.300 -0.011 0.000 1.088 132 I CB 1.810 39.754 38.000 -0.092 0.000 1.267 132 I HN 1.069 nan 8.210 nan 0.000 0.430 133 A N 5.336 128.070 122.820 -0.143 0.000 2.485 133 A HA 0.873 5.194 4.320 0.001 0.000 0.292 133 A C -1.432 176.056 177.584 -0.161 0.000 1.147 133 A CA -0.425 51.597 52.037 -0.025 0.000 0.750 133 A CB 1.189 20.235 19.000 0.076 0.000 1.331 133 A HN 0.472 nan 8.150 nan 0.000 0.419 134 F N 0.601 120.673 119.950 0.203 0.000 2.450 134 F HA 0.506 5.034 4.527 0.002 0.000 0.328 134 F C 1.377 177.258 175.800 0.134 0.000 1.068 134 F CA -0.048 58.071 58.000 0.197 0.000 1.007 134 F CB 1.651 40.869 39.000 0.363 0.000 1.251 134 F HN 0.584 nan 8.300 nan 0.000 0.492 135 S N 0.218 116.093 115.700 0.293 0.000 2.549 135 S HA 0.388 4.859 4.470 0.001 0.000 0.286 135 S C 1.018 175.693 174.600 0.124 0.000 1.314 135 S CA -0.084 58.209 58.200 0.155 0.000 1.062 135 S CB 0.513 63.786 63.200 0.122 0.000 0.865 135 S HN 1.520 nan 8.310 nan 0.000 0.498 136 G N 1.407 110.235 108.800 0.046 0.000 2.184 136 G HA2 -0.117 3.843 3.960 0.001 0.000 0.264 136 G HA3 -0.117 3.843 3.960 0.001 0.000 0.264 136 G C 0.421 175.323 174.900 0.003 0.000 0.975 136 G CA 0.182 45.285 45.100 0.004 0.000 0.642 136 G HN 1.680 nan 8.290 nan 0.000 0.536 137 A N -0.669 122.172 122.820 0.035 0.000 2.448 137 A HA 0.592 4.913 4.320 0.001 0.000 0.239 137 A C -0.279 177.227 177.584 -0.130 0.000 1.080 137 A CA 0.734 52.739 52.037 -0.054 0.000 0.779 137 A CB 0.492 19.559 19.000 0.111 0.000 1.026 137 A HN 1.549 nan 8.150 nan 0.000 0.499 138 Y N -0.415 119.584 120.300 -0.501 0.000 2.386 138 Y HA 0.517 5.068 4.550 0.001 0.000 0.334 138 Y C 0.028 175.559 175.900 -0.615 0.000 1.002 138 Y CA -0.325 57.513 58.100 -0.437 0.000 1.068 138 Y CB 1.726 39.994 38.460 -0.319 0.000 1.203 138 Y HN 0.852 nan 8.280 nan 0.000 0.443 139 H N 2.948 121.699 119.070 -0.531 0.000 3.398 139 H HA 0.543 5.100 4.556 0.001 0.000 0.260 139 H C 0.425 175.555 175.328 -0.330 0.000 1.189 139 H CA 0.078 55.970 56.048 -0.260 0.000 1.145 139 H CB 1.430 31.117 29.762 -0.125 0.000 1.599 139 H HN 0.899 nan 8.280 nan 0.000 0.615 140 G N 0.424 108.824 108.800 -0.666 0.000 2.353 140 G HA2 -0.075 3.886 3.960 0.001 0.000 0.424 140 G HA3 -0.075 3.886 3.960 0.001 0.000 0.424 140 G C -0.729 173.961 174.900 -0.351 0.000 1.320 140 G CA -1.049 43.840 45.100 -0.351 0.000 0.995 140 G HN 0.172 nan 8.290 nan 0.000 0.580 141 R N -0.092 120.330 120.500 -0.129 0.000 2.546 141 R HA 0.275 4.616 4.340 0.001 0.000 0.320 141 R C 1.148 177.428 176.300 -0.033 0.000 1.021 141 R CA 0.507 56.565 56.100 -0.070 0.000 1.088 141 R CB 0.597 30.901 30.300 0.007 0.000 1.278 141 R HN 0.777 nan 8.270 nan 0.000 0.557 142 T N -3.281 111.270 114.554 -0.005 0.000 2.847 142 T HA 0.127 4.477 4.350 0.001 0.000 0.279 142 T C 1.023 175.765 174.700 0.069 0.000 0.984 142 T CA -0.516 61.620 62.100 0.060 0.000 0.988 142 T CB 1.184 70.112 68.868 0.100 0.000 1.040 142 T HN 0.094 nan 8.240 nan 0.000 0.528 143 H N -0.818 118.276 119.070 0.040 0.000 2.289 143 H HA -0.054 4.503 4.556 0.001 0.000 0.296 143 H C 1.690 177.036 175.328 0.031 0.000 1.091 143 H CA 2.675 58.742 56.048 0.032 0.000 1.274 143 H CB -0.489 29.300 29.762 0.044 0.000 1.364 143 H HN 0.739 nan 8.280 nan 0.000 0.490 144 Y N 1.046 121.407 120.300 0.103 0.000 2.200 144 Y HA -0.227 4.324 4.550 0.001 0.000 0.290 144 Y C 2.644 178.539 175.900 -0.009 0.000 1.137 144 Y CA 1.762 59.880 58.100 0.029 0.000 1.163 144 Y CB -0.293 38.175 38.460 0.012 0.000 0.988 144 Y HN 0.350 nan 8.280 nan 0.000 0.518 145 T N -1.997 112.611 114.554 0.089 0.000 2.995 145 T HA -0.114 4.237 4.350 0.001 0.000 0.269 145 T C 1.893 176.514 174.700 -0.132 0.000 1.091 145 T CA 1.168 63.258 62.100 -0.016 0.000 1.128 145 T CB -0.630 68.238 68.868 0.001 0.000 0.891 145 T HN 0.358 nan 8.240 nan 0.000 0.492 146 L N 0.600 121.750 121.223 -0.122 0.000 2.156 146 L HA 0.115 4.456 4.340 0.001 0.000 0.208 146 L C 3.235 180.026 176.870 -0.132 0.000 1.095 146 L CA 1.022 55.780 54.840 -0.137 0.000 0.770 146 L CB -0.644 41.354 42.059 -0.101 0.000 0.914 146 L HN 0.369 nan 8.230 nan 0.000 0.439 147 A N 0.154 122.866 122.820 -0.179 0.000 1.898 147 A HA -0.147 4.173 4.320 0.001 0.000 0.216 147 A C 2.217 179.663 177.584 -0.230 0.000 1.181 147 A CA 1.269 53.166 52.037 -0.233 0.000 0.620 147 A CB -0.620 18.152 19.000 -0.380 0.000 0.819 147 A HN 0.338 nan 8.150 nan 0.000 0.442 148 L N -0.210 120.861 121.223 -0.254 0.000 2.083 148 L HA -0.078 4.263 4.340 0.001 0.000 0.209 148 L C 0.806 177.713 176.870 0.062 0.000 1.083 148 L CA 0.626 55.399 54.840 -0.111 0.000 0.752 148 L CB -0.822 41.181 42.059 -0.094 0.000 0.899 148 L HN 0.191 nan 8.230 nan 0.000 0.433 149 T N 0.670 115.208 114.554 -0.026 0.000 2.867 149 T HA 0.116 4.467 4.350 0.001 0.000 0.297 149 T C 0.851 175.545 174.700 -0.010 0.000 0.989 149 T CA 0.118 62.164 62.100 -0.091 0.000 1.159 149 T CB 0.869 69.556 68.868 -0.303 0.000 0.928 149 T HN 0.369 nan 8.240 nan 0.000 0.538 150 G N 3.318 112.136 108.800 0.030 0.000 3.541 150 G HA2 0.397 4.357 3.960 0.001 0.000 0.253 150 G HA3 0.397 4.357 3.960 0.001 0.000 0.253 150 G C 0.014 174.946 174.900 0.054 0.000 1.017 150 G CA -0.323 44.803 45.100 0.042 0.000 1.832 150 G HN 0.622 nan 8.290 nan 0.000 0.649 151 K N 0.521 120.978 120.400 0.095 0.000 2.592 151 K HA 0.258 4.579 4.320 0.001 0.000 0.265 151 K C 0.157 176.846 176.600 0.150 0.000 1.006 151 K CA -0.648 55.714 56.287 0.126 0.000 0.907 151 K CB 1.234 33.895 32.500 0.268 0.000 1.309 151 K HN -0.101 nan 8.250 nan 0.000 0.452 152 V N 1.968 121.910 119.914 0.047 0.000 2.446 152 V HA 0.019 4.140 4.120 0.001 0.000 0.244 152 V C 0.612 176.694 176.094 -0.019 0.000 1.039 152 V CA 0.827 63.143 62.300 0.028 0.000 1.045 152 V CB -0.299 31.523 31.823 -0.000 0.000 0.681 152 V HN 0.731 nan 8.190 nan 0.000 0.459 153 N N 1.185 119.846 118.700 -0.065 0.000 2.426 153 N HA 0.236 4.977 4.740 0.001 0.000 0.275 153 N C -1.715 173.627 175.510 -0.280 0.000 1.019 153 N CA -1.989 50.990 53.050 -0.120 0.000 0.941 153 N CB 1.966 40.422 38.487 -0.051 0.000 1.123 153 N HN 0.047 nan 8.380 nan 0.000 0.486 154 P HA 0.042 nan 4.420 nan 0.000 0.259 154 P C 0.568 177.764 177.300 -0.174 0.000 1.233 154 P CA 0.386 63.314 63.100 -0.286 0.000 0.827 154 P CB 0.171 31.720 31.700 -0.251 0.000 1.154 155 Y N 2.110 122.436 120.300 0.043 0.000 2.181 155 Y HA -0.197 4.353 4.550 0.001 0.000 0.284 155 Y C 1.940 177.830 175.900 -0.016 0.000 1.179 155 Y CA 1.414 59.536 58.100 0.037 0.000 1.179 155 Y CB -0.807 37.697 38.460 0.073 0.000 0.973 155 Y HN 0.132 nan 8.280 nan 0.000 0.519 156 S N -1.620 114.140 115.700 0.100 0.000 3.031 156 S HA 0.606 5.077 4.470 0.001 0.000 0.253 156 S C 0.146 174.742 174.600 -0.007 0.000 0.996 156 S CA -0.405 57.806 58.200 0.018 0.000 1.098 156 S CB -0.068 63.129 63.200 -0.005 0.000 1.042 156 S HN 0.300 nan 8.310 nan 0.000 0.593 157 A N 1.047 123.859 122.820 -0.014 0.000 2.477 157 A HA 0.593 4.913 4.320 0.001 0.000 0.246 157 A C 1.592 179.164 177.584 -0.020 0.000 1.078 157 A CA 0.390 52.413 52.037 -0.024 0.000 0.770 157 A CB -0.889 18.086 19.000 -0.041 0.000 1.011 157 A HN 1.730 nan 8.150 nan 0.000 0.494 158 G N 1.415 110.205 108.800 -0.017 0.000 2.189 158 G HA2 -0.309 3.652 3.960 0.001 0.000 0.267 158 G HA3 -0.309 3.652 3.960 0.001 0.000 0.267 158 G C 0.631 175.525 174.900 -0.010 0.000 0.975 158 G CA 0.994 46.086 45.100 -0.013 0.000 0.644 158 G HN 0.722 nan 8.290 nan 0.000 0.537 159 M N 0.405 119.997 119.600 -0.014 0.000 2.428 159 M HA 0.423 4.904 4.480 0.001 0.000 0.239 159 M C 1.469 177.771 176.300 0.002 0.000 1.121 159 M CA 1.098 56.391 55.300 -0.012 0.000 1.019 159 M CB 0.427 33.002 32.600 -0.041 0.000 1.485 159 M HN 1.328 nan 8.290 nan 0.000 0.484 160 G N 1.133 109.932 108.800 -0.000 0.000 2.728 160 G HA2 -0.193 3.768 3.960 0.001 0.000 0.294 160 G HA3 -0.193 3.768 3.960 0.001 0.000 0.294 160 G C -0.792 174.109 174.900 0.001 0.000 1.342 160 G CA -1.114 43.989 45.100 0.004 0.000 0.866 160 G HN 0.210 nan 8.290 nan 0.000 0.534 161 L N 0.766 121.988 121.223 -0.000 0.000 2.380 161 L HA 0.381 4.722 4.340 0.001 0.000 0.273 161 L C 1.369 178.240 176.870 0.002 0.000 1.138 161 L CA -0.787 54.046 54.840 -0.011 0.000 0.832 161 L CB 0.772 42.817 42.059 -0.023 0.000 1.124 161 L HN 0.515 nan 8.230 nan 0.000 0.454 162 M N 2.857 122.448 119.600 -0.014 0.000 2.163 162 M HA 0.296 4.777 4.480 0.001 0.000 0.305 162 M C -1.898 174.384 176.300 -0.031 0.000 1.166 162 M CA -2.081 53.222 55.300 0.004 0.000 1.132 162 M CB -0.690 31.884 32.600 -0.042 0.000 1.413 162 M HN 0.243 nan 8.290 nan 0.000 0.478 163 P HA 0.010 nan 4.420 nan 0.000 0.263 163 P C 0.100 177.311 177.300 -0.148 0.000 1.168 163 P CA 0.359 63.428 63.100 -0.051 0.000 0.759 163 P CB 0.151 31.878 31.700 0.044 0.000 0.782 164 G N 1.662 110.343 108.800 -0.199 0.000 2.588 164 G HA2 0.165 4.126 3.960 0.001 0.000 0.278 164 G HA3 0.165 4.126 3.960 0.001 0.000 0.278 164 G C -0.302 174.434 174.900 -0.274 0.000 1.307 164 G CA -0.261 44.655 45.100 -0.306 0.000 1.016 164 G HN 0.708 nan 8.290 nan 0.000 0.503 165 H N -3.180 115.722 119.070 -0.279 0.000 2.903 165 H HA -0.146 4.411 4.556 0.001 0.000 0.285 165 H C -0.343 174.714 175.328 -0.452 0.000 1.231 165 H CA 0.483 56.346 56.048 -0.309 0.000 1.135 165 H CB -2.204 27.578 29.762 0.034 0.000 1.328 165 H HN 0.294 nan 8.280 nan 0.000 0.388 166 V N 1.314 120.868 119.914 -0.601 0.000 2.483 166 V HA 0.388 4.509 4.120 0.001 0.000 0.297 166 V C -0.008 175.701 176.094 -0.642 0.000 1.027 166 V CA -0.775 61.258 62.300 -0.444 0.000 0.855 166 V CB 1.402 32.994 31.823 -0.385 0.000 0.995 166 V HN 0.179 nan 8.190 nan 0.000 0.424 167 Y N 3.147 123.418 120.300 -0.048 0.000 2.457 167 Y HA 0.760 5.311 4.550 0.001 0.000 0.333 167 Y C 0.355 176.181 175.900 -0.124 0.000 1.119 167 Y CA -0.936 57.121 58.100 -0.071 0.000 1.143 167 Y CB 1.353 39.774 38.460 -0.065 0.000 1.230 167 Y HN 0.486 nan 8.280 nan 0.000 0.469 168 R N 1.547 122.056 120.500 0.015 0.000 2.310 168 R HA 0.750 5.091 4.340 0.001 0.000 0.324 168 R C -1.125 175.103 176.300 -0.121 0.000 0.955 168 R CA -0.373 55.686 56.100 -0.068 0.000 0.830 168 R CB 0.457 30.739 30.300 -0.030 0.000 1.154 168 R HN 0.802 nan 8.270 nan 0.000 0.458 169 A N 4.369 127.023 122.820 -0.277 0.000 2.269 169 A HA 0.624 4.945 4.320 0.001 0.000 0.327 169 A C -0.832 