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 2q5l_1_B DATA FIRST_RESID -4 DATA SEQUENCE PRGSHMKLAE ALLRALKDRG AQAMFGIPGD FALPFFKVAE ETQILPLHTL DATA SEQUENCE SHEPAVGFAA DAAARYSSTL GVAAVTYGAG AFNMVNAVAG AYAEKSPVVV DATA SEQUENCE ISGAPGTTEG NAGLLLXXXX XXXDTQFQVF KEITVAQARL DDPAKAPAEI DATA SEQUENCE ARVLGAARAQ SRPVYLEIPR NMVNAEVEPV GDDPAWPVDR DALAACADEV DATA SEQUENCE LAAMRSATSP VLMVCVEVRR YGLEAKVAEL AQRLGVPVVT TFMGRGLLAD DATA SEQUENCE APTPPLGTYI GVAGDAEITR LVEESDGLFL LGAILSDTNF AVSQRKIDLR DATA SEQUENCE KTIHAFDRAV TLGYHTYADI PLAGLVDALL ERLPPSDRTT RGKEPHAYPT DATA SEQUENCE GLQADGEPIA PMDIARAVND RVRAGQEPLL IAADMGDCLF TAMDMIDAGL DATA SEQUENCE MAPGYYAGMG FGVPAGIGAQ CVSGGKRILT VVGDGAFQMT GWELGNCRRL DATA SEQUENCE GIDPIVILFN NASWEMLRTF QPESAFNDLD DWRFADMAAG MGGDGVRVRT DATA SEQUENCE RAELKAALDK AFATRGRFQL IEAMIPRGVL SDTLARFVQG QK 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 -4 P HA 0.000 nan 4.420 nan 0.000 0.216 -4 P C 0.000 177.301 177.300 0.002 0.000 1.155 -4 P CA 0.000 63.101 63.100 0.001 0.000 0.800 -4 P CB 0.000 31.702 31.700 0.003 0.000 0.726 -3 R N 1.327 121.826 120.500 -0.003 0.000 2.921 -3 R HA -0.254 4.090 4.340 0.006 0.000 0.193 -3 R C 1.263 177.558 176.300 -0.008 0.000 0.860 -3 R CA 2.367 58.464 56.100 -0.006 0.000 1.474 -3 R CB -1.937 28.364 30.300 0.001 0.000 0.643 -3 R HN 1.224 nan 8.270 nan 0.000 0.634 -2 G N 0.195 108.998 108.800 0.006 0.000 2.200 -2 G HA2 -0.362 3.602 3.960 0.006 0.000 0.268 -2 G HA3 -0.362 3.602 3.960 0.006 0.000 0.268 -2 G C 0.048 174.946 174.900 -0.003 0.000 0.986 -2 G CA 0.973 46.084 45.100 0.018 0.000 0.677 -2 G HN 0.485 nan 8.290 nan 0.000 0.532 -1 S N -0.001 115.674 115.700 -0.041 0.000 2.652 -1 S HA 0.711 5.184 4.470 0.006 0.000 0.270 -1 S C 0.000 174.561 174.600 -0.066 0.000 1.243 -1 S CA 0.215 58.331 58.200 -0.140 0.000 0.999 -1 S CB 1.065 64.198 63.200 -0.110 0.000 0.973 -1 S HN 0.986 nan 8.310 nan 0.000 0.544 0 H N -1.605 117.465 119.070 -0.001 0.000 3.037 0 H HA 0.746 5.301 4.556 -0.001 0.000 0.355 0 H C -0.816 174.511 175.328 -0.002 0.000 1.263 0 H CA -1.216 54.832 56.048 -0.000 0.000 1.129 0 H CB 0.679 30.441 29.762 0.000 0.000 1.861 0 H HN 0.654 nan 8.280 nan 0.000 0.546 1 M N -1.029 118.683 119.600 0.187 0.000 2.755 1 M HA 0.562 5.045 4.480 0.006 0.000 0.273 1 M C -1.446 174.911 176.300 0.095 0.000 1.278 1 M CA -1.255 54.114 55.300 0.116 0.000 0.819 1 M CB 2.269 34.897 32.600 0.046 0.000 1.694 1 M HN 0.420 nan 8.290 nan 0.000 0.460 2 K N 1.040 121.478 120.400 0.062 0.000 2.436 2 K HA 0.152 4.475 4.320 0.006 0.000 0.275 2 K C 0.731 177.359 176.600 0.047 0.000 0.999 2 K CA -0.153 56.162 56.287 0.046 0.000 0.980 2 K CB 1.157 33.676 32.500 0.031 0.000 0.919 2 K HN 0.657 nan 8.250 nan 0.000 0.484 3 L N 3.092 124.344 121.223 0.048 0.000 2.013 3 L HA -0.315 4.029 4.340 0.006 0.000 0.212 3 L C 2.176 179.097 176.870 0.084 0.000 1.073 3 L CA 2.052 56.924 54.840 0.054 0.000 0.753 3 L CB -0.327 41.759 42.059 0.044 0.000 0.890 3 L HN 0.903 nan 8.230 nan 0.000 0.432 4 A N -0.689 122.203 122.820 0.121 0.000 1.908 4 A HA -0.307 4.016 4.320 0.006 0.000 0.218 4 A C 2.228 179.861 177.584 0.082 0.000 1.181 4 A CA 2.013 54.172 52.037 0.203 0.000 0.627 4 A CB -0.688 18.423 19.000 0.185 0.000 0.818 4 A HN 0.665 nan 8.150 nan 0.000 0.445 5 E N -0.320 119.891 120.200 0.018 0.000 2.106 5 E HA -0.071 4.282 4.350 0.006 0.000 0.192 5 E C 2.134 178.739 176.600 0.007 0.000 0.984 5 E CA 0.858 57.249 56.400 -0.015 0.000 0.806 5 E CB -0.236 29.453 29.700 -0.018 0.000 0.750 5 E HN 0.544 nan 8.360 nan 0.000 0.458 6 A N 1.068 123.905 122.820 0.028 0.000 1.933 6 A HA -0.168 4.156 4.320 0.006 0.000 0.218 6 A C 2.103 179.706 177.584 0.032 0.000 1.175 6 A CA 1.253 53.307 52.037 0.028 0.000 0.628 6 A CB -0.571 18.450 19.000 0.035 0.000 0.814 6 A HN 0.385 nan 8.150 nan 0.000 0.444 7 L N -0.281 120.975 121.223 0.055 0.000 2.027 7 L HA -0.049 4.294 4.340 0.006 0.000 0.206 7 L C 2.241 179.144 176.870 0.054 0.000 1.074 7 L CA 1.656 56.534 54.840 0.063 0.000 0.745 7 L CB -0.654 41.467 42.059 0.104 0.000 0.898 7 L HN 0.377 nan 8.230 nan 0.000 0.433 8 L N -0.666 120.586 121.223 0.049 0.000 2.042 8 L HA -0.213 4.130 4.340 0.006 0.000 0.210 8 L C 2.797 179.659 176.870 -0.013 0.000 1.076 8 L CA 1.469 56.310 54.840 0.001 0.000 0.749 8 L CB -0.505 41.513 42.059 -0.068 0.000 0.893 8 L HN 0.244 nan 8.230 nan 0.000 0.432 9 R N -0.341 120.153 120.500 -0.011 0.000 2.092 9 R HA -0.103 4.240 4.340 0.006 0.000 0.231 9 R C 2.432 178.731 176.300 -0.002 0.000 1.119 9 R CA 1.172 57.265 56.100 -0.012 0.000 0.970 9 R CB -0.446 29.848 30.300 -0.010 0.000 0.864 9 R HN 0.357 nan 8.270 nan 0.000 0.440 10 A N 1.199 124.024 122.820 0.008 0.000 1.933 10 A HA -0.133 4.191 4.320 0.006 0.000 0.218 10 A C 2.139 179.730 177.584 0.011 0.000 1.175 10 A CA 1.157 53.201 52.037 0.012 0.000 0.628 10 A CB -0.456 18.555 19.000 0.018 0.000 0.814 10 A HN 0.167 nan 8.150 nan 0.000 0.444 11 L N -0.709 120.520 121.223 0.011 0.000 2.027 11 L HA -0.173 4.171 4.340 0.006 0.000 0.206 11 L C 2.630 179.503 176.870 0.004 0.000 1.074 11 L CA 1.901 56.748 54.840 0.011 0.000 0.745 11 L CB -0.392 41.675 42.059 0.012 0.000 0.898 11 L HN 0.429 nan 8.230 nan 0.000 0.433 12 K N 0.019 120.415 120.400 -0.006 0.000 2.097 12 K HA -0.204 4.119 4.320 0.006 0.000 0.206 12 K C 1.586 178.185 176.600 -0.003 0.000 1.049 12 K CA 1.582 57.862 56.287 -0.010 0.000 0.933 12 K CB -0.016 32.470 32.500 -0.022 0.000 0.717 12 K HN 0.246 nan 8.250 nan 0.000 0.442 13 D N 0.530 120.929 120.400 -0.001 0.000 2.218 13 D HA -0.125 4.518 4.640 0.006 0.000 0.204 13 D C 1.226 177.529 176.300 0.005 0.000 0.976 13 D CA 1.057 55.058 54.000 0.002 0.000 0.853 13 D CB 0.065 40.867 40.800 0.004 0.000 0.939 13 D HN 0.243 nan 8.370 nan 0.000 0.481 14 R N -0.868 119.636 120.500 0.008 0.000 2.388 14 R HA 0.277 4.620 4.340 0.006 0.000 0.247 14 R C 1.167 177.476 176.300 0.014 0.000 0.931 14 R CA 0.422 56.528 56.100 0.011 0.000 1.082 14 R CB 0.715 31.023 30.300 0.013 0.000 1.135 14 R HN 0.121 nan 8.270 nan 0.000 0.525 15 G N 0.295 109.104 108.800 0.014 0.000 2.194 15 G HA2 -0.298 3.666 3.960 0.006 0.000 0.236 15 G HA3 -0.298 3.666 3.960 0.006 0.000 0.236 15 G C 0.335 175.251 174.900 0.028 0.000 0.987 15 G CA -0.166 44.947 45.100 0.021 0.000 0.635 15 G HN 0.486 nan 8.290 nan 0.000 0.520 16 A N -0.035 122.799 122.820 0.024 0.000 2.531 16 A HA 0.528 4.851 4.320 0.006 0.000 0.236 16 A C 1.112 178.706 177.584 0.017 0.000 1.062 16 A CA 1.518 53.573 52.037 0.029 0.000 0.760 16 A CB 0.181 19.192 19.000 0.018 0.000 0.995 16 A HN 0.583 nan 8.150 nan 0.000 0.501 17 Q N 0.264 120.082 119.800 0.030 0.000 2.280 17 Q HA 0.453 4.796 4.340 0.006 0.000 0.228 17 Q C 0.204 176.177 176.000 -0.045 0.000 0.857 17 Q CA 0.678 56.489 55.803 0.014 0.000 0.939 17 Q CB 0.652 29.426 28.738 0.060 0.000 1.114 17 Q HN 0.973 nan 8.270 nan 0.000 0.514 18 A N 0.937 123.703 122.820 -0.090 0.000 2.566 18 A HA 0.660 4.984 4.320 0.006 0.000 0.290 18 A C -1.938 175.451 177.584 -0.325 0.000 1.071 18 A CA -0.756 51.109 52.037 -0.287 0.000 0.658 18 A CB 1.076 19.842 19.000 -0.389 0.000 1.285 18 A HN 0.151 nan 8.150 nan 0.000 0.427 19 M N 1.096 120.399 119.600 -0.496 0.000 2.142 19 M HA 0.756 5.240 4.480 0.006 0.000 0.299 19 M C -2.155 173.880 176.300 -0.441 0.000 0.960 19 M CA -0.297 54.802 55.300 -0.336 0.000 0.920 19 M CB 0.618 33.060 32.600 -0.262 0.000 1.541 19 M HN 0.513 nan 8.290 nan 0.000 0.429 20 F N 2.923 122.892 119.950 0.032 0.000 2.399 20 F HA 0.938 5.470 4.527 0.007 0.000 0.334 20 F C 0.865 176.730 175.800 0.109 0.000 1.097 20 F CA -0.072 57.984 58.000 0.094 0.000 1.076 20 F CB 2.056 41.115 39.000 0.098 0.000 1.162 20 F HN 0.748 nan 8.300 nan 0.000 0.495 21 G N 1.817 110.829 108.800 0.353 0.000 2.466 21 G HA2 0.580 4.543 3.960 0.006 0.000 0.291 21 G HA3 0.580 4.543 3.960 0.006 0.000 0.291 21 G C -2.138 173.034 174.900 0.454 0.000 1.460 21 G CA -0.782 44.571 45.100 0.421 0.000 0.791 21 G HN 0.528 nan 8.290 nan 0.000 0.505 22 I N 2.230 123.035 120.570 0.391 0.000 2.478 22 I HA 0.382 4.555 4.170 0.006 0.000 0.287 22 I C -2.141 173.888 176.117 -0.146 0.000 1.042 22 I CA -2.037 59.343 61.300 0.135 0.000 1.067 22 I CB 3.187 41.258 38.000 0.119 0.000 1.233 22 I HN 0.301 nan 8.210 nan 0.000 0.431 23 P HA 0.476 nan 4.420 nan 0.000 0.279 23 P C -0.414 176.685 177.300 -0.336 0.000 1.282 23 P CA -0.139 62.378 63.100 -0.971 0.000 0.788 23 P CB 1.618 32.591 31.700 -1.212 0.000 1.139 24 G N -0.833 107.829 108.800 -0.230 0.000 2.559 24 G HA2 0.330 4.294 3.960 0.006 0.000 0.291 24 G HA3 0.330 4.294 3.960 0.006 0.000 0.291 24 G C 0.115 174.980 174.900 -0.058 0.000 1.424 24 G CA -0.335 44.725 45.100 -0.067 0.000 0.786 24 G HN 0.419 nan 8.290 nan 0.000 0.485 25 D N -0.161 120.188 120.400 -0.085 0.000 2.116 25 D HA -0.186 4.457 4.640 0.006 0.000 0.193 25 D C 1.772 177.954 176.300 -0.196 0.000 0.998 25 D CA 1.621 55.504 54.000 -0.196 0.000 0.836 25 D CB -0.424 40.173 40.800 -0.338 0.000 0.951 25 D HN 0.310 nan 8.370 nan 0.000 0.449 26 F N 0.831 120.806 119.950 0.041 0.000 2.293 26 F HA 0.142 4.672 4.527 0.005 0.000 0.300 26 F C 2.623 178.463 175.800 0.068 0.000 1.086 26 F CA 0.974 58.999 58.000 0.042 0.000 1.375 26 F CB -0.084 38.945 39.000 0.048 0.000 1.045 26 F HN 0.101 nan 8.300 nan 0.000 0.516 27 A N -0.608 122.350 122.820 0.231 0.000 2.308 27 A HA 0.200 4.523 4.320 0.006 0.000 0.217 27 A C 1.947 179.700 177.584 0.282 0.000 1.216 27 A CA -0.048 52.158 52.037 0.281 0.000 0.864 27 A CB -0.593 18.591 19.000 0.306 0.000 0.902 27 A HN 0.345 nan 8.150 nan 0.000 0.499 28 L N -0.063 121.226 121.223 0.109 0.000 2.012 28 L HA -0.150 4.194 4.340 0.006 0.000 0.210 28 L C -0.473 176.498 176.870 0.168 0.000 1.073 28 L CA 1.761 56.648 54.840 0.079 0.000 0.748 28 L CB -1.303 40.755 42.059 -0.002 0.000 0.891 28 L HN 0.223 nan 8.230 nan 0.000 0.431 29 P HA -0.229 nan 4.420 nan 0.000 0.216 29 P C 1.501 178.911 177.300 0.184 0.000 1.150 29 P CA 1.429 64.612 63.100 0.139 0.000 0.837 29 P CB -0.057 31.716 31.700 0.121 0.000 0.786 30 F N -1.064 118.970 119.950 0.140 0.000 2.146 30 F HA -0.115 4.415 4.527 0.005 0.000 0.298 30 F C 1.892 177.753 175.800 0.102 0.000 1.096 30 F CA 1.315 59.377 58.000 0.103 0.000 1.275 30 F CB -0.765 38.298 39.000 0.105 0.000 1.008 30 F HN -0.230 nan 8.300 nan 0.000 0.480 31 F N 1.022 120.964 119.950 -0.014 0.000 2.234 31 F HA -0.098 4.430 4.527 0.002 0.000 0.299 31 F C 2.480 178.190 175.800 -0.150 0.000 1.087 31 F CA 1.610 59.544 58.000 -0.110 0.000 1.340 31 F CB -0.821 38.189 39.000 0.018 0.000 1.031 31 F HN -0.049 nan 8.300 nan 0.000 0.500 32 K N 0.408 120.857 120.400 0.081 0.000 2.026 32 K HA -0.145 4.178 4.320 0.006 0.000 0.208 32 K C 2.003 178.554 176.600 -0.082 0.000 1.048 32 K CA 1.653 57.945 56.287 0.009 0.000 0.929 32 K CB -0.328 32.185 32.500 0.022 0.000 0.713 32 K HN 0.091 nan 8.250 nan 0.000 0.439 33 V N 1.414 121.241 119.914 -0.145 0.000 2.343 33 V HA -0.257 3.867 4.120 0.006 0.000 0.247 33 V C 2.494 178.424 176.094 -0.274 0.000 1.051 33 V CA 1.990 64.174 62.300 -0.195 0.000 1.036 33 V CB -0.826 30.869 31.823 -0.214 0.000 0.654 33 V HN 0.529 nan 8.190 nan 0.000 0.451 34 A N -0.395 122.161 122.820 -0.440 0.000 1.877 34 A HA -0.291 4.032 4.320 0.006 0.000 0.216 34 A C 2.311 179.741 177.584 -0.256 0.000 1.186 34 A CA 2.130 53.909 52.037 -0.431 0.000 0.620 34 A CB -0.527 18.100 19.000 -0.622 0.000 0.822 34 A HN 0.626 nan 8.150 nan 0.000 0.443 35 E N -0.305 119.785 120.200 -0.183 0.000 2.047 35 E HA -0.204 4.149 4.350 0.006 0.000 0.191 35 E C 1.972 178.517 176.600 -0.091 0.000 0.987 35 E CA 1.298 57.634 56.400 -0.107 0.000 0.799 35 E CB -0.125 29.551 29.700 -0.040 0.000 0.752 35 E HN 0.743 nan 8.360 nan 0.000 0.449 36 E N -0.376 119.773 120.200 -0.086 0.000 2.072 36 E HA -0.151 4.203 4.350 0.006 0.000 0.191 36 E C 2.259 178.815 176.600 -0.073 0.000 0.985 36 E CA 1.722 58.083 56.400 -0.066 0.000 0.801 36 E CB -0.103 29.564 29.700 -0.054 0.000 0.750 36 E HN 0.426 nan 8.360 nan 0.000 0.452 37 T N -1.591 112.905 114.554 -0.096 0.000 2.951 37 T HA -0.147 4.207 4.350 0.006 0.000 0.268 37 T C 0.960 175.606 174.700 -0.091 0.000 1.073 37 T CA 0.785 62.831 62.100 -0.089 0.000 1.134 37 T CB -0.115 68.692 68.868 -0.102 0.000 0.884 37 T HN 0.178 nan 8.240 nan 0.000 0.479 38 Q N -0.130 119.603 119.800 -0.111 0.000 2.480 38 Q HA -0.190 4.153 4.340 0.006 0.000 0.265 38 Q C 1.012 176.947 176.000 -0.108 0.000 1.072 38 Q CA 0.785 56.522 55.803 -0.110 0.000 1.018 38 Q CB -2.325 26.364 28.738 -0.080 0.000 1.433 38 Q HN 0.615 nan 8.270 nan 0.000 0.513 39 I N -0.170 120.330 120.570 -0.116 0.000 2.226 39 I HA -0.165 4.009 4.170 0.006 0.000 0.245 39 I C 1.055 177.108 176.117 -0.108 0.000 1.100 39 I CA 1.349 62.590 61.300 -0.098 0.000 1.374 39 I CB 0.087 38.032 38.000 -0.093 0.000 1.057 39 I HN 0.170 nan 8.210 nan 0.000 0.413 40 L N 0.249 121.383 121.223 -0.148 0.000 2.386 40 L HA 0.419 4.763 4.340 0.006 0.000 0.271 40 L C -2.461 174.262 176.870 -0.246 0.000 0.993 40 L CA -2.049 52.687 54.840 -0.174 0.000 0.819 40 L CB 1.666 43.620 42.059 -0.175 0.000 1.294 40 L HN -0.266 nan 8.230 nan 0.000 0.414 41 P HA 0.020 nan 4.420 nan 0.000 0.265 41 P C -0.964 175.952 177.300 -0.639 0.000 1.193 41 P CA -0.163 62.687 63.100 -0.417 0.000 0.765 41 P CB 0.503 31.957 31.700 -0.410 0.000 0.823 42 L N 5.635 126.533 121.223 -0.541 0.000 2.276 42 L HA 0.349 4.693 4.340 0.006 0.000 0.286 42 L C -0.825 175.807 176.870 -0.397 0.000 1.024 42 L CA -0.152 54.417 54.840 -0.451 0.000 0.826 42 L CB -0.079 41.832 42.059 -0.246 0.000 1.211 42 L HN 0.373 nan 8.230 nan 0.000 0.422 43 H N 3.065 122.019 119.070 -0.193 0.000 2.511 43 H HA 0.496 5.056 4.556 0.007 0.000 0.328 43 H C -0.136 175.244 175.328 0.088 0.000 1.044 43 H CA -0.436 55.568 56.048 -0.072 0.000 1.212 43 H CB 1.357 31.029 29.762 -0.150 0.000 1.428 43 H HN 0.671 nan 8.280 nan 0.000 0.483 44 T N 1.482 116.186 114.554 0.251 0.000 2.928 44 T HA 0.731 5.084 4.350 0.006 0.000 0.284 44 T C 0.379 175.217 174.700 0.229 0.000 1.008 44 T CA -0.783 61.465 62.100 0.248 0.000 1.057 44 T CB 1.350 70.338 68.868 0.199 0.000 1.018 44 T HN 0.327 nan 8.240 nan 0.000 0.493 45 L N 0.483 121.834 121.223 0.213 0.000 2.183 45 L HA 0.471 4.814 4.340 0.006 0.000 0.253 45 L C 1.325 178.286 176.870 0.151 0.000 1.048 45 L CA -1.147 53.795 54.840 0.170 0.000 0.890 45 L CB 1.840 43.997 42.059 0.164 0.000 1.476 45 L HN 0.736 nan 8.230 nan 0.000 0.455 46 S N -2.447 113.340 115.700 0.144 0.000 2.388 46 S HA 0.037 4.510 4.470 0.006 0.000 0.223 46 S C 0.187 174.906 174.600 0.198 0.000 1.034 46 S CA 0.599 58.884 58.200 0.142 0.000 0.963 46 S CB 0.024 63.301 63.200 0.127 0.000 0.827 46 S HN 0.477 nan 8.310 nan 0.000 0.481 47 H N -0.263 118.858 119.070 0.085 0.000 2.717 47 H HA 0.249 4.808 4.556 0.005 0.000 0.366 47 H C -0.003 175.365 175.328 0.066 0.000 1.132 47 H CA -0.562 55.533 56.048 0.080 0.000 1.180 47 H CB 1.517 31.334 29.762 0.093 0.000 1.678 47 H HN -0.057 nan 8.280 nan 0.000 0.537 48 E N 2.837 123.046 120.200 0.015 0.000 2.171 48 E HA -0.140 4.213 4.350 0.006 0.000 0.197 48 E C -1.302 175.199 176.600 -0.166 0.000 0.997 48 E CA 1.462 57.831 56.400 -0.052 0.000 0.810 48 E CB -0.739 28.941 29.700 -0.033 0.000 0.738 48 E HN 0.554 nan 8.360 nan 0.000 0.467 49 P HA -0.208 nan 4.420 nan 0.000 0.215 49 P C 1.016 178.100 177.300 -0.360 0.000 1.153 49 P CA 2.061 64.919 63.100 -0.403 0.000 0.853 49 P CB -0.027 31.538 31.700 -0.224 0.000 0.788 50 A N -0.831 121.970 122.820 -0.032 0.000 1.972 50 A HA -0.148 4.175 4.320 0.006 0.000 0.219 50 A C 2.307 179.872 177.584 -0.031 0.000 1.169 50 A CA 1.583 53.660 52.037 0.067 0.000 0.635 50 A CB -1.686 17.363 19.000 0.080 0.000 0.810 50 A HN 0.023 nan 8.150 nan 0.000 0.446 51 V N -0.160 119.742 119.914 -0.019 0.000 2.295 51 V HA -0.198 3.925 4.120 0.006 0.000 0.246 51 V C 2.805 178.869 176.094 -0.050 0.000 1.049 51 V CA 2.070 64.388 62.300 0.031 0.000 1.024 51 V CB -1.365 30.524 31.823 0.110 0.000 0.648 51 V HN 0.604 nan 8.190 nan 0.000 0.447 52 G N -0.817 107.901 108.800 -0.135 0.000 2.402 52 G HA2 -0.204 3.759 3.960 0.006 0.000 0.216 52 G HA3 -0.204 3.759 3.960 0.006 0.000 0.216 52 G C 1.406 176.229 174.900 -0.127 0.000 1.162 52 G CA 0.716 45.721 45.100 -0.158 0.000 0.777 52 G HN 0.433 nan 8.290 nan 0.000 0.539 53 F N 1.822 121.722 119.950 -0.084 0.000 2.146 53 F HA 0.119 4.649 4.527 0.006 0.000 0.298 53 F C 2.994 178.584 175.800 -0.351 0.000 1.096 53 F CA 0.413 58.313 58.000 -0.166 0.000 1.275 53 F CB -0.814 38.047 39.000 -0.233 0.000 1.008 53 F HN 0.248 nan 8.300 nan 0.000 0.480 54 A N -0.011 122.653 122.820 -0.260 0.000 1.898 54 A HA -0.003 4.320 4.320 0.006 0.000 0.216 54 A C 2.443 179.553 177.584 -0.791 0.000 1.181 54 A CA 1.703 53.343 52.037 -0.662 0.000 0.620 54 A CB -1.243 17.172 19.000 -0.973 0.000 0.819 54 A HN 0.284 nan 8.150 nan 0.000 0.442 55 A N -0.127 122.395 122.820 -0.496 0.000 1.930 55 A HA -0.170 4.153 4.320 0.006 0.000 0.217 55 A C 1.909 179.494 177.584 0.002 0.000 1.175 55 A CA 2.015 53.997 52.037 -0.092 0.000 0.627 55 A CB -0.546 18.526 19.000 0.120 0.000 0.815 55 A HN 0.518 nan 8.150 nan 0.000 0.443 56 D N 0.240 120.647 120.400 0.011 0.000 2.084 56 D HA -0.078 4.565 4.640 0.006 0.000 0.194 56 D C 2.108 178.465 176.300 0.095 0.000 0.990 56 D CA 1.791 55.854 54.000 0.105 0.000 0.826 56 D CB -0.357 40.582 40.800 0.231 0.000 0.971 56 D HN 0.296 nan 8.370 nan 0.000 0.453 57 A N 0.739 123.560 122.820 0.001 0.000 1.908 57 A HA -0.031 4.293 4.320 0.006 0.000 0.218 57 A C 2.426 180.042 177.584 0.053 0.000 1.181 57 A CA 2.644 54.675 52.037 -0.010 0.000 0.627 57 A CB -1.003 17.865 19.000 -0.220 0.000 0.818 57 A HN 0.346 nan 8.150 nan 0.000 0.445 58 A N -0.320 122.514 122.820 0.024 0.000 1.930 58 A HA 0.199 4.523 4.320 0.006 0.000 0.217 58 A C 2.481 180.170 177.584 0.175 0.000 1.175 58 A CA 1.953 54.078 52.037 0.147 0.000 0.627 58 A CB -0.918 18.259 19.000 0.295 0.000 0.815 58 A HN 1.031 nan 8.150 nan 0.000 0.443 59 A N 0.014 122.913 122.820 0.132 0.000 1.902 59 A HA -0.153 4.170 4.320 0.006 0.000 0.217 59 A C 2.253 179.888 177.584 0.084 0.000 1.181 59 A CA 1.478 53.576 52.037 0.102 0.000 0.623 59 A CB -0.444 18.602 19.000 0.077 0.000 0.818 59 A HN 0.551 nan 8.150 nan 0.000 0.443 60 R N -2.325 118.231 120.500 0.093 0.000 2.092 60 R HA -0.114 4.229 4.340 0.006 0.000 0.231 60 R C 2.142 178.479 176.300 0.062 0.000 1.119 60 R CA 1.490 57.627 56.100 0.062 0.000 0.970 60 R CB -0.535 29.817 30.300 0.087 0.000 0.864 60 R HN 0.667 nan 8.270 nan 0.000 0.440 61 Y N 1.145 121.452 120.300 0.011 0.000 2.128 61 Y HA -0.201 4.353 4.550 0.006 0.000 0.284 61 Y C 1.673 177.576 175.900 0.005 0.000 1.154 61 Y CA 1.734 59.838 58.100 0.006 0.000 1.149 61 Y CB 0.204 38.673 38.460 0.016 0.000 0.976 61 Y HN -0.111 nan 8.280 nan 0.000 0.505 62 S N -0.853 114.923 115.700 0.126 0.000 2.568 62 S HA 0.122 4.595 4.470 0.006 0.000 0.232 62 S C 0.330 174.935 174.600 0.008 0.000 0.975 62 S CA 0.458 58.690 58.200 0.053 0.000 0.949 62 S CB 0.093 63.383 63.200 0.151 0.000 0.829 62 S HN 0.347 nan 8.310 nan 0.000 0.479 63 S N 1.778 117.472 115.700 -0.009 0.000 3.550 63 S HA -0.140 4.334 4.470 0.006 0.000 0.372 63 S C 0.095 174.693 174.600 -0.003 0.000 0.966 63 S CA 1.060 59.243 58.200 -0.028 0.000 1.229 63 S CB -1.416 61.752 63.200 -0.052 0.000 0.917 63 S HN 0.713 nan 8.310 nan 0.000 0.496 64 T N -0.540 114.027 114.554 0.022 0.000 2.618 64 T HA 0.689 5.043 4.350 0.006 0.000 0.286 64 T C -0.642 174.080 174.700 0.037 0.000 1.027 64 T CA -0.878 61.240 62.100 0.030 0.000 1.063 64 T CB 0.682 69.578 68.868 0.046 0.000 1.440 64 T HN 0.237 nan 8.240 nan 0.000 0.505 65 L N 1.507 122.755 121.223 0.042 0.000 2.371 65 L HA 0.588 4.932 4.340 0.006 0.000 0.272 65 L C 1.065 177.981 176.870 0.076 0.000 1.124 65 L CA -0.578 54.291 54.840 0.048 0.000 0.816 65 L CB 0.694 42.776 42.059 0.039 0.000 1.129 65 L HN 0.773 nan 8.230 nan 0.000 0.448 66 G N 1.786 110.639 108.800 0.088 0.000 2.417 66 G HA2 0.605 4.568 3.960 0.006 0.000 0.334 66 G HA3 0.605 4.568 3.960 0.006 0.000 0.334 66 G C -1.126 173.852 174.900 0.129 0.000 1.150 66 G CA -0.358 44.823 45.100 0.135 0.000 0.923 66 G HN 0.328 nan 8.290 nan 0.000 0.485 67 V N 0.406 120.428 119.914 0.180 0.000 2.525 67 V HA 0.704 4.827 4.120 0.006 0.000 0.299 67 V C 0.001 176.209 176.094 0.190 0.000 1.034 67 V CA -0.838 61.541 62.300 0.132 0.000 0.863 67 V CB 1.345 33.209 31.823 0.068 0.000 0.999 67 V HN 1.141 nan 8.190 nan 0.000 0.423 68 A N 3.833 126.733 122.820 0.135 0.000 2.310 68 A HA 0.907 5.231 4.320 0.006 0.000 0.304 68 A C -0.025 177.619 177.584 0.100 0.000 1.231 68 A CA -0.288 51.838 52.037 0.149 0.000 0.799 68 A CB 1.129 20.199 19.000 0.116 0.000 1.162 68 A HN 1.314 nan 8.150 nan 0.000 0.486 69 A N 2.447 125.350 122.820 0.139 0.000 2.276 69 A HA 0.757 5.080 4.320 0.006 0.000 0.316 69 A C 0.127 177.904 177.584 0.323 0.000 1.229 69 A CA -0.087 52.045 52.037 0.159 0.000 0.851 69 A CB 0.479 19.507 19.000 0.047 0.000 1.165 69 A HN 2.077 nan 8.150 nan 0.000 0.513 70 V N -0.384 119.671 119.914 0.235 0.000 3.167 70 V HA 0.869 4.993 4.120 0.006 0.000 0.310 70 V C -0.034 176.172 176.094 0.186 0.000 1.207 70 V CA -0.481 61.945 62.300 0.209 0.000 1.059 70 V CB 1.237 33.120 31.823 0.100 0.000 1.079 70 V HN 0.833 nan 8.190 nan 0.000 0.446 71 T N -0.317 114.321 114.554 0.140 0.000 2.944 71 T HA 0.540 4.893 4.350 0.006 0.000 0.284 71 T C -0.925 173.875 174.700 0.166 0.000 1.010 71 T CA -0.213 61.991 62.100 0.172 0.000 1.025 71 T CB 0.884 69.844 68.868 0.152 0.000 1.079 71 T HN 0.756 nan 8.240 nan 0.000 0.516 72 Y N 2.086 122.433 120.300 0.078 0.000 2.578 72 Y HA 0.385 4.939 4.550 0.008 0.000 0.339 72 Y C 1.154 177.067 175.900 0.020 0.000 1.231 72 Y CA 1.705 59.784 58.100 -0.035 0.000 1.461 72 Y CB -0.179 38.152 38.460 -0.214 0.000 1.323 72 Y HN 1.089 nan 8.280 nan 0.000 0.590 73 G N 2.863 111.315 108.800 -0.579 0.000 2.527 73 G HA2 -0.274 3.690 3.960 0.006 0.000 0.262 73 G HA3 -0.274 3.690 3.960 0.006 0.000 0.262 73 G C 1.036 175.970 174.900 0.057 0.000 1.153 73 G CA 0.457 45.432 45.100 -0.208 0.000 0.954 73 G HN 1.428 nan 8.290 nan 0.000 0.552 74 A N -0.169 122.772 122.820 0.202 0.000 1.927 74 A HA 0.119 4.442 4.320 0.006 0.000 0.220 74 A C 3.093 180.775 177.584 0.163 0.000 1.185 74 A CA 3.584 55.757 52.037 0.226 0.000 0.639 74 A CB -1.374 17.727 19.000 0.169 0.000 0.820 74 A HN 2.357 nan 8.150 nan 0.000 0.451 75 G N -0.733 108.133 108.800 0.111 0.000 2.459 75 G HA2 -0.054 3.909 3.960 0.006 0.000 0.217 75 G HA3 -0.054 3.909 3.960 0.006 0.000 0.217 75 G C 1.787 176.726 174.900 0.065 0.000 1.183 75 G CA 1.762 46.917 45.100 0.092 0.000 0.776 75 G HN 0.907 nan 8.290 nan 0.000 0.552 76 A N 0.224 123.035 122.820 -0.015 0.000 1.898 76 A HA 0.188 4.511 4.320 0.006 0.000 0.216 76 A C 2.167 179.823 177.584 0.119 0.000 1.181 76 A CA 1.367 53.388 52.037 -0.026 0.000 0.620 76 A CB -0.522 18.318 19.000 -0.267 0.000 0.819 76 A HN 0.262 nan 8.150 nan 0.000 0.442 77 F N 0.414 120.437 119.950 0.121 0.000 2.216 77 F HA -0.117 4.414 4.527 0.007 0.000 0.300 77 F C 2.041 177.841 175.800 0.001 0.000 1.085 77 F CA 1.360 59.387 58.000 0.044 0.000 1.326 77 F CB -0.634 38.360 39.000 -0.010 0.000 1.027 77 F HN 0.246 nan 8.300 nan 0.000 0.497 78 N N -0.274 118.533 118.700 0.179 0.000 2.571 78 N HA -0.099 4.644 4.740 0.006 0.000 0.189 78 N C 1.362 176.853 175.510 -0.031 0.000 1.154 78 N CA 0.577 53.658 53.050 0.051 0.000 0.907 78 N CB -0.220 38.284 38.487 0.028 0.000 0.977 78 N HN 0.290 nan 8.380 nan 0.000 0.449 79 M N -1.006 118.612 119.600 0.030 0.000 2.313 79 M HA 0.145 4.629 4.480 0.006 0.000 0.273 79 M C 0.805 177.089 176.300 -0.028 0.000 1.049 79 M CA -0.028 55.260 55.300 -0.020 0.000 1.004 79 M CB 0.534 33.166 32.600 0.054 0.000 1.461 79 M HN -0.152 nan 8.290 nan 0.000 0.514 80 V N 1.358 121.236 119.914 -0.060 0.000 2.287 80 V HA -0.316 3.807 4.120 0.006 0.000 0.248 80 V C 2.008 178.015 176.094 -0.146 0.000 1.053 80 V CA 2.405 64.572 62.300 -0.221 0.000 1.027 80 V CB -0.843 30.843 31.823 -0.228 0.000 0.646 80 V HN 0.642 nan 8.190 nan 0.000 0.447 81 N N 0.571 119.226 118.700 -0.075 0.000 2.084 81 N HA -0.145 4.599 4.740 0.006 0.000 0.190 81 N C 1.722 177.228 175.510 -0.007 0.000 1.030 81 N CA 1.870 54.933 53.050 0.022 0.000 0.849 81 N CB -0.381 38.157 38.487 0.085 0.000 1.012 81 N HN 0.402 nan 8.380 nan 0.000 0.423 82 A N -0.083 122.617 122.820 -0.200 0.000 1.933 82 A HA -0.054 4.270 4.320 0.006 0.000 0.218 82 A C 2.413 179.930 177.584 -0.112 0.000 1.175 82 A CA 1.615 53.454 52.037 -0.331 0.000 0.628 82 A CB -0.832 17.678 19.000 -0.816 0.000 0.814 82 A HN 0.202 nan 8.150 nan 0.000 0.444 83 V N -0.298 119.565 119.914 -0.085 0.000 2.453 83 V HA -0.187 3.936 4.120 0.006 0.000 0.247 83 V C 3.019 179.082 176.094 -0.052 0.000 1.048 83 V CA 1.702 63.996 62.300 -0.011 0.000 1.049 83 V CB -1.097 30.768 31.823 0.071 0.000 0.672 83 V HN 0.605 nan 8.190 nan 0.000 0.457 84 A N 0.617 123.359 122.820 -0.131 0.000 1.933 84 A HA -0.097 4.226 4.320 0.006 0.000 0.218 84 A C 2.401 179.715 177.584 -0.450 0.000 1.175 84 A CA 1.919 53.841 52.037 -0.191 0.000 0.628 84 A CB -1.120 17.811 19.000 -0.114 0.000 0.814 84 A HN 0.523 nan 8.150 nan 0.000 0.444 85 G N -0.613 107.780 108.800 -0.679 0.000 2.408 85 G HA2 0.035 3.999 3.960 0.006 0.000 0.217 85 G HA3 0.035 3.999 3.960 0.006 0.000 0.217 85 G C 1.714 176.418 174.900 -0.327 0.000 1.150 85 G CA 1.326 45.821 45.100 -1.009 0.000 0.776 85 G HN 0.773 nan 8.290 nan 0.000 0.542 86 A N -0.112 122.652 122.820 -0.094 0.000 1.898 86 A HA -0.003 4.321 4.320 0.006 0.000 0.216 86 A C 2.165 179.759 177.584 0.017 0.000 1.181 86 A CA 1.582 53.626 52.037 0.011 0.000 0.620 86 A CB -0.657 18.380 19.000 0.061 0.000 0.819 86 A HN 0.469 nan 8.150 nan 0.000 0.442 87 Y N 0.534 120.781 120.300 -0.089 0.000 2.114 87 Y HA -0.130 4.423 4.550 0.005 0.000 0.284 87 Y C 2.692 178.580 175.900 -0.020 0.000 1.143 87 Y CA 1.595 59.670 58.100 -0.043 0.000 1.135 87 Y CB -0.381 38.050 38.460 -0.048 0.000 0.980 87 Y HN 0.322 nan 8.280 nan 0.000 0.499 88 A N 0.150 123.082 122.820 0.186 0.000 1.948 88 A HA -0.225 4.099 4.320 0.006 0.000 0.220 88 A C 1.662 179.344 177.584 0.163 0.000 1.177 88 A CA 2.080 54.225 52.037 0.179 0.000 0.636 88 A CB -0.569 18.476 19.000 0.074 0.000 0.815 88 A HN 0.672 nan 8.150 nan 0.000 0.449 89 E N -0.465 119.782 120.200 0.079 0.000 2.496 89 E HA 0.126 4.479 4.350 0.006 0.000 0.202 89 E C -0.685 175.943 176.600 0.046 0.000 1.021 89 E CA -0.469 55.992 56.400 0.101 0.000 1.015 89 E CB 0.276 29.991 29.700 0.025 0.000 1.102 89 E HN 0.262 nan 8.360 nan 0.000 0.452 90 K N 0.666 121.068 120.400 0.003 0.000 3.257 90 K HA -0.164 4.159 4.320 0.006 0.000 0.270 90 K C -0.540 176.007 176.600 -0.089 0.000 0.984 90 K CA 0.445 56.688 56.287 -0.073 0.000 0.739 90 K CB -1.885 30.600 32.500 -0.024 0.000 1.351 90 K HN 0.171 nan 8.250 nan 0.000 0.463 91 S N 1.312 116.977 115.700 -0.057 0.000 2.498 91 S HA 0.412 4.886 4.470 0.006 0.000 0.317 91 S C -2.371 172.219 174.600 -0.017 0.000 1.090 91 S CA -1.484 56.700 58.200 -0.028 0.000 1.089 91 S CB 1.325 64.541 63.200 0.027 0.000 0.997 91 S HN 0.044 nan 8.310 nan 0.000 0.470 92 P HA 0.126 nan 4.420 nan 0.000 0.249 92 P C -0.607 176.716 177.300 0.038 0.000 1.737 92 P CA -0.150 62.951 63.100 0.002 0.000 1.128 92 P CB 0.020 31.713 31.700 -0.011 0.000 1.942 93 V N 4.534 124.482 119.914 0.057 0.000 2.432 93 V HA 0.077 4.201 4.120 0.006 0.000 0.271 93 V C 0.799 176.939 176.094 0.078 0.000 1.046 93 V CA -0.480 61.865 62.300 0.076 0.000 0.945 93 V CB 1.734 33.608 31.823 0.085 0.000 0.992 93 V HN 0.166 nan 8.190 nan 0.000 0.471 94 V N 6.772 126.726 119.914 0.066 0.000 2.389 94 V HA 0.197 4.320 4.120 0.006 0.000 0.264 94 V C 0.194 176.305 176.094 0.029 0.000 1.049 94 V CA -0.346 61.980 62.300 0.042 0.000 0.932 94 V CB 1.317 33.154 31.823 0.024 0.000 1.011 94 V HN 0.610 nan 8.190 nan 0.000 0.475 95 V N 7.447 127.376 119.914 0.026 0.000 2.408 95 V HA 0.380 4.503 4.120 0.006 0.000 0.267 95 V C 0.110 176.103 176.094 -0.167 0.000 1.047 95 V CA -0.114 62.180 62.300 -0.011 0.000 0.937 95 V CB 1.061 32.927 31.823 0.071 0.000 0.999 95 V HN 0.650 nan 8.190 nan 0.000 0.472 96 I N 4.453 124.910 120.570 -0.188 0.000 2.382 96 I HA 0.391 4.565 4.170 0.006 0.000 0.285 96 I C 0.129 176.063 176.117 -0.305 0.000 1.007 96 I CA 0.051 61.145 61.300 -0.343 0.000 1.142 96 I CB 1.679 39.434 38.000 -0.409 0.000 1.289 96 I HN 0.589 nan 8.210 nan 0.000 0.453 97 S N 4.268 119.749 115.700 -0.366 0.000 2.472 97 S HA 0.726 5.200 4.470 0.006 0.000 0.303 97 S C 0.144 174.660 174.600 -0.139 0.000 1.099 97 S CA -0.517 57.574 58.200 -0.182 0.000 1.077 97 S CB 1.447 64.575 63.200 -0.121 0.000 1.031 97 S HN 0.729 nan 8.310 nan 0.000 0.487 98 G N 1.974 110.782 108.800 0.013 0.000 2.572 98 G HA2 0.654 4.618 3.960 0.006 0.000 0.261 98 G HA3 0.654 4.618 3.960 0.006 0.000 0.261 98 G C -0.294 174.638 174.900 0.054 0.000 1.197 98 G CA 0.014 45.150 45.100 0.060 0.000 0.870 98 G HN 1.217 nan 8.290 nan 0.000 0.548 99 A N 0.801 123.578 122.820 -0.073 0.000 2.599 99 A HA 0.837 5.160 4.320 0.006 0.000 0.290 99 A C -3.036 174.255 177.584 -0.489 0.000 1.101 99 A CA -1.207 50.523 52.037 -0.512 0.000 0.674 99 A CB 1.143 19.886 19.000 -0.428 0.000 1.277 99 A HN 0.502 nan 8.150 nan 0.000 0.419 100 P HA 0.298 nan 4.420 nan 0.000 0.268 100 P C 0.564 177.785 177.300 -0.132 0.000 1.208 100 P CA 0.590 63.457 63.100 -0.388 0.000 0.777 100 P CB 0.551 31.946 31.700 -0.508 0.000 0.875 101 G N 0.512 109.326 108.800 0.023 0.000 2.664 101 G HA2 0.138 4.101 3.960 0.006 0.000 0.242 101 G HA3 0.138 4.101 3.960 0.006 0.000 0.242 101 G C 1.202 176.082 174.900 -0.033 0.000 1.225 101 G CA 0.047 45.149 45.100 0.003 0.000 0.849 101 G HN 0.556 nan 8.290 nan 0.000 0.581 102 T N -2.608 111.927 114.554 -0.031 0.000 2.977 102 T HA -0.178 4.175 4.350 0.006 0.000 0.271 102 T C 2.094 176.779 174.700 -0.025 0.000 1.105 102 T CA 1.982 64.060 62.100 -0.037 0.000 1.116 102 T CB -0.377 68.472 68.868 -0.031 0.000 0.878 102 T HN 0.711 nan 8.240 nan 0.000 0.509 103 T N -0.550 113.997 114.554 -0.012 0.000 3.037 103 T HA 0.188 4.542 4.350 0.006 0.000 0.251 103 T C 1.382 176.084 174.700 0.002 0.000 1.079 103 T CA -0.102 61.995 62.100 -0.004 0.000 1.067 103 T CB -0.251 68.618 68.868 0.001 0.000 0.948 103 T HN 0.512 nan 8.240 nan 0.000 0.496 104 E N 1.771 121.976 120.200 0.007 0.000 2.461 104 E HA 0.289 4.643 4.350 0.006 0.000 0.196 104 E C 1.719 178.324 176.600 0.009 0.000 1.129 104 E CA -0.013 56.401 56.400 0.024 0.000 0.902 104 E CB -0.658 29.077 29.700 0.059 0.000 0.963 104 E HN 0.688 nan 8.360 nan 0.000 0.503 105 G N 1.281 110.077 108.800 -0.006 0.000 2.665 105 G HA2 -0.469 3.495 3.960 0.006 0.000 0.326 105 G HA3 -0.469 3.495 3.960 0.006 0.000 0.326 105 G C 0.249 175.138 174.900 -0.019 0.000 1.231 105 G CA 0.557 45.652 45.100 -0.008 0.000 0.992 105 G HN 0.662 nan 8.290 nan 0.000 0.549 106 N N -1.162 117.538 118.700 0.000 0.000 2.831 106 N HA 0.965 5.708 4.740 0.006 0.000 0.276 106 N C -0.218 175.312 175.510 0.033 0.000 1.416 106 N CA 0.494 53.547 53.050 0.005 0.000 0.799 106 N CB 1.652 40.150 38.487 0.018 0.000 1.554 106 N HN 2.337 nan 8.380 nan 0.000 0.541 107 A N 0.042 122.897 122.820 0.058 0.000 3.007 107 A HA 0.649 4.972 4.320 0.006 0.000 0.314 107 A C 0.648 178.295 177.584 0.105 0.000 1.153 107 A CA 0.152 52.246 52.037 0.095 0.000 0.780 107 A CB -0.242 18.835 19.000 0.129 0.000 1.258 107 A HN 1.643 nan 8.150 nan 0.000 0.460 108 G N 0.900 109.747 108.800 0.078 0.000 3.392 108 G HA2 0.299 4.263 3.960 0.006 0.000 0.247 108 G HA3 0.299 4.263 3.960 0.006 0.000 0.247 108 G C 0.794 175.734 174.900 0.067 0.000 1.161 108 G CA 0.074 45.216 45.100 0.071 0.000 1.739 108 G HN 0.659 nan 8.290 nan 0.000 0.619 109 L N -0.865 120.407 121.223 0.082 0.000 2.093 109 L HA 0.079 4.422 4.340 0.006 0.000 0.208 109 L C 2.269 179.167 176.870 0.046 0.000 1.085 109 L CA 0.924 55.803 54.840 0.065 0.000 0.755 109 L CB 0.009 42.115 42.059 0.079 0.000 0.904 109 L HN 0.357 nan 8.230 nan 0.000 0.435 110 L N -1.075 120.182 121.223 0.058 0.000 2.693 110 L HA 0.176 4.519 4.340 0.006 0.000 0.235 110 L C 0.801 177.695 176.870 0.040 0.000 1.127 110 L CA -0.370 54.490 54.840 0.034 0.000 0.914 110 L CB 0.266 42.347 42.059 0.037 0.000 1.193 110 L HN 0.123 nan 8.230 nan 0.000 0.502 120 T N -0.109 114.561 114.554 0.194 0.000 2.684 120 T HA -0.240 4.114 4.350 0.006 0.000 0.267 120 T C 1.635 176.500 174.700 0.275 0.000 1.036 120 T CA 1.833 64.062 62.100 0.215 0.000 1.148 120 T CB -0.195 68.802 68.868 0.214 0.000 0.863 120 T HN 0.394 nan 8.240 nan 0.000 0.436 121 Q N -0.314 119.626 119.800 0.234 0.000 2.061 121 Q HA -0.146 4.197 4.340 0.006 0.000 0.204 121 Q C 2.083 178.129 176.000 0.076 0.000 0.984 121 Q CA 1.605 57.400 55.803 -0.012 0.000 0.846 121 Q CB -0.339 28.149 28.738 -0.415 0.000 0.902 121 Q HN 0.564 nan 8.270 nan 0.000 0.421 122 F N 0.891 120.869 119.950 0.048 0.000 2.126 122 F HA -0.275 4.255 4.527 0.004 0.000 0.299 122 F C 2.424 178.239 175.800 0.024 0.000 1.096 122 F CA 1.544 59.578 58.000 0.057 0.000 1.255 122 F CB 0.019 39.114 39.000 0.157 0.000 0.997 122 F HN 0.166 nan 8.300 nan 0.000 0.479 123 Q N -0.036 119.947 119.800 0.305 0.000 2.084 123 Q HA -0.155 4.188 4.340 0.006 0.000 0.202 123 Q C 2.535 178.562 176.000 0.045 0.000 0.978 123 Q CA 1.677 57.592 55.803 0.186 0.000 0.844 123 Q CB -1.037 27.791 28.738 0.150 0.000 0.898 123 Q HN 0.373 nan 8.270 nan 0.000 0.426 124 V N 0.269 120.198 119.914 0.025 0.000 2.295 124 V HA -0.217 3.907 4.120 0.006 0.000 0.246 124 V C 2.024 177.941 176.094 -0.295 0.000 1.049 124 V CA 1.576 63.821 62.300 -0.093 0.000 1.024 124 V CB -0.668 31.156 31.823 0.003 0.000 0.648 124 V HN 0.175 nan 8.190 nan 0.000 0.447 125 F N 0.365 120.085 119.950 -0.385 0.000 2.365 125 F HA -0.079 4.453 4.527 0.008 0.000 0.300 125 F C 2.279 177.850 175.800 -0.383 0.000 1.090 125 F CA 1.265 58.945 58.000 -0.534 0.000 1.408 125 F CB -0.358 37.936 39.000 -1.178 0.000 1.060 125 F HN 0.059 nan 8.300 nan 0.000 0.534 126 K N -0.050 120.245 120.400 -0.175 0.000 2.209 126 K HA -0.151 4.172 4.320 0.006 0.000 0.204 126 K C 1.716 178.270 176.600 -0.076 0.000 1.048 126 K CA 1.037 57.278 56.287 -0.076 0.000 0.940 126 K CB -0.102 32.417 32.500 0.031 0.000 0.729 126 K HN 0.179 nan 8.250 nan 0.000 0.451 127 E N 0.508 120.627 120.200 -0.135 0.000 2.358 127 E HA -0.086 4.267 4.350 0.006 0.000 0.195 127 E C 1.500 177.926 176.600 -0.290 0.000 1.010 127 E CA 0.824 57.120 56.400 -0.172 0.000 0.856 127 E CB 0.219 29.820 29.700 -0.164 0.000 0.795 127 E HN 0.526 nan 8.360 nan 0.000 0.504 128 I N -1.868 118.529 120.570 -0.289 0.000 3.833 128 I HA 0.241 4.414 4.170 0.006 0.000 0.328 128 I C -0.012 176.060 176.117 -0.076 0.000 1.554 128 I CA -0.399 60.687 61.300 -0.357 0.000 1.116 128 I CB 0.578 38.387 38.000 -0.318 0.000 1.182 128 I HN -0.241 nan 8.210 nan 0.000 0.459 129 T N -1.878 112.708 114.554 0.053 0.000 2.864 129 T HA 0.445 4.798 4.350 0.006 0.000 0.299 129 T C 0.636 175.509 174.700 0.288 0.000 1.166 129 T CA -0.059 62.195 62.100 0.256 0.000 1.007 129 T CB 2.081 71.064 68.868 0.193 0.000 1.219 129 T HN 0.024 nan 8.240 nan 0.000 0.506 130 V N -2.099 117.981 119.914 0.277 0.000 3.506 130 V HA 0.728 4.851 4.120 0.006 0.000 0.263 130 V C 0.663 176.867 176.094 0.183 0.000 1.203 130 V CA 0.601 63.041 62.300 0.233 0.000 1.133 