176.728 177.584 -0.041 0.000 1.112 169 A CA -0.773 51.087 52.037 -0.295 0.000 0.865 169 A CB 0.777 19.342 19.000 -0.725 0.000 1.227 169 A HN 0.666 nan 8.150 nan 0.000 0.498 170 L N 0.900 122.200 121.223 0.128 0.000 2.275 170 L HA 0.278 4.619 4.340 0.001 0.000 0.288 170 L C -0.689 176.426 176.870 0.409 0.000 1.046 170 L CA -0.401 54.576 54.840 0.228 0.000 0.805 170 L CB 0.868 42.999 42.059 0.119 0.000 1.193 170 L HN 0.764 nan 8.230 nan 0.000 0.426 171 Y N 5.986 126.435 120.300 0.249 0.000 2.377 171 Y HA 0.200 4.751 4.550 0.001 0.000 0.330 171 Y C -1.781 174.000 175.900 -0.199 0.000 1.108 171 Y CA -1.738 56.358 58.100 -0.007 0.000 1.308 171 Y CB 0.851 39.293 38.460 -0.030 0.000 1.216 171 Y HN 0.351 nan 8.280 nan 0.000 0.518 172 P HA -0.003 nan 4.420 nan 0.000 0.267 172 P C -0.871 176.289 177.300 -0.233 0.000 1.205 172 P CA 0.152 62.945 63.100 -0.512 0.000 0.765 172 P CB 0.684 31.814 31.700 -0.949 0.000 0.828 173 C N 6.233 125.450 119.300 -0.138 0.000 3.354 173 C HA 0.283 4.744 4.460 0.001 0.000 0.314 173 C C -1.703 173.235 174.990 -0.087 0.000 1.019 173 C CA -1.367 57.572 59.018 -0.132 0.000 1.293 173 C CB 0.038 27.630 27.740 -0.247 0.000 1.747 173 C HN 0.373 nan 8.230 nan 0.000 0.580 174 P HA -0.141 nan 4.420 nan 0.000 0.216 174 P C 1.650 178.914 177.300 -0.060 0.000 1.150 174 P CA 1.005 64.082 63.100 -0.039 0.000 0.843 174 P CB 0.130 31.820 31.700 -0.018 0.000 0.787 175 L N -1.236 119.925 121.223 -0.103 0.000 2.129 175 L HA -0.171 4.170 4.340 0.001 0.000 0.212 175 L C 1.115 177.734 176.870 -0.418 0.000 1.087 175 L CA 2.070 56.771 54.840 -0.232 0.000 0.757 175 L CB -0.968 40.947 42.059 -0.240 0.000 0.896 175 L HN 0.111 nan 8.230 nan 0.000 0.434 176 H N -1.427 117.611 119.070 -0.054 0.000 2.475 176 H HA 0.425 4.982 4.556 0.002 0.000 0.276 176 H C 1.205 176.514 175.328 -0.031 0.000 1.126 176 H CA 0.279 56.301 56.048 -0.043 0.000 1.023 176 H CB 0.187 29.923 29.762 -0.042 0.000 1.669 176 H HN 0.296 nan 8.280 nan 0.000 0.573 177 G N 1.224 110.043 108.800 0.031 0.000 2.153 177 G HA2 -0.288 3.673 3.960 0.001 0.000 0.252 177 G HA3 -0.288 3.673 3.960 0.001 0.000 0.252 177 G C 0.061 174.974 174.900 0.022 0.000 0.994 177 G CA 0.131 45.246 45.100 0.025 0.000 0.698 177 G HN 0.408 nan 8.290 nan 0.000 0.521 178 I N 2.394 122.971 120.570 0.011 0.000 2.330 178 I HA 0.347 4.518 4.170 0.001 0.000 0.286 178 I C 1.073 177.175 176.117 -0.025 0.000 1.025 178 I CA -0.285 61.016 61.300 0.001 0.000 1.197 178 I CB 1.293 39.294 38.000 0.001 0.000 1.358 178 I HN 0.316 nan 8.210 nan 0.000 0.467 179 S N 3.756 119.451 115.700 -0.007 0.000 2.634 179 S HA 0.229 4.700 4.470 0.001 0.000 0.261 179 S C 0.898 175.490 174.600 -0.014 0.000 1.271 179 S CA -0.494 57.701 58.200 -0.008 0.000 0.985 179 S CB 1.309 64.520 63.200 0.017 0.000 0.968 179 S HN 0.635 nan 8.310 nan 0.000 0.568 180 E N 0.284 120.490 120.200 0.009 0.000 2.150 180 E HA -0.139 4.212 4.350 0.001 0.000 0.193 180 E C 1.085 177.787 176.600 0.169 0.000 0.985 180 E CA 1.210 57.662 56.400 0.087 0.000 0.814 180 E CB -0.140 29.666 29.700 0.178 0.000 0.752 180 E HN 0.618 nan 8.360 nan 0.000 0.466 181 D N 0.840 121.307 120.400 0.112 0.000 2.117 181 D HA -0.136 4.505 4.640 0.001 0.000 0.198 181 D C 1.462 177.828 176.300 0.110 0.000 0.982 181 D CA 0.905 54.972 54.000 0.111 0.000 0.828 181 D CB -0.223 40.622 40.800 0.075 0.000 0.967 181 D HN 0.088 nan 8.370 nan 0.000 0.464 182 D N 0.379 120.827 120.400 0.079 0.000 2.117 182 D HA -0.104 4.537 4.640 0.001 0.000 0.197 182 D C 1.985 178.342 176.300 0.095 0.000 0.987 182 D CA 1.245 55.286 54.000 0.069 0.000 0.829 182 D CB -0.261 40.565 40.800 0.043 0.000 0.961 182 D HN 0.143 nan 8.370 nan 0.000 0.460 183 A N 1.130 124.016 122.820 0.110 0.000 1.858 183 A HA -0.142 4.179 4.320 0.001 0.000 0.216 183 A C 2.203 179.953 177.584 0.277 0.000 1.190 183 A CA 0.885 53.028 52.037 0.178 0.000 0.617 183 A CB -0.532 18.490 19.000 0.037 0.000 0.827 183 A HN 0.109 nan 8.150 nan 0.000 0.443 184 I N 0.091 120.847 120.570 0.311 0.000 2.286 184 I HA -0.230 3.941 4.170 0.001 0.000 0.248 184 I C 2.903 179.121 176.117 0.168 0.000 1.115 184 I CA 1.442 62.874 61.300 0.220 0.000 1.392 184 I CB -1.560 36.564 38.000 0.207 0.000 1.065 184 I HN 0.373 nan 8.210 nan 0.000 0.418 185 A N 0.960 123.885 122.820 0.175 0.000 1.972 185 A HA -0.192 4.129 4.320 0.001 0.000 0.219 185 A C 2.494 180.123 177.584 0.075 0.000 1.169 185 A CA 2.045 54.178 52.037 0.161 0.000 0.635 185 A CB -0.749 18.317 19.000 0.109 0.000 0.810 185 A HN 0.561 nan 8.150 nan 0.000 0.446 186 S N -0.171 115.552 115.700 0.038 0.000 2.447 186 S HA -0.057 4.414 4.470 0.001 0.000 0.233 186 S C 1.776 176.285 174.600 -0.151 0.000 1.006 186 S CA 1.248 59.433 58.200 -0.025 0.000 0.957 186 S CB -0.655 62.549 63.200 0.006 0.000 0.773 186 S HN 0.510 nan 8.310 nan 0.000 0.507 187 I N 1.019 121.450 120.570 -0.232 0.000 2.333 187 I HA -0.095 4.076 4.170 0.001 0.000 0.246 187 I C 2.741 178.353 176.117 -0.842 0.000 1.106 187 I CA 1.137 62.099 61.300 -0.563 0.000 1.411 187 I CB -0.556 37.106 38.000 -0.563 0.000 1.082 187 I HN 0.327 nan 8.210 nan 0.000 0.420 188 H N 0.697 119.562 119.070 -0.341 0.000 2.421 188 H HA -0.126 4.431 4.556 0.001 0.000 0.298 188 H C 2.281 177.536 175.328 -0.121 0.000 1.087 188 H CA 1.222 57.170 56.048 -0.166 0.000 1.330 188 H CB -0.209 29.567 29.762 0.024 0.000 1.388 188 H HN 0.283 nan 8.280 nan 0.000 0.526 189 R N 0.701 121.178 120.500 -0.038 0.000 2.081 189 R HA -0.090 4.251 4.340 0.001 0.000 0.235 189 R C 2.362 178.618 176.300 -0.073 0.000 1.131 189 R CA 1.046 57.132 56.100 -0.024 0.000 0.960 189 R CB -0.173 30.114 30.300 -0.021 0.000 0.856 189 R HN 0.195 nan 8.270 nan 0.000 0.436 190 I N 0.015 120.471 120.570 -0.191 0.000 2.163 190 I HA -0.316 3.855 4.170 0.001 0.000 0.243 190 I C 1.961 178.005 176.117 -0.122 0.000 1.085 190 I CA 1.574 62.748 61.300 -0.211 0.000 1.347 190 I CB -0.365 37.437 38.000 -0.330 0.000 1.044 190 I HN 0.208 nan 8.210 nan 0.000 0.408 191 F N 0.771 120.626 119.950 -0.158 0.000 2.126 191 F HA -0.285 4.243 4.527 0.001 0.000 0.299 191 F C 2.670 178.401 175.800 -0.115 0.000 1.096 191 F CA 1.132 59.033 58.000 -0.165 0.000 1.255 191 F CB -0.229 38.684 39.000 -0.145 0.000 0.997 191 F HN 0.005 nan 8.300 nan 0.000 0.479 192 K N 0.149 120.630 120.400 0.135 0.000 2.186 192 K HA -0.049 4.272 4.320 0.001 0.000 0.202 192 K C 1.582 178.194 176.600 0.020 0.000 1.052 192 K CA 0.922 57.250 56.287 0.068 0.000 0.965 192 K CB 0.060 32.604 32.500 0.073 0.000 0.746 192 K HN 0.161 nan 8.250 nan 0.000 0.457 193 N N -0.274 118.426 118.700 0.000 0.000 2.432 193 N HA -0.017 4.723 4.740 0.001 0.000 0.174 193 N C 0.395 175.889 175.510 -0.026 0.000 1.037 193 N CA 0.829 53.874 53.050 -0.008 0.000 0.892 193 N CB 0.604 39.091 38.487 -0.001 0.000 1.049 193 N HN 0.204 nan 8.380 nan 0.000 0.442 194 D N -0.529 119.820 120.400 -0.086 0.000 2.318 194 D HA 0.211 4.852 4.640 0.001 0.000 0.294 194 D C -0.307 175.808 176.300 -0.309 0.000 1.091 194 D CA 0.250 54.166 54.000 -0.139 0.000 0.883 194 D CB 1.659 42.398 40.800 -0.101 0.000 1.545 194 D HN 0.023 nan 8.370 nan 0.000 0.513 195 A N 1.144 123.737 122.820 -0.378 0.000 2.497 195 A HA 0.640 4.960 4.320 0.001 0.000 0.280 195 A C -0.523 176.970 177.584 -0.151 0.000 1.065 195 A CA -0.420 51.388 52.037 -0.383 0.000 0.781 195 A CB 1.288 19.780 19.000 -0.847 0.000 1.289 195 A HN 0.071 nan 8.150 nan 0.000 0.415 196 A N 3.725 126.467 122.820 -0.130 0.000 2.406 196 A HA 0.615 4.936 4.320 0.001 0.000 0.243 196 A C -1.303 176.114 177.584 -0.278 0.000 1.082 196 A CA -0.969 50.971 52.037 -0.162 0.000 0.786 196 A CB -0.230 18.680 19.000 -0.151 0.000 1.029 196 A HN 0.529 nan 8.150 nan 0.000 0.495 197 P HA -0.240 nan 4.420 nan 0.000 0.217 197 P C 1.174 178.279 177.300 -0.324 0.000 1.151 197 P CA 1.844 64.456 63.100 -0.814 0.000 0.849 197 P CB 0.010 30.937 31.700 -1.287 0.000 0.787 198 E N -0.873 119.187 120.200 -0.234 0.000 2.409 198 E HA -0.170 4.181 4.350 0.001 0.000 0.198 198 E C 0.608 177.154 176.600 -0.090 0.000 1.024 198 E CA 0.978 57.304 56.400 -0.125 0.000 0.861 198 E CB -0.621 29.019 29.700 -0.100 0.000 0.788 198 E HN 0.264 nan 8.360 nan 0.000 0.521 199 D N 0.440 120.782 120.400 -0.098 0.000 2.433 199 D HA 0.150 4.791 4.640 0.001 0.000 0.211 199 D C -0.124 176.167 176.300 -0.016 0.000 1.114 199 D CA -0.141 53.822 54.000 -0.061 0.000 0.837 199 D CB 0.657 41.408 40.800 -0.082 0.000 0.984 199 D HN 0.148 nan 8.370 nan 0.000 0.505 200 I N 1.633 122.197 120.570 -0.010 0.000 2.307 200 I HA 0.205 4.376 4.170 0.001 0.000 0.289 200 I C 1.345 177.494 176.117 0.054 0.000 1.021 200 I CA -0.411 60.927 61.300 0.062 0.000 1.224 200 I CB 1.093 39.174 38.000 0.135 0.000 1.376 200 I HN -0.190 nan 8.210 nan 0.000 0.470 201 A N 5.465 128.323 122.820 0.063 0.000 1.970 201 A HA 0.520 4.841 4.320 0.001 0.000 0.216 201 A C 1.006 178.624 177.584 0.057 0.000 1.170 201 A CA 1.059 53.123 52.037 0.046 0.000 0.645 201 A CB 0.182 19.204 19.000 0.037 0.000 0.816 201 A HN 0.776 nan 8.150 nan 0.000 0.447 202 A N -1.362 121.507 122.820 0.081 0.000 2.605 202 A HA 0.643 4.964 4.320 0.001 0.000 0.294 202 A C -1.274 176.370 177.584 0.099 0.000 1.062 202 A CA -0.459 51.628 52.037 0.083 0.000 0.682 202 A CB 0.592 19.631 19.000 0.066 0.000 1.278 202 A HN 0.200 nan 8.150 nan 0.000 0.410 203 I N 1.703 122.340 120.570 0.111 0.000 2.362 203 I HA 0.420 4.591 4.170 0.001 0.000 0.289 203 I C -0.748 175.472 176.117 0.172 0.000 0.994 203 I CA -0.877 60.506 61.300 0.137 0.000 1.158 203 I CB 1.830 39.933 38.000 0.171 0.000 1.315 203 I HN 0.361 nan 8.210 nan 0.000 0.451 204 V N 7.777 127.791 119.914 0.167 0.000 2.394 204 V HA 0.521 4.642 4.120 0.001 0.000 0.282 204 V C -0.149 176.156 176.094 0.352 0.000 1.031 204 V CA -0.552 61.827 62.300 0.132 0.000 0.881 204 V CB 1.896 33.645 31.823 -0.124 0.000 0.982 204 V HN 0.559 nan 8.190 nan 0.000 0.451 205 I N 2.951 123.727 120.570 0.344 0.000 2.752 205 I HA 0.490 4.661 4.170 0.001 0.000 0.295 205 I C -0.619 175.705 176.117 0.344 0.000 1.219 205 I CA -0.500 61.049 61.300 0.414 0.000 1.030 205 I CB 2.692 40.844 38.000 0.253 0.000 1.259 205 I HN 0.647 nan 8.210 nan 0.000 0.423 206 E N 7.934 128.342 120.200 0.347 0.000 2.194 206 E HA 0.239 4.590 4.350 0.001 0.000 0.284 206 E C -1.961 174.776 176.600 0.228 0.000 1.035 206 E CA -1.502 