130 V CB -0.923 31.004 31.823 0.173 0.000 0.802 130 V HN 1.323 nan 8.190 nan 0.000 0.459 131 A N -0.041 122.877 122.820 0.163 0.000 2.589 131 A HA 0.867 5.190 4.320 0.006 0.000 0.296 131 A C -1.438 176.225 177.584 0.132 0.000 1.062 131 A CA -0.689 51.436 52.037 0.147 0.000 0.686 131 A CB 1.940 21.032 19.000 0.153 0.000 1.282 131 A HN 0.378 nan 8.150 nan 0.000 0.404 132 Q N -0.605 119.279 119.800 0.139 0.000 2.456 132 Q HA 0.874 5.218 4.340 0.006 0.000 0.284 132 Q C -0.787 175.339 176.000 0.209 0.000 1.061 132 Q CA -0.034 55.847 55.803 0.130 0.000 0.799 132 Q CB 2.368 31.110 28.738 0.007 0.000 1.445 132 Q HN 1.943 nan 8.270 nan 0.000 0.411 133 A N 0.882 123.811 122.820 0.181 0.000 2.555 133 A HA 0.722 5.045 4.320 0.006 0.000 0.297 133 A C -1.629 176.060 177.584 0.174 0.000 1.060 133 A CA -0.702 51.454 52.037 0.198 0.000 0.710 133 A CB 1.541 20.587 19.000 0.078 0.000 1.282 133 A HN 0.552 nan 8.150 nan 0.000 0.399 134 R N 3.136 123.757 120.500 0.203 0.000 2.215 134 R HA 0.514 4.858 4.340 0.006 0.000 0.336 134 R C -1.146 175.160 176.300 0.009 0.000 0.996 134 R CA -0.603 55.559 56.100 0.103 0.000 0.847 134 R CB 0.331 30.665 30.300 0.057 0.000 1.127 134 R HN 0.710 nan 8.270 nan 0.000 0.465 135 L N 6.021 127.225 121.223 -0.032 0.000 2.384 135 L HA 0.129 4.473 4.340 0.006 0.000 0.258 135 L C 0.192 177.042 176.870 -0.032 0.000 1.266 135 L CA -0.133 54.687 54.840 -0.033 0.000 1.162 135 L CB 0.052 42.083 42.059 -0.048 0.000 1.375 135 L HN 0.693 nan 8.230 nan 0.000 0.420 136 D N -1.635 118.748 120.400 -0.029 0.000 2.402 136 D HA 0.042 4.686 4.640 0.006 0.000 0.216 136 D C 0.103 176.388 176.300 -0.026 0.000 1.128 136 D CA -0.162 53.819 54.000 -0.032 0.000 0.833 136 D CB 0.396 41.171 40.800 -0.042 0.000 0.971 136 D HN 0.138 nan 8.370 nan 0.000 0.503 137 D N 0.871 121.259 120.400 -0.020 0.000 2.386 137 D HA 0.143 4.786 4.640 0.006 0.000 0.247 137 D C -1.804 174.488 176.300 -0.013 0.000 1.336 137 D CA -1.817 52.173 54.000 -0.017 0.000 0.976 137 D CB 2.386 43.176 40.800 -0.016 0.000 1.257 137 D HN -0.203 nan 8.370 nan 0.000 0.570 138 P HA -0.156 nan 4.420 nan 0.000 0.217 138 P C 1.148 178.443 177.300 -0.009 0.000 1.148 138 P CA 0.842 63.935 63.100 -0.012 0.000 0.828 138 P CB 0.349 32.037 31.700 -0.020 0.000 0.783 139 A N 0.523 123.336 122.820 -0.011 0.000 1.969 139 A HA -0.135 4.188 4.320 0.006 0.000 0.218 139 A C 2.096 179.679 177.584 -0.002 0.000 1.169 139 A CA 1.526 53.559 52.037 -0.007 0.000 0.635 139 A CB -0.768 18.227 19.000 -0.010 0.000 0.810 139 A HN 0.228 nan 8.150 nan 0.000 0.445 140 K N -0.760 119.639 120.400 -0.003 0.000 2.358 140 K HA 0.372 4.695 4.320 0.006 0.000 0.197 140 K C 1.895 178.497 176.600 0.004 0.000 1.025 140 K CA 0.444 56.732 56.287 0.001 0.000 1.104 140 K CB 0.195 32.694 32.500 -0.001 0.000 0.855 140 K HN 0.364 nan 8.250 nan 0.000 0.531 141 A N 2.745 125.566 122.820 0.003 0.000 1.883 141 A HA -0.103 4.220 4.320 0.006 0.000 0.217 141 A C -0.606 176.985 177.584 0.011 0.000 1.186 141 A CA 1.347 53.387 52.037 0.004 0.000 0.624 141 A CB -1.318 17.684 19.000 0.002 0.000 0.822 141 A HN 0.101 nan 8.150 nan 0.000 0.444 142 P HA -0.147 nan 4.420 nan 0.000 0.215 142 P C 1.718 179.030 177.300 0.021 0.000 1.153 142 P CA 2.062 65.173 63.100 0.019 0.000 0.853 142 P CB -0.107 31.605 31.700 0.021 0.000 0.788 143 A N -0.376 122.456 122.820 0.019 0.000 1.929 143 A HA -0.171 4.152 4.320 0.006 0.000 0.216 143 A C 2.190 179.790 177.584 0.027 0.000 1.176 143 A CA 1.330 53.381 52.037 0.023 0.000 0.628 143 A CB -0.954 18.056 19.000 0.017 0.000 0.816 143 A HN 0.056 nan 8.150 nan 0.000 0.444 144 E N 0.046 120.259 120.200 0.023 0.000 2.106 144 E HA -0.112 4.241 4.350 0.006 0.000 0.192 144 E C 1.969 178.587 176.600 0.030 0.000 0.984 144 E CA 0.893 57.309 56.400 0.028 0.000 0.806 144 E CB -0.334 29.380 29.700 0.022 0.000 0.750 144 E HN 0.723 nan 8.360 nan 0.000 0.458 145 I N 1.080 121.663 120.570 0.022 0.000 2.179 145 I HA -0.271 3.902 4.170 0.006 0.000 0.242 145 I C 2.506 178.644 176.117 0.035 0.000 1.088 145 I CA 1.150 62.461 61.300 0.019 0.000 1.357 145 I CB -0.352 37.657 38.000 0.015 0.000 1.051 145 I HN -0.000 nan 8.210 nan 0.000 0.409 146 A N 0.708 123.552 122.820 0.040 0.000 1.902 146 A HA -0.257 4.066 4.320 0.006 0.000 0.217 146 A C 2.443 180.075 177.584 0.081 0.000 1.181 146 A CA 1.866 53.935 52.037 0.053 0.000 0.623 146 A CB -0.669 18.360 19.000 0.049 0.000 0.818 146 A HN 0.381 nan 8.150 nan 0.000 0.443 147 R N -0.401 120.146 120.500 0.080 0.000 2.073 147 R HA -0.095 4.249 4.340 0.006 0.000 0.234 147 R C 1.925 178.305 176.300 0.134 0.000 1.134 147 R CA 1.933 58.098 56.100 0.109 0.000 0.952 147 R CB -0.431 29.912 30.300 0.071 0.000 0.850 147 R HN 0.289 nan 8.270 nan 0.000 0.433 148 V N 1.498 121.469 119.914 0.096 0.000 2.358 148 V HA -0.218 3.905 4.120 0.006 0.000 0.246 148 V C 2.403 178.550 176.094 0.089 0.000 1.047 148 V CA 1.573 63.930 62.300 0.095 0.000 1.035 148 V CB -0.378 31.480 31.823 0.059 0.000 0.658 148 V HN 0.345 nan 8.190 nan 0.000 0.452 149 L N 0.419 121.681 121.223 0.066 0.000 2.093 149 L HA -0.057 4.286 4.340 0.006 0.000 0.208 149 L C 2.645 179.550 176.870 0.058 0.000 1.085 149 L CA 1.615 56.486 54.840 0.051 0.000 0.755 149 L CB -1.198 40.883 42.059 0.036 0.000 0.904 149 L HN 0.483 nan 8.230 nan 0.000 0.435 150 G N -0.186 108.669 108.800 0.092 0.000 2.422 150 G HA2 -0.224 3.739 3.960 0.006 0.000 0.218 150 G HA3 -0.224 3.739 3.960 0.006 0.000 0.218 150 G C 1.772 176.722 174.900 0.083 0.000 1.146 150 G CA 0.813 45.972 45.100 0.099 0.000 0.769 150 G HN 0.462 nan 8.290 nan 0.000 0.547 151 A N 1.068 124.009 122.820 0.202 0.000 1.930 151 A HA 0.367 4.691 4.320 0.006 0.000 0.217 151 A C 2.797 180.413 177.584 0.053 0.000 1.175 151 A CA 1.963 54.143 52.037 0.237 0.000 0.627 151 A CB -0.679 18.517 19.000 0.327 0.000 0.815 151 A HN 0.704 nan 8.150 nan 0.000 0.443 152 A N 0.034 122.885 122.820 0.051 0.000 1.877 152 A HA -0.182 4.141 4.320 0.006 0.000 0.216 152 A C 2.244 179.819 177.584 -0.016 0.000 1.186 152 A CA 1.739 53.788 52.037 0.020 0.000 0.620 152 A CB -0.428 18.591 19.000 0.033 0.000 0.822 152 A HN 0.527 nan 8.150 nan 0.000 0.443 153 R N -0.672 119.810 120.500 -0.030 0.000 2.090 153 R HA 0.044 4.387 4.340 0.006 0.000 0.228 153 R C 2.405 178.658 176.300 -0.078 0.000 1.110 153 R CA 1.143 57.223 56.100 -0.033 0.000 0.973 153 R CB -0.384 29.890 30.300 -0.045 0.000 0.869 153 R HN 0.506 nan 8.270 nan 0.000 0.440 154 A N 0.252 122.896 122.820 -0.293 0.000 1.929 154 A HA -0.094 4.229 4.320 0.006 0.000 0.216 154 A C 1.733 179.106 177.584 -0.353 0.000 1.176 154 A CA 1.040 52.730 52.037 -0.578 0.000 0.628 154 A CB 0.075 18.225 19.000 -1.417 0.000 0.816 154 A HN 0.143 nan 8.150 nan 0.000 0.444 155 Q N -1.248 118.436 119.800 -0.193 0.000 2.247 155 Q HA 0.150 4.494 4.340 0.006 0.000 0.211 155 Q C 0.308 176.257 176.000 -0.085 0.000 0.861 155 Q CA 0.658 56.396 55.803 -0.108 0.000 0.949 155 Q CB 0.615 29.297 28.738 -0.094 0.000 1.115 155 Q HN 0.535 nan 8.270 nan 0.000 0.507 156 S N 0.792 116.464 115.700 -0.046 0.000 3.628 156 S HA -0.195 4.279 4.470 0.006 0.000 0.373 156 S C -0.355 174.149 174.600 -0.161 0.000 0.968 156 S CA 0.572 58.694 58.200 -0.130 0.000 1.215 156 S CB -0.663 62.342 63.200 -0.326 0.000 0.912 156 S HN 0.362 nan 8.310 nan 0.000 0.495 157 R N 0.218 120.639 120.500 -0.131 0.000 2.799 157 R HA 0.493 4.836 4.340 0.006 0.000 0.270 157 R C -2.997 173.286 176.300 -0.028 0.000 1.010 157 R CA -2.378 53.620 56.100 -0.170 0.000 0.916 157 R CB 1.216 31.284 30.300 -0.387 0.000 1.228 157 R HN 0.118 nan 8.270 nan 0.000 0.469 158 P HA 0.016 nan 4.420 nan 0.000 0.269 158 P C -0.840 176.548 177.300 0.146 0.000 1.215 158 P CA -0.247 62.923 63.100 0.117 0.000 0.780 158 P CB 0.619 32.421 31.700 0.170 0.000 0.898 159 V N -0.507 119.486 119.914 0.132 0.000 3.102 159 V HA 0.648 4.771 4.120 0.006 0.000 0.312 159 V C -1.574 174.610 176.094 0.150 0.000 1.135 159 V CA -1.013 61.368 62.300 0.134 0.000 1.022 159 V CB 2.141 34.019 31.823 0.091 0.000 1.056 159 V HN 0.405 nan 8.190 nan 0.000 0.436 160 Y N 2.061 122.333 120.300 -0.048 0.000 2.361 160 Y HA 0.818 5.372 4.550 0.007 0.000 0.337 160 Y C -1.227 174.574 175.900 -0.163 0.000 0.965 160 Y CA -1.291 56.713 58.100 -0.160 0.000 1.091 160 Y CB 1.808 40.124 38.460 -0.240 0.000 1.182 160 Y HN 0.780 nan 8.280 nan 0.000 0.450 161 L N 6.192 126.980 121.223 -0.725 0.000 2.376 161 L HA 0.477 4.821 4.340 0.006 0.000 0.275 161 L C -0.780 175.584 176.870 -0.842 0.000 0.987 161 L CA -0.712 53.767 54.840 -0.601 0.000 0.828 161 L CB 2.084 43.943 42.059 -0.334 0.000 1.249 161 L HN 0.627 nan 8.230 nan 0.000 0.409 162 E N 4.327 124.138 120.200 -0.649 0.000 2.151 162 E HA 0.543 4.896 4.350 0.006 0.000 0.275 162 E C -1.217 175.243 176.600 -0.234 0.000 0.936 162 E CA -0.564 55.575 56.400 -0.435 0.000 0.777 162 E CB 1.498 31.106 29.700 -0.154 0.000 1.108 162 E HN 0.494 nan 8.360 nan 0.000 0.401 163 I N 6.502 126.938 120.570 -0.224 0.000 2.420 163 I HA 0.289 4.463 4.170 0.006 0.000 0.282 163 I C -2.304 173.756 176.117 -0.096 0.000 1.019 163 I CA -2.496 58.709 61.300 -0.159 0.000 1.130 163 I CB 1.633 39.504 38.000 -0.215 0.000 1.262 163 I HN 0.340 nan 8.210 nan 0.000 0.454 164 P HA 0.018 nan 4.420 nan 0.000 0.264 164 P C 0.619 177.919 177.300 -0.001 0.000 1.193 164 P CA -0.147 62.915 63.100 -0.064 0.000 0.763 164 P CB 0.498 32.161 31.700 -0.062 0.000 0.810 165 R N 3.750 124.279 120.500 0.049 0.000 2.159 165 R HA -0.180 4.164 4.340 0.006 0.000 0.237 165 R C 1.107 177.448 176.300 0.067 0.000 1.131 165 R CA 1.688 57.843 56.100 0.093 0.000 0.982 165 R CB -0.890 29.497 30.300 0.144 0.000 0.868 165 R HN 0.406 nan 8.270 nan 0.000 0.453 166 N N 0.389 119.114 118.700 0.043 0.000 2.461 166 N HA -0.068 4.675 4.740 0.006 0.000 0.188 166 N C 1.024 176.547 175.510 0.022 0.000 1.134 166 N CA 0.627 53.695 53.050 0.030 0.000 0.878 166 N CB 0.116 38.614 38.487 0.019 0.000 0.972 166 N HN 0.271 nan 8.380 nan 0.000 0.456 167 M N 0.029 119.642 119.600 0.022 0.000 2.465 167 M HA 0.157 4.641 4.480 0.006 0.000 0.249 167 M C 1.681 178.004 176.300 0.039 0.000 1.130 167 M CA 0.038 55.348 55.300 0.017 0.000 1.067 167 M CB -0.161 32.438 32.600 -0.001 0.000 1.394 167 M HN -0.080 nan 8.290 nan 0.000 0.483 168 V N 1.795 121.750 119.914 0.068 0.000 2.324 168 V HA -0.270 3.853 4.120 0.006 0.000 0.250 168 V C 1.698 177.841 176.094 0.081 0.000 1.060 168 V CA 1.604 63.973 62.300 0.115 0.000 1.042 168 V CB -0.600 31.319 31.823 0.160 0.000 0.650 168 V HN 0.516 nan 8.190 nan 0.000 0.450 169 N N -0.174 118.558 118.700 0.053 0.000 2.270 169 N HA 0.230 4.973 4.740 0.006 0.000 0.198 169 N C 0.493 176.015 175.510 0.021 0.000 1.117 169 N CA 0.458 53.530 53.050 0.036 0.000 0.845 169 N CB 0.402 38.906 38.487 0.029 0.000 0.980 169 N HN 0.454 nan 8.380 nan 0.000 0.486 170 A N 1.138 123.968 122.820 0.017 0.000 2.477 170 A HA 0.076 4.400 4.320 0.006 0.000 0.246 170 A C 0.546 178.126 177.584 -0.008 0.000 1.078 170 A CA -0.020 52.015 52.037 -0.003 0.000 0.770 170 A CB 0.494 19.491 19.000 -0.005 0.000 1.011 170 A HN 0.042 nan 8.150 nan 0.000 0.494 171 E N 0.709 120.882 120.200 -0.045 0.000 2.316 171 E HA 0.378 4.731 4.350 0.006 0.000 0.275 171 E C 0.085 176.657 176.600 -0.047 0.000 1.029 171 E CA 0.071 56.433 56.400 -0.063 0.000 0.871 171 E CB 1.185 30.729 29.700 -0.260 0.000 1.022 171 E HN 0.709 nan 8.360 nan 0.000 0.418 172 V N -0.412 119.516 119.914 0.022 0.000 3.159 172 V HA 0.483 4.607 4.120 0.006 0.000 0.308 172 V C -0.012 176.129 176.094 0.078 0.000 1.190 172 V CA -1.129 61.190 62.300 0.031 0.000 1.037 172 V CB 1.973 33.812 31.823 0.026 0.000 1.060 172 V HN 0.502 nan 8.190 nan 0.000 0.437 173 E N 1.671 121.907 120.200 0.060 0.000 2.374 173 E HA 0.400 4.754 4.350 0.006 0.000 0.260 173 E C -2.457 174.171 176.600 0.046 0.000 1.101 173 E CA -1.609 54.829 56.400 0.065 0.000 0.907 173 E CB 0.885 30.613 29.700 0.046 0.000 1.014 173 E HN 0.624 nan 8.360 nan 0.000 0.427 174 P HA -0.033 nan 4.420 nan 0.000 0.270 174 P C -0.893 176.421 177.300 0.024 0.000 1.223 174 P CA -0.086 63.029 63.100 0.026 0.000 0.785 174 P CB 0.470 32.180 31.700 0.017 0.000 0.923 175 V N 2.239 122.166 119.914 0.021 0.000 2.530 175 V HA 0.395 4.518 4.120 0.006 0.000 0.282 175 V C 1.210 177.316 176.094 0.020 0.000 1.048 175 V CA 0.294 62.607 62.300 0.022 0.000 0.997 175 V CB 0.516 32.352 31.823 0.022 0.000 0.987 175 V HN 0.756 nan 8.190 nan 0.000 0.477 176 G N 3.383 112.196 108.800 0.022 0.000 2.509 176 G HA2 0.293 4.256 3.960 0.006 0.000 0.269 176 G HA3 0.293 4.256 3.960 0.006 0.000 0.269 176 G C -0.392 174.523 174.900 0.025 0.000 1.416 176 G CA -0.572 44.540 45.100 0.021 0.000 1.052 176 G HN 0.630 nan 8.290 nan 0.000 0.542 177 D N 0.199 120.615 120.400 0.026 0.000 2.358 177 D HA 0.215 4.858 4.640 0.006 0.000 0.244 177 D C -0.137 176.190 176.300 0.044 0.000 1.163 177 D CA -0.094 53.924 54.000 0.029 0.000 0.945 177 D CB 0.536 41.351 40.800 0.025 0.000 1.152 177 D HN 0.126 nan 8.370 nan 0.000 0.451 178 D N 1.244 121.674 120.400 0.050 0.000 2.472 178 D HA 0.102 4.746 4.640 0.006 0.000 0.237 178 D C -1.815 174.553 176.300 0.113 0.000 1.141 178 D CA -0.589 53.461 54.000 0.083 0.000 0.875 178 D CB -0.100 40.741 40.800 0.068 0.000 1.192 178 D HN 0.114 nan 8.370 nan 0.000 0.450 179 P HA 0.174 nan 4.420 nan 0.000 0.271 179 P C -0.876 176.570 177.300 0.242 0.000 1.218 179 P CA -0.469 62.716 63.100 0.142 0.000 0.780 179 P CB 0.656 32.416 31.700 0.100 0.000 0.901 180 A N 2.488 125.412 122.820 0.174 0.000 2.425 180 A HA 0.239 4.562 4.320 0.006 0.000 0.249 180 A C -0.590 177.178 177.584 0.307 0.000 1.084 180 A CA -0.373 51.794 52.037 0.216 0.000 0.781 180 A CB -0.233 18.833 19.000 0.111 0.000 1.019 180 A HN 0.566 nan 8.150 nan 0.000 0.490 181 W N 1.983 123.271 121.300 -0.020 0.000 1.948 181 W HA 0.400 5.063 4.660 0.005 0.000 0.335 181 W C -2.144 174.362 176.519 -0.022 0.000 0.753 181 W CA -2.473 54.860 57.345 -0.020 0.000 2.601 181 W CB -1.186 28.256 29.460 -0.030 0.000 2.143 181 W HN 0.511 nan 8.180 nan 0.000 0.636 182 P HA -0.119 nan 4.420 nan 0.000 0.268 182 P C -0.216 177.132 177.300 0.081 0.000 1.171 182 P CA 0.549 63.702 63.100 0.089 0.000 0.761 182 P CB 0.768 32.501 31.700 0.054 0.000 0.786 183 V N 2.023 121.970 119.914 0.055 0.000 2.628 183 V HA 0.211 4.334 4.120 0.006 0.000 0.306 183 V C 0.126 176.242 176.094 0.037 0.000 1.045 183 V CA -0.648 61.681 62.300 0.048 0.000 0.905 183 V CB 1.890 33.733 31.823 0.033 0.000 0.997 183 V HN 0.547 nan 8.190 nan 0.000 0.436 184 D N 3.618 124.043 120.400 0.042 0.000 2.338 184 D HA 0.102 4.745 4.640 0.006 0.000 0.255 184 D C 1.191 177.510 176.300 0.031 0.000 1.237 184 D CA -0.239 53.784 54.000 0.037 0.000 0.883 184 D CB 0.903 41.732 40.800 0.047 0.000 1.087 184 D HN 0.344 nan 8.370 nan 0.000 0.485 185 R N 3.136 123.649 120.500 0.022 0.000 2.091 185 R HA -0.126 4.217 4.340 0.006 0.000 0.238 185 R C 1.062 177.370 176.300 0.014 0.000 1.136 185 R CA 1.016 57.124 56.100 0.013 0.000 0.959 185 R CB -0.200 30.106 30.300 0.010 0.000 0.856 185 R HN 0.589 nan 8.270 nan 0.000 0.437 186 D N 0.454 120.868 120.400 0.023 0.000 2.117 186 D HA -0.084 4.559 4.640 0.006 0.000 0.198 186 D C 1.782 178.108 176.300 0.043 0.000 0.982 186 D CA 1.456 55.472 54.000 0.028 0.000 0.828 186 D CB -0.157 40.662 40.800 0.031 0.000 0.967 186 D HN 0.183 nan 8.370 nan 0.000 0.464 187 A N 0.853 123.711 122.820 0.064 0.000 1.898 187 A HA -0.112 4.211 4.320 0.006 0.000 0.216 187 A C 2.163 179.774 177.584 0.046 0.000 1.181 187 A CA 0.848 52.955 52.037 0.117 0.000 0.620 187 A CB -0.648 18.440 19.000 0.146 0.000 0.819 187 A HN 0.227 nan 8.150 nan 0.000 0.442 188 L N -0.136 121.092 121.223 0.009 0.000 2.046 188 L HA -0.060 4.284 4.340 0.006 0.000 0.208 188 L C 2.622 179.442 176.870 -0.084 0.000 1.077 188 L CA 2.213 57.026 54.840 -0.046 0.000 0.747 188 L CB -0.802 41.245 42.059 -0.020 0.000 0.896 188 L HN 0.333 nan 8.230 nan 0.000 0.432 189 A N -0.327 122.466 122.820 -0.045 0.000 1.877 189 A HA -0.119 4.204 4.320 0.006 0.000 0.216 189 A C 2.475 180.015 177.584 -0.073 0.000 1.186 189 A CA 1.969 53.978 52.037 -0.047 0.000 0.620 189 A CB -1.308 17.682 19.000 -0.017 0.000 0.822 189 A HN 0.589 nan 8.150 nan 0.000 0.443 190 A N -1.147 121.643 122.820 -0.050 0.000 1.940 190 A HA -0.225 4.098 4.320 0.006 0.000 0.219 190 A C 2.414 179.849 177.584 -0.249 0.000 1.176 190 A CA 1.815 53.832 52.037 -0.035 0.000 0.631 190 A CB -1.419 17.658 19.000 0.128 0.000 0.814 190 A HN 0.810 nan 8.150 nan 0.000 0.446 191 C N -0.839 118.122 119.300 -0.566 0.000 2.462 191 C HA 0.104 4.568 4.460 0.006 0.000 0.278 191 C C 3.184 177.897 174.990 -0.461 0.000 1.253 191 C CA 1.313 59.707 59.018 -1.040 0.000 1.713 191 C CB -1.324 25.863 27.740 -0.921 0.000 2.049 191 C HN 0.693 nan 8.230 nan 0.000 0.477 192 A N 0.325 122.985 122.820 -0.267 0.000 1.908 192 A HA -0.190 4.133 4.320 0.006 0.000 0.218 192 A C 1.860 179.367 177.584 -0.128 0.000 1.181 192 A CA 2.363 54.308 52.037 -0.154 0.000 0.627 192 A CB -0.813 18.134 19.000 -0.088 0.000 0.818 192 A HN 0.670 nan 8.150 nan 0.000 0.445 193 D N -0.742 119.591 120.400 -0.111 0.000 2.097 193 D HA -0.161 4.482 4.640 0.006 0.000 0.195 193 D C 1.925 178.187 176.300 -0.064 0.000 0.989 193 D CA 1.564 55.524 54.000 -0.067 0.000 0.827 193 D CB -0.349 40.428 40.800 -0.038 0.000 0.966 193 D HN 0.726 nan 8.370 nan 0.000 0.456 194 E N 0.304 120.461 120.200 -0.072 0.000 2.072 194 E HA -0.121 4.232 4.350 0.006 0.000 0.191 194 E C 2.130 178.685 176.600 -0.075 0.000 0.985 194 E CA 0.568 56.957 56.400 -0.019 0.000 0.801 194 E CB 0.188 29.945 29.700 0.095 0.000 0.750 194 E HN -0.014 nan 8.360 nan 0.000 0.452 195 V N 1.618 121.437 119.914 -0.159 0.000 2.295 195 V HA -0.278 3.846 4.120 0.006 0.000 0.246 195 V C 2.493 178.450 176.094 -0.229 0.000 1.049 195 V CA 1.586 63.727 62.300 -0.265 0.000 1.024 195 V CB -0.447 31.146 31.823 -0.383 0.000 0.648 195 V HN 0.403 nan 8.190 nan 0.000 0.447 196 L N -0.276 120.857 121.223 -0.150 0.000 2.046 196 L HA -0.186 4.158 4.340 0.006 0.000 0.208 196 L C 2.618 179.449 176.870 -0.066 0.000 1.077 196 L CA 1.796 56.582 54.840 -0.090 0.000 0.747 196 L CB -0.562 41.465 42.059 -0.052 0.000 0.896 196 L HN 0.394 nan 8.230 nan 0.000 0.432 197 A N -0.377 122.411 122.820 -0.055 0.000 1.908 197 A HA -0.211 4.113 4.320 0.006 0.000 0.218 197 A C 2.403 179.966 177.584 -0.035 0.000 1.181 197 A CA 1.743 53.761 52.037 -0.032 0.000 0.627 197 A CB -0.712 18.279 19.000 -0.015 0.000 0.818 197 A HN 0.529 nan 8.150 nan 0.000 0.445 198 A N -1.155 121.631 122.820 -0.057 0.000 1.930 198 A HA -0.063 4.260 4.320 0.006 0.000 0.217 198 A C 2.126 179.672 177.584 -0.063 0.000 1.175 198 A CA 1.826 53.828 52.037 -0.059 0.000 0.627 198 A CB -0.415 18.532 19.000 -0.088 0.000 0.815 198 A HN 0.419 nan 8.150 nan 0.000 0.443 199 M N -0.658 118.893 119.600 -0.083 0.000 2.254 199 M HA -0.017 4.466 4.480 0.006 0.000 0.265 199 M C 2.085 178.374 176.300 -0.018 0.000 1.066 199 M CA 1.255 56.526 55.300 -0.049 0.000 1.123 199 M CB -1.079 31.494 32.600 -0.045 0.000 1.388 199 M HN 0.398 nan 8.290 nan 0.000 0.425 200 R N -0.114 120.374 120.500 -0.019 0.000 2.153 200 R HA -0.033 4.310 4.340 0.006 0.000 0.218 200 R C 2.264 178.561 176.300 -0.005 0.000 1.072 200 R CA 1.533 57.629 56.100 -0.007 0.000 0.990 200 R CB -0.171 30.125 30.300 -0.007 0.000 0.889 200 R HN 0.456 nan 8.270 nan 0.000 0.452 201 S N 0.046 115.741 115.700 -0.008 0.000 2.501 201 S HA 0.187 4.661 4.470 0.006 0.000 0.220 201 S C 0.948 175.547 174.600 -0.002 0.000 0.997 201 S CA -0.109 58.089 58.200 -0.003 0.000 0.919 201 S CB 0.298 63.497 63.200 -0.002 0.000 0.778 201 S HN 0.224 nan 8.310 nan 0.000 0.523 202 A N 1.529 124.346 122.820 -0.005 0.000 2.445 202 A HA 0.474 4.798 4.320 0.006 0.000 0.242 202 A C 1.259 178.845 177.584 0.003 0.000 1.075 202 A CA 0.069 52.105 52.037 -0.002 0.000 0.777 202 A CB 0.003 19.001 19.000 -0.005 0.000 1.013 202 A HN 0.322 nan 8.150 nan 0.000 0.493 203 T N 0.681 115.238 114.554 0.004 0.000 2.942 203 T HA 0.047 4.401 4.350 0.006 0.000 0.265 203 T C 0.974 175.679 174.700 0.008 0.000 1.062 203 T CA 1.780 63.884 62.100 0.006 0.000 1.139 203 T CB 0.052 68.924 68.868 0.007 0.000 0.883 203 T HN 0.633 nan 8.240 nan 0.000 0.468 204 S N 2.490 118.195 115.700 0.008 0.000 2.204 204 S HA 0.325 4.798 4.470 0.006 0.000 0.147 204 S C -2.904 171.704 174.600 0.012 0.000 1.711 204 S CA -1.515 56.691 58.200 0.011 0.000 1.274 204 S CB 0.572 63.778 63.200 0.010 0.000 1.257 204 S HN 0.054 nan 8.310 nan 0.000 0.404 205 P HA 0.328 nan 4.420 nan 0.000 0.275 205 P C -0.822 176.500 177.300 0.037 0.000 1.228 205 P CA -0.310 62.806 63.100 0.028 0.000 0.786 205 P CB 1.309 33.028 31.700 0.032 0.000 0.927 206 V N 3.681 123.626 119.914 0.051 0.000 2.733 206 V HA 0.243 4.366 4.120 0.006 0.000 0.306 206 V C -0.259 175.879 176.094 0.073 0.000 1.084 206 V CA -0.772 61.554 62.300 0.043 0.000 0.905 206 V CB 2.064 33.895 31.823 0.014 0.000 1.010 206 V HN 0.410 nan 8.190 nan 0.000 0.424 207 L N 5.840 127.091 121.223 0.045 0.000 2.265 207 L HA 0.651 4.995 4.340 0.006 0.000 0.289 207 L C -0.345 176.495 176.870 -0.050 0.000 1.033 207 L CA 0.149 54.993 54.840 0.007 0.000 0.814 207 L CB 1.110 43.158 42.059 -0.018 0.000 1.203 207 L HN 0.653 nan 8.230 nan 0.000 0.423 208 M N 5.414 124.967 119.600 -0.079 0.000 2.180 208 M HA 0.411 4.894 4.480 0.006 0.000 0.350 208 M C -0.900 175.335 176.300 -0.108 0.000 1.125 208 M CA -0.730 54.526 55.300 -0.073 0.000 1.031 208 M CB 1.794 34.356 32.600 -0.063 0.000 1.623 208 M HN 0.295 nan 8.290 nan 0.000 0.451 209 V N 3.644 123.511 119.914 -0.078 0.000 2.370 209 V HA 0.376 4.500 4.120 0.006 0.000 0.279 209 V C -0.133 175.937 176.094 -0.040 0.000 1.029 209 V CA -0.393 61.859 62.300 -0.080 0.000 0.870 209 V CB 1.001 32.780 31.823 -0.074 0.000 0.984 209 V HN 1.042 nan 8.190 nan 0.000 0.451 210 C N 3.089 122.375 119.300 -0.023 0.000 3.205 210 C HA 0.472 4.936 4.460 0.006 0.000 0.372 210 C C 1.852 176.856 174.990 0.023 0.000 1.892 210 C CA -0.337 58.694 59.018 0.021 0.000 1.516 210 C CB 1.326 29.098 27.740 0.053 0.000 2.371 210 C HN 0.590 nan 8.230 nan 0.000 0.468 211 V N 1.117 121.070 119.914 0.065 0.000 2.278 211 V HA -0.246 3.877 4.120 0.006 0.000 0.251 211 V C 2.263 178.340 176.094 -0.029 0.000 1.062 211 V CA 2.519 64.837 62.300 0.029 0.000 1.038 211 V CB -0.675 31.207 31.823 0.098 0.000 0.646 211 V HN 0.902 nan 8.190 nan 0.000 0.447 212 E N -0.763 119.451 120.200 0.024 0.000 2.204 212 E HA -0.174 4.180 4.350 0.006 0.000 0.195 212 E C 2.157 178.727 176.600 -0.050 0.000 0.990 212 E CA 1.418 57.760 56.400 -0.097 0.000 0.821 212 E CB -0.164 29.609 29.700 0.122 0.000 0.750 212 E HN 0.597 nan 8.360 nan 0.000 0.477 213 V N 1.236 121.154 119.914 0.006 0.000 2.343 213 V HA -0.276 3.848 4.120 0.006 0.000 0.247 213 V C 2.444 178.520 176.094 -0.029 0.000 1.051 213 V CA 1.916 64.221 62.300 0.007 0.000 1.036 213 V CB -0.496 31.313 31.823 -0.023 0.000 0.654 213 V HN 0.231 nan 8.190 nan 0.000 0.451 214 R N -0.193 120.265 120.500 -0.071 0.000 2.062 214 R HA -0.106 4.238 4.340 0.006 0.000 0.229 214 R C 2.607 178.833 176.300 -0.123 0.000 1.128 214 R CA 1.066 57.111 56.100 -0.091 0.000 0.960 214 R CB -0.148 30.089 30.300 -0.104 0.000 0.855 214 R HN 0.328 nan 8.270 nan 0.000 0.432 215 R N -0.094 120.277 120.500 -0.216 0.000 2.091 215 R HA -0.164 4.179 4.340 0.006 0.000 0.238 215 R C 1.655 177.782 176.300 -0.288 0.000 1.136 215 R CA 1.373 57.278 56.100 -0.325 0.000 0.959 215 R CB -0.634 29.334 30.300 -0.553 0.000 0.856 215 R HN 0.381 nan 8.270 nan 0.000 0.437 216 Y N -0.070 120.196 120.300 -0.057 0.000 2.461 216 Y HA 0.259 4.812 4.550 0.005 0.000 0.277 216 Y C 1.287 177.153 175.900 -0.057 0.000 1.182 216 Y CA -0.168 57.892 58.100 -0.066 0.000 1.276 216 Y CB -0.379 38.035 38.460 -0.077 0.000 1.087 216 Y HN 0.278 nan 8.280 nan 0.000 0.519 217 G N 1.085 109.916 108.800 0.051 0.000 2.323 217 G HA2 -0.291 3.673 3.960 0.006 0.000 0.292 217 G HA3 -0.291 3.673 3.960 0.006 0.000 0.292 217 G C 0.429 175.340 174.900 0.020 0.000 1.040 217 G CA 0.502 45.612 45.100 0.017 0.000 0.942 217 G HN 0.505 nan 8.290 nan 0.000 0.506 218 L N -0.599 120.640 121.223 0.028 0.000 2.741 218 L HA 0.267 4.611 4.340 0.006 0.000 0.237 218 L C 2.059 178.923 176.870 -0.009 0.000 1.178 218 L CA 0.447 55.295 54.840 0.014 0.000 0.973 218 L CB 0.175 42.253 42.059 0.031 0.000 1.255 218 L HN 0.502 nan 8.230 nan 0.000 0.498 219 E N 1.613 121.801 120.200 -0.019 0.000 2.058 219 E HA -0.271 4.083 4.350 0.006 0.000 0.194 219 E C 2.236 178.821 176.600 -0.025 0.000 0.997 219 E CA 1.650 58.033 56.400 -0.029 0.000 0.801 219 E CB 0.158 29.836 29.700 -0.037 0.000 0.746 219 E HN 0.525 nan 8.360 nan 0.000 0.450 220 A N 1.339 124.147 122.820 -0.021 0.000 1.877 220 A HA -0.191 4.132 4.320 0.006 0.000 0.216 220 A C 2.112 179.687 177.584 -0.016 0.000 1.186 220 A CA 1.566 53.592 52.037 -0.017 0.000 0.620 220 A CB -0.399 18.593 19.000 -0.015 0.000 0.822 220 A HN 0.087 nan 8.150 nan 0.000 0.443 221 K N -0.313 120.078 120.400 -0.015 0.000 2.097 221 K HA -0.062 4.261 4.320 0.006 0.000 0.206 221 K C 1.942 178.532 176.600 -0.017 0.000 1.049 221 K CA 1.385 57.664 56.287 -0.013 0.000 0.933 221 K CB -0.626 31.866 32.500 -0.012 0.000 0.717 221 K HN 0.373 nan 8.250 nan 0.000 0.442 222 V N 1.202 121.101 119.914 -0.025 0.000 2.591 222 V HA -0.130 3.993 4.120 0.006 0.000 0.249 222 V C 2.387 178.461 176.094 -0.033 0.000 1.053 222 V CA 1.504 63.781 62.300 -0.038 0.000 1.068 222 V CB -0.531 31.260 31.823 -0.054 0.000 0.689 222 V HN 0.235 nan 8.190 nan 0.000 0.462 223 A N 0.272 123.076 122.820 -0.027 0.000 1.902 223 A HA -0.244 4.079 4.320 0.006 0.000 0.217 223 A C 2.197 179.772 177.584 -0.015 0.000 1.181 223 A CA 2.053 54.077 52.037 -0.022 0.000 0.623 223 A CB -0.421 18.568 19.000 -0.020 0.000 0.818 223 A HN 0.534 nan 8.150 nan 0.000 0.443 224 E N -0.230 119.963 120.200 -0.012 0.000 2.072 224 E HA -0.155 4.198 4.350 0.006 0.000 0.191 224 E C 1.799 178.398 176.600 -0.001 0.000 0.985 224 E CA 1.270 57.667 56.400 -0.006 0.000 0.801 224 E CB -0.399 29.298 29.700 -0.005 0.000 0.750 224 E HN 0.429 nan 8.360 nan 0.000 0.452 225 L N 0.286 121.507 121.223 -0.003 0.000 2.046 225 L HA -0.036 4.307 4.340 0.006 0.000 0.208 225 L C 2.192 179.068 176.870 0.010 0.000 1.077 225 L CA 2.329 57.173 54.840 0.008 0.000 0.747 225 L CB -1.007 41.053 42.059 0.002 0.000 0.896 225 L HN 0.173 nan 8.230 nan 0.000 0.432 226 A N -0.979 121.837 122.820 -0.006 0.000 1.902 226 A HA -0.292 4.031 4.320 0.006 0.000 0.217 226 A C 2.342 179.929 177.584 0.005 0.000 1.181 226 A CA 1.872 53.906 52.037 -0.005 0.000 0.623 226 A CB -0.762 18.226 19.000 -0.019 0.000 0.818 226 A HN 0.688 nan 8.150 nan 0.000 0.443 227 Q N -0.485 119.317 119.800 0.002 0.000 2.050 227 Q HA -0.190 4.154 4.340 0.006 0.000 0.202 227 Q C 2.290 178.296 176.000 0.010 0.000 0.980 227 Q CA 1.621 57.427 55.803 0.005 0.000 0.840 227 Q CB -0.116 28.623 28.738 0.002 0.000 0.898 227 Q HN 0.678 nan 8.270 nan 0.000 0.424 228 R N -0.140 120.367 120.500 0.012 0.000 2.092 228 R HA -0.105 4.239 4.340 0.006 0.000 0.231 228 R C 2.342 178.656 176.300 0.023 0.000 1.119 228 R CA 0.876 56.985 56.100 0.016 0.000 0.970 228 R CB -0.300 30.009 30.300 0.016 0.000 0.864 228 R HN 0.245 nan 8.270 nan 0.000 0.440 229 L N 0.309 121.551 121.223 0.032 0.000 2.141 229 L HA 0.036 4.380 4.340 0.006 0.000 0.209 229 L C 1.225 178.116 176.870 0.035 0.000 1.094 229 L CA 2.058 56.925 54.840 0.045 0.000 0.763 229 L CB -0.553 41.550 42.059 0.073 0.000 0.908 229 L HN 0.493 nan 8.230 nan 0.000 0.437 230 G N -0.897 107.919 108.800 0.027 0.000 2.153 230 G HA2 -0.234 3.730 3.960 0.006 0.000 0.252 230 G HA3 -0.234 3.730 3.960 0.006 0.000 0.252 230 G C 0.358 175.272 174.900 0.023 0.000 0.994 230 G CA 0.563 45.676 45.100 0.021 0.000 0.698 230 G HN 0.810 nan 8.290 nan 0.000 0.521 231 V N -3.110 116.822 119.914 0.031 0.000 2.966 231 V HA 0.901 5.024 4.120 0.006 0.000 0.317 231 V C -1.815 174.294 176.094 0.024 0.000 1.070 231 V CA -2.778 59.541 62.300 0.031 0.000 1.008 231 V CB 1.443 33.295 31.823 0.048 0.000 1.070 231 V HN 0.031 nan 8.190 nan 0.000 0.457 232 P HA 0.259 nan 4.420 nan 0.000 0.265 232 P C -0.738 176.569 177.300 0.012 0.000 1.193 232 P CA 0.108 63.218 63.100 0.016 0.000 0.765 232 P CB 0.585 32.296 31.700 0.017 0.000 0.823 233 V N 4.449 124.365 119.914 0.003 0.000 2.435 233 V HA 0.437 4.560 4.120 0.006 0.000 0.290 233 V C 0.183 176.274 176.094 -0.006 0.000 1.030 233 V CA -0.431 61.864 62.300 -0.008 0.000 0.881 233 V CB 1.988 33.801 31.823 -0.016 0.000 0.983 233 V HN 0.245 nan 8.190 nan 0.000 0.445 234 V N 3.190 123.098 119.914 -0.009 0.000 2.841 234 V HA 0.641 4.765 4.120 0.006 0.000 0.310 234 V C 0.079 176.172 176.094 -0.001 0.000 1.090 234 V CA -0.563 61.741 62.300 0.006 0.000 0.930 234 V CB 2.636 34.474 31.823 0.025 0.000 1.014 234 V HN 0.992 nan 8.190 nan 0.000 0.425 235 T N -0.339 114.220 114.554 0.008 0.000 2.944 235 T HA 0.709 5.063 4.350 0.006 0.000 0.284 235 T C 0.117 174.854 174.700 0.062 0.000 1.010 235 T CA -0.251 61.851 62.100 0.004 0.000 1.025 235 T CB 1.731 70.579 68.868 -0.033 0.000 1.079 235 T HN 0.883 nan 8.240 nan 0.000 0.516 236 T N -0.470 114.130 114.554 0.077 0.000 2.862 236 T HA 0.391 4.744 4.350 0.006 0.000 0.276 236 T C 0.851 175.652 174.700 0.168 0.000 0.974 236 T CA -0.844 61.370 62.100 0.189 0.000 0.966 236 T CB 0.467 69.467 68.868 0.219 0.000 1.072 236 T HN 0.520 nan 8.240 nan 0.000 0.538 237 F N 0.835 120.867 119.950 0.136 0.000 2.091 237 F HA -0.028 4.503 4.527 0.005 0.000 0.299 237 F C 2.168 177.893 175.800 -0.125 0.000 1.103 237 F CA 1.583 59.565 58.000 -0.030 0.000 1.228 237 F CB -0.479 38.512 39.000 -0.016 0.000 0.984 237 F HN 0.389 nan 8.300 nan 0.000 0.477 238 M N -0.455 119.071 119.600 -0.122 0.000 2.659 238 M HA 0.084 4.567 4.480 0.006 0.000 0.243 238 M C 1.653 177.847 176.300 -0.178 0.000 1.111 238 M CA 0.941 56.085 55.300 -0.260 0.000 1.070 238 M CB -0.684 31.836 32.600 -0.133 0.000 1.525 238 M HN 0.349 nan 8.290 nan 0.000 0.517 239 G N 0.066 108.789 108.800 -0.127 0.000 3.324 239 G HA2 0.106 4.069 3.960 0.006 0.000 0.251 239 G HA3 0.106 4.069 3.960 0.006 0.000 0.251 239 G C 0.459 175.274 174.900 -0.142 0.000 1.072 239 G CA -0.457 44.582 45.100 -0.102 0.000 0.787 239 G HN 0.281 nan 8.290 nan 0.000 0.537 240 R N 0.453 120.813 120.500 -0.232 0.000 2.504 240 R HA 0.328 4.671 4.340 0.006 0.000 0.291 240 R C 1.593 177.785 176.300 -0.181 0.000 0.974 240 R CA 1.540 57.498 56.100 -0.238 0.000 1.077 240 R CB 0.005 30.067 30.300 -0.397 0.000 0.926 240 R HN 0.366 nan 8.270 nan 0.000 0.407 241 G N 3.175 111.899 108.800 -0.128 0.000 2.241 241 G HA2 -0.294 3.669 3.960 0.006 0.000 0.244 241 G HA3 -0.294 3.669 3.960 0.006 0.000 0.244 241 G C 0.181 175.033 174.900 -0.081 0.000 0.998 241 G CA 0.003 45.045 45.100 -0.096 0.000 0.621 241 G HN 0.504 nan 8.290 nan 0.000 0.519 242 L N 0.460 121.632 121.223 -0.085 0.000 2.461 242 L HA 0.418 4.762 4.340 0.006 0.000 0.272 242 L C 1.618 178.455 176.870 -0.054 0.000 1.197 242 L CA -0.146 54.652 54.840 -0.070 0.000 0.836 242 L CB 0.668 42.685 42.059 -0.070 0.000 1.105 242 L HN 0.239 nan 8.230 nan 0.000 0.477 243 L N 1.981 123.177 121.223 -0.046 0.000 4.179 243 L HA -0.313 4.030 4.340 0.006 0.000 0.418 243 L C 1.529 178.381 176.870 -0.029 0.000 1.168 243 L CA 1.233 56.052 54.840 -0.036 0.000 0.972 243 L CB -1.876 40.162 42.059 -0.036 0.000 2.005 243 L HN 0.834 nan 8.230 nan 0.000 0.935 244 A N -1.002 121.799 122.820 -0.031 0.000 1.933 244 A HA -0.150 4.174 4.320 0.006 0.000 0.218 244 A C 1.634 179.210 177.584 -0.013 0.000 1.175 244 A CA 1.965 53.990 52.037 -0.020 0.000 0.628 244 A CB -0.219 18.769 19.000 -0.020 0.000 0.814 244 A HN 0.572 nan 8.150 nan 0.000 0.444 245 D N -0.231 120.160 120.400 -0.016 0.000 2.342 245 D HA 0.387 5.030 4.640 0.006 0.000 0.221 245 D C 0.554 176.847 176.300 -0.012 0.000 1.101 245 D CA 0.568 54.561 54.000 -0.012 0.000 0.837 245 D CB 0.051 40.843 40.800 -0.014 0.000 0.938 245 D HN 0.427 nan 8.370 nan 0.000 0.508 246 A N 1.488 124.300 122.820 -0.014 0.000 2.332 246 A HA 0.365 4.688 4.320 0.006 0.000 0.258 246 A C -1.375 176.205 177.584 -0.008 0.000 1.087 246 A CA -0.993 51.036 52.037 -0.013 0.000 0.802 246 A CB 0.612 19.602 19.000 -0.017 0.000 1.042 246 A HN -0.148 nan 8.150 nan 0.000 0.489 247 P HA -0.077 nan 4.420 nan 0.000 0.218 247 P C 0.565 177.864 177.300 -0.002 0.000 1.148 247 P CA 2.034 65.132 63.100 -0.003 0.000 0.822 247 P CB 0.079 31.778 31.700 -0.003 0.000 0.784 248 T N -4.373 110.178 114.554 -0.004 0.000 3.327 248 T HA 0.367 4.721 4.350 0.006 0.000 0.373 248 T C -2.826 171.870 174.700 -0.007 0.000 1.589 248 T CA -2.496 59.602 62.100 -0.003 0.000 1.497 248 T CB 0.596 69.463 68.868 -0.001 0.000 1.032 248 T HN -0.081 nan 8.240 nan 0.000 0.640 249 P HA 0.266 nan 4.420 nan 0.000 0.270 249 P C -2.637 174.656 177.300 -0.012 0.000 1.223 249 P CA -1.205 61.889 63.100 -0.011 0.000 0.785 249 P CB -0.314 31.382 31.700 -0.007 0.000 0.923 250 P HA 0.061 nan 4.420 nan 0.000 0.267 250 P C 1.147 178.439 177.300 -0.012 0.000 1.200 250 P CA 0.257 63.346 63.100 -0.018 0.000 0.772 250 P CB 0.224 31.907 31.700 -0.028 0.000 0.855 251 L N 0.607 121.828 121.223 -0.004 0.000 2.291 251 L HA 0.159 4.502 4.340 0.006 0.000 0.214 251 L C 1.344 178.210 176.870 -0.006 0.000 1.120 251 L CA 1.097 55.938 54.840 0.002 0.000 0.799 251 L CB -0.787 41.279 42.059 0.013 0.000 0.925 251 L HN 0.633 nan 8.230 nan 0.000 0.446 252 G N -1.229 107.562 108.800 -0.015 0.000 2.323 252 G HA2 0.207 4.171 3.960 0.006 0.000 0.291 252 G HA3 0.207 4.171 3.960 0.006 0.000 0.291 252 G C -1.354 173.533 174.900 -0.022 0.000 1.278 252 G CA -0.589 44.488 45.100 -0.040 0.000 0.860 252 G HN -0.218 nan 8.290 nan 0.000 0.504 253 T N 0.324 114.859 114.554 -0.031 0.000 2.807 253 T HA 0.515 4.869 4.350 0.006 0.000 0.279 253 T C -1.279 173.467 174.700 0.078 0.000 0.993 253 T CA -0.144 61.964 62.100 0.013 0.000 0.970 253 T CB 1.496 70.336 68.868 -0.047 0.000 0.950 253 T HN 0.565 nan 8.240 nan 0.000 0.441 254 Y N 4.813 125.126 120.300 0.022 0.000 2.365 254 Y HA 0.481 5.034 4.550 0.006 0.000 0.340 254 Y C 0.750 176.710 175.900 0.099 0.000 1.016 254 Y CA -0.612 57.520 58.100 0.052 0.000 1.196 254 Y CB 0.285 38.773 38.460 0.048 0.000 1.167 254 Y HN 0.672 nan 8.280 nan 0.000 0.509 255 I N 3.321 123.703 120.570 -0.314 0.000 3.994 255 I HA 0.676 4.849 4.170 0.006 0.000 0.323 255 I C 0.580 176.590 176.117 -0.177 0.000 1.501 255 I CA 0.113 61.347 61.300 -0.108 0.000 1.112 255 I CB 0.186 38.114 38.000 -0.120 0.000 1.254 255 I HN 0.850 nan 8.210 nan 0.000 0.495 256 G N 1.619 109.954 108.800 -0.776 0.000 2.508 256 G HA2 -0.283 3.680 3.960 0.006 0.000 0.220 256 G HA3 -0.283 3.680 3.960 0.006 0.000 0.220 256 G C 0.310 175.098 174.900 -0.187 0.000 1.287 256 G CA -0.027 44.815 45.100 -0.430 0.000 0.916 256 G HN 0.333 nan 8.290 nan 0.000 0.574 257 V N 0.976 120.895 119.914 0.009 0.000 2.380 257 V HA 0.067 4.191 4.120 0.006 0.000 0.251 257 V C 3.087 179.241 176.094 0.100 0.000 1.063 257 V CA 3.624 65.956 62.300 0.053 0.000 1.055 257 V CB -0.912 30.947 31.823 0.059 0.000 0.657 257 V HN 2.139 nan 8.190 nan 0.000 0.455 258 A N -0.643 122.301 122.820 0.208 0.000 2.235 258 A HA 0.393 4.716 4.320 0.006 0.000 0.208 258 A C 1.346 179.002 177.584 0.121 0.000 1.172 258 A CA 0.792 52.972 52.037 0.238 0.000 0.786 258 