55.034 56.400 0.227 0.000 0.836 206 E CB 1.191 30.949 29.700 0.097 0.000 1.070 206 E HN 0.398 nan 8.360 nan 0.000 0.401 207 P HA -0.147 nan 4.420 nan 0.000 0.217 207 P C -0.277 177.125 177.300 0.170 0.000 1.148 207 P CA 0.970 64.171 63.100 0.168 0.000 0.828 207 P CB 0.343 32.119 31.700 0.127 0.000 0.783 208 V N -0.024 119.944 119.914 0.089 0.000 2.482 208 V HA 0.170 4.291 4.120 0.001 0.000 0.295 208 V C -0.075 175.984 176.094 -0.058 0.000 1.026 208 V CA -0.834 61.474 62.300 0.013 0.000 0.856 208 V CB 1.662 33.414 31.823 -0.119 0.000 1.001 208 V HN -0.095 nan 8.190 nan 0.000 0.424 209 Q N 2.045 121.770 119.800 -0.125 0.000 2.337 209 Q HA 0.295 4.636 4.340 0.001 0.000 0.270 209 Q C 1.020 177.006 176.000 -0.025 0.000 1.002 209 Q CA 0.624 56.324 55.803 -0.171 0.000 0.888 209 Q CB 1.731 30.259 28.738 -0.351 0.000 1.222 209 Q HN 0.945 nan 8.270 nan 0.000 0.400 210 G N 1.866 110.677 108.800 0.018 0.000 2.680 210 G HA2 -0.127 3.834 3.960 0.001 0.000 0.224 210 G HA3 -0.127 3.834 3.960 0.001 0.000 0.224 210 G C 0.771 175.745 174.900 0.123 0.000 1.454 210 G CA -0.068 45.135 45.100 0.171 0.000 0.900 210 G HN 0.537 nan 8.290 nan 0.000 0.570 211 E N 1.171 121.342 120.200 -0.048 0.000 2.267 211 E HA -0.076 4.275 4.350 0.001 0.000 0.197 211 E C 2.440 179.003 176.600 -0.060 0.000 0.998 211 E CA 0.919 57.237 56.400 -0.138 0.000 0.830 211 E CB -0.656 28.815 29.700 -0.381 0.000 0.751 211 E HN 0.373 nan 8.360 nan 0.000 0.491 212 G N -0.109 108.676 108.800 -0.025 0.000 2.848 212 G HA2 0.119 4.080 3.960 0.001 0.000 0.208 212 G HA3 0.119 4.080 3.960 0.001 0.000 0.208 212 G C 1.010 175.921 174.900 0.017 0.000 1.152 212 G CA 0.517 45.612 45.100 -0.008 0.000 0.789 212 G HN 0.417 nan 8.290 nan 0.000 0.531 213 G N -1.193 107.554 108.800 -0.089 0.000 2.164 213 G HA2 -0.105 3.856 3.960 0.001 0.000 0.154 213 G HA3 -0.105 3.856 3.960 0.001 0.000 0.154 213 G C 0.375 174.989 174.900 -0.476 0.000 1.014 213 G CA -0.213 44.678 45.100 -0.348 0.000 0.683 213 G HN 0.602 nan 8.290 nan 0.000 0.500 214 F N -1.035 118.674 119.950 -0.401 0.000 3.027 214 F HA -0.176 4.352 4.527 0.002 0.000 0.276 214 F C 0.359 175.961 175.800 -0.331 0.000 0.967 214 F CA 0.118 57.937 58.000 -0.302 0.000 0.929 214 F CB -2.415 36.442 39.000 -0.239 0.000 0.873 214 F HN 0.487 nan 8.300 nan 0.000 0.787 215 Y N -0.450 119.898 120.300 0.080 0.000 2.328 215 Y HA 0.644 5.194 4.550 0.001 0.000 0.337 215 Y C 0.537 176.497 175.900 0.100 0.000 1.008 215 Y CA -0.542 57.606 58.100 0.080 0.000 1.129 215 Y CB 1.322 39.822 38.460 0.065 0.000 1.185 215 Y HN 0.289 nan 8.280 nan 0.000 0.476 216 A N 2.259 125.248 122.820 0.282 0.000 2.325 216 A HA 0.677 4.998 4.320 0.001 0.000 0.333 216 A C -0.406 177.302 177.584 0.207 0.000 1.155 216 A CA -0.741 51.422 52.037 0.210 0.000 0.814 216 A CB 0.749 19.807 19.000 0.097 0.000 1.206 216 A HN 0.664 nan 8.150 nan 0.000 0.482 217 S N 0.883 116.684 115.700 0.168 0.000 2.584 217 S HA 0.463 4.934 4.470 0.001 0.000 0.273 217 S C 0.802 175.449 174.600 0.078 0.000 1.311 217 S CA -0.146 58.068 58.200 0.023 0.000 1.034 217 S CB 0.910 64.144 63.200 0.058 0.000 0.939 217 S HN 1.093 nan 8.310 nan 0.000 0.513 218 S N 2.227 117.976 115.700 0.082 0.000 2.632 218 S HA 0.348 4.819 4.470 0.001 0.000 0.271 218 S C -2.267 172.400 174.600 0.113 0.000 1.260 218 S CA -1.224 57.030 58.200 0.091 0.000 1.010 218 S CB 0.692 63.943 63.200 0.084 0.000 0.965 218 S HN 0.289 nan 8.310 nan 0.000 0.534 219 P HA -0.013 nan 4.420 nan 0.000 0.217 219 P C 1.587 178.918 177.300 0.051 0.000 1.150 219 P CA 1.840 64.975 63.100 0.058 0.000 0.832 219 P CB -0.197 31.528 31.700 0.042 0.000 0.787 220 A N -1.069 121.788 122.820 0.062 0.000 1.902 220 A HA -0.223 4.098 4.320 0.001 0.000 0.217 220 A C 2.115 179.726 177.584 0.045 0.000 1.181 220 A CA 1.506 53.573 52.037 0.050 0.000 0.623 220 A CB -1.838 17.200 19.000 0.062 0.000 0.818 220 A HN 0.164 nan 8.150 nan 0.000 0.443 221 F N -0.374 119.559 119.950 -0.028 0.000 2.113 221 F HA -0.140 4.388 4.527 0.001 0.000 0.297 221 F C 2.144 177.915 175.800 -0.048 0.000 1.103 221 F CA 2.246 60.216 58.000 -0.051 0.000 1.248 221 F CB -0.297 38.638 39.000 -0.108 0.000 0.999 221 F HN 0.236 nan 8.300 nan 0.000 0.475 222 M N 0.801 120.345 119.600 -0.095 0.000 2.149 222 M HA -0.227 4.254 4.480 0.001 0.000 0.261 222 M C 2.104 178.300 176.300 -0.172 0.000 1.064 222 M CA 1.757 56.965 55.300 -0.153 0.000 1.102 222 M CB -0.669 31.942 32.600 0.019 0.000 1.369 222 M HN 0.314 nan 8.290 nan 0.000 0.408 223 Q N -0.997 118.738 119.800 -0.109 0.000 2.119 223 Q HA -0.143 4.197 4.340 0.001 0.000 0.201 223 Q C 2.176 178.108 176.000 -0.114 0.000 0.972 223 Q CA 1.535 57.292 55.803 -0.076 0.000 0.847 223 Q CB -0.147 28.571 28.738 -0.033 0.000 0.903 223 Q HN 0.517 nan 8.270 nan 0.000 0.433 224 R N -0.014 120.379 120.500 -0.178 0.000 2.092 224 R HA -0.131 4.210 4.340 0.001 0.000 0.231 224 R C 2.190 178.369 176.300 -0.202 0.000 1.119 224 R CA 0.876 56.876 56.100 -0.167 0.000 0.970 224 R CB -0.276 29.915 30.300 -0.182 0.000 0.864 224 R HN 0.166 nan 8.270 nan 0.000 0.440 225 L N 1.027 122.031 121.223 -0.364 0.000 2.056 225 L HA -0.121 4.220 4.340 0.001 0.000 0.207 225 L C 2.344 179.157 176.870 -0.095 0.000 1.078 225 L CA 1.718 56.398 54.840 -0.267 0.000 0.749 225 L CB -0.444 41.382 42.059 -0.389 0.000 0.901 225 L HN -0.078 nan 8.230 nan 0.000 0.433 226 R N 0.191 120.639 120.500 -0.088 0.000 2.083 226 R HA -0.102 4.239 4.340 0.001 0.000 0.237 226 R C 2.138 178.427 176.300 -0.019 0.000 1.137 226 R CA 1.867 57.949 56.100 -0.030 0.000 0.951 226 R CB -0.939 29.348 30.300 -0.022 0.000 0.851 226 R HN 0.449 nan 8.270 nan 0.000 0.434 227 A N 0.654 123.456 122.820 -0.030 0.000 1.933 227 A HA -0.105 4.216 4.320 0.001 0.000 0.218 227 A C 2.270 179.854 177.584 -0.000 0.000 1.175 227 A CA 1.466 53.492 52.037 -0.018 0.000 0.628 227 A CB -0.728 18.261 19.000 -0.018 0.000 0.814 227 A HN 0.457 nan 8.150 nan 0.000 0.444 228 L N -0.636 120.606 121.223 0.032 0.000 2.017 228 L HA -0.216 4.125 4.340 0.001 0.000 0.208 228 L C 2.510 179.469 176.870 0.148 0.000 1.073 228 L CA 2.057 56.971 54.840 0.124 0.000 0.745 228 L CB -0.430 41.712 42.059 0.138 0.000 0.894 228 L HN 0.462 nan 8.230 nan 0.000 0.432 229 C N 0.303 119.664 119.300 0.101 0.000 2.429 229 C HA -0.152 4.309 4.460 0.001 0.000 0.277 229 C C 2.324 177.339 174.990 0.041 0.000 1.262 229 C CA 0.804 59.883 59.018 0.101 0.000 1.733 229 C CB -1.040 26.741 27.740 0.069 0.000 2.010 229 C HN 0.621 nan 8.230 nan 0.000 0.483 230 D N 0.377 120.776 120.400 -0.003 0.000 2.123 230 D HA -0.156 4.484 4.640 0.001 0.000 0.196 230 D C 2.074 178.324 176.300 -0.084 0.000 0.992 230 D CA 1.214 55.190 54.000 -0.040 0.000 0.833 230 D CB -0.623 40.152 40.800 -0.043 0.000 0.954 230 D HN 0.634 nan 8.370 nan 0.000 0.455 231 E N -0.309 119.806 120.200 -0.142 0.000 2.110 231 E HA -0.187 4.164 4.350 0.001 0.000 0.193 231 E C 1.125 177.464 176.600 -0.435 0.000 0.988 231 E CA 0.922 57.136 56.400 -0.310 0.000 0.804 231 E CB 0.147 29.579 29.700 -0.447 0.000 0.745 231 E HN 0.402 nan 8.360 nan 0.000 0.458 232 H N -1.639 117.402 119.070 -0.048 0.000 2.586 232 H HA 0.204 4.761 4.556 0.002 0.000 0.273 232 H C 1.003 176.283 175.328 -0.080 0.000 0.997 232 H CA 0.688 56.676 56.048 -0.100 0.000 1.177 232 H CB 1.175 30.831 29.762 -0.176 0.000 1.471 232 H HN 0.337 nan 8.280 nan 0.000 0.538 233 G N 1.774 110.584 108.800 0.016 0.000 2.198 233 G HA2 -0.277 3.684 3.960 0.001 0.000 0.260 233 G HA3 -0.277 3.684 3.960 0.001 0.000 0.260 233 G C 0.162 175.072 174.900 0.018 0.000 1.025 233 G CA 0.203 45.303 45.100 -0.000 0.000 0.769 233 G HN 0.345 nan 8.290 nan 0.000 0.507 234 I N 0.888 121.488 120.570 0.051 0.000 2.428 234 I HA 0.362 4.532 4.170 0.001 0.000 0.296 234 I C 0.922 177.067 176.117 0.047 0.000 0.985 234 I CA -0.999 60.338 61.300 0.062 0.000 1.260 234 I CB 1.123 39.193 38.000 0.117 0.000 1.389 234 I HN -0.035 nan 8.210 nan 0.000 0.484 235 M N 6.165 125.788 119.600 0.039 0.000 2.200 235 M HA 0.208 4.689 4.480 0.001 0.000 0.355 235 M C -0.545 175.787 176.300 0.054 0.000 1.283 235 M CA -0.594 54.724 55.300 0.030 0.000 1.124 235 M CB 0.679 33.291 32.600 0.020 0.000 1.625 235 M HN 0.291 nan 8.290 nan 0.000 0.463 236 L N 5.921 127.175 121.223 0.052 0.000 2.257 236 L HA 0.496 4.837 4.340 0.001 0.000 0.290 236 L C -0.906 176.007 176.870 0.072 0.000 1.044 236 L CA 0.160 55.045 54.840 0.074 0.000 0.810 236 L CB 0.195 42.294 42.059 0.067 0.000 1.193 236 L HN 0.570 nan 8.230 nan 0.000 0.425 237 I N 5.543 126.164 120.570 0.084 0.000 2.321 237 I HA 0.480 4.651 4.170 0.001 0.000 0.291 237 I C 0.171 176.347 176.117 0.099 0.000 0.998 237 I CA -0.576 60.767 61.300 0.071 0.000 1.227 237 I CB 1.583 39.611 38.000 0.047 0.000 1.368 237 I HN 0.772 nan 8.210 nan 0.000 0.466 238 A N 4.896 127.771 122.820 0.092 0.000 2.260 238 A HA 0.278 4.598 4.320 0.001 0.000 0.312 238 A C -0.406 177.258 177.584 0.134 0.000 1.321 238 A CA -0.456 51.653 52.037 0.120 0.000 0.928 238 A CB 0.254 19.312 19.000 0.096 0.000 1.158 238 A HN 0.669 nan 8.150 nan 0.000 0.542 239 D N 2.689 123.199 120.400 0.184 0.000 2.393 239 D HA 0.135 4.776 4.640 0.001 0.000 0.232 239 D C 0.251 176.674 176.300 0.205 0.000 1.192 239 D CA 0.140 54.263 54.000 0.206 0.000 0.882 239 D CB 0.542 41.539 40.800 0.329 0.000 1.038 239 D HN 0.570 nan 8.370 nan 0.000 0.499 240 E N 2.932 123.264 120.200 0.220 0.000 2.496 240 E HA 0.049 4.400 4.350 0.001 0.000 0.202 240 E C 1.525 178.273 176.600 0.247 0.000 1.021 240 E CA -0.153 56.405 56.400 0.264 0.000 1.015 240 E CB 0.988 30.962 29.700 0.457 0.000 1.102 240 E HN 0.323 nan 8.360 nan 0.000 0.452 241 V N 0.942 120.972 119.914 0.194 0.000 2.332 241 V HA -0.304 3.817 4.120 0.001 0.000 0.248 241 V C 2.343 178.505 176.094 0.113 0.000 1.055 241 V CA 2.190 64.586 62.300 0.160 0.000 1.038 241 V CB -0.161 31.741 31.823 0.131 0.000 0.651 241 V HN 0.341 nan 8.190 nan 0.000 0.450 242 Q N -0.810 119.039 119.800 0.083 0.000 2.390 242 Q HA -0.056 4.285 4.340 0.001 0.000 0.216 242 Q C 2.268 178.253 176.000 -0.025 0.000 0.916 242 Q CA 0.943 56.765 55.803 0.031 0.000 0.911 242 Q CB 0.210 28.964 28.738 0.027 0.000 1.035 242 Q HN 0.733 nan 8.270 nan 0.000 0.541 243 S N -0.720 114.969 115.700 -0.019 0.000 2.461 243 S HA 0.113 4.584 4.470 0.001 0.000 0.228 243 S C 1.109 175.660 