A CB -0.812 18.456 19.000 0.446 0.000 0.804 258 A HN 0.678 nan 8.150 nan 0.000 0.479 259 G N -0.699 108.118 108.800 0.029 0.000 2.525 259 G HA2 0.378 4.341 3.960 0.006 0.000 0.287 259 G HA3 0.378 4.341 3.960 0.006 0.000 0.287 259 G C -0.772 174.129 174.900 0.002 0.000 1.350 259 G CA -0.221 44.869 45.100 -0.017 0.000 1.039 259 G HN 0.249 nan 8.290 nan 0.000 0.513 260 D N -0.544 119.859 120.400 0.004 0.000 2.434 260 D HA 0.327 4.970 4.640 0.006 0.000 0.252 260 D C 1.463 177.779 176.300 0.028 0.000 1.185 260 D CA 0.601 54.615 54.000 0.023 0.000 0.886 260 D CB 1.067 41.884 40.800 0.028 0.000 1.148 260 D HN 0.382 nan 8.370 nan 0.000 0.483 261 A N 4.015 126.854 122.820 0.032 0.000 1.948 261 A HA -0.239 4.085 4.320 0.006 0.000 0.220 261 A C 1.970 179.582 177.584 0.047 0.000 1.177 261 A CA 1.658 53.717 52.037 0.037 0.000 0.636 261 A CB -0.527 18.492 19.000 0.033 0.000 0.815 261 A HN 0.811 nan 8.150 nan 0.000 0.449 262 E N -0.598 119.628 120.200 0.043 0.000 2.106 262 E HA -0.131 4.223 4.350 0.006 0.000 0.192 262 E C 1.802 178.439 176.600 0.062 0.000 0.984 262 E CA 0.969 57.396 56.400 0.045 0.000 0.806 262 E CB -0.072 29.649 29.700 0.035 0.000 0.750 262 E HN 0.540 nan 8.360 nan 0.000 0.458 263 I N 0.883 121.495 120.570 0.070 0.000 2.252 263 I HA -0.194 3.979 4.170 0.006 0.000 0.245 263 I C 2.304 178.531 176.117 0.183 0.000 1.102 263 I CA 1.233 62.596 61.300 0.105 0.000 1.385 263 I CB -1.376 36.681 38.000 0.096 0.000 1.064 263 I HN 0.153 nan 8.210 nan 0.000 0.414 264 T N 0.618 115.275 114.554 0.173 0.000 2.684 264 T HA -0.232 4.122 4.350 0.006 0.000 0.267 264 T C 2.094 176.929 174.700 0.226 0.000 1.036 264 T CA 1.570 63.828 62.100 0.263 0.000 1.148 264 T CB -0.265 68.661 68.868 0.097 0.000 0.863 264 T HN 0.269 nan 8.240 nan 0.000 0.436 265 R N 0.289 120.864 120.500 0.126 0.000 2.075 265 R HA -0.035 4.308 4.340 0.006 0.000 0.232 265 R C 2.428 178.769 176.300 0.070 0.000 1.126 265 R CA 1.070 57.222 56.100 0.086 0.000 0.963 265 R CB -0.485 29.851 30.300 0.059 0.000 0.858 265 R HN 0.285 nan 8.270 nan 0.000 0.435 266 L N 0.577 121.841 121.223 0.070 0.000 2.042 266 L HA -0.157 4.186 4.340 0.006 0.000 0.210 266 L C 1.974 178.859 176.870 0.026 0.000 1.076 266 L CA 1.619 56.486 54.840 0.046 0.000 0.749 266 L CB -0.337 41.750 42.059 0.047 0.000 0.893 266 L HN 0.022 nan 8.230 nan 0.000 0.432 267 V N -0.315 119.618 119.914 0.031 0.000 2.255 267 V HA -0.234 3.890 4.120 0.006 0.000 0.243 267 V C 2.429 178.476 176.094 -0.078 0.000 1.038 267 V CA 2.017 64.273 62.300 -0.072 0.000 1.008 267 V CB -0.651 31.024 31.823 -0.246 0.000 0.645 267 V HN 0.476 nan 8.190 nan 0.000 0.449 268 E N -0.083 120.109 120.200 -0.014 0.000 2.265 268 E HA -0.178 4.175 4.350 0.006 0.000 0.196 268 E C 1.740 178.339 176.600 -0.002 0.000 0.996 268 E CA 1.033 57.431 56.400 -0.004 0.000 0.832 268 E CB -0.029 29.712 29.700 0.070 0.000 0.756 268 E HN 0.679 nan 8.360 nan 0.000 0.491 269 E N 0.564 120.768 120.200 0.008 0.000 2.481 269 E HA 0.069 4.423 4.350 0.006 0.000 0.198 269 E C 0.161 176.760 176.600 -0.001 0.000 1.027 269 E CA -0.193 56.211 56.400 0.007 0.000 0.900 269 E CB 0.735 30.445 29.700 0.017 0.000 0.993 269 E HN -0.087 nan 8.360 nan 0.000 0.482 270 S N 2.445 118.139 115.700 -0.010 0.000 2.549 270 S HA -0.018 4.455 4.470 0.006 0.000 0.283 270 S C 0.514 175.106 174.600 -0.014 0.000 1.320 270 S CA -0.372 57.822 58.200 -0.010 0.000 1.058 270 S CB 0.527 63.718 63.200 -0.015 0.000 0.882 270 S HN 0.208 nan 8.310 nan 0.000 0.498 271 D N 2.507 122.902 120.400 -0.008 0.000 2.525 271 D HA 0.230 4.874 4.640 0.006 0.000 0.229 271 D C 0.394 176.685 176.300 -0.015 0.000 1.202 271 D CA -0.218 53.775 54.000 -0.011 0.000 0.828 271 D CB -0.157 40.641 40.800 -0.004 0.000 1.008 271 D HN 0.557 nan 8.370 nan 0.000 0.493 272 G N 0.790 109.582 108.800 -0.013 0.000 4.836 272 G HA2 0.237 4.201 3.960 0.006 0.000 0.222 272 G HA3 0.237 4.201 3.960 0.006 0.000 0.222 272 G C -1.078 173.831 174.900 0.016 0.000 1.332 272 G CA -0.643 44.450 45.100 -0.013 0.000 0.606 272 G HN 0.164 nan 8.290 nan 0.000 0.357 273 L N 1.893 123.121 121.223 0.007 0.000 2.363 273 L HA 0.561 4.905 4.340 0.006 0.000 0.286 273 L C -0.670 176.271 176.870 0.119 0.000 1.106 273 L CA -1.230 53.628 54.840 0.030 0.000 0.859 273 L CB -0.133 41.906 42.059 -0.034 0.000 1.223 273 L HN 0.191 nan 8.230 nan 0.000 0.446 274 F N 6.715 126.645 119.950 -0.033 0.000 2.377 274 F HA 0.313 4.844 4.527 0.006 0.000 0.360 274 F C -0.377 175.422 175.800 -0.002 0.000 1.147 274 F CA -1.295 56.698 58.000 -0.011 0.000 1.170 274 F CB 0.183 39.179 39.000 -0.006 0.000 1.339 274 F HN 0.275 nan 8.300 nan 0.000 0.552 275 L N 7.413 128.814 121.223 0.297 0.000 2.375 275 L HA 0.132 4.476 4.340 0.006 0.000 0.276 275 L C -0.161 176.771 176.870 0.104 0.000 1.162 275 L CA -0.586 54.329 54.840 0.124 0.000 0.991 275 L CB 0.280 42.417 42.059 0.129 0.000 1.315 275 L HN 0.371 nan 8.230 nan 0.000 0.431 276 L N 4.155 125.287 121.223 -0.151 0.000 2.401 276 L HA 0.371 4.715 4.340 0.006 0.000 0.283 276 L C 1.043 177.904 176.870 -0.016 0.000 1.151 276 L CA 0.494 55.203 54.840 -0.219 0.000 0.942 276 L CB 0.007 41.759 42.059 -0.512 0.000 1.283 276 L HN 0.726 nan 8.230 nan 0.000 0.442 277 G N 3.174 112.050 108.800 0.127 0.000 2.149 277 G HA2 -0.136 3.828 3.960 0.006 0.000 0.235 277 G HA3 -0.136 3.828 3.960 0.006 0.000 0.235 277 G C 0.272 175.353 174.900 0.301 0.000 1.018 277 G CA 0.005 45.262 45.100 0.262 0.000 0.728 277 G HN 1.070 nan 8.290 nan 0.000 0.508 278 A N -0.344 122.573 122.820 0.162 0.000 2.310 278 A HA 0.793 5.116 4.320 0.006 0.000 0.299 278 A C 0.466 177.731 177.584 -0.531 0.000 1.147 278 A CA -0.484 51.529 52.037 -0.041 0.000 0.818 278 A CB 0.643 19.619 19.000 -0.041 0.000 1.096 278 A HN 0.726 nan 8.150 nan 0.000 0.495 279 I N 2.261 122.582 120.570 -0.415 0.000 2.416 279 I HA 0.173 4.347 4.170 0.006 0.000 0.288 279 I C -0.381 175.443 176.117 -0.487 0.000 1.051 279 I CA 0.214 61.165 61.300 -0.582 0.000 1.375 279 I CB 0.762 38.683 38.000 -0.132 0.000 1.407 279 I HN 0.476 nan 8.210 nan 0.000 0.516 280 L N 6.898 127.841 121.223 -0.466 0.000 2.307 280 L HA 0.616 4.959 4.340 0.006 0.000 0.284 280 L C -0.141 176.574 176.870 -0.258 0.000 1.023 280 L CA -0.133 54.482 54.840 -0.376 0.000 0.810 280 L CB 1.626 43.422 42.059 -0.437 0.000 1.231 280 L HN 0.764 nan 8.230 nan 0.000 0.423 281 S N 0.082 115.640 115.700 -0.238 0.000 2.611 281 S HA 0.213 4.687 4.470 0.006 0.000 0.270 281 S C -0.798 173.723 174.600 -0.133 0.000 1.131 281 S CA -0.939 57.164 58.200 -0.161 0.000 0.826 281 S CB 1.380 64.488 63.200 -0.154 0.000 1.095 281 S HN 0.555 nan 8.310 nan 0.000 0.461 282 D N 1.596 121.944 120.400 -0.086 0.000 2.323 282 D HA 0.166 4.809 4.640 0.006 0.000 0.239 282 D C 0.387 176.646 176.300 -0.068 0.000 1.129 282 D CA 0.432 54.394 54.000 -0.063 0.000 0.865 282 D CB -0.184 40.587 40.800 -0.047 0.000 0.913 282 D HN 0.529 nan 8.370 nan 0.000 0.517 283 T N 1.932 116.427 114.554 -0.100 0.000 2.856 283 T HA -0.030 4.323 4.350 0.006 0.000 0.306 283 T C 1.776 176.403 174.700 -0.122 0.000 1.062 283 T CA -0.571 61.464 62.100 -0.109 0.000 1.083 283 T CB 0.805 69.604 68.868 -0.114 0.000 0.984 283 T HN 0.225 nan 8.240 nan 0.000 0.542 284 N N 2.297 120.868 118.700 -0.215 0.000 2.023 284 N HA -0.224 4.520 4.740 0.006 0.000 0.200 284 N C 1.122 176.427 175.510 -0.341 0.000 1.048 284 N CA 2.043 54.861 53.050 -0.387 0.000 0.872 284 N CB -0.637 37.306 38.487 -0.907 0.000 1.070 284 N HN 0.552 nan 8.380 nan 0.000 0.441 285 F N 0.963 120.836 119.950 -0.128 0.000 2.732 285 F HA 0.527 5.057 4.527 0.005 0.000 0.303 285 F C 1.428 177.317 175.800 0.148 0.000 1.110 285 F CA -0.855 57.087 58.000 -0.096 0.000 1.355 285 F CB -0.598 38.147 39.000 -0.426 0.000 1.081 285 F HN 0.195 nan 8.300 nan 0.000 0.565 286 A N 0.124 123.028 122.820 0.139 0.000 2.257 286 A HA 0.612 4.936 4.320 0.006 0.000 0.289 286 A C -0.139 177.484 177.584 0.066 0.000 1.095 286 A CA -0.491 51.474 52.037 -0.119 0.000 0.836 286 A CB 0.442 19.030 19.000 -0.686 0.000 1.111 286 A HN -0.071 nan 8.150 nan 0.000 0.497 287 V N 1.458 121.362 119.914 -0.017 0.000 2.488 287 V HA 0.362 4.485 4.120 0.006 0.000 0.277 287 V C 0.768 176.794 176.094 -0.113 0.000 1.046 287 V CA 0.164 62.444 62.300 -0.033 0.000 0.986 287 V CB 0.996 32.699 31.823 -0.199 0.000 0.989 287 V HN 0.854 nan 8.190 nan 0.000 0.475 288 S N 3.884 119.554 115.700 -0.051 0.000 2.475 288 S HA 0.475 4.948 4.470 0.006 0.000 0.298 288 S C 1.100 175.644 174.600 -0.093 0.000 1.119 288 S CA 0.211 58.366 58.200 -0.075 0.000 1.085 288 S CB 1.886 65.073 63.200 -0.022 0.000 1.028 288 S HN 0.913 nan 8.310 nan 0.000 0.489 289 Q N 3.869 123.603 119.800 -0.110 0.000 2.234 289 Q HA -0.103 4.240 4.340 0.006 0.000 0.206 289 Q C 1.857 177.821 176.000 -0.059 0.000 0.980 289 Q CA 1.990 57.731 55.803 -0.103 0.000 0.869 289 Q CB -0.780 27.904 28.738 -0.090 0.000 0.912 289 Q HN 0.920 nan 8.270 nan 0.000 0.436 290 R N -0.341 120.135 120.500 -0.040 0.000 2.235 290 R HA 0.019 4.362 4.340 0.006 0.000 0.213 290 R C 1.852 178.146 176.300 -0.010 0.000 1.059 290 R CA 1.298 57.386 56.100 -0.019 0.000 0.997 290 R CB 0.123 30.414 30.300 -0.015 0.000 0.884 290 R HN 0.434 nan 8.270 nan 0.000 0.462 291 K N 0.400 120.794 120.400 -0.010 0.000 2.358 291 K HA 0.191 4.515 4.320 0.006 0.000 0.197 291 K C 0.580 177.173 176.600 -0.011 0.000 1.025 291 K CA 0.077 56.371 56.287 0.012 0.000 1.104 291 K CB 0.583 33.122 32.500 0.065 0.000 0.855 291 K HN 0.188 nan 8.250 nan 0.000 0.531 292 I N -2.925 117.617 120.570 -0.047 0.000 3.067 292 I HA 0.399 4.572 4.170 0.006 0.000 0.312 292 I C -0.788 175.296 176.117 -0.055 0.000 1.073 292 I CA -1.051 60.208 61.300 -0.067 0.000 1.016 292 I CB 1.573 39.502 38.000 -0.118 0.000 1.227 292 I HN -0.268 nan 8.210 nan 0.000 0.456 293 D N 3.021 123.388 120.400 -0.055 0.000 2.402 293 D HA 0.245 4.888 4.640 0.006 0.000 0.235 293 D C 0.863 177.114 176.300 -0.081 0.000 1.226 293 D CA -0.001 53.972 54.000 -0.044 0.000 0.918 293 D CB 0.789 41.571 40.800 -0.031 0.000 1.043 293 D HN 0.615 nan 8.370 nan 0.000 0.506 294 L N 3.173 124.341 121.223 -0.092 0.000 2.362 294 L HA -0.062 4.281 4.340 0.006 0.000 0.219 294 L C 2.175 178.841 176.870 -0.340 0.000 1.134 294 L CA 0.654 55.367 54.840 -0.212 0.000 0.807 294 L CB -0.023 41.918 42.059 -0.197 0.000 0.927 294 L HN 0.242 nan 8.230 nan 0.000 0.447 295 R N -0.454 119.956 120.500 -0.150 0.000 2.275 295 R HA -0.010 4.333 4.340 0.006 0.000 0.199 295 R C 1.302 177.548 176.300 -0.090 0.000 0.989 295 R CA 0.450 56.500 56.100 -0.084 0.000 1.016 295 R CB 0.202 30.550 30.300 0.080 0.000 0.918 295 R HN 0.128 nan 8.270 nan 0.000 0.473 296 K N -0.269 120.072 120.400 -0.099 0.000 2.481 296 K HA 0.076 4.400 4.320 0.006 0.000 0.210 296 K C 0.266 176.813 176.600 -0.087 0.000 1.161 296 K CA 0.284 56.526 56.287 -0.075 0.000 1.023 296 K CB 1.245 33.719 32.500 -0.042 0.000 0.971 296 K HN 0.124 nan 8.250 nan 0.000 0.577 297 T N -0.186 114.299 114.554 -0.114 0.000 2.907 297 T HA 0.524 4.877 4.350 0.006 0.000 0.298 297 T C 0.530 175.186 174.700 -0.072 0.000 1.017 297 T CA -0.341 61.706 62.100 -0.088 0.000 1.118 297 T CB 1.013 69.811 68.868 -0.117 0.000 0.948 297 T HN -0.029 nan 8.240 nan 0.000 0.531 298 I N 2.853 123.423 120.570 -0.000 0.000 2.390 298 I HA 0.195 4.368 4.170 0.006 0.000 0.283 298 I C -0.432 175.813 176.117 0.214 0.000 1.016 298 I CA -0.847 60.464 61.300 0.018 0.000 1.151 298 I CB 0.945 38.844 38.000 -0.168 0.000 1.293 298 I HN 0.723 nan 8.210 nan 0.000 0.458 299 H N 6.486 125.592 119.070 0.060 0.000 2.685 299 H HA 0.601 5.160 4.556 0.006 0.000 0.286 299 H C -0.550 174.885 175.328 0.178 0.000 1.102 299 H CA -0.768 55.340 56.048 0.100 0.000 1.254 299 H CB 1.054 30.834 29.762 0.029 0.000 1.397 299 H HN 0.627 nan 8.280 nan 0.000 0.473 300 A N 5.890 128.822 122.820 0.185 0.000 2.280 300 A HA 0.544 4.867 4.320 0.006 0.000 0.320 300 A C -1.360 176.279 177.584 0.091 0.000 1.366 300 A CA -0.464 51.652 52.037 0.132 0.000 0.938 300 A CB -0.620 18.532 19.000 0.254 0.000 1.157 300 A HN 0.584 nan 8.150 nan 0.000 0.536 301 F N 1.593 121.394 119.950 -0.248 0.000 2.708 301 F HA 0.389 4.919 4.527 0.006 0.000 0.309 301 F C -0.764 174.964 175.800 -0.121 0.000 1.120 301 F CA -0.593 57.277 58.000 -0.217 0.000 0.978 301 F CB 1.431 40.139 39.000 -0.486 0.000 1.283 301 F HN 0.607 nan 8.300 nan 0.000 0.439 302 D N 4.208 124.155 120.400 -0.754 0.000 2.708 302 D HA -0.232 4.412 4.640 0.006 0.000 0.236 302 D C 0.370 176.563 176.300 -0.177 0.000 1.146 302 D CA 1.577 55.273 54.000 -0.507 0.000 0.662 302 D CB -0.510 40.032 40.800 -0.429 0.000 1.059 302 D HN 0.821 nan 8.370 nan 0.000 0.428 303 R N -3.488 116.931 120.500 -0.134 0.000 3.770 303 R HA -0.159 4.184 4.340 0.006 0.000 0.305 303 R C 0.150 176.456 176.300 0.010 0.000 1.184 303 R CA 1.307 57.372 56.100 -0.059 0.000 0.823 303 R CB -1.916 28.366 30.300 -0.030 0.000 1.285 303 R HN 0.435 nan 8.270 nan 0.000 0.499 304 A N -0.469 122.359 122.820 0.013 0.000 2.566 304 A HA 0.810 5.133 4.320 0.006 0.000 0.292 304 A C -0.846 176.781 177.584 0.071 0.000 1.112 304 A CA -0.544 51.531 52.037 0.064 0.000 0.707 304 A CB 2.204 21.245 19.000 0.068 0.000 1.302 304 A HN 0.015 nan 8.150 nan 0.000 0.409 305 V N 0.968 120.961 119.914 0.131 0.000 2.569 305 V HA 0.593 4.716 4.120 0.006 0.000 0.301 305 V C -0.515 175.683 176.094 0.172 0.000 1.044 305 V CA -0.320 62.066 62.300 0.143 0.000 0.874 305 V CB 1.768 33.676 31.823 0.141 0.000 1.002 305 V HN 0.928 nan 8.190 nan 0.000 0.424 306 T N 7.039 121.661 114.554 0.113 0.000 2.807 306 T HA 0.857 5.210 4.350 0.006 0.000 0.279 306 T C -0.988 173.684 174.700 -0.046 0.000 0.993 306 T CA -0.445 61.684 62.100 0.048 0.000 0.970 306 T CB 1.303 70.216 68.868 0.076 0.000 0.950 306 T HN 0.537 nan 8.240 nan 0.000 0.441 307 L N -0.325 120.760 121.223 -0.229 0.000 2.556 307 L HA 0.832 5.175 4.340 0.006 0.000 0.257 307 L C 0.544 177.046 176.870 -0.613 0.000 0.955 307 L CA -1.233 53.416 54.840 -0.319 0.000 0.850 307 L CB 0.189 42.127 42.059 -0.201 0.000 1.398 307 L HN 0.743 nan 8.230 nan 0.000 0.412 308 G N 0.617 109.175 108.800 -0.404 0.000 2.283 308 G HA2 -0.306 3.658 3.960 0.006 0.000 0.280 308 G HA3 -0.306 3.658 3.960 0.006 0.000 0.280 308 G C 0.326 175.228 174.900 0.003 0.000 1.029 308 G CA 1.069 46.056 45.100 -0.189 0.000 0.840 308 G HN 1.430 nan 8.290 nan 0.000 0.505 309 Y N -2.608 117.624 120.300 -0.113 0.000 4.851 309 Y HA -0.273 4.281 4.550 0.006 0.000 0.235 309 Y C 1.286 177.200 175.900 0.024 0.000 0.998 309 Y CA 1.663 59.751 58.100 -0.020 0.000 1.980 309 Y CB -2.489 35.990 38.460 0.032 0.000 1.561 309 Y HN 1.034 nan 8.280 nan 0.000 0.585 310 H N -1.775 117.341 119.070 0.077 0.000 2.621 310 H HA 0.835 5.395 4.556 0.006 0.000 0.360 310 H C -0.462 174.846 175.328 -0.033 0.000 1.163 310 H CA -0.412 55.637 56.048 0.002 0.000 1.194 310 H CB 2.177 31.904 29.762 -0.059 0.000 1.649 310 H HN 0.002 nan 8.280 nan 0.000 0.532 311 T N 2.068 116.651 114.554 0.050 0.000 2.861 311 T HA 0.271 4.624 4.350 0.006 0.000 0.287 311 T C -0.934 173.728 174.700 -0.064 0.000 1.003 311 T CA -0.583 61.531 62.100 0.023 0.000 0.977 311 T CB 0.730 69.635 68.868 0.060 0.000 0.996 311 T HN 0.420 nan 8.240 nan 0.000 0.448 312 Y N 1.805 122.155 120.300 0.084 0.000 2.367 312 Y HA 0.565 5.118 4.550 0.005 0.000 0.342 312 Y C 0.699 176.631 175.900 0.053 0.000 0.979 312 Y CA -0.721 57.420 58.100 0.068 0.000 1.161 312 Y CB 0.760 39.256 38.460 0.059 0.000 1.155 312 Y HN 0.813 nan 8.280 nan 0.000 0.503 313 A N 2.158 125.074 122.820 0.161 0.000 2.286 313 A HA 0.376 4.699 4.320 0.006 0.000 0.286 313 A C 0.241 177.897 177.584 0.119 0.000 1.097 313 A CA -0.470 51.637 52.037 0.118 0.000 0.821 313 A CB 0.098 19.146 19.000 0.080 0.000 1.076 313 A HN 0.898 nan 8.150 nan 0.000 0.490 314 D N -0.575 119.888 120.400 0.106 0.000 2.697 314 D HA -0.129 4.514 4.640 0.006 0.000 0.238 314 D C -0.651 175.700 176.300 0.083 0.000 1.152 314 D CA 0.870 54.936 54.000 0.109 0.000 0.666 314 D CB -0.905 39.959 40.800 0.106 0.000 1.037 314 D HN 0.307 nan 8.370 nan 0.000 0.423 315 I N 1.383 121.992 120.570 0.065 0.000 2.428 315 I HA 0.213 4.386 4.170 0.006 0.000 0.279 315 I C -1.886 174.223 176.117 -0.014 0.000 1.040 315 I CA -1.988 59.331 61.300 0.032 0.000 1.171 315 I CB 1.072 39.100 38.000 0.046 0.000 1.312 315 I HN -0.224 nan 8.210 nan 0.000 0.470 316 P HA 0.061 nan 4.420 nan 0.000 0.271 316 P C 1.011 178.239 177.300 -0.121 0.000 1.218 316 P CA -0.452 62.561 63.100 -0.146 0.000 0.780 316 P CB 1.806 33.391 31.700 -0.192 0.000 0.901 317 L N 3.997 125.131 121.223 -0.149 0.000 2.043 317 L HA -0.223 4.121 4.340 0.006 0.000 0.212 317 L C 2.537 179.370 176.870 -0.063 0.000 1.075 317 L CA 2.564 57.369 54.840 -0.058 0.000 0.752 317 L CB -1.564 40.500 42.059 0.009 0.000 0.891 317 L HN 0.506 nan 8.230 nan 0.000 0.432 318 A N -0.852 121.893 122.820 -0.126 0.000 1.908 318 A HA -0.134 4.189 4.320 0.006 0.000 0.218 318 A C 2.349 179.896 177.584 -0.061 0.000 1.181 318 A CA 1.719 53.702 52.037 -0.090 0.000 0.627 318 A CB -1.533 17.390 19.000 -0.129 0.000 0.818 318 A HN 0.524 nan 8.150 nan 0.000 0.445 319 G N -0.408 108.350 108.800 -0.070 0.000 2.408 319 G HA2 -0.099 3.865 3.960 0.006 0.000 0.217 319 G HA3 -0.099 3.865 3.960 0.006 0.000 0.217 319 G C 1.475 176.361 174.900 -0.024 0.000 1.150 319 G CA 1.150 46.224 45.100 -0.044 0.000 0.776 319 G HN 0.497 nan 8.290 nan 0.000 0.542 320 L N 0.902 122.117 121.223 -0.014 0.000 2.017 320 L HA 0.011 4.354 4.340 0.006 0.000 0.208 320 L C 2.888 179.779 176.870 0.035 0.000 1.073 320 L CA 1.448 56.297 54.840 0.014 0.000 0.745 320 L CB -0.617 41.474 42.059 0.053 0.000 0.894 320 L HN 0.075 nan 8.230 nan 0.000 0.432 321 V N -0.003 119.927 119.914 0.028 0.000 2.295 321 V HA -0.297 3.827 4.120 0.006 0.000 0.246 321 V C 2.325 178.428 176.094 0.015 0.000 1.049 321 V CA 2.024 64.341 62.300 0.027 0.000 1.024 321 V CB -0.813 31.011 31.823 0.002 0.000 0.648 321 V HN 0.452 nan 8.190 nan 0.000 0.447 322 D N 0.267 120.667 120.400 -0.001 0.000 2.117 322 D HA -0.114 4.529 4.640 0.006 0.000 0.197 322 D C 2.219 178.518 176.300 -0.002 0.000 0.987 322 D CA 1.633 55.630 54.000 -0.004 0.000 0.829 322 D CB -0.347 40.445 40.800 -0.013 0.000 0.961 322 D HN 0.432 nan 8.370 nan 0.000 0.460 323 A N 0.422 123.239 122.820 -0.004 0.000 1.933 323 A HA -0.112 4.212 4.320 0.006 0.000 0.218 323 A C 2.367 179.949 177.584 -0.003 0.000 1.175 323 A CA 0.881 52.912 52.037 -0.009 0.000 0.628 323 A CB -0.673 18.314 19.000 -0.022 0.000 0.814 323 A HN 0.221 nan 8.150 nan 0.000 0.444 324 L N -0.798 120.433 121.223 0.014 0.000 2.109 324 L HA -0.105 4.239 4.340 0.006 0.000 0.207 324 L C 2.471 179.355 176.870 0.022 0.000 1.086 324 L CA 0.704 55.560 54.840 0.026 0.000 0.760 324 L CB -0.440 41.664 42.059 0.075 0.000 0.910 324 L HN 0.362 nan 8.230 nan 0.000 0.437 325 L N -0.410 120.824 121.223 0.019 0.000 2.083 325 L HA -0.206 4.138 4.340 0.006 0.000 0.209 325 L C 2.388 179.262 176.870 0.006 0.000 1.083 325 L CA 1.257 56.104 54.840 0.013 0.000 0.752 325 L CB -0.437 41.627 42.059 0.008 0.000 0.899 325 L HN 0.298 nan 8.230 nan 0.000 0.433 326 E N -0.038 120.163 120.200 0.002 0.000 2.268 326 E HA -0.171 4.182 4.350 0.006 0.000 0.195 326 E C 1.743 178.342 176.600 -0.001 0.000 0.995 326 E CA 0.686 57.085 56.400 -0.001 0.000 0.836 326 E CB 0.097 29.795 29.700 -0.004 0.000 0.763 326 E HN 0.451 nan 8.360 nan 0.000 0.491 327 R N -0.130 120.370 120.500 0.000 0.000 2.393 327 R HA 0.259 4.602 4.340 0.006 0.000 0.244 327 R C -0.063 176.239 176.300 0.003 0.000 0.920 327 R CA -0.053 56.046 56.100 -0.001 0.000 1.076 327 R CB 0.574 30.869 30.300 -0.007 0.000 1.119 327 R HN -0.014 nan 8.270 nan 0.000 0.524 328 L N 2.203 123.430 121.223 0.006 0.000 2.365 328 L HA 0.499 4.842 4.340 0.006 0.000 0.273 328 L C -2.233 174.642 176.870 0.007 0.000 1.000 328 L CA -2.355 52.490 54.840 0.009 0.000 0.819 328 L CB 2.182 44.251 42.059 0.016 0.000 1.284 328 L HN -0.150 nan 8.230 nan 0.000 0.418 329 P HA 0.319 nan 4.420 nan 0.000 0.277 329 P C -2.715 174.588 177.300 0.006 0.000 1.240 329 P CA -1.510 61.593 63.100 0.005 0.000 0.798 329 P CB 0.295 31.998 31.700 0.005 0.000 0.979 330 P HA 0.194 nan 4.420 nan 0.000 0.271 330 P C -0.232 177.070 177.300 0.004 0.000 1.244 330 P CA 0.164 63.266 63.100 0.004 0.000 0.793 330 P CB 0.396 32.098 31.700 0.003 0.000 0.984 331 S N -0.374 115.329 115.700 0.004 0.000 2.579 331 S HA 0.350 4.824 4.470 0.006 0.000 0.272 331 S C -0.859 173.743 174.600 0.003 0.000 1.141 331 S CA -0.611 57.592 58.200 0.004 0.000 0.843 331 S CB 0.883 64.087 63.200 0.006 0.000 1.122 331 S HN 0.295 nan 8.310 nan 0.000 0.468 332 D N 1.228 121.630 120.400 0.003 0.000 2.479 332 D HA 0.144 4.787 4.640 0.006 0.000 0.218 332 D C 0.444 176.745 176.300 0.003 0.000 1.177 332 D CA -0.206 53.795 54.000 0.002 0.000 0.830 332 D CB 0.304 41.105 40.800 0.002 0.000 1.014 332 D HN 0.408 nan 8.370 nan 0.000 0.503 333 R N 1.049 121.551 120.500 0.004 0.000 2.623 333 R HA 0.207 4.550 4.340 0.006 0.000 0.271 333 R C -0.534 175.768 176.300 0.003 0.000 1.043 333 R CA 0.801 56.904 56.100 0.004 0.000 1.083 333 R CB 0.447 30.750 30.300 0.006 0.000 0.974 333 R HN -0.172 nan 8.270 nan 0.000 0.436 334 T N 1.322 115.878 114.554 0.003 0.000 2.868 334 T HA 0.234 4.588 4.350 0.006 0.000 0.306 334 T C -0.175 174.527 174.700 0.004 0.000 1.224 334 T CA -0.636 61.466 62.100 0.003 0.000 1.012 334 T CB 1.921 70.790 68.868 0.002 0.000 1.221 334 T HN 0.704 nan 8.240 nan 0.000 0.499 335 T N -1.868 112.688 114.554 0.003 0.000 3.275 335 T HA 0.207 4.560 4.350 0.006 0.000 0.298 335 T C 0.874 175.577 174.700 0.005 0.000 0.988 335 T CA -0.541 61.561 62.100 0.004 0.000 0.936 335 T CB -0.058 68.813 68.868 0.005 0.000 1.159 335 T HN 0.434 nan 8.240 nan 0.000 0.519 336 R N 1.037 121.539 120.500 0.004 0.000 2.343 336 R HA 0.215 4.558 4.340 0.006 0.000 0.202 336 R C 1.999 178.303 176.300 0.006 0.000 1.023 336 R CA 0.513 56.616 56.100 0.005 0.000 1.084 336 R CB -0.236 30.067 30.300 0.004 0.000 0.956 336 R HN 0.507 nan 8.270 nan 0.000 0.478 337 G N 1.471 110.275 108.800 0.006 0.000 2.939 337 G HA2 -0.110 3.854 3.960 0.006 0.000 0.210 337 G HA3 -0.110 3.854 3.960 0.006 0.000 0.210 337 G C 0.319 175.223 174.900 0.007 0.000 1.160 337 G CA -0.349 44.755 45.100 0.006 0.000 0.770 337 G HN 0.287 nan 8.290 nan 0.000 0.543 338 K N -0.059 120.346 120.400 0.007 0.000 2.187 338 K HA 0.598 4.921 4.320 0.006 0.000 0.247 338 K C 0.073 176.679 176.600 0.009 0.000 1.019 338 K CA 0.021 56.313 56.287 0.008 0.000 0.893 338 K CB 0.202 32.707 32.500 0.009 0.000 1.025 338 K HN 0.033 nan 8.250 nan 0.000 0.500 339 E N 1.786 121.991 120.200 0.008 0.000 2.313 339 E HA 0.208 4.561 4.350 0.006 0.000 0.276 339 E C -1.855 174.752 176.600 0.013 0.000 1.031 339 E CA -2.039 54.365 56.400 0.006 0.000 0.857 339 E CB -0.581 29.117 29.700 -0.002 0.000 1.040 339 E HN 0.662 nan 8.360 nan 0.000 0.408 340 P HA 0.119 nan 4.420 nan 0.000 0.274 340 P C -0.433 176.882 177.300 0.026 0.000 1.260 340 P CA -0.285 62.840 63.100 0.041 0.000 0.793 340 P CB 0.379 32.113 31.700 0.058 0.000 1.048 341 H N -0.196 118.824 119.070 -0.083 0.000 2.732 341 H HA 0.399 4.959 4.556 0.006 0.000 0.351 341 H C -0.409 174.759 175.328 -0.267 0.000 1.090 341 H CA -0.112 55.799 56.048 -0.228 0.000 1.431 341 H CB 0.246 29.765 29.762 -0.406 0.000 1.447 341 H HN 0.484 nan 8.280 nan 0.000 0.582 342 A N 5.831 128.093 122.820 -0.930 0.000 2.294 342 A HA 0.314 4.638 4.320 0.006 0.000 0.316 342 A C -1.172 175.964 177.584 -0.746 0.000 1.359 342 A CA -0.475 51.202 52.037 -0.600 0.000 0.956 342 A CB -0.559 18.233 19.000 -0.347 0.000 1.155 342 A HN 0.668 nan 8.150 nan 0.000 0.544 343 Y N 3.080 123.234 120.300 -0.243 0.000 2.320 343 Y HA 0.418 4.972 4.550 0.006 0.000 0.324 343 Y C -1.603 174.267 175.900 -0.050 0.000 1.190 343 Y CA -2.143 55.907 58.100 -0.083 0.000 1.215 343 Y CB 0.829 39.302 38.460 0.022 0.000 1.221 343 Y HN 0.520 nan 8.280 nan 0.000 0.486 344 P HA 0.090 nan 4.420 nan 0.000 0.271 344 P C -0.547 176.803 177.300 0.083 0.000 1.233 344 P CA 0.004 63.157 63.100 0.088 0.000 0.764 344 P CB 0.872 32.627 31.700 0.091 0.000 0.825 345 T N -1.881 112.703 114.554 0.050 0.000 2.742 345 T HA 0.672 5.025 4.350 0.006 0.000 0.282 345 T C 0.406 175.118 174.700 0.019 0.000 1.025 345 T CA -0.371 61.749 62.100 0.034 0.000 1.020 345 T CB 0.996 69.882 68.868 0.030 0.000 1.317 345 T HN 0.547 nan 8.240 nan 0.000 0.538 346 G N 0.554 109.360 108.800 0.009 0.000 2.401 346 G HA2 -0.046 3.918 3.960 0.006 0.000 0.283 346 G HA3 -0.046 3.918 3.960 0.006 0.000 0.283 346 G C -0.362 174.540 174.900 0.004 0.000 1.117 346 G CA -0.131 44.971 45.100 0.004 0.000 1.051 346 G HN 1.178 nan 8.290 nan 0.000 0.510 347 L N 0.086 121.310 121.223 0.002 0.000 2.455 347 L HA 0.465 4.809 4.340 0.006 0.000 0.272 347 L C 0.754 177.623 176.870 -0.002 0.000 1.174 347 L CA 0.262 55.102 54.840 -0.000 0.000 0.869 347 L CB 0.612 42.670 42.059 -0.002 0.000 1.130 347 L HN 0.429 nan 8.230 nan 0.000 0.474 348 Q N 5.277 125.075 119.800 -0.003 0.000 2.490 348 Q HA 0.355 4.699 4.340 0.006 0.000 0.226 348 Q C 0.129 176.126 176.000 -0.005 0.000 1.132 348 Q CA -0.182 55.619 55.803 -0.004 0.000 0.928 348 Q CB 0.816 29.553 28.738 -0.003 0.000 1.299 348 Q HN 0.857 nan 8.270 nan 0.000 0.528 349 A N 3.811 126.628 122.820 -0.005 0.000 3.076 349 A HA 0.063 4.386 4.320 0.006 0.000 0.269 349 A C -0.224 177.357 177.584 -0.005 0.000 1.916 349 A CA -0.092 51.942 52.037 -0.005 0.000 1.492 349 A CB -0.708 18.289 19.000 -0.004 0.000 1.000 349 A HN 0.690 nan 8.150 nan 0.000 0.615 350 D N -0.989 119.407 120.400 -0.006 0.000 2.712 350 D HA 0.497 5.140 4.640 0.006 0.000 0.252 350 D C 1.053 177.349 176.300 -0.006 0.000 1.123 350 D CA 0.068 54.065 54.000 -0.005 0.000 1.109 350 D CB 0.119 40.916 40.800 -0.005 0.000 1.313 350 D HN -0.024 nan 8.370 nan 0.000 0.629 351 G N -1.168 107.628 108.800 -0.006 0.000 3.181 351 G HA2 0.047 4.011 3.960 0.006 0.000 0.219 351 G HA3 0.047 4.011 3.960 0.006 0.000 0.219 351 G C 0.054 174.950 174.900 -0.007 0.000 1.182 351 G CA -0.157 44.940 45.100 -0.006 0.000 0.791 351 G HN 0.220 nan 8.290 nan 0.000 0.537 352 E N 1.478 121.673 120.200 -0.008 0.000 2.343 352 E HA 0.213 4.567 4.350 0.006 0.000 0.269 352 E C -2.104 174.489 176.600 -0.013 0.000 1.047 352 E CA -2.162 54.233 56.400 -0.009 0.000 0.874 352 E CB 1.220 30.915 29.700 -0.008 0.000 1.033 352 E HN 0.107 nan 8.360 nan 0.000 0.409 353 P HA 0.076 nan 4.420 nan 0.000 0.271 353 P C 0.034 177.318 177.300 -0.026 0.000 1.233 353 P CA 0.110 63.199 63.100 -0.018 0.000 0.789 353 P CB 0.629 32.320 31.700 -0.014 0.000 0.951 354 I N 0.303 120.850 120.570 -0.038 0.000 2.396 354 I HA 0.449 4.622 4.170 0.006 0.000 0.292 354 I C 0.717 176.797 176.117 -0.061 0.000 0.999 354 I CA -0.502 60.763 61.300 -0.059 0.000 1.310 354 I CB 1.118 39.064 38.000 -0.090 0.000 1.404 354 I HN 0.348 nan 8.210 nan 0.000 0.496 355 A N 7.028 129.812 122.820 -0.060 0.000 2.380 355 A HA 0.679 5.002 4.320 0.006 0.000 0.315 355 A C -2.181 175.365 177.584 -0.062 0.000 1.101 355 A CA -1.688 50.324 52.037 -0.041 0.000 0.771 355 A CB 1.259 20.252 19.000 -0.011 0.000 1.287 355 A HN 0.470 nan 8.150 nan 0.000 0.436 356 P HA -0.203 nan 4.420 nan 0.000 0.216 356 P C 1.556 178.880 177.300 0.041 0.000 1.157 356 P CA 1.630 64.739 63.100 0.015 0.000 0.880 356 P CB -0.017 31.790 31.700 0.178 0.000 0.791 357 M N -1.023 118.610 119.600 0.055 0.000 2.279 357 M HA -0.132 4.352 4.480 0.006 0.000 0.264 357 M C 1.364 177.683 176.300 0.031 0.000 1.062 357 M CA 1.495 56.831 55.300 0.061 0.000 1.099 357 M CB -1.622 31.013 32.600 0.058 0.000 1.394 357 M HN 0.019 nan 8.290 nan 0.000 0.426 358 D N 0.346 120.743 120.400 -0.004 0.000 2.144 358 D HA -0.057 4.586 4.640 0.006 0.000 0.200 358 D C 2.146 178.431 176.300 -0.025 0.000 0.978 358 D CA 1.069 55.059 54.000 -0.017 0.000 0.833 358 D CB -0.001 40.777 40.800 -0.036 0.000 0.961 358 D HN 0.390 nan 8.370 nan 0.000 0.470 359 I N 1.305 121.839 120.570 -0.059 0.000 2.315 359 I HA -0.219 3.955 4.170 0.006 0.000 0.248 359 I C 2.576 178.712 176.117 0.031 0.000 1.117 359 I CA 0.757 62.020 61.300 -0.063 0.000 1.404 359 I CB -0.232 37.638 38.000 -0.216 0.000 1.071 359 I HN -0.094 nan 8.210 nan 0.000 0.419 360 A N 1.193 124.053 122.820 0.067 0.000 1.877 360 A HA -0.194 4.130 4.320 0.006 0.000 0.216 360 A C 2.407 180.027 177.584 0.060 0.000 1.186 360 A CA 1.431 53.523 52.037 0.092 0.000 0.620 360 A CB -0.558 18.513 19.000 0.118 0.000 0.822 360 A HN 0.308 nan 8.150 nan 0.000 0.443 361 R N -0.435 120.092 120.500 0.045 0.000 2.096 361 R HA -0.089 4.254 4.340 0.006 0.000 0.235 361 R C 2.465 178.774 176.300 0.015 0.000 1.127 361 R CA 1.185 57.303 56.100 0.030 0.000 0.968 361 R CB -0.507 29.806 30.300 0.022 0.000 0.861 361 R HN 0.518 nan 8.270 nan 0.000 0.440 362 A N 0.752 123.580 122.820 0.014 0.000 1.877 362 A HA -0.129 4.195 4.320 0.006 0.000 0.216 362 A C 2.382 179.973 177.584 0.012 0.000 1.186 362 A CA 1.501 53.545 52.037 0.011 0.000 0.620 362 A CB -0.590 18.419 19.000 0.015 0.000 0.822 362 A HN 0.119 nan 8.150 nan 0.000 0.443 363 V N 0.972 120.905 119.914 0.032 0.000 2.307 363 V HA -0.244 3.879 4.120 0.006 0.000 0.245 363 V C 2.261 178.336 176.094 -0.031 0.000 1.045 363 V CA 2.141 64.459 62.300 0.031 0.000 1.024 363 V CB -0.982 30.881 31.823 0.067 0.000 0.651 363 V HN 0.557 nan 8.190 nan 0.000 0.449 364 N N 0.326 119.008 118.700 -0.030 0.000 2.166 364 N HA -0.153 4.591 4.740 0.006 0.000 0.186 364 N C 1.502 176.978 175.510 -0.058 0.000 1.019 364 N CA 1.484 54.497 53.050 -0.062 0.000 0.856 364 N CB -0.471 37.999 38.487 -0.027 0.000 0.993 364 N HN 0.476 nan 8.380 nan 0.000 0.426 365 D N 0.664 121.040 120.400 -0.041 0.000 2.144 365 D HA -0.063 4.581 4.640 0.006 0.000 0.200 365 D C 1.965 178.220 176.300 -0.076 0.000 0.978 365 D CA 0.681 54.654 54.000 -0.044 0.000 0.833 365 D CB -0.101 40.680 40.800 -0.030 0.000 0.961 365 D HN 0.263 nan 8.370 nan 0.000 0.470 366 R N 0.316 120.750 120.500 -0.110 0.000 2.096 366 R HA -0.063 4.280 4.340 0.006 0.000 0.235 366 R C 2.321 178.514 176.300 -0.178 0.000 1.127 366 R CA 0.581 56.573 56.100 -0.180 0.000 0.968 366 R CB -0.240 29.872 30.300 -0.315 0.000 0.861 366 R HN 0.104 nan 8.270 nan 0.000 0.440 367 V N 0.882 120.705 119.914 -0.152 0.000 2.358 367 V HA -0.210 3.913 4.120 0.006 0.000 0.246 367 V C 2.343 178.382 176.094 -0.092 0.000 1.047 367 V CA 1.533 63.756 62.300 -0.130 0.000 1.035 367 V CB -0.407 31.339 31.823 -0.128 0.000 0.658 367 V HN 0.225 nan 8.190 nan 0.000 0.452 368 R N 0.495 120.951 120.500 -0.074 0.000 2.115 368 R HA 0.020 4.363 4.340 0.006 0.000 0.230 368 R C 2.196 178.468 176.300 -0.047 0.000 1.111 368 R CA 1.376 57.448 56.100 -0.046 0.000 0.976 368 R CB -1.124 29.159 30.300 -0.029 0.000 0.870 368 R HN 0.527 nan 8.270 nan 0.000 0.445 369 A N -0.478 122.305 122.820 -0.062 0.000 2.209 369 A HA 0.189 4.512 4.320 0.006 0.000 0.212 369 A C 1.380 178.927 177.584 -0.061 0.000 1.158 369 A CA 1.322 53.325 52.037 -0.058 0.000 0.742 369 A CB -0.047 18.913 19.000 -0.067 0.000 0.790 369 A HN 0.437 nan 8.150 nan 0.000 0.472 370 G N -1.990 106.768 108.800 -0.069 0.000 2.260 370 G HA2 -0.161 3.802 3.960 0.006 0.000 0.179 370 G HA3 -0.161 3.802 3.960 0.006 0.000 0.179 370 G C 0.159 175.012 174.900 -0.078 0.000 1.002 370 G CA 0.116 45.179 45.100 -0.062 0.000 0.677 370 G HN 0.598 nan 8.290 nan 0.000 0.486 371 Q N 1.572 121.299 119.800 -0.122 0.000 2.297 371 Q HA 0.427 4.771 4.340 0.006 0.000 0.267 371 Q C -0.318 175.620 176.000 -0.103 0.000 1.006 371 Q CA 0.024 55.736 55.803 -0.152 0.000 0.896 371 Q CB 0.507 29.061 28.738 -0.308 0.000 1.186 371 Q HN 0.250 nan 8.270 nan 0.000 0.392 372 E N 4.950 125.116 120.200 -0.057 0.000 2.376 372 E HA 0.156 4.509 4.350 0.006 0.000 0.266 372 E C -2.337 174.252 176.600 -0.018 0.000 1.009 372 E CA -1.301 55.083 56.400 -0.027 0.000 0.902 372 E CB 0.504 30.205 29.700 0.001 0.000 0.972 372 E HN 0.619 nan 8.360 nan 0.000 0.439 373 P HA 0.092 nan 4.420 nan 0.000 0.268 373 P C -0.428 176.898 177.300 0.044 0.000 1.208 373 P CA 0.050 63.145 63.100 -0.009 0.000 0.777 373 P CB 0.435 32.109 31.700 -0.043 0.000 0.875 374 L N 1.856 123.129 121.223 0.083 0.000 2.334 374 L HA 0.450 4.794 4.340 0.006 0.000 0.272 374 L C 0.541 177.453 176.870 0.070 0.000 1.020 374 L CA -1.254 53.649 54.840 0.106 0.000 0.812 374 L CB 1.252 43.407 42.059 0.159 0.000 1.264 374 L HN 0.307 nan 8.230 nan 0.000 0.439 375 L N 2.659 123.929 121.223 0.080 0.000 2.456 375 L HA 0.326 4.670 4.340 0.006 0.000 0.272 375 L C -0.590 176.314 176.870 0.057 0.000 1.189 375 L CA 0.205 55.087 54.840 0.070 0.000 0.846 375 L CB 0.536 42.678 42.059 0.140 0.000 1.111 375 L HN 0.398 nan 8.230 nan 0.000 0.475 376 I N 4.973 125.565 120.570 0.036 0.000 2.404 376 I HA 0.485 4.659 4.170 0.006 0.000 0.293 376 I C -0.100 176.036 176.117 0.031 0.000 0.992 376 I CA -0.540 60.778 61.300 0.030 0.000 1.149 376 I CB 1.741 39.755 38.000 0.023 0.000 1.315 376 I HN 0.704 nan 8.210 nan 0.000 0.446 377 A N 5.292 128.124 122.820 0.020 0.000 2.271 377 A HA 0.877 5.200 4.320 0.006 0.000 0.317 377 A C -0.414 177.185 177.584 0.025 0.000 1.245 377 A CA -0.429 51.628 52.037 0.033 0.000 0.857 377 A CB 0.983 19.954 19.000 -0.049 0.000 1.175 377 A HN 0.793 nan 8.150 nan 0.000 0.512 378 A N 2.293 125.159 122.820 0.077 0.000 2.374 378 A HA 0.687 5.010 4.320 0.006 0.000 0.317 378 A C -0.338 177.279 177.584 0.054 0.000 1.094 378 A CA -0.578 51.470 52.037 0.018 0.000 0.765 378 A CB 0.910 19.904 19.000 -0.009 0.000 1.268 378 A HN 0.806 nan 8.150 nan 0.000 0.438 379 D N 0.518 120.897 120.400 -0.036 0.000 2.478 379 D HA 0.411 5.055 4.640 0.006 0.000 0.269 379 D C -0.331 175.929 176.300 -0.067 0.000 1.232 379 D CA -0.252 53.724 54.000 -0.041 0.000 1.059 379 D CB 0.987 41.727 40.800 -0.101 0.000 1.104 379 D HN 0.451 nan 8.370 nan 0.000 0.566 380 M N 0.217 119.773 119.600 -0.074 0.000 2.216 380 M HA 0.445 4.928 4.480 0.006 0.000 0.356 380 M C -0.111 176.170 176.300 -0.031 0.000 1.205 380 M CA 0.305 55.567 55.300 -0.062 0.000 1.122 380 M CB 0.466 33.018 32.600 -0.081 0.000 1.571 380 M HN 0.473 nan 8.290 nan 0.000 0.464 381 G N 3.578 112.398 108.800 0.034 0.000 2.340 381 G HA2 -0.024 3.939 3.960 0.006 0.000 0.282 381 G HA3 -0.024 3.939 3.960 0.006 0.000 0.282 381 G C -0.522 174.460 174.900 0.137 0.000 1.312 381 G CA -0.174 44.956 45.100 0.051 0.000 0.942 381 G HN 0.583 nan 8.290 nan 0.000 0.495 382 D N -0.434 120.003 120.400 0.061 0.000 2.310 382 D HA -0.085 4.559 4.640 0.006 0.000 0.212 382 D C 2.581 178.903 176.300 0.037 0.000 0.965 382 D CA 2.093 56.159 54.000 0.111 0.000 0.879 382 D CB -0.420 40.424 40.800 0.073 0.000 0.921 382 D HN 0.751 nan 8.370 nan 0.000 0.510 383 C N -0.645 118.482 119.300 -0.289 0.000 2.411 383 C HA -0.053 4.410 4.460 0.006 0.000 0.279 383 C C 2.505 177.346 174.990 -0.248 0.000 1.288 383 C CA 0.202 58.778 59.018 -0.737 0.000 1.764 383 C CB -1.461 25.729 27.740 -0.916 0.000 1.974 383 C HN 0.321 nan 8.230 nan 0.000 0.498 384 L N 0.314 121.495 121.223 -0.071 0.000 2.044 384 L HA 0.214 4.557 4.340 0.006 0.000 0.205 384 L C 2.312 179.169 176.870 -0.021 0.000 1.075 384 L CA 1.679 56.492 54.840 -0.045 0.000 0.747 384 L CB -1.171 40.846 42.059 -0.071 0.000 0.903 384 L HN 0.282 nan 8.230 nan 0.000 0.435 385 F N -0.277 119.671 119.950 -0.004 0.000 2.269 385 F HA -0.189 4.341 4.527 0.006 0.000 