174.600 -0.080 0.000 1.005 243 S CA 0.229 58.385 58.200 -0.072 0.000 0.942 243 S CB -0.054 63.128 63.200 -0.029 0.000 0.776 243 S HN 0.361 nan 8.310 nan 0.000 0.514 244 G N 0.195 108.970 108.800 -0.040 0.000 2.553 244 G HA2 0.474 4.435 3.960 0.001 0.000 0.278 244 G HA3 0.474 4.435 3.960 0.001 0.000 0.278 244 G C 0.558 175.223 174.900 -0.390 0.000 1.349 244 G CA -0.434 44.513 45.100 -0.254 0.000 1.037 244 G HN 1.355 nan 8.290 nan 0.000 0.508 245 A N -2.376 120.004 122.820 -0.734 0.000 2.791 245 A HA 0.272 4.593 4.320 0.001 0.000 0.292 245 A C 2.047 179.298 177.584 -0.555 0.000 1.487 245 A CA 1.760 53.420 52.037 -0.627 0.000 0.760 245 A CB -1.519 17.311 19.000 -0.284 0.000 1.031 245 A HN 2.988 nan 8.150 nan 0.000 0.503 246 G N -1.577 106.869 108.800 -0.591 0.000 2.184 246 G HA2 -0.374 3.587 3.960 0.001 0.000 0.264 246 G HA3 -0.374 3.587 3.960 0.001 0.000 0.264 246 G C 0.841 175.709 174.900 -0.053 0.000 0.975 246 G CA 1.347 46.274 45.100 -0.288 0.000 0.642 246 G HN 1.533 nan 8.290 nan 0.000 0.536 247 R N 0.946 121.390 120.500 -0.094 0.000 2.127 247 R HA -0.030 4.311 4.340 0.001 0.000 0.238 247 R C 2.768 179.015 176.300 -0.088 0.000 1.134 247 R CA 2.540 58.597 56.100 -0.071 0.000 0.975 247 R CB -0.619 29.614 30.300 -0.112 0.000 0.865 247 R HN 0.707 nan 8.270 nan 0.000 0.447 248 T N -4.093 110.399 114.554 -0.102 0.000 3.188 248 T HA 0.316 4.667 4.350 0.001 0.000 0.250 248 T C 1.186 175.855 174.700 -0.051 0.000 1.077 248 T CA 0.309 62.358 62.100 -0.084 0.000 0.967 248 T CB 0.524 69.343 68.868 -0.081 0.000 1.006 248 T HN 0.364 nan 8.240 nan 0.000 0.552 249 G N 1.126 109.904 108.800 -0.037 0.000 2.234 249 G HA2 -0.202 3.759 3.960 0.001 0.000 0.235 249 G HA3 -0.202 3.759 3.960 0.001 0.000 0.235 249 G C 0.263 175.150 174.900 -0.022 0.000 0.997 249 G CA 0.153 45.244 45.100 -0.015 0.000 0.623 249 G HN 1.197 nan 8.290 nan 0.000 0.514 250 T N -1.764 112.758 114.554 -0.053 0.000 2.930 250 T HA 0.688 5.039 4.350 0.001 0.000 0.290 250 T C 1.122 175.722 174.700 -0.167 0.000 1.052 250 T CA -0.042 62.018 62.100 -0.067 0.000 1.017 250 T CB 2.148 70.998 68.868 -0.030 0.000 1.137 250 T HN 0.703 nan 8.240 nan 0.000 0.511 251 L N -0.083 121.003 121.223 -0.229 0.000 2.012 251 L HA 0.295 4.636 4.340 0.001 0.000 0.210 251 L C -0.133 176.279 176.870 -0.764 0.000 1.073 251 L CA 1.696 56.228 54.840 -0.512 0.000 0.748 251 L CB -0.569 41.219 42.059 -0.451 0.000 0.891 251 L HN 0.709 nan 8.230 nan 0.000 0.431 252 F N -2.181 117.698 119.950 -0.119 0.000 2.507 252 F HA 0.474 5.001 4.527 0.001 0.000 0.325 252 F C 1.097 176.869 175.800 -0.048 0.000 1.116 252 F CA -0.284 57.671 58.000 -0.076 0.000 0.930 252 F CB 1.355 40.317 39.000 -0.063 0.000 1.146 252 F HN -0.130 nan 8.300 nan 0.000 0.447 253 A N 3.307 126.198 122.820 0.119 0.000 2.019 253 A HA -0.140 4.181 4.320 0.001 0.000 0.219 253 A C 2.112 179.754 177.584 0.096 0.000 1.164 253 A CA 1.364 53.443 52.037 0.071 0.000 0.644 253 A CB -0.404 18.625 19.000 0.049 0.000 0.805 253 A HN 0.738 nan 8.150 nan 0.000 0.449 254 M N -0.122 119.562 119.600 0.140 0.000 2.358 254 M HA -0.144 4.337 4.480 0.001 0.000 0.264 254 M C 1.644 177.987 176.300 0.071 0.000 1.064 254 M CA 1.161 56.519 55.300 0.097 0.000 1.093 254 M CB -1.311 31.340 32.600 0.084 0.000 1.401 254 M HN 0.558 nan 8.290 nan 0.000 0.440 255 E N -0.065 120.183 120.200 0.080 0.000 2.204 255 E HA -0.212 4.138 4.350 0.001 0.000 0.195 255 E C 1.621 178.241 176.600 0.033 0.000 0.990 255 E CA 0.895 57.324 56.400 0.047 0.000 0.821 255 E CB -0.134 29.593 29.700 0.045 0.000 0.750 255 E HN 0.654 nan 8.360 nan 0.000 0.477 256 Q N -0.626 119.196 119.800 0.037 0.000 2.403 256 Q HA 0.094 4.435 4.340 0.001 0.000 0.203 256 Q C 1.461 177.482 176.000 0.035 0.000 0.932 256 Q CA 0.176 55.997 55.803 0.029 0.000 0.945 256 Q CB 0.403 29.156 28.738 0.025 0.000 1.045 256 Q HN 0.239 nan 8.270 nan 0.000 0.511 257 M N -1.534 118.091 119.600 0.041 0.000 2.510 257 M HA 0.179 4.660 4.480 0.001 0.000 0.256 257 M C 1.243 177.562 176.300 0.031 0.000 1.132 257 M CA 0.876 56.202 55.300 0.042 0.000 1.105 257 M CB 0.094 32.725 32.600 0.052 0.000 1.375 257 M HN 0.353 nan 8.290 nan 0.000 0.477 258 G N 1.386 110.202 108.800 0.027 0.000 2.179 258 G HA2 -0.201 3.760 3.960 0.001 0.000 0.260 258 G HA3 -0.201 3.760 3.960 0.001 0.000 0.260 258 G C 0.174 175.088 174.900 0.023 0.000 0.977 258 G CA 0.365 45.478 45.100 0.022 0.000 0.641 258 G HN 0.522 nan 8.290 nan 0.000 0.533 259 V N -3.414 116.517 119.914 0.029 0.000 3.114 259 V HA 0.983 5.104 4.120 0.001 0.000 0.308 259 V C 0.023 176.149 176.094 0.053 0.000 1.168 259 V CA -0.766 61.557 62.300 0.039 0.000 1.015 259 V CB 1.575 33.414 31.823 0.026 0.000 1.050 259 V HN 1.773 nan 8.190 nan 0.000 0.433 260 A N 2.789 125.662 122.820 0.087 0.000 2.324 260 A HA 1.018 5.339 4.320 0.001 0.000 0.330 260 A C -2.501 175.166 177.584 0.137 0.000 1.165 260 A CA -1.801 50.304 52.037 0.113 0.000 0.813 260 A CB 1.235 20.339 19.000 0.173 0.000 1.197 260 A HN 0.814 nan 8.150 nan 0.000 0.484 261 P HA 0.285 nan 4.420 nan 0.000 0.279 261 P C -0.481 176.901 177.300 0.135 0.000 1.276 261 P CA -0.277 62.882 63.100 0.098 0.000 0.801 261 P CB 1.112 32.854 31.700 0.070 0.000 1.127 262 D N -0.641 119.805 120.400 0.077 0.000 2.213 262 D HA 0.113 4.754 4.640 0.001 0.000 0.205 262 D C 0.501 176.843 176.300 0.069 0.000 0.961 262 D CA 1.183 55.212 54.000 0.049 0.000 0.853 262 D CB 0.346 41.142 40.800 -0.006 0.000 0.967 262 D HN 0.245 nan 8.370 nan 0.000 0.496 263 L N -0.425 120.831 121.223 0.055 0.000 2.434 263 L HA 0.359 4.700 4.340 0.001 0.000 0.260 263 L C -0.700 176.184 176.870 0.023 0.000 0.983 263 L CA -0.435 54.426 54.840 0.036 0.000 0.820 263 L CB 2.819 44.891 42.059 0.022 0.000 1.361 263 L HN -0.358 nan 8.230 nan 0.000 0.410 264 T N 0.018 114.572 114.554 0.000 0.000 2.921 264 T HA 0.543 4.894 4.350 0.001 0.000 0.297 264 T C -0.438 174.275 174.700 0.022 0.000 1.013 264 T CA -0.643 61.448 62.100 -0.014 0.000 0.990 264 T CB 1.834 70.601 68.868 -0.168 0.000 1.023 264 T HN 0.682 nan 8.240 nan 0.000 0.447 265 T N 0.909 115.492 114.554 0.049 0.000 2.902 265 T HA 0.854 5.205 4.350 0.001 0.000 0.283 265 T C -0.588 174.205 174.700 0.154 0.000 1.009 265 T CA -0.807 61.285 62.100 -0.015 0.000 1.051 265 T CB 0.581 69.447 68.868 -0.004 0.000 0.999 265 T HN 0.529 nan 8.240 nan 0.000 0.474 266 F N -0.607 119.402 119.950 0.098 0.000 2.626 266 F HA 0.974 5.502 4.527 0.002 0.000 0.311 266 F C -0.335 175.522 175.800 0.095 0.000 1.088 266 F CA -1.091 57.007 58.000 0.162 0.000 0.949 266 F CB 1.095 40.259 39.000 0.274 0.000 1.322 266 F HN 1.013 nan 8.300 nan 0.000 0.461 267 A N 0.827 123.829 122.820 0.303 0.000 5.767 267 A HA 0.587 4.907 4.320 0.001 0.000 0.190 267 A C 0.171 177.848 177.584 0.155 0.000 0.899 267 A CA -0.181 51.961 52.037 0.176 0.000 0.816 267 A CB -0.438 18.605 19.000 0.073 0.000 2.140 267 A HN 0.917 nan 8.150 nan 0.000 1.042 268 K N -1.204 119.255 120.400 0.098 0.000 2.158 268 K HA -0.285 4.036 4.320 0.001 0.000 0.151 268 K C 1.506 178.146 176.600 0.067 0.000 0.850 268 K CA 2.080 58.407 56.287 0.067 0.000 0.360 268 K CB -1.609 30.922 32.500 0.053 0.000 0.730 268 K HN 0.548 nan 8.250 nan 0.000 0.797 269 S N 0.502 116.233 115.700 0.052 0.000 2.507 269 S HA -0.075 4.396 4.470 0.001 0.000 0.235 269 S C 1.631 176.272 174.600 0.068 0.000 0.988 269 S CA 0.943 59.177 58.200 0.057 0.000 0.944 269 S CB -0.195 63.035 63.200 0.051 0.000 0.762 269 S HN 0.348 nan 8.310 nan 0.000 0.526 270 I N 1.623 122.234 120.570 0.068 0.000 2.315 270 I HA -0.160 4.011 4.170 0.001 0.000 0.251 270 I C 1.685 177.851 176.117 0.082 0.000 1.125 270 I CA 1.226 62.555 61.300 0.049 0.000 1.392 270 I CB -0.208 37.886 38.000 0.157 0.000 1.065 270 I HN 0.230 nan 8.210 nan 0.000 0.424 271 A N -0.824 122.074 122.820 0.130 0.000 2.538 271 A HA 0.558 4.879 4.320 0.001 0.000 0.269 271 A C 1.539 179.276 177.584 0.256 0.000 1.231 271 A CA 0.252 52.394 52.037 0.174 0.000 0.948 271 A CB -0.688 18.435 19.000 0.204 0.000 1.110 271 A HN 0.692 nan 8.150 nan 0.000 0.529 272 G N -0.865 108.041 108.800 0.177 0.000 2.283 272 G HA2 0.138 4.099 3.960 0.001 0.000 0.280 272 G HA3 0.138 4.099 3.960 0.001 0.000 0.280 272 G C 1.327 176.308 174.900 0.135 0.000 1.029 272 G CA 0.975 46.175 45.100 0.166 0.000 0.840 272 G HN 2.167 nan 8.290 nan 0.000 0.505 273 G N -2.816 105.997 108.800 0.022 0.000 2.148 273 G HA2 0.069 4.030 3.960 0.001 0.000 0.157 273 G HA3 0.069 4.030 3.960 0.001 0.000 0.157 273 G C -0.031 174.481 174.900 -0.647 0.000 1.012 273 G CA 0.017 44.958 45.100 -0.264 0.000 0.677 273 G HN 1.144 nan 8.290 nan 0.000 0.506 274 F N 0.022 119.987 119.950 0.026 0.000 2.551 274 F HA 0.603 5.131 4.527 0.001 0.000 0.316 274 F C -2.280 173.533 175.800 0.022 0.000 1.089 274 F CA -2.692 55.321 58.000 0.022 0.000 0.915 274 F CB 2.151 41.166 39.000 0.025 0.000 1.186 274 F HN -0.179 nan 8.300 nan 0.000 0.456 275 P HA 0.284 nan 4.420 nan 0.000 0.273 275 P C -1.183 176.181 177.300 0.106 0.000 1.319 275 P CA 0.174 63.326 63.100 0.086 0.000 0.885 275 P CB 0.505 32.224 31.700 0.033 0.000 1.015 276 L N 3.087 124.373 121.223 0.104 0.000 2.505 276 L HA 0.838 5.179 4.340 0.001 0.000 0.259 276 L C -1.490 175.425 176.870 0.075 0.000 0.952 276 L CA -0.734 54.163 54.840 0.095 0.000 0.840 276 L CB 2.009 44.140 42.059 0.121 0.000 1.358 276 L HN 0.389 nan 8.230 nan 0.000 0.409 277 A N 1.813 124.635 122.820 0.003 0.000 2.583 277 A HA 1.050 5.371 4.320 0.001 0.000 0.289 277 A C -0.659 176.692 177.584 -0.388 0.000 1.151 277 A CA -0.078 51.882 52.037 -0.128 0.000 0.695 277 A CB 1.528 20.461 19.000 -0.112 0.000 1.290 277 A HN 1.499 nan 8.150 nan 0.000 0.419 278 G N -1.804 106.407 108.800 -0.982 0.000 2.495 278 G HA2 0.627 4.588 3.960 0.001 0.000 0.294 278 G HA3 0.627 4.588 3.960 0.001 0.000 0.294 278 G C -2.074 172.153 174.900 -1.121 0.000 1.397 278 G CA -0.061 44.371 45.100 -1.114 0.000 0.790 278 G HN 1.439 nan 8.290 nan 0.000 0.486 279 V N 0.079 119.690 119.914 -0.505 0.000 2.623 279 V HA 0.740 4.861 4.120 0.001 0.000 0.304 279 V C -0.392 175.711 176.094 0.015 0.000 1.054 279 V CA -0.586 61.590 62.300 -0.207 0.000 0.882 279 V CB 1.903 33.655 31.823 -0.118 0.000 1.002 279 V HN 0.879 nan 8.190 nan 0.000 0.424 280 T N 3.059 117.675 114.554 0.105 0.000 2.861 280 T HA 0.868 5.219 4.350 0.001 0.000 