0.301 385 F C 2.263 178.090 175.800 0.046 0.000 1.082 385 F CA 1.730 59.746 58.000 0.026 0.000 1.360 385 F CB -0.818 38.222 39.000 0.066 0.000 1.041 385 F HN 0.086 nan 8.300 nan 0.000 0.512 386 T N -0.697 114.004 114.554 0.245 0.000 2.851 386 T HA -0.029 4.324 4.350 0.006 0.000 0.262 386 T C 2.270 177.074 174.700 0.173 0.000 1.043 386 T CA 0.995 63.238 62.100 0.239 0.000 1.140 386 T CB -0.458 68.642 68.868 0.387 0.000 0.872 386 T HN 0.265 nan 8.240 nan 0.000 0.446 387 A N 1.590 124.474 122.820 0.107 0.000 2.070 387 A HA 0.011 4.334 4.320 0.006 0.000 0.220 387 A C 2.228 179.847 177.584 0.059 0.000 1.159 387 A CA 1.100 53.182 52.037 0.075 0.000 0.656 387 A CB -0.750 18.265 19.000 0.026 0.000 0.800 387 A HN 0.454 nan 8.150 nan 0.000 0.453 388 M N -0.478 119.146 119.600 0.039 0.000 2.374 388 M HA -0.094 4.389 4.480 0.006 0.000 0.264 388 M C 0.248 176.610 176.300 0.103 0.000 1.067 388 M CA 1.015 56.324 55.300 0.016 0.000 1.103 388 M CB -0.242 32.308 32.600 -0.083 0.000 1.402 388 M HN 0.193 nan 8.290 nan 0.000 0.444 389 D N 0.182 120.676 120.400 0.156 0.000 2.427 389 D HA 0.262 4.905 4.640 0.006 0.000 0.224 389 D C -0.021 176.447 176.300 0.280 0.000 1.157 389 D CA 0.313 54.468 54.000 0.258 0.000 0.828 389 D CB 0.245 41.171 40.800 0.210 0.000 0.974 389 D HN 0.314 nan 8.370 nan 0.000 0.498 390 M N 0.468 120.165 119.600 0.161 0.000 2.404 390 M HA 0.387 4.871 4.480 0.006 0.000 0.338 390 M C 0.069 176.268 176.300 -0.168 0.000 1.150 390 M CA -0.749 54.562 55.300 0.019 0.000 1.016 390 M CB 2.629 35.251 32.600 0.036 0.000 1.672 390 M HN -0.288 nan 8.290 nan 0.000 0.448 391 I N 2.792 123.108 120.570 -0.422 0.000 2.452 391 I HA 0.070 4.243 4.170 0.006 0.000 0.287 391 I C -0.332 175.651 176.117 -0.225 0.000 1.079 391 I CA 0.031 60.989 61.300 -0.571 0.000 1.387 391 I CB 0.039 37.685 38.000 -0.591 0.000 1.404 391 I HN 0.689 nan 8.210 nan 0.000 0.522 392 D N 4.905 125.216 120.400 -0.150 0.000 2.566 392 D HA 0.627 5.270 4.640 0.006 0.000 0.254 392 D C -0.447 175.821 176.300 -0.053 0.000 1.090 392 D CA -0.886 53.072 54.000 -0.069 0.000 1.034 392 D CB 1.696 42.467 40.800 -0.049 0.000 1.434 392 D HN 0.409 nan 8.370 nan 0.000 0.509 393 A N 0.001 122.805 122.820 -0.027 0.000 2.965 393 A HA 0.736 5.059 4.320 0.006 0.000 0.304 393 A C 0.634 178.195 177.584 -0.038 0.000 1.214 393 A CA 0.176 52.198 52.037 -0.025 0.000 0.977 393 A CB -1.003 18.000 19.000 0.004 0.000 1.127 393 A HN 1.374 nan 8.150 nan 0.000 0.572 394 G N -0.778 107.989 108.800 -0.056 0.000 2.592 394 G HA2 0.378 4.341 3.960 0.006 0.000 0.685 394 G HA3 0.378 4.341 3.960 0.006 0.000 0.685 394 G C -1.506 173.355 174.900 -0.066 0.000 1.278 394 G CA -0.380 44.673 45.100 -0.079 0.000 0.822 394 G HN 1.334 nan 8.290 nan 0.000 0.652 395 L N 2.233 123.390 121.223 -0.109 0.000 2.406 395 L HA 0.911 5.254 4.340 0.006 0.000 0.272 395 L C -0.210 176.599 176.870 -0.101 0.000 0.980 395 L CA -0.946 53.833 54.840 -0.101 0.000 0.831 395 L CB 1.778 43.740 42.059 -0.161 0.000 1.253 395 L HN 0.859 nan 8.230 nan 0.000 0.406 396 M N 5.247 124.850 119.600 0.004 0.000 2.125 396 M HA 0.842 5.326 4.480 0.006 0.000 0.321 396 M C -1.191 175.213 176.300 0.173 0.000 0.983 396 M CA -0.239 55.115 55.300 0.091 0.000 0.934 396 M CB 1.181 33.889 32.600 0.179 0.000 1.542 396 M HN 0.872 nan 8.290 nan 0.000 0.424 397 A N 5.656 128.492 122.820 0.026 0.000 2.608 397 A HA 0.767 5.090 4.320 0.006 0.000 0.292 397 A C -2.888 174.488 177.584 -0.347 0.000 1.066 397 A CA -0.916 51.063 52.037 -0.096 0.000 0.676 397 A CB 1.378 20.415 19.000 0.062 0.000 1.277 397 A HN 0.610 nan 8.150 nan 0.000 0.413 398 P HA 0.143 nan 4.420 nan 0.000 0.218 398 P C 1.049 178.235 177.300 -0.189 0.000 1.793 398 P CA 0.559 63.423 63.100 -0.394 0.000 0.941 398 P CB -0.112 31.366 31.700 -0.371 0.000 1.919 399 G N 0.466 109.175 108.800 -0.152 0.000 2.450 399 G HA2 -0.257 3.706 3.960 0.006 0.000 0.220 399 G HA3 -0.257 3.706 3.960 0.006 0.000 0.220 399 G C 0.702 175.490 174.900 -0.187 0.000 1.130 399 G CA 0.782 45.654 45.100 -0.380 0.000 0.760 399 G HN 0.250 nan 8.290 nan 0.000 0.557 400 Y N -2.104 118.164 120.300 -0.055 0.000 2.422 400 Y HA 0.234 4.787 4.550 0.006 0.000 0.291 400 Y C 2.242 178.141 175.900 -0.002 0.000 1.144 400 Y CA -0.781 57.296 58.100 -0.039 0.000 1.208 400 Y CB -1.073 37.417 38.460 0.051 0.000 1.195 400 Y HN 0.191 nan 8.280 nan 0.000 0.535 401 Y N 1.310 121.652 120.300 0.070 0.000 2.242 401 Y HA 0.112 4.666 4.550 0.006 0.000 0.291 401 Y C 1.867 177.744 175.900 -0.038 0.000 1.137 401 Y CA 1.038 59.148 58.100 0.018 0.000 1.181 401 Y CB -0.458 38.008 38.460 0.010 0.000 0.989 401 Y HN 0.170 nan 8.280 nan 0.000 0.527 402 A N -0.355 122.405 122.820 -0.101 0.000 2.826 402 A HA -0.172 4.152 4.320 0.006 0.000 0.274 402 A C 0.895 178.333 177.584 -0.243 0.000 1.443 402 A CA 0.768 52.689 52.037 -0.193 0.000 0.833 402 A CB -2.204 16.674 19.000 -0.203 0.000 1.023 402 A HN 0.850 nan 8.150 nan 0.000 0.600 403 G N -1.005 107.660 108.800 -0.226 0.000 2.356 403 G HA2 0.573 4.536 3.960 0.006 0.000 0.298 403 G HA3 0.573 4.536 3.960 0.006 0.000 0.298 403 G C -0.026 174.849 174.900 -0.041 0.000 1.145 403 G CA -0.421 44.587 45.100 -0.153 0.000 0.850 403 G HN 0.479 nan 8.290 nan 0.000 0.487 404 M N 1.231 120.805 119.600 -0.043 0.000 2.255 404 M HA 0.445 4.929 4.480 0.006 0.000 0.336 404 M C 1.356 177.631 176.300 -0.041 0.000 1.135 404 M CA 1.341 56.611 55.300 -0.050 0.000 1.145 404 M CB 1.452 34.026 32.600 -0.044 0.000 1.473 404 M HN 0.930 nan 8.290 nan 0.000 0.462 405 G N 0.949 109.665 108.800 -0.139 0.000 2.218 405 G HA2 -0.271 3.693 3.960 0.006 0.000 0.216 405 G HA3 -0.271 3.693 3.960 0.006 0.000 0.216 405 G C 0.487 175.013 174.900 -0.622 0.000 0.994 405 G CA 0.236 45.216 45.100 -0.200 0.000 0.637 405 G HN 0.725 nan 8.290 nan 0.000 0.505 406 F N 2.411 121.735 119.950 -1.043 0.000 2.171 406 F HA 0.195 4.726 4.527 0.006 0.000 0.300 406 F C 2.456 177.919 175.800 -0.562 0.000 1.090 406 F CA 2.641 59.919 58.000 -1.203 0.000 1.293 406 F CB -0.457 38.106 39.000 -0.729 0.000 1.013 406 F HN 0.235 nan 8.300 nan 0.000 0.486 407 G N 0.469 109.136 108.800 -0.222 0.000 2.721 407 G HA2 -0.332 3.631 3.960 0.006 0.000 0.218 407 G HA3 -0.332 3.631 3.960 0.006 0.000 0.218 407 G C 1.740 176.465 174.900 -0.292 0.000 1.265 407 G CA 1.818 46.800 45.100 -0.196 0.000 0.796 407 G HN 0.322 nan 8.290 nan 0.000 0.620 408 V N 2.277 122.012 119.914 -0.298 0.000 2.295 408 V HA -0.101 4.022 4.120 0.006 0.000 0.246 408 V C 0.375 176.287 176.094 -0.302 0.000 1.049 408 V CA 2.372 64.493 62.300 -0.297 0.000 1.024 408 V CB -1.003 30.591 31.823 -0.382 0.000 0.648 408 V HN 0.310 nan 8.190 nan 0.000 0.447 409 P HA -0.125 nan 4.420 nan 0.000 0.217 409 P C 1.625 178.704 177.300 -0.368 0.000 1.150 409 P CA 1.858 64.805 63.100 -0.254 0.000 0.832 409 P CB -0.114 31.531 31.700 -0.092 0.000 0.787 410 A N -0.132 122.348 122.820 -0.567 0.000 1.898 410 A HA -0.049 4.274 4.320 0.006 0.000 0.216 410 A C 2.490 179.854 177.584 -0.368 0.000 1.181 410 A CA 1.964 53.605 52.037 -0.660 0.000 0.620 410 A CB -1.883 16.384 19.000 -1.222 0.000 0.819 410 A HN 0.264 nan 8.150 nan 0.000 0.442 411 G N 0.031 108.656 108.800 -0.291 0.000 2.442 411 G HA2 -0.197 3.766 3.960 0.006 0.000 0.219 411 G HA3 -0.197 3.766 3.960 0.006 0.000 0.219 411 G C 1.525 176.315 174.900 -0.183 0.000 1.141 411 G CA 1.155 46.142 45.100 -0.187 0.000 0.763 411 G HN 0.478 nan 8.290 nan 0.000 0.554 412 I N 1.090 121.538 120.570 -0.204 0.000 2.202 412 I HA -0.071 4.102 4.170 0.006 0.000 0.242 412 I C 3.111 179.127 176.117 -0.169 0.000 1.091 412 I CA 1.061 62.260 61.300 -0.168 0.000 1.368 412 I CB -0.517 37.389 38.000 -0.158 0.000 1.058 412 I HN 0.246 nan 8.210 nan 0.000 0.410 413 G N 0.445 109.086 108.800 -0.265 0.000 2.418 413 G HA2 -0.241 3.722 3.960 0.006 0.000 0.217 413 G HA3 -0.241 3.722 3.960 0.006 0.000 0.217 413 G C 1.854 176.658 174.900 -0.160 0.000 1.158 413 G CA 0.865 45.771 45.100 -0.323 0.000 0.771 413 G HN 0.491 nan 8.290 nan 0.000 0.545 414 A N 0.276 122.971 122.820 -0.208 0.000 1.877 414 A HA -0.100 4.223 4.320 0.006 0.000 0.216 414 A C 2.287 179.631 177.584 -0.400 0.000 1.186 414 A CA 2.052 53.913 52.037 -0.293 0.000 0.620 414 A CB -0.531 18.367 19.000 -0.170 0.000 0.822 414 A HN 0.454 nan 8.150 nan 0.000 0.443 415 Q N -1.070 118.584 119.800 -0.244 0.000 2.224 415 Q HA -0.154 4.189 4.340 0.006 0.000 0.203 415 Q C 1.900 177.797 176.000 -0.170 0.000 0.970 415 Q CA 1.562 57.244 55.803 -0.203 0.000 0.865 415 Q CB -0.406 28.256 28.738 -0.126 0.000 0.922 415 Q HN 0.683 nan 8.270 nan 0.000 0.445 416 C N -0.619 118.603 119.300 -0.130 0.000 2.432 416 C HA -0.053 4.410 4.460 0.006 0.000 0.280 416 C C 2.101 177.063 174.990 -0.046 0.000 1.353 416 C CA 0.944 59.899 59.018 -0.106 0.000 1.766 416 C CB -0.511 27.197 27.740 -0.053 0.000 1.924 416 C HN 0.635 nan 8.230 nan 0.000 0.509 417 V N -0.954 118.902 119.914 -0.097 0.000 3.380 417 V HA 0.222 4.345 4.120 0.006 0.000 0.307 417 V C 1.524 177.496 176.094 -0.204 0.000 1.434 417 V CA 1.015 63.268 62.300 -0.079 0.000 1.075 417 V CB -0.673 31.162 31.823 0.019 0.000 0.954 417 V HN 0.431 nan 8.190 nan 0.000 0.444 418 S N 0.388 115.875 115.700 -0.354 0.000 2.603 418 S HA 0.265 4.739 4.470 0.006 0.000 0.220 418 S C 1.725 176.315 174.600 -0.017 0.000 0.967 418 S CA 0.662 58.680 58.200 -0.304 0.000 0.920 418 S CB -0.491 62.499 63.200 -0.349 0.000 0.773 418 S HN 1.930 nan 8.310 nan 0.000 0.529 419 G N 0.676 109.467 108.800 -0.016 0.000 2.323 419 G HA2 0.087 4.051 3.960 0.006 0.000 0.292 419 G HA3 0.087 4.051 3.960 0.006 0.000 0.292 419 G C 0.990 175.902 174.900 0.020 0.000 1.040 419 G CA 0.395 45.507 45.100 0.020 0.000 0.942 419 G HN 1.828 nan 8.290 nan 0.000 0.506 420 G N -1.673 107.129 108.800 0.003 0.000 2.238 420 G HA2 -0.194 3.770 3.960 0.006 0.000 0.217 420 G HA3 -0.194 3.770 3.960 0.006 0.000 0.217 420 G C 0.457 175.368 174.900 0.019 0.000 0.996 420 G CA 0.472 45.579 45.100 0.012 0.000 0.632 420 G HN 0.832 nan 8.290 nan 0.000 0.503 421 K N 1.326 121.743 120.400 0.028 0.000 2.339 421 K HA 0.346 4.669 4.320 0.006 0.000 0.286 421 K C 0.672 177.284 176.600 0.020 0.000 1.050 421 K CA -0.457 55.860 56.287 0.049 0.000 0.956 421 K CB 1.247 33.810 32.500 0.105 0.000 0.990 421 K HN 0.474 nan 8.250 nan 0.000 0.475 422 R N 2.697 123.216 120.500 0.032 0.000 2.539 422 R HA 0.223 4.566 4.340 0.006 0.000 0.275 422 R C -0.105 176.200 176.300 0.008 0.000 1.077 422 R CA -0.381 55.722 56.100 0.004 0.000 1.097 422 R CB 0.528 30.828 30.300 0.001 0.000 1.018 422 R HN 0.390 nan 8.270 nan 0.000 0.483 423 I N 4.814 125.368 120.570 -0.027 0.000 2.441 423 I HA 0.247 4.420 4.170 0.006 0.000 0.295 423 I C -0.530 175.565 176.117 -0.037 0.000 0.994 423 I CA -1.005 60.284 61.300 -0.018 0.000 1.144 423 I CB 1.341 39.314 38.000 -0.046 0.000 1.314 423 I HN 0.513 nan 8.210 nan 0.000 0.445 424 L N 5.854 127.073 121.223 -0.007 0.000 2.282 424 L HA 0.581 4.925 4.340 0.006 0.000 0.288 424 L C -0.207 176.660 176.870 -0.005 0.000 1.033 424 L CA 0.454 55.288 54.840 -0.010 0.000 0.807 424 L CB 1.413 43.502 42.059 0.050 0.000 1.209 424 L HN 0.611 nan 8.230 nan 0.000 0.423 425 T N 4.937 119.481 114.554 -0.016 0.000 2.829 425 T HA 0.651 5.004 4.350 0.006 0.000 0.280 425 T C -0.790 173.910 174.700 0.001 0.000 0.999 425 T CA -0.437 61.647 62.100 -0.027 0.000 0.983 425 T CB 1.534 70.362 68.868 -0.067 0.000 0.968 425 T HN 0.570 nan 8.240 nan 0.000 0.446 426 V N 1.151 121.052 119.914 -0.022 0.000 2.555 426 V HA 0.988 5.111 4.120 0.006 0.000 0.302 426 V C -0.467 175.528 176.094 -0.165 0.000 1.038 426 V CA -0.854 61.415 62.300 -0.051 0.000 0.887 426 V CB 1.403 33.176 31.823 -0.084 0.000 0.991 426 V HN 0.721 nan 8.190 nan 0.000 0.434 427 V N 3.240 123.044 119.914 -0.183 0.000 3.077 427 V HA 0.907 5.030 4.120 0.006 0.000 0.299 427 V C 0.377 176.378 176.094 -0.154 0.000 1.276 427 V CA 0.507 62.705 62.300 -0.171 0.000 0.993 427 V CB 2.088 33.865 31.823 -0.076 0.000 1.076 427 V HN 1.476 nan 8.190 nan 0.000 0.434 428 G N 2.743 111.460 108.800 -0.139 0.000 2.528 428 G HA2 0.370 4.334 3.960 0.006 0.000 0.289 428 G HA3 0.370 4.334 3.960 0.006 0.000 0.289 428 G C 0.605 175.468 174.900 -0.061 0.000 1.192 428 G CA 0.364 45.436 45.100 -0.047 0.000 0.921 428 G HN 0.973 nan 8.290 nan 0.000 0.512 429 D N -0.203 120.176 120.400 -0.035 0.000 2.144 429 D HA -0.106 4.537 4.640 0.006 0.000 0.199 429 D C 2.190 178.449 176.300 -0.068 0.000 0.984 429 D CA 1.333 55.269 54.000 -0.107 0.000 0.834 429 D CB -0.848 40.012 40.800 0.101 0.000 0.955 429 D HN 0.476 nan 8.370 nan 0.000 0.465 430 G N 1.067 109.899 108.800 0.054 0.000 2.421 430 G HA2 -0.154 3.810 3.960 0.006 0.000 0.216 430 G HA3 -0.154 3.810 3.960 0.006 0.000 0.216 430 G C 1.870 176.845 174.900 0.124 0.000 1.171 430 G CA 1.677 46.897 45.100 0.202 0.000 0.775 430 G HN 0.516 nan 8.290 nan 0.000 0.543 431 A N 0.029 122.874 122.820 0.042 0.000 1.930 431 A HA 0.145 4.468 4.320 0.006 0.000 0.217 431 A C 2.163 179.656 177.584 -0.152 0.000 1.175 431 A CA 1.336 53.349 52.037 -0.040 0.000 0.627 431 A CB -0.493 18.463 19.000 -0.073 0.000 0.815 431 A HN 0.362 nan 8.150 nan 0.000 0.443 432 F N 0.684 120.412 119.950 -0.370 0.000 2.171 432 F HA -0.199 4.332 4.527 0.006 0.000 0.300 432 F C 2.463 177.867 175.800 -0.660 0.000 1.090 432 F CA 2.088 59.712 58.000 -0.626 0.000 1.293 432 F CB -0.198 38.224 39.000 -0.963 0.000 1.013 432 F HN 0.290 nan 8.300 nan 0.000 0.486 433 Q N -0.456 119.216 119.800 -0.213 0.000 2.297 433 Q HA -0.221 4.122 4.340 0.006 0.000 0.208 433 Q C 2.045 178.189 176.000 0.239 0.000 0.981 433 Q CA 1.710 57.529 55.803 0.027 0.000 0.876 433 Q CB -0.140 28.495 28.738 -0.170 0.000 0.921 433 Q HN 0.533 nan 8.270 nan 0.000 0.446 434 M N -1.032 118.590 119.600 0.038 0.000 2.191 434 M HA -0.050 4.433 4.480 0.006 0.000 0.262 434 M C 1.778 178.139 176.300 0.102 0.000 1.083 434 M CA 1.681 57.060 55.300 0.131 0.000 1.154 434 M CB 0.263 32.917 32.600 0.089 0.000 1.344 434 M HN 0.181 nan 8.290 nan 0.000 0.431 435 T N -4.304 110.142 114.554 -0.180 0.000 3.144 435 T HA 0.267 4.621 4.350 0.006 0.000 0.290 435 T C 1.446 175.784 174.700 -0.605 0.000 0.966 435 T CA 0.220 62.197 62.100 -0.205 0.000 0.907 435 T CB -0.118 68.707 68.868 -0.072 0.000 1.152 435 T HN 0.351 nan 8.240 nan 0.000 0.532 436 G N 1.015 109.014 108.800 -1.335 0.000 2.470 436 G HA2 -0.084 3.879 3.960 0.006 0.000 0.220 436 G HA3 -0.084 3.879 3.960 0.006 0.000 0.220 436 G C 1.001 175.049 174.900 -1.420 0.000 1.121 436 G CA 0.289 44.112 45.100 -2.127 0.000 0.766 436 G HN 0.708 nan 8.290 nan 0.000 0.553 437 W N 1.022 121.994 121.300 -0.546 0.000 2.424 437 W HA 0.071 4.734 4.660 0.005 0.000 0.264 437 W C 2.105 178.535 176.519 -0.147 0.000 1.229 437 W CA 0.325 57.559 57.345 -0.186 0.000 1.208 437 W CB 0.109 29.542 29.460 -0.044 0.000 1.127 437 W HN 0.126 nan 8.180 nan 0.000 0.588 438 E N 0.779 120.935 120.200 -0.073 0.000 2.401 438 E HA -0.124 4.229 4.350 0.006 0.000 0.199 438 E C 1.911 178.445 176.600 -0.111 0.000 1.023 438 E CA 0.787 57.160 56.400 -0.044 0.000 0.859 438 E CB -0.493 29.164 29.700 -0.071 0.000 0.780 438 E HN 0.475 nan 8.360 nan 0.000 0.523 439 L N 0.003 121.069 121.223 -0.262 0.000 2.353 439 L HA -0.074 4.269 4.340 0.006 0.000 0.220 439 L C 2.266 179.044 176.870 -0.154 0.000 1.133 439 L CA 0.837 55.402 54.840 -0.457 0.000 0.798 439 L CB -0.459 40.915 42.059 -1.141 0.000 0.922 439 L HN 0.134 nan 8.230 nan 0.000 0.445 440 G N -0.406 108.423 108.800 0.049 0.000 2.535 440 G HA2 -0.207 3.757 3.960 0.006 0.000 0.218 440 G HA3 -0.207 3.757 3.960 0.006 0.000 0.218 440 G C 1.295 176.286 174.900 0.152 0.000 1.122 440 G CA 0.321 45.538 45.100 0.196 0.000 0.769 440 G HN 0.371 nan 8.290 nan 0.000 0.549 441 N N -0.321 118.434 118.700 0.092 0.000 2.353 441 N HA -0.025 4.718 4.740 0.006 0.000 0.185 441 N C 1.824 177.383 175.510 0.082 0.000 1.098 441 N CA 0.111 53.213 53.050 0.086 0.000 0.872 441 N CB 0.015 38.545 38.487 0.072 0.000 0.970 441 N HN 0.199 nan 8.380 nan 0.000 0.467 442 C N 1.074 120.434 119.300 0.100 0.000 2.413 442 C HA -0.073 4.390 4.460 0.006 0.000 0.276 442 C C 2.670 177.722 174.990 0.103 0.000 1.248 442 C CA 0.593 59.675 59.018 0.107 0.000 1.742 442 C CB -0.824 27.041 27.740 0.208 0.000 2.017 442 C HN 0.479 nan 8.230 nan 0.000 0.481 443 R N 0.279 120.854 120.500 0.125 0.000 2.080 443 R HA -0.157 4.186 4.340 0.006 0.000 0.236 443 R C 2.617 178.956 176.300 0.065 0.000 1.137 443 R CA 1.923 58.076 56.100 0.087 0.000 0.943 443 R CB -0.487 29.866 30.300 0.087 0.000 0.846 443 R HN 0.446 nan 8.270 nan 0.000 0.431 444 R N 1.061 121.603 120.500 0.070 0.000 2.081 444 R HA 0.001 4.345 4.340 0.006 0.000 0.235 444 R C 2.171 178.504 176.300 0.055 0.000 1.131 444 R CA 1.336 57.475 56.100 0.064 0.000 0.960 444 R CB -1.010 29.336 30.300 0.076 0.000 0.856 444 R HN 0.346 nan 8.270 nan 0.000 0.436 445 L N -0.160 121.085 121.223 0.037 0.000 2.465 445 L HA 0.261 4.604 4.340 0.006 0.000 0.224 445 L C 1.769 178.624 176.870 -0.026 0.000 1.145 445 L CA 0.856 55.684 54.840 -0.020 0.000 0.834 445 L CB -0.367 41.648 42.059 -0.073 0.000 0.944 445 L HN 0.667 nan 8.230 nan 0.000 0.451 446 G N 1.676 110.482 108.800 0.009 0.000 2.246 446 G HA2 -0.281 3.683 3.960 0.006 0.000 0.273 446 G HA3 -0.281 3.683 3.960 0.006 0.000 0.273 446 G C 0.088 174.987 174.900 -0.002 0.000 1.055 446 G CA 0.663 45.769 45.100 0.009 0.000 0.851 446 G HN 0.513 nan 8.290 nan 0.000 0.500 447 I N -3.688 116.884 120.570 0.002 0.000 3.108 447 I HA 0.901 5.074 4.170 0.006 0.000 0.312 447 I C -0.641 175.496 176.117 0.034 0.000 1.095 447 I CA -1.116 60.182 61.300 -0.003 0.000 1.000 447 I CB 2.538 40.517 38.000 -0.036 0.000 1.229 447 I HN 0.008 nan 8.210 