0.287 280 T C 0.108 174.838 174.700 0.050 0.000 1.003 280 T CA -0.255 61.907 62.100 0.103 0.000 0.977 280 T CB 1.866 70.794 68.868 0.099 0.000 0.996 280 T HN 1.158 nan 8.240 nan 0.000 0.448 281 G N 1.090 109.930 108.800 0.067 0.000 2.600 281 G HA2 0.544 4.505 3.960 0.001 0.000 0.293 281 G HA3 0.544 4.505 3.960 0.001 0.000 0.293 281 G C -1.216 173.777 174.900 0.154 0.000 1.408 281 G CA -1.075 44.085 45.100 0.100 0.000 0.782 281 G HN 0.723 nan 8.290 nan 0.000 0.482 282 R N 0.213 120.827 120.500 0.191 0.000 2.485 282 R HA 0.197 4.538 4.340 0.001 0.000 0.304 282 R C 1.726 178.067 176.300 0.069 0.000 0.934 282 R CA 0.808 56.985 56.100 0.128 0.000 1.102 282 R CB 0.432 30.623 30.300 -0.181 0.000 0.906 282 R HN 0.704 nan 8.270 nan 0.000 0.407 283 A N 4.762 127.641 122.820 0.098 0.000 1.892 283 A HA -0.249 4.072 4.320 0.001 0.000 0.218 283 A C 1.676 179.274 177.584 0.022 0.000 1.188 283 A CA 1.956 54.028 52.037 0.059 0.000 0.631 283 A CB -0.331 18.708 19.000 0.065 0.000 0.822 283 A HN 0.889 nan 8.150 nan 0.000 0.447 284 E N -0.558 119.640 120.200 -0.004 0.000 2.204 284 E HA -0.051 4.300 4.350 0.001 0.000 0.194 284 E C 1.894 178.482 176.600 -0.021 0.000 0.989 284 E CA 1.003 57.392 56.400 -0.017 0.000 0.824 284 E CB -0.333 29.345 29.700 -0.037 0.000 0.756 284 E HN 0.399 nan 8.360 nan 0.000 0.477 285 V N 0.442 120.340 119.914 -0.027 0.000 2.346 285 V HA -0.207 3.914 4.120 0.001 0.000 0.244 285 V C 2.085 178.175 176.094 -0.006 0.000 1.037 285 V CA 1.299 63.586 62.300 -0.023 0.000 1.029 285 V CB -0.346 31.458 31.823 -0.032 0.000 0.663 285 V HN 0.314 nan 8.190 nan 0.000 0.454 286 M N -0.198 119.406 119.600 0.007 0.000 2.108 286 M HA -0.170 4.311 4.480 0.001 0.000 0.261 286 M C 1.737 178.044 176.300 0.012 0.000 1.066 286 M CA 1.590 56.899 55.300 0.015 0.000 1.107 286 M CB -1.210 31.408 32.600 0.030 0.000 1.356 286 M HN 0.319 nan 8.290 nan 0.000 0.406 287 D N 0.294 120.701 120.400 0.011 0.000 2.363 287 D HA 0.090 4.730 4.640 0.001 0.000 0.226 287 D C 1.799 178.099 176.300 0.001 0.000 1.020 287 D CA 0.530 54.535 54.000 0.009 0.000 0.892 287 D CB 0.052 40.858 40.800 0.010 0.000 0.900 287 D HN 0.278 nan 8.370 nan 0.000 0.531 288 A N 0.143 122.961 122.820 -0.004 0.000 1.972 288 A HA -0.072 4.249 4.320 0.001 0.000 0.219 288 A C 1.331 178.911 177.584 -0.007 0.000 1.169 288 A CA 0.482 52.514 52.037 -0.008 0.000 0.635 288 A CB -0.065 18.928 19.000 -0.012 0.000 0.810 288 A HN 0.083 nan 8.150 nan 0.000 0.446 289 V N 0.672 120.583 119.914 -0.005 0.000 2.555 289 V HA 0.429 4.550 4.120 0.001 0.000 0.286 289 V C 0.889 176.982 176.094 -0.002 0.000 1.044 289 V CA -0.399 61.898 62.300 -0.005 0.000 1.026 289 V CB 0.564 32.384 31.823 -0.004 0.000 0.981 289 V HN 0.524 nan 8.190 nan 0.000 0.480 290 A N 7.349 130.167 122.820 -0.004 0.000 2.366 290 A HA 0.572 4.892 4.320 0.001 0.000 0.249 290 A C -2.165 175.419 177.584 0.000 0.000 1.084 290 A CA -1.257 50.779 52.037 -0.002 0.000 0.794 290 A CB -0.379 18.618 19.000 -0.005 0.000 1.034 290 A HN 0.745 nan 8.150 nan 0.000 0.491 291 P HA 0.246 nan 4.420 nan 0.000 0.261 291 P C 0.994 178.294 177.300 0.000 0.000 1.173 291 P CA 1.946 65.047 63.100 0.002 0.000 0.760 291 P CB 0.495 32.193 31.700 -0.003 0.000 0.783 292 G N 2.408 111.211 108.800 0.004 0.000 2.213 292 G HA2 -0.230 3.730 3.960 0.001 0.000 0.236 292 G HA3 -0.230 3.730 3.960 0.001 0.000 0.236 292 G C 1.178 176.081 174.900 0.005 0.000 0.991 292 G CA 0.139 45.241 45.100 0.004 0.000 0.629 292 G HN 0.775 nan 8.290 nan 0.000 0.517 293 G N -0.181 108.622 108.800 0.004 0.000 2.712 293 G HA2 0.465 4.426 3.960 0.001 0.000 0.212 293 G HA3 0.465 4.426 3.960 0.001 0.000 0.212 293 G C 0.573 175.476 174.900 0.005 0.000 1.142 293 G CA 0.764 45.865 45.100 0.000 0.000 0.789 293 G HN 0.608 nan 8.290 nan 0.000 0.535 294 L N -0.821 120.413 121.223 0.018 0.000 2.388 294 L HA 0.794 5.135 4.340 0.001 0.000 0.264 294 L C 0.391 177.289 176.870 0.047 0.000 0.998 294 L CA -0.499 54.358 54.840 0.028 0.000 0.817 294 L CB 2.383 44.462 42.059 0.034 0.000 1.338 294 L HN 0.204 nan 8.230 nan 0.000 0.414 295 G N 0.514 109.349 108.800 0.057 0.000 2.399 295 G HA2 0.563 4.524 3.960 0.001 0.000 0.256 295 G HA3 0.563 4.524 3.960 0.001 0.000 0.256 295 G C -0.995 173.956 174.900 0.085 0.000 1.236 295 G CA 0.094 45.244 45.100 0.083 0.000 0.914 295 G HN 1.061 nan 8.290 nan 0.000 0.482 296 G N -2.250 106.605 108.800 0.092 0.000 2.277 296 G HA2 0.512 4.473 3.960 0.001 0.000 0.272 296 G HA3 0.512 4.473 3.960 0.001 0.000 0.272 296 G C 0.415 175.382 174.900 0.111 0.000 1.692 296 G CA 0.721 45.872 45.100 0.084 0.000 0.926 296 G HN 1.242 nan 8.290 nan 0.000 0.720 297 T N 1.106 115.679 114.554 0.032 0.000 2.622 297 T HA -0.161 4.190 4.350 0.001 0.000 0.266 297 T C 1.883 176.721 174.700 0.231 0.000 1.047 297 T CA 2.529 64.645 62.100 0.026 0.000 1.159 297 T CB -0.250 68.459 68.868 -0.265 0.000 0.863 297 T HN 0.509 nan 8.240 nan 0.000 0.422 298 Y N 1.428 121.863 120.300 0.226 0.000 2.519 298 Y HA 0.536 5.087 4.550 0.001 0.000 0.287 298 Y C 1.585 177.647 175.900 0.270 0.000 1.128 298 Y CA -1.087 57.171 58.100 0.263 0.000 1.282 298 Y CB -1.098 37.453 38.460 0.152 0.000 1.027 298 Y HN 0.152 nan 8.280 nan 0.000 0.551 299 A N 0.947 123.992 122.820 0.376 0.000 2.610 299 A HA 0.241 4.562 4.320 0.001 0.000 0.250 299 A C 1.626 179.424 177.584 0.356 0.000 0.978 299 A CA 1.029 53.244 52.037 0.296 0.000 0.827 299 A CB -0.966 18.195 19.000 0.268 0.000 0.867 299 A HN 1.040 nan 8.150 nan 0.000 0.495 300 G N 2.295 111.199 108.800 0.173 0.000 2.338 300 G HA2 -0.296 3.664 3.960 0.001 0.000 0.296 300 G HA3 -0.296 3.664 3.960 0.001 0.000 0.296 300 G C 0.080 175.198 174.900 0.363 0.000 1.040 300 G CA 0.625 45.780 45.100 0.092 0.000 1.004 300 G HN 1.605 nan 8.290 nan 0.000 0.509 301 N N 0.422 119.289 118.700 0.278 0.000 2.357 301 N HA 0.210 4.951 4.740 0.001 0.000 0.257 301 N C -0.103 175.494 175.510 0.145 0.000 1.250 301 N CA -0.476 52.716 53.050 0.237 0.000 0.862 301 N CB 0.740 39.319 38.487 0.154 0.000 1.066 301 N HN 0.112 nan 8.380 nan 0.000 0.468 302 P HA -0.205 nan 4.420 nan 0.000 0.216 302 P C 1.108 178.386 177.300 -0.037 0.000 1.157 302 P CA 1.073 64.096 63.100 -0.128 0.000 0.880 302 P CB 0.109 31.556 31.700 -0.421 0.000 0.791 303 I N -0.313 120.229 120.570 -0.047 0.000 2.226 303 I HA -0.191 3.980 4.170 0.001 0.000 0.245 303 I C 2.339 178.390 176.117 -0.110 0.000 1.100 303 I CA 1.209 62.459 61.300 -0.084 0.000 1.374 303 I CB -1.876 36.089 38.000 -0.059 0.000 1.057 303 I HN -0.118 nan 8.210 nan 0.000 0.413 304 A N -0.766 122.053 122.820 -0.000 0.000 1.969 304 A HA -0.209 4.112 4.320 0.001 0.000 0.218 304 A C 2.524 180.125 177.584 0.030 0.000 1.169 304 A CA 1.721 53.791 52.037 0.055 0.000 0.635 304 A CB -1.258 17.826 19.000 0.141 0.000 0.810 304 A HN 0.515 nan 8.150 nan 0.000 0.445 305 C N -0.822 118.505 119.300 0.045 0.000 2.432 305 C HA -0.089 4.372 4.460 0.001 0.000 0.277 305 C C 2.887 177.886 174.990 0.014 0.000 1.249 305 C CA 1.284 60.331 59.018 0.048 0.000 1.725 305 C CB -1.281 26.532 27.740 0.122 0.000 2.028 305 C HN 0.677 nan 8.230 nan 0.000 0.477 306 V N 0.723 120.630 119.914 -0.012 0.000 2.490 306 V HA -0.070 4.050 4.120 0.001 0.000 0.250 306 V C 2.419 178.466 176.094 -0.079 0.000 1.061 306 V CA 2.162 64.440 62.300 -0.036 0.000 1.064 306 V CB -1.482 30.311 31.823 -0.049 0.000 0.670 306 V HN 0.430 nan 8.190 nan 0.000 0.461 307 A N 0.903 123.637 122.820 -0.142 0.000 1.877 307 A HA 0.072 4.393 4.320 0.001 0.000 0.216 307 A C 2.539 180.104 177.584 -0.030 0.000 1.186 307 A CA 2.429 54.367 52.037 -0.164 0.000 0.620 307 A CB -1.160 17.642 19.000 -0.330 0.000 0.822 307 A HN 0.977 nan 8.150 nan 0.000 0.443 308 A N -0.239 122.583 122.820 0.005 0.000 1.902 308 A HA -0.058 4.263 4.320 0.001 0.000 0.217 308 A C 2.168 179.747 177.584 -0.007 0.000 1.181 308 A CA 1.524 53.573 52.037 0.020 0.000 0.623 308 A CB -0.650 18.366 19.000 0.027 0.000 0.818 308 A HN 0.476 nan 8.150 nan 0.000 0.443 309 L N -1.057 120.158 121.223 -0.013 0.000 2.079 309 L HA -0.202 4.139 4.340 0.001 0.000 0.210 309 L C 2.659 179.519 176.870 -0.016 0.000 1.081 309 L CA 1.709 56.540 54.840 -0.015 0.000 0.752 309 L CB -0.408 41.649 42.059 -0.004 0.000 0.896 309 L HN 0.372 nan 8.230 nan 0.000 0.433 310 E N -0.135 120.051 120.200 -0.024 0.000 2.107 310 E HA -0.136 4.215 4.350 0.001 0.000 0.191 310 E C 2.170 178.742 176.600 -0.046 0.000 0.982 310 E CA 0.828 57.206 56.400 -0.036 0.000 0.809 310 E CB -0.119 29.555 29.700 -0.044 0.000 0.756 310 E HN 0.149 nan 8.360 nan 0.000 0.459 311 V N 0.664 120.570 119.914 -0.013 0.000 2.332 311 V HA -0.280 3.841 4.120 0.001 0.000 0.248 311 V C 2.361 178.537 176.094 0.136 0.000 1.055 311 V CA 1.719 64.045 62.300 0.043 0.000 1.038 311 V CB -0.454 31.429 31.823 0.099 0.000 0.651 311 V HN 0.310 nan 8.190 nan 0.000 0.450 312 L N -0.724 120.533 121.223 0.057 0.000 2.046 312 L HA -0.189 4.152 4.340 0.001 0.000 0.208 312 L C 2.582 179.489 176.870 0.062 0.000 1.077 312 L CA 1.658 56.521 54.840 0.038 0.000 0.747 312 L CB -0.602 41.429 42.059 -0.046 0.000 0.896 312 L HN 0.295 nan 8.230 nan 0.000 0.432 313 K N -0.411 120.001 120.400 0.020 0.000 2.057 313 K HA -0.119 4.202 4.320 0.001 0.000 0.206 313 K C 2.064 178.663 176.600 -0.001 0.000 1.050 313 K CA 1.052 57.343 56.287 0.007 0.000 0.935 313 K CB -0.242 32.252 32.500 -0.010 0.000 0.715 313 K HN 0.088 nan 8.250 nan 0.000 0.439 314 V N 1.029 120.913 119.914 -0.050 0.000 2.343 314 V HA -0.239 3.882 4.120 0.001 0.000 0.247 314 V C 1.961 177.992 176.094 -0.106 0.000 1.051 314 V CA 1.695 63.908 62.300 -0.145 0.000 1.036 314 V CB -0.514 31.065 31.823 -0.406 0.000 0.654 314 V HN 0.168 nan 8.190 nan 0.000 0.451 315 F N 0.489 120.377 119.950 -0.104 0.000 2.126 315 F HA -0.220 4.308 4.527 0.001 0.000 0.299 315 F C 2.485 178.249 175.800 -0.059 0.000 1.096 315 F CA 2.208 60.160 58.000 -0.081 0.000 1.255 315 F CB -0.240 38.704 39.000 -0.094 0.000 0.997 315 F HN 0.185 nan 8.300 nan 0.000 0.479 316 E N 0.192 120.468 120.200 0.127 0.000 2.046 316 E HA -0.180 4.171 4.350 0.001 0.000 0.190 316 E C 2.074 178.689 176.600 0.024 0.000 0.982 316 E CA 1.504 57.942 56.400 0.063 0.000 0.800 316 E CB -0.331 29.394 29.700 0.042 0.000 0.756 316 E HN 0.433 nan 8.360 nan 0.000 0.449 317 Q N -0.146 119.659 119.800 0.008 0.000 2.119 317 Q HA -0.092 4.249 4.340 0.001 0.000 0.201 317 Q C 1.307 177.302 176.000 -0.008 0.000 0.972 317 Q CA 1.404 57.207 55.803 0.000 0.000 0.847 317 Q CB 0.032 28.770 28.738 0.000 0.000 0.903 317 Q HN 0.383 nan 8.270 nan 0.000 0.433 318 E N 0.342 120.523 120.200 -0.031 0.000 2.444 318 E HA 0.020 4.370 4.350 0.001 0.000 0.191 318 E C -0.336 176.232 176.600 -0.053 0.000 1.041 318 E CA -0.298 56.077 56.400 -0.041 0.000 0.883 318 E CB 0.138 29.805 29.700 -0.055 0.000 1.024 318 E HN 0.218 nan 8.360 nan 0.000 0.470 319 N N 1.006 119.688 118.700 -0.030 0.000 2.727 319 N HA -0.211 4.530 4.740 0.001 0.000 0.249 319 N C 0.301 175.788 175.510 -0.038 0.000 1.048 319 N CA 0.218 53.259 53.050 -0.014 0.000 0.714 319 N CB -1.281 37.199 38.487 -0.011 0.000 0.959 319 N HN 0.280 nan 8.380 nan 0.000 0.544 320 L N -0.582 120.582 121.223 -0.099 0.000 2.275 320 L HA -0.133 4.208 4.340 0.001 0.000 0.215 320 L C 2.109 178.979 176.870 -0.001 0.000 1.119 320 L CA 0.876 55.601 54.840 -0.190 0.000 0.790 320 L CB -0.278 41.336 42.059 -0.742 0.000 0.919 320 L HN 0.401 nan 8.230 nan 0.000 0.443 321 L N -0.698 120.602 121.223 0.129 0.000 2.044 321 L HA -0.203 4.138 4.340 0.001 0.000 0.205 321 L C 2.675 179.570 176.870 0.042 0.000 1.075 321 L CA 0.945 55.856 54.840 0.118 0.000 0.747 321 L CB -0.449 41.667 42.059 0.096 0.000 0.903 321 L HN 0.253 nan 8.230 nan 0.000 0.435 322 Q N 0.918 120.732 119.800 0.024 0.000 2.084 322 Q HA -0.202 4.139 4.340 0.001 0.000 0.202 322 Q C 2.055 178.053 176.000 -0.003 0.000 0.978 322 Q CA 1.739 57.547 55.803 0.008 0.000 0.844 322 Q CB -0.051 28.689 28.738 0.004 0.000 0.898 322 Q HN 0.290 nan 8.270 nan 0.000 0.426 323 K N -0.447 119.944 120.400 -0.015 0.000 2.097 323 K HA -0.065 4.256 4.320 0.001 0.000 0.206 323 K C 2.028 178.611 176.600 -0.028 0.000 1.049 323 K CA 1.001 57.271 56.287 -0.029 0.000 0.933 323 K CB -0.242 32.226 32.500 -0.054 0.000 0.717 323 K HN 0.292 nan 8.250 nan 0.000 0.442 324 A N 1.889 124.699 122.820 -0.018 0.000 1.877 324 A HA -0.224 4.097 4.320 0.001 0.000 0.216 324 A C 1.759 179.333 177.584 -0.016 0.000 1.186 324 A CA 1.872 53.900 52.037 -0.016 0.000 0.620 324 A CB -0.726 18.281 19.000 0.012 0.000 0.822 324 A HN 0.356 nan 8.150 nan 0.000 0.443 325 N N -0.081 118.615 118.700 -0.008 0.000 2.120 325 N HA -0.140 4.601 4.740 0.001 0.000 0.188 325 N C 1.142 176.648 175.510 -0.007 0.000 1.024 325 N CA 1.372 54.418 53.050 -0.007 0.000 0.852 325 N CB -0.181 38.304 38.487 -0.002 0.000 1.003 325 N HN 0.418 nan 8.380 nan 0.000 0.424 326 D N 0.680 121.075 120.400 -0.008 0.000 2.117 326 D HA -0.120 4.521 4.640 0.001 0.000 0.197 326 D C 1.961 178.255 176.300 -0.009 0.000 0.987 326 D CA 0.554 54.550 54.000 -0.007 0.000 0.829 326 D CB -0.420 40.376 40.800 -0.007 0.000 0.961 326 D HN 0.141 nan 8.370 nan 0.000 0.460 327 L N 0.951 122.163 121.223 -0.019 0.000 2.046 327 L HA -0.005 4.336 4.340 0.001 0.000 0.208 327 L C 2.150 179.007 176.870 -0.022 0.000 1.077 327 L CA 2.176 57.001 54.840 -0.026 0.000 0.747 327 L CB -0.957 41.073 42.059 -0.048 0.000 0.896 327 L HN 0.053 nan 8.230 nan 0.000 0.432 328 G N -1.393 107.395 108.800 -0.021 0.000 2.418 328 G HA2 -0.344 3.617 3.960 0.001 0.000 0.217 328 G HA3 -0.344 3.617 3.960 0.001 0.000 0.217 328 G C 1.505 176.405 174.900 0.000 0.000 1.158 328 G CA 0.853 45.946 45.100 -0.012 0.000 0.771 328 G HN 0.468 nan 8.290 nan 0.000 0.545 329 Q N 0.609 120.410 119.800 0.001 0.000 2.050 329 Q HA -0.004 4.337 4.340 0.001 0.000 0.202 329 Q C 2.518 178.525 176.000 0.011 0.000 0.980 329 Q CA 1.642 57.449 55.803 0.007 0.000 0.840 329 Q CB -0.233 28.509 28.738 0.006 0.000 0.898 329 Q HN 0.492 nan 8.270 nan 0.000 0.424 330 K N -0.366 120.040 120.400 0.010 0.000 2.057 330 K HA -0.118 4.203 4.320 0.001 0.000 0.207 330 K C 2.121 178.736 176.600 0.026 0.000 1.049 330 K CA 1.377 57.674 56.287 0.017 0.000 0.931 330 K CB -0.224 32.286 32.500 0.016 0.000 0.714 330 K HN 0.220 nan 8.250 nan 0.000 0.440 331 L N 1.127 122.363 121.223 0.023 0.000 2.027 331 L HA -0.195 4.146 4.340 0.001 0.000 0.206 331 L C 2.347 179.240 176.870 0.037 0.000 1.074 331 L CA 1.402 56.264 54.840 0.038 0.000 0.745 331 L CB -0.335 41.737 42.059 0.022 0.000 0.898 331 L HN 0.129 nan 8.230 nan 0.000 0.433 332 K N -0.202 120.214 120.400 0.026 0.000 2.057 332 K HA -0.167 4.154 4.320 0.001 0.000 0.207 332 K C 1.733 178.345 176.600 0.020 0.000 1.049 332 K CA 1.416 57.718 56.287 0.024 0.000 0.931 332 K CB -0.214 32.299 32.500 0.022 0.000 0.714 332 K HN 0.260 nan 8.250 nan 0.000 0.440 333 D N 0.284 120.696 120.400 0.020 0.000 2.104 333 D HA -0.131 4.510 4.640 0.001 0.000 0.194 333 D C 1.968 178.279 176.300 0.018 0.000 0.994 333 D CA 1.452 55.462 54.000 0.017 0.000 0.830 333 D CB -0.513 40.297 40.800 0.016 0.000 0.959 333 D HN 0.358 nan 8.370 nan 0.000 0.452 334 G N 0.518 109.334 108.800 0.026 0.000 2.418 334 G HA2 -0.178 3.783 3.960 0.001 0.000 0.217 334 G HA3 -0.178 3.783 3.960 0.001 0.000 0.217 334 G C 1.812 176.726 174.900 0.024 0.000 1.158 334 G CA 0.273 45.392 45.100 0.031 0.000 0.771 334 G HN 0.251 nan 8.290 nan 0.000 0.545 335 L N -0.165 121.072 121.223 0.023 0.000 2.093 335 L HA 0.060 4.401 4.340 0.001 0.000 0.208 335 L C 2.839 179.694 176.870 -0.025 0.000 1.085 335 L CA 0.371 55.211 54.840 -0.000 0.000 0.755 335 L CB -0.313 41.753 42.059 0.011 0.000 0.904 335 L HN 0.165 nan 8.230 nan 0.000 0.435 336 L N -0.507 120.711 121.223 -0.008 0.000 2.083 336 L HA -0.187 4.154 4.340 0.001 0.000 0.209 336 L C 2.867 179.729 176.870 -0.013 0.000 1.083 336 L CA 1.067 55.902 54.840 -0.009 0.000 0.752 336 L CB -0.662 41.399 42.059 0.003 0.000 0.899 336 L HN 0.243 nan 8.230 nan 0.000 0.433 337 A N 0.423 123.240 122.820 -0.004 0.000 1.877 337 A HA -0.197 4.123 4.320 0.001 0.000 0.216 337 A C 2.195 179.776 177.584 -0.004 0.000 1.186 337 A CA 1.628 53.664 52.037 -0.001 0.000 0.620 337 A CB -0.691 18.314 19.000 0.009 0.000 0.822 337 A HN 0.355 nan 8.150 nan 0.000 0.443 338 I N -0.166 120.401 120.570 -0.006 0.000 2.286 338 I HA -0.280 3.891 4.170 0.001 0.000 0.248 338 I C 2.888 178.994 176.117 -0.019 0.000 1.115 338 I CA 1.034 62.337 61.300 0.004 0.000 1.392 338 I CB -0.299 37.668 38.000 -0.056 0.000 1.065 338 I HN 0.354 nan 8.210 nan 0.000 0.418 339 A N 0.241 123.016 122.820 -0.076 0.000 2.019 339 A HA -0.212 4.109 4.320 0.001 0.000 0.219 339 A C 2.169 179.727 177.584 -0.042 0.000 1.164 339 A CA 1.446 53.437 52.037 -0.077 0.000 0.644 339 A CB -0.544 18.417 19.000 -0.065 0.000 0.805 339 A HN 0.438 nan 8.150 nan 0.000 0.449 340 E N -0.708 119.469 120.200 -0.038 0.000 2.209 340 E HA -0.202 4.149 4.350 0.001 0.000 0.196 340 E C 1.847 178.397 176.600 -0.084 0.000 0.993 340 E CA 1.415 57.789 56.400 -0.043 0.000 0.819 340 E CB -0.045 29.636 29.700 -0.032 0.000 0.745 340 E HN 0.653 nan 8.360 nan 0.000 0.477 341 K N -0.212 120.105 120.400 -0.138 0.000 2.358 341 K HA 0.012 4.333 4.320 0.001 0.000 0.197 341 K C -0.345 175.883 176.600 -0.620 0.000 1.025 341 K CA 0.173 56.263 56.287 -0.329 0.000 1.104 341 K CB 0.556 32.847 32.500 -0.348 0.000 0.855 341 K HN 0.045 nan 8.250 nan 0.000 0.531 342 H N -0.012 119.017 119.070 -0.068 0.000 3.036 342 H HA 0.162 4.719 4.556 0.001 0.000 0.295 342 H C -2.381 172.915 175.328 -0.052 0.000 1.124 342 H CA -1.860 54.151 56.048 -0.063 0.000 1.507 342 H CB 1.865 31.528 29.762 -0.165 0.000 1.591 342 H HN -0.028 nan 8.280 nan 0.000 0.510 343 P HA -0.179 nan 4.420 nan 0.000 0.217 343 P C 1.126 178.500 177.300 0.123 0.000 1.148 343 P CA 1.228 64.375 63.100 0.077 0.000 0.828 343 P CB 0.549 32.289 31.700 0.067 0.000 0.783 344 E N -0.682 119.605 120.200 0.145 0.000 2.267 344 E HA -0.091 4.260 4.350 0.001 0.000 0.197 344 E C 0.631 177.295 176.600 0.107 0.000 0.998 344 E CA 0.531 57.030 56.400 0.165 0.000 0.830 344 E CB -0.711 29.108 29.700 0.198 0.000 0.751 344 E HN 0.338 nan 8.360 nan 0.000 0.491 345 I N 0.973 121.559 120.570 0.027 0.000 2.329 345 I HA 0.081 4.252 4.170 0.001 0.000 0.295 345 I C 1.325 177.475 176.117 0.054 0.000 1.109 345 I CA -0.160 61.111 61.300 -0.048 0.000 1.297 345 I CB 1.076 38.968 38.000 -0.180 0.000 1.433 345 I HN 0.059 nan 8.210 nan 0.000 0.509 346 G N 4.048 112.907 108.800 0.098 0.000 2.939 346 G HA2 -0.001 3.960 3.960 0.001 0.000 0.210 346 G HA3 -0.001 3.960 3.960 0.001 0.000 0.210 346 G C 0.004 175.053 174.900 0.248 0.000 1.160 346 G CA 0.239 45.558 45.100 0.364 0.000 0.770 346 G HN 0.574 nan 8.290 nan 0.000 0.543 347 D N -1.188 119.256 120.400 0.074 0.000 2.769 347 D HA 0.425 5.066 4.640 0.001 0.000 0.219 347 D C -1.382 174.926 176.300 0.014 0.000 1.245 347 D CA -0.335 53.702 54.000 0.062 0.000 0.801 347 D CB 2.154 42.996 40.800 0.069 0.000 1.598 347 D HN -0.123 nan 8.370 nan 0.000 0.485 348 V N 3.849 123.779 119.914 0.027 0.000 2.525 348 V HA 0.737 4.858 4.120 0.001 0.000 0.299 348 V C -0.214 175.901 176.094 0.035 0.000 1.034 348 V CA -0.583 61.728 62.300 0.018 0.000 0.863 348 V CB 1.538 33.369 31.823 0.013 0.000 0.999 348 V HN 0.690 nan 8.190 nan 0.000 0.423 349 R N 2.984 123.508 120.500 0.040 0.000 2.766 349 R HA 0.955 5.296 4.340 0.001 0.000 0.270 349 R C -0.365 175.969 176.300 0.057 0.000 1.035 349 R CA -0.654 55.477 56.100 0.052 0.000 0.911 349 R CB 2.259 32.600 30.300 0.067 0.000 1.243 349 R HN 1.281 nan 8.270 nan 0.000 0.460 350 G N 0.662 109.488 108.800 0.044 0.000 2.306 350 G HA2 0.186 4.147 3.960 0.001 0.000 0.340 350 G HA3 0.186 4.147 3.960 0.001 0.000 0.340 350 G C -1.440 173.456 174.900 -0.006 0.000 1.630 350 G CA -1.062 44.050 45.100 0.019 0.000 0.937 350 G HN 0.400 nan 8.290 nan 0.000 0.693 351 L N 2.081 123.280 121.223 -0.040 0.000 2.334 351 L HA 0.625 4.966 4.340 0.001 0.000 0.277 351 L C 1.707 178.546 176.870 -0.051 0.000 1.075 351 L CA 0.609 55.427 54.840 -0.036 0.000 0.804 351 L CB 1.046 43.081 42.059 -0.040 0.000 1.174 351 L HN 1.804 nan 8.230 nan 0.000 0.438 352 G N 2.633 111.413 108.800 -0.032 0.000 2.651 352 G HA2 -0.380 3.580 3.960 0.001 0.000 0.315 352 G HA3 -0.380 3.580 3.960 0.001 0.000 0.315 352 G C 0.562 175.441 174.900 -0.036 0.000 1.258 352 G CA 0.466 45.546 45.100 -0.033 0.000 1.002 352 G HN 0.955 nan 8.290 nan 0.000 0.551 353 A N -0.808 121.984 122.820 -0.047 0.000 2.460 353 A HA 0.676 4.997 4.320 0.001 0.000 0.258 353 A C 1.206 178.761 177.584 -0.048 0.000 1.300 353 A CA 1.030 53.039 52.037 -0.047 0.000 0.913 353 A CB -0.016 18.952 19.000 -0.054 0.000 1.031 353 A HN 0.829 nan 8.150 nan 0.000 0.512 354 M N 2.046 121.587 119.600 -0.097 0.000 3.396 354 M HA 0.293 4.774 4.480 0.001 0.000 0.255 354 M C -1.257 175.030 176.300 -0.022 0.000 1.398 354 M CA -0.119 55.052 55.300 -0.215 0.000 1.554 354 M CB -0.391 31.917 32.600 -0.487 0.000 1.070 354 M HN 0.081 nan 8.290 nan 0.000 0.587 355 I N 2.123 122.806 120.570 0.187 0.000 2.440 355 I HA 0.689 4.860 4.170 0.001 0.000 0.294 355 I C 0.199 176.480 176.117 0.275 0.000 0.995 355 I CA -0.583 60.836 61.300 0.199 0.000 1.306 355 I CB 0.829 38.878 38.000 0.081 0.000 1.407 355 I HN 0.549 nan 8.210 nan 0.000 0.501 356 A N 6.969 129.889 122.820 0.166 0.000 2.606 356 A HA 0.892 5.213 4.320 0.001 0.000 0.293 356 A C -0.882 176.694 177.584 -0.013 0.000 1.082 356 A CA -0.571 51.471 52.037 0.010 0.000 0.685 356 A CB 2.129 21.074 19.000 -0.091 0.000 1.284 356 A HN 0.682 nan 8.150 nan 0.000 0.408 357 I N -1.916 118.623 120.570 -0.051 0.000 2.785 357 I HA 0.856 5.027 4.170 0.001 0.000 0.302 357 I C -0.635 175.421 176.117 -0.101 0.000 1.069 357 I CA -0.590 60.680 61.300 -0.051 0.000 1.045 357 I CB 2.218 40.202 38.000 -0.027 0.000 1.236 357 I HN 0.750 nan 8.210 nan 0.000 0.429 358 E N 5.143 125.252 120.200 -0.152 0.000 2.210 358 E HA 0.591 4.942 4.350 0.001 0.000 0.266 358 E C -1.738 174.579 176.600 -0.470 0.000 0.883 358 E CA -0.801 55.426 56.400 -0.287 0.000 0.761 358 E CB 2.082 31.612 29.700 -0.282 0.000 1.156 358 E HN 0.677 nan 8.360 nan 0.000 0.412 359 L N 4.859 125.823 121.223 -0.431 0.000 2.309 359 L HA 0.543 4.884 4.340 0.001 0.000 0.282 359 L C -0.718 175.868 176.870 -0.473 0.000 1.036 359 L CA -0.698 53.948 54.840 -0.324 0.000 0.806 359 L CB 0.742 42.777 42.059 -0.040 0.000 1.220 359 L HN 0.551 nan 8.230 nan 0.000 0.429 360 F N 0.029 120.055 119.950 0.127 0.000 2.551 360 F HA 0.329 4.857 4.527 0.001 0.000 0.316 360 F C 0.354 176.219 175.800 0.109 0.000 1.089 360 F CA -1.008 57.068 58.000 0.126 0.000 0.915 360 F CB 1.842 40.947 39.000 0.176 0.000 1.186 360 F HN 0.430 nan 8.300 nan 0.000 0.456 361 E N 1.343 121.717 120.200 0.290 0.000 2.417 361 E HA 0.002 4.353 4.350 0.001 0.000 0.261 361 E C -0.881 175.821 176.600 0.171 0.000 1.000 361 E CA 0.347 56.855 56.400 0.180 0.000 0.919 361 E CB 0.128 29.904 29.700 0.128 0.000 0.955 361 E HN 0.561 nan 8.360 nan 0.000 0.455 362 D N 2.506 122.990 120.400 0.141 0.000 2.704 362 D HA -0.184 4.457 4.640 0.001 0.000 0.232 362 D C 0.776 177.151 176.300 0.126 0.000 1.183 362 D CA 1.111 55.178 54.000 0.111 0.000 0.647 362 D CB -1.206 39.636 40.800 0.071 0.000 1.013 362 D HN 0.886 nan 8.370 nan 0.000 0.415 363 G N 0.795 109.717 108.800 0.204 0.000 2.380 363 G HA2 -0.357 3.604 3.960 0.001 0.000 0.298 363 G HA3 -0.357 3.604 3.960 0.001 0.000 0.298 363 G C -0.039 174.949 174.900 0.147 0.000 0.989 363 G CA 0.435 45.689 45.100 0.257 0.000 0.836 363 G HN 0.617 nan 8.290 nan 0.000 0.511 364 D N -0.680 119.798 120.400 0.130 0.000 2.380 364 D HA 0.377 5.017 4.640 0.001 0.000 0.230 364 D C 1.477 177.666 176.300 -0.186 0.000 1.154 364 D CA -0.858 53.121 54.000 -0.035 0.000 0.859 364 D CB 0.273 41.072 40.800 -0.001 0.000 1.045 364 D HN 0.233 nan 8.370 nan 0.000 0.495 365 H N 2.655 121.339 119.070 -0.644 0.000 2.518 365 H HA -0.132 4.425 4.556 0.001 0.000 0.294 365 H C 1.244 176.218 175.328 -0.589 0.000 1.083 365 H CA 1.258 56.611 56.048 -1.159 0.000 1.264 365 H CB 0.004 29.327 29.762 -0.732 0.000 1.370 365 H HN 0.552 nan 8.280 nan 0.000 0.560 366 N N 0.372 118.976 118.700 -0.160 0.000 2.280 366 N HA -0.035 4.706 4.740 0.001 0.000 0.192 366 N C -0.164 175.318 175.510 -0.047 0.000 1.109 366 N CA 0.103 53.109 53.050 -0.074 0.000 0.855 366 N CB 0.659 39.112 38.487 -0.055 0.000 0.974 366 N HN 0.178 nan 8.380 nan 0.000 0.482 367 K N 1.838 122.249 120.400 0.019 0.000 2.533 367 K HA 0.350 4.671 4.320 0.001 0.000 0.207 367 K C -2.701 174.051 176.600 0.254 0.000 1.052 367 K CA -1.657 54.686 56.287 0.093 0.000 1.030 367 K CB 1.372 33.926 32.500 0.090 0.000 1.522 367 K HN 0.000 nan 8.250 nan 0.000 0.543 368 P HA -0.089 nan 4.420 nan 0.000 0.263 368 P C -0.584 176.816 177.300 0.168 0.000 1.195 368 P CA 0.071 63.316 63.100 0.242 0.000 0.762 368 P CB 0.469 32.223 31.700 0.091 0.000 0.799 369 D N 3.128 123.612 120.400 0.140 0.000 2.557 369 D HA 0.256 4.897 4.640 0.001 0.000 0.236 369 D C 1.126 177.473 176.300 0.078 0.000 1.154 369 D CA -0.356 53.706 54.000 0.104 0.000 0.985 369 D CB 0.131 40.992 40.800 0.101 0.000 1.010 369 D HN 0.222 nan 8.370 nan 0.000 0.516 370 A N 3.262 126.145 122.820 0.105 0.000 2.014 370 A HA -0.125 4.196 4.320 0.001 0.000 0.218 370 A C 2.037 179.650 177.584 0.047 0.000 1.163 370 A CA 0.994 53.097 52.037 0.110 0.000 0.652 370 A CB 0.007 19.126 19.000 0.199 0.000 0.808 370 A HN 0.382 nan 8.150 nan 0.000 0.449 371 K N -0.829 119.592 120.400 0.035 0.000 2.057 371 K HA -0.069 4.252 4.320 0.001 0.000 0.206 371 K C 1.886 178.475 176.600 -0.017 0.000 1.050 371 K CA 1.248 57.536 56.287 0.002 0.000 0.935 371 K CB -0.330 32.175 32.500 0.007 0.000 0.715 371 K HN 0.374 nan 8.250 nan 0.000 0.439 372 L N 1.463 122.683 121.223 -0.005 0.000 2.017 372 L HA -0.171 4.170 4.340 0.001 0.000 0.208 372 L C 1.976 178.797 176.870 -0.082 0.000 1.073 372 L CA 1.966 56.785 54.840 -0.036 0.000 0.745 372 L CB -0.865 41.203 42.059 0.016 0.000 0.894 372 L HN 0.123 nan 8.230 nan 0.000 0.432 373 T N 0.027 114.557 114.554 -0.041 0.000 2.652 373 T HA -0.217 4.134 4.350 0.001 0.000 0.267 373 T C 1.889 176.543 174.700 -0.077 0.000 1.039 373 T CA 1.631 63.699 62.100 -0.053 0.000 1.153 373 T CB -0.648 68.214 68.868 -0.010 0.000 0.863 373 T HN 0.536 nan 8.240 nan 0.000 0.428 374 A N 1.053 123.838 122.820 -0.059 0.000 1.933 374 A HA -0.124 4.197 4.320 0.001 0.000 0.218 374 A C 2.206 179.737 177.584 -0.088 0.000 1.175 374 A CA 1.859 53.852 52.037 -0.073 0.000 0.628 374 A CB -0.576 18.381 19.000 -0.072 0.000 0.814 374 A HN 0.632 nan 8.150 nan 0.000 0.444 375 E N -0.283 119.858 120.200 -0.098 0.000 2.072 375 E HA -0.159 4.192 4.350 0.001 0.000 0.191 375 E C 1.772 178.275 176.600 -0.162 0.000 0.985 375 E CA 1.147 57.478 56.400 -0.114 0.000 0.801 375 E CB -0.107 29.526 29.700 -0.111 0.000 0.750 375 E HN 0.494 nan 8.360 nan 0.000 0.452 376 I N 0.941 121.371 120.570 -0.234 0.000 2.226 376 I HA -0.214 3.957 4.170 0.001 0.000 0.245 376 I C 2.505 178.513 176.117 -0.182 0.000 1.100 376 I CA 0.761 61.869 61.300 -0.319 0.000 1.374 376 I CB -1.150 36.552 38.000 -0.498 0.000 1.057 376 I HN 0.095 nan 8.210 nan 0.000 0.413 377 V N 1.467 121.312 119.914 -0.115 0.000 2.287 377 V HA -0.285 3.835 4.120 0.001 0.000 0.248 377 V C 2.816 178.907 176.094 -0.005 0.000 1.053 377 V CA 1.991 64.269 62.300 -0.036 0.000 1.027 377 V CB -1.106 30.704 31.823 -0.021 0.000 0.646 377 V HN 0.472 nan 8.190 nan 0.000 0.447 378 A N -0.347 122.451 122.820 -0.036 0.000 1.898 378 A HA -0.176 4.145 4.320 0.001 0.000 0.216 378 A C 2.360 179.924 177.584 -0.033 0.000 1.181 378 A CA 1.538 53.565 52.037 -0.017 0.000 0.620 378 A CB -0.453 18.525 19.000 -0.035 0.000 0.819 378 A HN 0.499 nan 8.150 nan 0.000 0.442 379 R N -0.465 119.989 120.500 -0.075 0.000 2.120 379 R HA -0.051 4.290 4.340 0.001 0.000 0.234 379 R C 2.425 178.676 176.300 -0.081 0.000 1.123 379 R CA 1.084 57.134 56.100 -0.084 0.000 0.975 379 R CB -0.403 29.823 30.300 -0.123 0.000 0.866 379 R HN 0.515 nan 8.270 nan 0.000 0.446 380 A N 1.357 124.122 122.820 -0.091 0.000 1.898 380 A HA -0.183 4.138 4.320 0.001 0.000 0.216 380 A C 2.132 179.673 177.584 -0.071 0.000 1.181 380 A CA 1.268 53.247 52.037 -0.097 0.000 0.620 380 A CB -0.493 18.443 19.000 -0.107 0.000 0.819 380 A HN 0.235 nan 8.150 nan 0.000 0.442 381 R N -0.228 120.251 120.500 -0.034 0.000 2.091 381 R HA -0.194 4.147 4.340 0.001 0.000 0.238 381 R C 1.131 177.452 176.300 0.035 0.000 1.136 381 R CA 1.989 58.086 56.100 -0.005 0.000 0.959 381 R CB -0.507 29.825 30.300 0.052 0.000 0.856 381 R HN 0.388 nan 8.270 nan 0.000 0.437 382 D N 0.482 120.885 120.400 0.006 0.000 2.263 382 D HA -0.111 4.530 4.640 0.001 0.000 0.208 382 D C 1.020 177.294 176.300 -0.044 0.000 0.971 382 D CA 1.224 55.219 54.000 -0.008 0.000 0.867 382 D CB 0.062 40.850 40.800 -0.019 0.000 0.929 382 D HN 0.313 nan 8.370 nan 0.000 0.492 383 K N -0.827 119.535 120.400 -0.062 0.000 2.387 383 K HA 0.245 4.566 4.320 0.001 0.000 0.198 383 K C 0.893 177.420 176.600 -0.122 0.000 1.022 383 K CA 0.281 56.514 56.287 -0.090 0.000 1.128 383 K CB 0.949 33.394 32.500 -0.092 0.000 0.853 383 K HN 0.075 nan 8.250 nan 0.000 0.523 384 G N 1.635 110.372 108.800 -0.105 0.000 2.132 384 G HA2 -0.234 3.727 3.960 0.001 0.000 0.234 384 G HA3 -0.234 3.727 3.960 0.001 0.000 0.234 384 G C -0.462 174.406 174.900 -0.054 0.000 0.989 384 G CA -0.108 44.905 45.100 -0.144 0.000 0.676 384 G HN 0.205 nan 8.290 nan 0.000 0.522 385 L N 1.425 122.595 121.223 -0.087 0.000 2.322 385 L HA 0.774 5.115 4.340 0.001 0.000 0.281 385 L C -0.190 176.580 176.870 -0.167 0.000 1.014 385 L CA -1.400 53.336 54.840 -0.174 0.000 0.815 385 L CB 1.022 42.910 42.059 -0.285 0.000 1.247 385 L HN 0.050 nan 8.230 nan 0.000 0.421 386 I N 6.821 127.283 120.570 -0.180 0.000 2.312 386 I HA 0.375 4.546 4.170 0.001 0.000 0.290 386 I C -0.201 175.867 176.117 -0.081 0.000 1.008 386 I CA -0.193 60.928 61.300 -0.297 0.000 1.226 386 I CB 0.827 38.636 38.000 -0.318 0.000 1.371 386 I HN 0.584 nan 8.210 nan 0.000 0.468 387 L N 6.462 127.680 121.223 -0.008 0.000 2.301 387 L HA 0.655 4.996 4.340 0.001 0.000 0.264 387 L C -0.572 176.385 176.870 0.145 0.000 1.016 387 L CA -0.830 54.064 54.840 0.091 0.000 0.821 387 L CB 2.717 44.807 42.059 0.052 0.000 1.346 387 L HN 0.306 nan 8.230 nan 0.000 0.429 388 L N 0.175 121.429 121.223 0.051 0.000 2.354 388 L HA 0.608 4.949 4.340 0.001 0.000 0.264 388 L C -0.211 176.613 176.870 -0.076 0.000 1.008 388 L CA -0.442 54.391 54.840 -0.011 0.000 0.819 388 L CB 2.307 44.341 42.059 -0.042 0.000 1.339 388 L HN 0.739 nan 8.230 nan 0.000 0.420 389 S N -0.073 115.576 115.700 -0.086 0.000 2.767 389 S HA 0.885 5.356 4.470 0.001 0.000 0.300 389 S C -0.320 174.204 174.600 -0.126 0.000 1.123 389 S CA -0.521 57.618 58.200 -0.103 0.000 0.992 389 S CB 2.071 65.242 63.200 -0.049 0.000 1.138 389 S HN 0.936 nan 8.310 nan 0.000 0.550 390 C N -2.759 116.463 119.300 -0.130 0.000 3.253 390 C HA 0.951 5.412 4.460 0.001 0.000 0.361 390 C C 0.150 175.066 174.990 -0.124 0.000 1.498 390 C CA -0.162 58.777 59.018 -0.130 0.000 1.163 390 C CB 0.199 27.797 27.740 -0.237 0.000 1.687 390 C HN 2.605 nan 8.230 nan 0.000 0.430 391 G N 0.917 109.637 108.800 -0.133 0.000 2.788 391 G HA2 0.182 4.143 3.960 0.001 0.000 0.686 391 G HA3 0.182 4.143 3.960 0.001 0.000 0.686 391 G C -1.714 173.001 174.900 -0.307 0.000 1.147 391 G CA 0.003 45.020 45.100 -0.138 0.000 0.755 391 G HN 0.836 nan 8.290 nan 0.000 0.634 392 P HA -0.136 nan 4.420 nan 0.000 0.221 392 P C 0.816 177.406 177.300 -1.184 0.000 1.145 392 P CA 1.589 64.259 63.100 -0.718 0.000 0.795 392 P CB -0.007 31.262 31.700 -0.718 0.000 0.775 393 Y N -2.721 117.248 120.300 -0.551 0.000 2.555 393 Y HA 0.209 4.760 4.550 0.001 0.000 0.259 393 Y C 0.354 176.050 175.900 -0.340 0.000 1.179 393 Y CA -0.661 57.157 58.100 -0.471 0.000 1.230 393 Y CB -0.554 37.813 38.460 -0.155 0.000 1.146 393 Y HN -0.198 nan 8.280 nan 0.000 0.526 394 Y N 0.108 120.432 120.300 0.040 0.000 3.825 394 Y HA -0.336 4.215 4.550 0.002 0.000 0.221 394 Y C 0.645 176.543 175.900 -0.003 0.000 1.195 394 Y CA 0.575 58.671 58.100 -0.007 0.000 1.699 394 Y CB -2.224 36.225 38.460 -0.018 0.000 1.531 394 Y HN 0.467 nan 8.280 nan 0.000 0.640 395 N N -0.959 117.787 118.700 0.077 0.000 2.282 395 N HA 0.284 5.025 4.740 0.001 0.000 0.240 395 N C -0.735 174.740 175.510 -0.059 0.000 1.182 395 N CA 0.075 53.140 53.050 0.025 0.000 0.874 395 N CB 0.462 38.969 38.487 0.032 0.000 1.126 395 N HN 0.165 nan 8.380 nan 0.000 0.516 396 V N 1.431 121.298 119.914 -0.078 0.000 2.448 396 V HA 0.427 4.547 4.120 0.001 0.000 0.295 396 V C -0.085 175.912 176.094 -0.162 0.000 1.025 396 V CA -0.774 61.437 62.300 -0.149 0.000 0.859 396 V CB 2.164 33.855 31.823 -0.220 0.000 0.988 396 V HN 0.149 nan 8.190 nan 0.000 0.431 397 L N 6.391 127.531 121.223 -0.138 0.000 2.282 397 L HA 0.656 4.997 4.340 0.001 0.000 0.288 397 L C 0.346 177.095 176.870 -0.201 0.000 1.033 397 L CA -0.436 54.333 54.840 -0.119 0.000 0.807 397 L CB 1.247 43.295 42.059 -0.018 0.000 1.209 397 L HN 0.741 nan 8.230 nan 0.000 0.423 398 R N 3.598 123.920 120.500 -0.295 0.000 2.828 398 R HA 0.812 5.152 4.340 0.001 0.000 0.264 398 R C -1.082 175.124 176.300 -0.158 0.000 1.022 398 R CA -0.886 54.941 56.100 -0.454 0.000 1.021 398 R CB 1.832 31.427 30.300 -1.174 0.000 1.163 398 R HN 0.416 nan 8.270 nan 0.000 0.494 399 I N 2.268 122.819 120.570 -0.033 0.000 2.418 399 I HA 0.236 4.407 4.170 0.001 0.000 0.287 399 I C -0.168 175.956 176.117 0.011 0.000 1.008 399 I CA -0.696 60.601 61.300 -0.006 0.000 1.104 399 I CB 1.933 39.903 38.000 -0.051 0.000 1.264 399 I HN 0.543 nan 8.210 nan 0.000 0.438 400 L N 7.151 128.353 121.223 -0.035 0.000 3.288 400 L HA 0.293 4.633 4.340 0.001 0.000 0.293 400 L C 0.125 176.936 176.870 -0.099 0.000 1.294 400 L CA -0.214 54.620 54.840 -0.010 0.000 1.006 400 L CB 1.199 43.293 42.059 0.057 0.000 1.407 400 L HN 0.373 nan 8.230 nan 0.000 0.592 401 V N 1.918 121.672 119.914 -0.267 0.000 2.788 401 V HA 0.114 4.235 4.120 0.001 0.000 0.307 401 V C -1.703 174.289 176.094 -0.170 0.000 1.069 401 V CA -0.911 61.215 62.300 -0.288 0.000 1.173 401 V CB 1.060 32.443 31.823 -0.735 0.000 0.925 401 V HN 0.103 nan 8.190 nan 0.000 0.492 402 P HA 0.026 nan 4.420 nan 0.000 0.266 402 P C 0.741 177.988 177.300 -0.089 0.000 1.193 402 P CA 0.334 63.389 63.100 -0.074 0.000 0.770 402 P CB 0.333 32.010 31.700 -0.039 0.000 0.836 403 L N 1.374 122.542 121.223 -0.093 0.000 2.376 403 L HA -0.084 4.256 4.340 0.001 0.000 0.219 403 L C 1.723 178.533 176.870 -0.100 0.000 1.133 403 L CA 1.463 56.239 54.840 -0.108 0.000 0.816 403 L CB -1.091 40.880 42.059 -0.147 0.000 0.933 403 L HN 0.470 nan 8.230 nan 0.000 0.449 404 T N -2.345 112.162 114.554 -0.078 0.000 3.219 404 T HA 0.134 4.485 4.350 0.001 0.000 0.249 404 T C 0.776 175.462 174.700 -0.023 0.000 1.099 404 T CA -0.314 61.758 62.100 -0.045 0.000 0.988 404 T CB -0.456 68.407 68.868 -0.008 0.000 0.999 404 T HN 0.141 nan 8.240 nan 0.000 0.550 405 I N 2.106 122.660 120.570 -0.028 0.000 2.880 405 I HA 0.006 4.177 4.170 0.001 0.000 0.296 405 I C 0.273 176.395 176.117 0.008 0.000 1.220 405 I CA -0.043 61.256 61.300 -0.002 0.000 1.435 405 I CB 0.595 38.584 38.000 -0.019 0.000 1.339 405 I HN 0.315 nan 8.210 nan 0.000 0.583 406 E N 5.873 126.088 120.200 0.025 0.000 2.366 406 E HA -0.010 4.340 4.350 0.001 0.000 0.266 406 E C 0.464 177.080 176.600 0.027 0.000 1.051 406 E CA -0.521 55.892 56.400 0.022 0.000 0.884 406 E CB 0.635 30.351 29.700 0.027 0.000 1.006 406 E HN 0.551 nan 8.360 nan 0.000 0.417 407 D N 2.140 122.552 120.400 0.020 0.000 2.133 407 D HA -0.239 4.401 4.640 0.001 0.000 0.195 407 D C 1.738 178.057 176.300 0.031 0.000 0.997 407 D CA 1.694 55.707 54.000 0.022 0.000 0.840 407 D CB -0.288 40.522 40.800 0.016 0.000 0.947 407 D HN 0.541 nan 8.370 nan 0.000 0.452 408 A N 0.849 123.686 122.820 0.027 0.000 1.933 408 A HA -0.236 4.085 4.320 0.001 0.000 0.218 408 A C 2.132 179.739 177.584 0.037 0.000 1.175 408 A CA 1.468 53.521 52.037 0.026 0.000 0.628 408 A CB -0.619 18.392 19.000 0.018 0.000 0.814 408 A HN 0.255 nan 8.150 nan 0.000 0.444 409 Q N -0.687 119.145 119.800 0.053 0.000 2.230 409 Q HA -0.015 4.325 4.340 0.001 0.000 0.202 409 Q C 1.887 177.979 176.000 0.154 0.000 0.963 409 Q CA 1.071 56.926 55.803 0.087 0.000 0.866 409 Q CB -0.255 28.547 28.738 0.107 0.000 0.931 409 Q HN 0.761 nan 8.270 nan 0.000 0.452 410 I N 0.383 121.031 120.570 0.129 0.000 2.202 410 I HA -0.279 3.892 4.170 0.001 0.000 0.242 410 I C 2.286 178.481 176.117 0.129 0.000 1.091 410 I CA 0.924 62.317 61.300 0.155 0.000 1.368 410 I CB -0.212 37.836 38.000 0.080 0.000 1.058 410 I HN 0.149 nan 8.210 nan 0.000 0.410 411 R N 0.576 121.120 120.500 0.073 0.000 2.083 411 R HA -0.228 4.113 4.340 0.001 0.000 0.237 411 R C 2.130 178.447 176.300 0.028 0.000 1.137 411 R CA 1.504 57.631 56.100 0.046 0.000 0.951 411 R CB -0.967 29.350 30.300 0.029 0.000 0.851 411 R HN 0.538 nan 8.270 nan 0.000 0.434 412 Q N 0.006 119.815 119.800 0.016 0.000 2.050 412 Q HA -0.117 4.224 4.340 0.001 0.000 0.202 412 Q C 2.032 177.978 176.000 -0.091 0.000 0.980 412 Q CA 1.924 57.707 55.803 -0.033 0.000 0.840 412 Q CB -0.317 28.395 28.738 -0.042 0.000 0.898 412 Q HN 0.417 nan 8.270 nan 0.000 0.424 413 G N 1.014 109.750 108.800 -0.107 0.000 2.421 413 G HA2 -0.227 3.734 3.960 0.001 0.000 0.216 413 G HA3 -0.227 3.734 3.960 0.001 0.000 0.216 413 G C 1.423 176.240 174.900 -0.140 0.000 1.171 413 G CA 0.738 45.614 45.100 -0.375 0.000 0.775 413 G HN 0.312 nan 8.290 nan 0.000 0.543 414 L N 0.132 121.381 121.223 0.043 0.000 2.046 414 L HA -0.076 4.265 4.340 0.001 0.000 0.208 414 L C 2.814 179.701 176.870 0.028 0.000 1.077 414 L CA 1.514 56.395 54.840 0.068 0.000 0.747 414 L CB -0.317 41.795 42.059 0.087 0.000 0.896 414 L HN 0.256 nan 8.230 nan 0.000 0.432 415 E N 0.973 121.177 120.200 0.006 0.000 2.051 415 E HA -0.219 4.132 4.350 0.001 0.000 0.192 415 E C 2.036 178.627 176.600 -0.015 0.000 0.991 415 E CA 1.562 57.963 56.400 0.001 0.000 0.799 415 E CB -0.257 29.438 29.700 -0.008 0.000 0.748 415 E HN 0.418 nan 8.360 nan 0.000 0.449 416 I N 0.144 120.678 120.570 -0.060 0.000 2.226 416 I HA -0.256 3.915 4.170 0.001 0.000 0.245 416 I C 2.355 178.438 176.117 -0.056 0.000 1.100 416 I CA 1.038 62.288 61.300 -0.083 0.000 1.374 416 I CB -0.261 37.648 38.000 -0.152 0.000 1.057 416 I HN 0.167 nan 8.210 nan 0.000 0.413 417 I N -0.204 120.345 120.570 -0.035 0.000 2.226 417 I HA -0.329 3.842 4.170 0.001 0.000 0.245 417 I C 2.787 178.995 176.117 0.152 0.000 1.100 417 I CA 1.396 62.725 61.300 0.048 0.000 1.374 417 I CB -0.346 37.719 38.000 0.109 0.000 1.057 417 I HN 0.218 nan 8.210 nan 0.000 0.413 418 S N 0.343 116.114 115.700 0.118 0.000 2.359 418 S HA -0.276 4.195 4.470 0.001 0.000 0.224 418 S C 2.015 176.686 174.600 0.119 0.000 1.035 418 S CA 1.728 60.012 58.200 0.139 0.000 1.018 418 S CB -0.193 63.062 63.200 0.091 0.000 0.876 418 S HN 0.451 nan 8.310 nan 0.000 0.448 419 Q N -0.371 119.461 119.800 0.055 0.000 2.084 419 Q HA -0.123 4.218 4.340 0.001 0.000 0.202 419 Q C 2.585 178.581 176.000 -0.007 0.000 0.978 419 Q CA 1.740 57.559 55.803 0.027 0.000 0.844 419 Q CB -0.496 28.239 28.738 -0.005 0.000 0.898 419 Q HN 0.633 nan 8.270 nan 0.000 0.426 420 C N -0.113 119.154 119.300 -0.054 0.000 2.413 420 C HA -0.149 4.312 4.460 0.001 0.000 0.276 420 C C 2.319 177.165 174.990 -0.241 0.000 1.248 420 C CA 0.626 59.545 59.018 -0.165 0.000 1.742 420 C CB -1.060 26.530 27.740 -0.251 0.000 2.017 420 C HN 0.438 nan 8.230 nan 0.000 0.481 421 F N 1.206 121.036 119.950 -0.200 0.000 2.146 421 F HA -0.117 4.411 4.527 0.002 0.000 0.298 421 F C 2.247 177.870 175.800 -0.295 0.000 1.096 421 F CA 1.758 59.513 58.000 -0.409 0.000 1.275 421 F CB -0.464 38.045 39.000 -0.818 0.000 1.008 421 F HN 0.213 nan 8.300 nan 0.000 0.480 422 D N 0.120 120.575 120.400 0.092 0.000 2.117 422 D HA -0.153 4.487 4.640 0.001 0.000 0.197 422 D C 1.960 178.324 176.300 0.107 0.000 0.987 422 D CA 1.302 55.427 54.000 0.208 0.000 0.829 422 D CB -0.386 40.520 40.800 0.175 0.000 0.961 422 D HN 0.396 nan 8.370 nan 0.000 0.460 423 E N 0.147 120.366 120.200 0.033 0.000 2.285 423 E HA 0.046 4.397 4.350 0.001 0.000 0.194 423 E C 1.898 178.492 176.600 -0.010 0.000 0.997 423 E CA 0.501 56.905 56.400 0.006 0.000 0.845 423 E CB 0.152 29.841 29.700 -0.019 0.000 0.782 423 E HN 0.166 nan 8.360 nan 0.000 0.491 424 A N 1.393 124.190 122.820 -0.037 0.000 1.970 424 A HA -0.102 4.219 4.320 0.001 0.000 0.216 424 A C 2.002 179.595 177.584 0.015 0.000 1.170 424 A CA 0.885 52.892 52.037 -0.049 0.000 0.645 424 A CB -0.114 18.805 19.000 -0.137 0.000 0.816 424 A HN -0.007 nan 8.150 nan 0.000 0.447 425 K N -0.269 120.175 120.400 0.073 0.000 2.418 425 K HA 0.031 4.352 4.320 0.001 0.000 0.195 425 K C 0.863 177.512 176.600 0.083 0.000 1.035 425 K CA 0.031 56.389 56.287 0.119 0.000 1.003 425 K CB -0.034 32.609 32.500 0.239 0.000 0.793 425 K HN 0.644 nan 8.250 nan 0.000 0.494 426 Q N 0.000 119.836 119.800 0.060 0.000 2.315 426 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 426 Q CA 0.000 55.828 55.803 0.042 0.000 1.022 426 Q CB 0.000 28.756 28.738 0.030 0.000 1.108 426 Q HN 0.000 nan 8.270 nan 0.000 0.481