nan 0.000 0.454 448 D N 0.841 121.257 120.400 0.026 0.000 3.060 448 D HA 0.308 4.951 4.640 0.006 0.000 0.326 448 D C -2.865 173.456 176.300 0.035 0.000 1.253 448 D CA -1.368 52.667 54.000 0.059 0.000 0.737 448 D CB 0.362 41.178 40.800 0.025 0.000 1.260 448 D HN 0.328 nan 8.370 nan 0.000 0.542 449 P HA 0.156 nan 4.420 nan 0.000 0.270 449 P C 0.162 177.461 177.300 -0.003 0.000 1.223 449 P CA -0.300 62.790 63.100 -0.018 0.000 0.785 449 P CB 1.504 33.177 31.700 -0.046 0.000 0.923 450 I N 1.435 121.957 120.570 -0.081 0.000 2.331 450 I HA 0.224 4.398 4.170 0.006 0.000 0.292 450 I C -0.025 176.070 176.117 -0.037 0.000 0.998 450 I CA -0.784 60.456 61.300 -0.100 0.000 1.267 450 I CB 1.477 39.299 38.000 -0.297 0.000 1.386 450 I HN 0.003 nan 8.210 nan 0.000 0.476 451 V N 7.769 127.694 119.914 0.019 0.000 2.444 451 V HA 0.426 4.549 4.120 0.006 0.000 0.294 451 V C -0.041 176.080 176.094 0.045 0.000 1.022 451 V CA -0.485 61.832 62.300 0.029 0.000 0.850 451 V CB 1.801 33.647 31.823 0.039 0.000 0.992 451 V HN 0.472 nan 8.190 nan 0.000 0.426 452 I N 5.774 126.393 120.570 0.081 0.000 2.307 452 I HA 0.405 4.579 4.170 0.006 0.000 0.289 452 I C -0.346 175.894 176.117 0.204 0.000 1.021 452 I CA -0.298 61.082 61.300 0.133 0.000 1.224 452 I CB 1.448 39.576 38.000 0.214 0.000 1.376 452 I HN 0.427 nan 8.210 nan 0.000 0.470 453 L N 7.201 128.478 121.223 0.090 0.000 2.265 453 L HA 0.470 4.814 4.340 0.006 0.000 0.289 453 L C -0.798 176.186 176.870 0.190 0.000 1.033 453 L CA -0.435 54.425 54.840 0.035 0.000 0.814 453 L CB 0.642 42.499 42.059 -0.337 0.000 1.203 453 L HN 0.457 nan 8.230 nan 0.000 0.423 454 F N 4.345 124.243 119.950 -0.086 0.000 2.464 454 F HA 0.160 4.690 4.527 0.006 0.000 0.353 454 F C 0.677 176.458 175.800 -0.033 0.000 1.191 454 F CA -0.545 57.433 58.000 -0.037 0.000 1.147 454 F CB 0.277 39.272 39.000 -0.009 0.000 1.294 454 F HN 0.532 nan 8.300 nan 0.000 0.583 455 N N 3.733 122.505 118.700 0.119 0.000 2.589 455 N HA 0.062 4.805 4.740 0.006 0.000 0.232 455 N C -0.135 175.435 175.510 0.099 0.000 1.015 455 N CA -0.393 52.731 53.050 0.124 0.000 0.931 455 N CB 0.209 38.799 38.487 0.171 0.000 1.150 455 N HN 0.456 nan 8.380 nan 0.000 0.512 456 N N 2.247 121.005 118.700 0.096 0.000 2.234 456 N HA 0.159 4.903 4.740 0.006 0.000 0.227 456 N C 0.159 175.700 175.510 0.051 0.000 1.151 456 N CA -0.115 52.974 53.050 0.065 0.000 0.865 456 N CB 0.174 38.699 38.487 0.063 0.000 1.066 456 N HN 0.339 nan 8.380 nan 0.000 0.515 457 A N -0.714 122.148 122.820 0.069 0.000 2.511 457 A HA -0.049 4.274 4.320 0.006 0.000 0.297 457 A C 0.342 177.918 177.584 -0.014 0.000 1.476 457 A CA 1.088 53.155 52.037 0.049 0.000 0.757 457 A CB -2.006 17.028 19.000 0.057 0.000 1.072 457 A HN 0.873 nan 8.150 nan 0.000 0.413 458 S N -1.171 114.509 115.700 -0.033 0.000 2.578 458 S HA 0.561 5.034 4.470 0.006 0.000 0.272 458 S C -1.392 173.227 174.600 0.032 0.000 1.145 458 S CA -0.422 57.750 58.200 -0.047 0.000 0.835 458 S CB 0.576 63.782 63.200 0.010 0.000 1.104 458 S HN 0.974 nan 8.310 nan 0.000 0.458 459 W N 3.252 124.578 121.300 0.043 0.000 1.978 459 W HA 0.356 5.019 4.660 0.005 0.000 0.373 459 W C 1.097 177.602 176.519 -0.022 0.000 0.813 459 W CA -0.588 56.773 57.345 0.026 0.000 1.571 459 W CB 0.299 29.802 29.460 0.071 0.000 1.746 459 W HN 0.933 nan 8.180 nan 0.000 0.302 460 E N 1.460 121.742 120.200 0.137 0.000 2.110 460 E HA -0.200 4.153 4.350 0.006 0.000 0.193 460 E C 2.062 178.592 176.600 -0.118 0.000 0.988 460 E CA 1.642 58.049 56.400 0.012 0.000 0.804 460 E CB 0.021 29.726 29.700 0.009 0.000 0.745 460 E HN 0.324 nan 8.360 nan 0.000 0.458 461 M N -0.503 119.005 119.600 -0.154 0.000 2.213 461 M HA -0.121 4.363 4.480 0.006 0.000 0.263 461 M C 1.915 177.830 176.300 -0.640 0.000 1.062 461 M CA 1.033 56.079 55.300 -0.424 0.000 1.105 461 M CB -0.136 32.305 32.600 -0.265 0.000 1.385 461 M HN 0.185 nan 8.290 nan 0.000 0.417 462 L N -0.994 120.099 121.223 -0.216 0.000 2.131 462 L HA -0.134 4.210 4.340 0.006 0.000 0.206 462 L C 2.633 179.467 176.870 -0.060 0.000 1.087 462 L CA 0.845 55.645 54.840 -0.065 0.000 0.767 462 L CB -0.696 41.456 42.059 0.154 0.000 0.917 462 L HN 0.315 nan 8.230 nan 0.000 0.441 463 R N 0.282 120.748 120.500 -0.056 0.000 2.083 463 R HA -0.165 4.178 4.340 0.006 0.000 0.237 463 R C 2.176 178.417 176.300 -0.099 0.000 1.137 463 R CA 2.117 58.181 56.100 -0.060 0.000 0.951 463 R CB -0.331 29.942 30.300 -0.045 0.000 0.851 463 R HN 0.230 nan 8.270 nan 0.000 0.434 464 T N 0.534 114.962 114.554 -0.210 0.000 2.737 464 T HA -0.163 4.190 4.350 0.006 0.000 0.269 464 T C 1.427 176.108 174.700 -0.031 0.000 1.040 464 T CA 1.824 63.804 62.100 -0.200 0.000 1.142 464 T CB -0.281 68.368 68.868 -0.365 0.000 0.861 464 T HN 0.317 nan 8.240 nan 0.000 0.456 465 F N 0.350 120.304 119.950 0.006 0.000 2.664 465 F HA 0.207 4.738 4.527 0.005 0.000 0.296 465 F C 1.730 177.530 175.800 0.000 0.000 1.125 465 F CA -0.181 57.818 58.000 -0.002 0.000 1.444 465 F CB 0.335 39.343 39.000 0.014 0.000 1.114 465 F HN 0.091 nan 8.300 nan 0.000 0.576 466 Q N 0.948 120.837 119.800 0.149 0.000 3.825 466 Q HA 0.141 4.484 4.340 0.006 0.000 0.218 466 Q C -2.166 173.826 176.000 -0.014 0.000 0.882 466 Q CA -1.361 54.486 55.803 0.074 0.000 0.766 466 Q CB 1.097 29.901 28.738 0.110 0.000 1.497 466 Q HN -0.091 nan 8.270 nan 0.000 0.428 467 P HA -0.201 nan 4.420 nan 0.000 0.222 467 P C 0.759 178.016 177.300 -0.071 0.000 1.147 467 P CA 1.075 64.147 63.100 -0.047 0.000 0.790 467 P CB 0.307 31.991 31.700 -0.026 0.000 0.780 468 E N 0.072 120.234 120.200 -0.064 0.000 2.478 468 E HA -0.004 4.349 4.350 0.006 0.000 0.198 468 E C 0.128 176.654 176.600 -0.124 0.000 1.046 468 E CA 0.292 56.651 56.400 -0.069 0.000 0.870 468 E CB -0.446 29.233 29.700 -0.036 0.000 0.818 468 E HN 0.096 nan 8.360 nan 0.000 0.527 469 S N 0.480 116.042 115.700 -0.230 0.000 2.562 469 S HA 0.466 4.939 4.470 0.006 0.000 0.275 469 S C 0.658 175.000 174.600 -0.430 0.000 1.281 469 S CA -0.029 57.897 58.200 -0.457 0.000 1.045 469 S CB 1.678 64.266 63.200 -1.021 0.000 0.962 469 S HN 0.398 nan 8.310 nan 0.000 0.503 470 A N 2.257 124.881 122.820 -0.327 0.000 2.095 470 A HA 0.152 4.475 4.320 0.006 0.000 0.212 470 A C 1.414 178.949 177.584 -0.081 0.000 1.162 470 A CA 0.282 52.228 52.037 -0.151 0.000 0.753 470 A CB -0.559 18.417 19.000 -0.039 0.000 0.840 470 A HN 0.841 nan 8.150 nan 0.000 0.468 471 F N 0.543 120.552 119.950 0.098 0.000 2.494 471 F HA -0.014 4.517 4.527 0.006 0.000 0.298 471 F C 1.044 176.957 175.800 0.187 0.000 1.106 471 F CA 0.891 58.977 58.000 0.143 0.000 1.452 471 F CB -1.540 37.577 39.000 0.195 0.000 1.085 471 F HN 0.206 nan 8.300 nan 0.000 0.569 472 N N -0.325 118.494 118.700 0.199 0.000 2.398 472 N HA -0.053 4.690 4.740 0.006 0.000 0.188 472 N C -0.533 174.992 175.510 0.025 0.000 1.122 472 N CA 0.128 53.354 53.050 0.293 0.000 0.866 472 N CB -0.094 38.511 38.487 0.197 0.000 0.970 472 N HN 0.176 nan 8.380 nan 0.000 0.462 473 D N 1.617 122.006 120.400 -0.019 0.000 2.352 473 D HA 0.135 4.779 4.640 0.006 0.000 0.245 473 D C 0.047 176.291 176.300 -0.094 0.000 1.224 473 D CA 0.203 54.172 54.000 -0.051 0.000 0.879 473 D CB 0.920 41.703 40.800 -0.027 0.000 1.057 473 D HN 0.147 nan 8.370 nan 0.000 0.491 474 L N 1.376 122.515 121.223 -0.140 0.000 2.431 474 L HA 0.320 4.663 4.340 0.006 0.000 0.260 474 L C 0.829 177.712 176.870 0.021 0.000 1.098 474 L CA -0.962 53.802 54.840 -0.126 0.000 0.800 474 L CB 0.776 42.691 42.059 -0.239 0.000 1.210 474 L HN 0.095 nan 8.230 nan 0.000 0.465 475 D N -0.315 120.161 120.400 0.127 0.000 2.377 475 D HA 0.088 4.731 4.640 0.006 0.000 0.245 475 D C -0.627 175.805 176.300 0.220 0.000 1.196 475 D CA 0.013 54.087 54.000 0.123 0.000 0.962 475 D CB 0.671 41.497 40.800 0.043 0.000 1.127 475 D HN 0.446 nan 8.370 nan 0.000 0.471 476 D N 0.287 120.749 120.400 0.104 0.000 2.380 476 D HA 0.162 4.805 4.640 0.006 0.000 0.230 476 D C -1.140 175.196 176.300 0.059 0.000 1.154 476 D CA -0.549 53.511 54.000 0.100 0.000 0.859 476 D CB 0.171 40.988 40.800 0.029 0.000 1.045 476 D HN 0.125 nan 8.370 nan 0.000 0.495 477 W N 3.720 124.840 121.300 -0.300 0.000 2.351 477 W HA 0.387 5.050 4.660 0.005 0.000 0.311 477 W C 0.632 176.765 176.519 -0.643 0.000 1.168 477 W CA -0.911 56.096 57.345 -0.563 0.000 1.200 477 W CB 0.949 29.778 29.460 -1.052 0.000 1.221 477 W HN 0.155 nan 8.180 nan 0.000 0.519 478 R N 4.402 124.782 120.500 -0.200 0.000 3.701 478 R HA 0.098 4.441 4.340 0.006 0.000 0.210 478 R C 0.615 176.903 176.300 -0.019 0.000 1.598 478 R CA -0.271 55.775 56.100 -0.089 0.000 1.427 478 R CB -0.782 29.499 30.300 -0.032 0.000 1.339 478 R HN 0.503 nan 8.270 nan 0.000 0.720 479 F N 0.878 120.913 119.950 0.142 0.000 2.126 479 F HA -0.217 4.313 4.527 0.006 0.000 0.299 479 F C 2.474 178.304 175.800 0.050 0.000 1.096 479 F CA 1.578 59.618 58.000 0.066 0.000 1.255 479 F CB -0.556 38.284 39.000 -0.266 0.000 0.997 479 F HN 0.396 nan 8.300 nan 0.000 0.479 480 A N 0.019 122.958 122.820 0.198 0.000 1.908 480 A HA -0.200 4.124 4.320 0.006 0.000 0.218 480 A C 1.946 179.608 177.584 0.131 0.000 1.181 480 A CA 2.077 54.193 52.037 0.132 0.000 0.627 480 A CB -0.859 18.189 19.000 0.081 0.000 0.818 480 A HN 0.289 nan 8.150 nan 0.000 0.445 481 D N -0.506 119.964 120.400 0.116 0.000 2.218 481 D HA -0.092 4.552 4.640 0.006 0.000 0.204 481 D C 1.815 178.198 176.300 0.139 0.000 0.976 481 D CA 1.170 55.228 54.000 0.097 0.000 0.853 481 D CB -0.277 40.560 40.800 0.062 0.000 0.939 481 D HN 0.532 nan 8.370 nan 0.000 0.481 482 M N -0.077 119.655 119.600 0.219 0.000 2.558 482 M HA 0.120 4.604 4.480 0.006 0.000 0.255 482 M C 2.100 178.604 176.300 0.340 0.000 1.113 482 M CA 0.166 55.644 55.300 0.296 0.000 1.097 482 M CB 0.242 33.119 32.600 0.462 0.000 1.426 482 M HN -0.078 nan 8.290 nan 0.000 0.488 483 A N 1.073 124.082 122.820 0.315 0.000 1.883 483 A HA -0.127 4.196 4.320 0.006 0.000 0.217 483 A C 2.406 180.110 177.584 0.200 0.000 1.186 483 A CA 2.095 54.339 52.037 0.345 0.000 0.624 483 A CB -0.873 18.276 19.000 0.248 0.000 0.822 483 A HN 0.483 nan 8.150 nan 0.000 0.444 484 A N -0.592 122.289 122.820 0.101 0.000 1.972 484 A HA 0.108 4.431 4.320 0.006 0.000 0.219 484 A C 2.370 180.008 177.584 0.089 0.000 1.169 484 A CA 1.870 53.933 52.037 0.043 0.000 0.635 484 A CB -1.337 17.680 19.000 0.028 0.000 0.810 484 A HN 0.802 nan 8.150 nan 0.000 0.446 485 G N 0.188 109.071 108.800 0.138 0.000 2.448 485 G HA2 -0.123 3.840 3.960 0.006 0.000 0.219 485 G HA3 -0.123 3.840 3.960 0.006 0.000 0.219 485 G C 1.333 176.338 174.900 0.174 0.000 1.127 485 G CA 1.126 46.309 45.100 0.139 0.000 0.766 485 G HN 0.764 nan 8.290 nan 0.000 0.552 486 M N -1.545 118.211 119.600 0.259 0.000 2.576 486 M HA 0.565 5.049 4.480 0.006 0.000 0.322 486 M C 1.044 177.553 176.300 0.349 0.000 1.184 486 M CA 0.258 55.745 55.300 0.311 0.000 0.967 486 M CB 0.671 33.509 32.600 0.397 0.000 1.372 486 M HN 0.221 nan 8.290 nan 0.000 0.509 487 G N 0.166 109.074 108.800 0.179 0.000 2.137 487 G HA2 -0.133 3.830 3.960 0.006 0.000 0.237 487 G HA3 -0.133 3.830 3.960 0.006 0.000 0.237 487 G C 0.026 174.775 174.900 -0.251 0.000 1.002 487 G CA -0.188 44.943 45.100 0.052 0.000 0.702 487 G HN 0.899 nan 8.290 nan 0.000 0.515 488 G N -1.218 107.189 108.800 -0.655 0.000 2.788 488 G HA2 0.612 4.575 3.960 0.006 0.000 0.293 488 G HA3 0.612 4.575 3.960 0.006 0.000 0.293 488 G C -1.462 173.037 174.900 -0.667 0.000 1.305 488 G CA -0.471 43.734 45.100 -1.491 0.000 1.005 488 G HN 0.080 nan 8.290 nan 0.000 0.496 489 D N 0.035 120.115 120.400 -0.532 0.000 2.349 489 D HA 0.506 5.149 4.640 0.006 0.000 0.232 489 D C 0.281 176.509 176.300 -0.120 0.000 1.071 489 D CA 0.065 53.932 54.000 -0.222 0.000 0.832 489 D CB 1.525 42.235 40.800 -0.149 0.000 1.086 489 D HN 0.533 nan 8.370 nan 0.000 0.504 490 G N 0.134 108.911 108.800 -0.039 0.000 2.432 490 G HA2 0.583 4.546 3.960 0.006 0.000 0.331 490 G HA3 0.583 4.546 3.960 0.006 0.000 0.331 490 G C -1.046 173.869 174.900 0.024 0.000 1.170 490 G CA -0.720 44.400 45.100 0.032 0.000 0.943 490 G HN 0.339 nan 8.290 nan 0.000 0.483 491 V N 1.692 121.624 119.914 0.030 0.000 2.752 491 V HA 0.658 4.781 4.120 0.006 0.000 0.302 491 V C -0.627 175.481 176.094 0.023 0.000 1.133 491 V CA -1.073 61.240 62.300 0.022 0.000 0.919 491 V CB 1.789 33.619 31.823 0.012 0.000 1.026 491 V HN 0.903 nan 8.190 nan 0.000 0.429 492 R N 5.172 125.686 120.500 0.025 0.000 2.254 492 R HA 0.755 5.098 4.340 0.006 0.000 0.318 492 R C -0.924 175.382 176.300 0.010 0.000 1.031 492 R CA -0.222 55.892 56.100 0.023 0.000 0.905 492 R CB 1.531 31.849 30.300 0.030 0.000 1.050 492 R HN 0.836 nan 8.270 nan 0.000 0.456 493 V N 2.152 122.067 119.914 0.001 0.000 2.628 493 V HA 0.553 4.676 4.120 0.006 0.000 0.306 493 V C 0.290 176.375 176.094 -0.014 0.000 1.045 493 V CA -0.824 61.471 62.300 -0.008 0.000 0.905 493 V CB 1.996 33.810 31.823 -0.015 0.000 0.997 493 V HN 0.921 nan 8.190 nan 0.000 0.436 494 R N 1.306 121.799 120.500 -0.013 0.000 2.394 494 R HA 0.256 4.599 4.340 0.006 0.000 0.220 494 R C 0.530 176.818 176.300 -0.019 0.000 0.887 494 R CA 0.734 56.825 56.100 -0.015 0.000 1.034 494 R CB 1.038 31.334 30.300 -0.007 0.000 1.179 494 R HN 0.937 nan 8.270 nan 0.000 0.561 495 T N -2.725 111.819 114.554 -0.018 0.000 2.924 495 T HA 0.341 4.695 4.350 0.006 0.000 0.291 495 T C 0.776 175.463 174.700 -0.021 0.000 1.045 495 T CA -0.932 61.158 62.100 -0.017 0.000 1.015 495 T CB 2.544 71.405 68.868 -0.011 0.000 1.103 495 T HN -0.089 nan 8.240 nan 0.000 0.496 496 R N 0.770 121.258 120.500 -0.020 0.000 2.127 496 R HA -0.080 4.264 4.340 0.006 0.000 0.238 496 R C 2.560 178.852 176.300 -0.014 0.000 1.134 496 R CA 1.424 57.512 56.100 -0.020 0.000 0.975 496 R CB -0.832 29.457 30.300 -0.017 0.000 0.865 496 R HN 0.812 nan 8.270 nan 0.000 0.447 497 A N 1.583 124.397 122.820 -0.010 0.000 1.873 497 A HA -0.185 4.138 4.320 0.006 0.000 0.215 497 A C 1.922 179.504 177.584 -0.004 0.000 1.186 497 A CA 1.302 53.335 52.037 -0.006 0.000 0.616 497 A CB -0.295 18.702 19.000 -0.005 0.000 0.823 497 A HN 0.322 nan 8.150 nan 0.000 0.442 498 E N -0.583 119.614 120.200 -0.006 0.000 2.110 498 E HA -0.185 4.169 4.350 0.006 0.000 0.193 498 E C 1.936 178.534 176.600 -0.003 0.000 0.988 498 E CA 1.147 57.545 56.400 -0.003 0.000 0.804 498 E CB -0.304 29.393 29.700 -0.005 0.000 0.745 498 E HN 0.515 nan 8.360 nan 0.000 0.458 499 L N 1.850 123.066 121.223 -0.010 0.000 1.994 499 L HA -0.198 4.145 4.340 0.006 0.000 0.208 499 L C 2.197 179.069 176.870 0.004 0.000 1.071 499 L CA 1.891 56.724 54.840 -0.012 0.000 0.745 499 L CB -0.371 41.669 42.059 -0.031 0.000 0.892 499 L HN -0.111 nan 8.230 nan 0.000 0.431 500 K N -0.003 120.398 120.400 0.003 0.000 2.032 500 K HA -0.173 4.150 4.320 0.006 0.000 0.209 500 K C 1.992 178.604 176.600 0.021 0.000 1.048 500 K CA 1.736 58.029 56.287 0.010 0.000 0.927 500 K CB -0.560 31.942 32.500 0.002 0.000 0.712 500 K HN 0.506 nan 8.250 nan 0.000 0.441 501 A N 0.811 123.640 122.820 0.016 0.000 1.902 501 A HA -0.083 4.240 4.320 0.006 0.000 0.217 501 A C 2.381 179.983 177.584 0.031 0.000 1.181 501 A CA 2.217 54.266 52.037 0.020 0.000 0.623 501 A CB -0.697 18.311 19.000 0.012 0.000 0.818 501 A HN 0.434 nan 8.150 nan 0.000 0.443 502 A N -0.725 122.112 122.820 0.028 0.000 1.933 502 A HA -0.009 4.314 4.320 0.006 0.000 0.218 502 A C 2.125 179.744 177.584 0.059 0.000 1.175 502 A CA 1.667 53.724 52.037 0.032 0.000 0.628 502 A CB -0.550 18.462 19.000 0.019 0.000 0.814 502 A HN 0.611 nan 8.150 nan 0.000 0.444 503 L N -0.051 121.221 121.223 0.081 0.000 2.056 503 L HA -0.137 4.207 4.340 0.006 0.000 0.207 503 L C 1.655 178.668 176.870 0.238 0.000 1.078 503 L CA 2.253 57.189 54.840 0.159 0.000 0.749 503 L CB -0.503 41.654 42.059 0.163 0.000 0.901 503 L HN 0.324 nan 8.230 nan 0.000 0.433 504 D N -0.839 119.648 120.400 0.146 0.000 2.117 504 D HA -0.203 4.440 4.640 0.006 0.000 0.197 504 D C 2.257 178.641 176.300 0.140 0.000 0.987 504 D CA 1.370 55.451 54.000 0.134 0.000 0.829 504 D CB -0.061 40.774 40.800 0.059 0.000 0.961 504 D HN 0.204 nan 8.370 nan 0.000 0.460 505 K N 0.812 121.267 120.400 0.092 0.000 2.057 505 K HA -0.050 4.273 4.320 0.006 0.000 0.207 505 K C 2.160 178.795 176.600 0.058 0.000 1.049 505 K CA 1.211 57.535 56.287 0.062 0.000 0.931 505 K CB -0.651 31.870 32.500 0.035 0.000 0.714 505 K HN 0.216 nan 8.250 nan 0.000 0.440 506 A N -0.286 122.567 122.820 0.054 0.000 1.865 506 A HA -0.012 4.312 4.320 0.006 0.000 0.217 506 A C 2.132 179.686 177.584 -0.049 0.000 1.191 506 A CA 1.918 53.942 52.037 -0.022 0.000 0.623 506 A CB -0.870 18.087 19.000 -0.072 0.000 0.826 506 A HN 0.555 nan 8.150 nan 0.000 0.444 507 F N 0.051 120.008 119.950 0.012 0.000 2.269 507 F HA -0.075 4.456 4.527 0.006 0.000 0.301 507 F C 2.618 178.422 175.800 0.007 0.000 1.082 507 F CA 1.081 59.088 58.000 0.011 0.000 1.360 507 F CB -0.132 38.873 39.000 0.008 0.000 1.041 507 F HN 0.262 nan 8.300 nan 0.000 0.512 508 A N -1.375 121.546 122.820 0.169 0.000 2.169 508 A HA 0.064 4.387 4.320 0.006 0.000 0.212 508 A C 0.888 178.503 177.584 0.051 0.000 1.153 508 A CA 0.759 52.854 52.037 0.097 0.000 0.756 508 A CB -0.638 18.407 19.000 0.074 0.000 0.813 508 A HN 0.137 nan 8.150 nan 0.000 0.471 509 T N 1.521 116.092 114.554 0.029 0.000 2.788 509 T HA 0.505 4.859 4.350 0.006 0.000 0.296 509 T C -0.137 174.555 174.700 -0.013 0.000 1.009 509 T CA -0.443 61.657 62.100 0.001 0.000 0.949 509 T CB 0.966 69.825 68.868 -0.015 0.000 0.946 509 T HN 0.353 nan 8.240 nan 0.000 0.453 510 R N 1.059 121.556 120.500 -0.006 0.000 2.828 510 R HA 0.723 5.066 4.340 0.006 0.000 0.264 510 R C 1.092 177.385 176.300 -0.011 0.000 1.022 510 R CA -0.551 55.544 56.100 -0.008 0.000 1.021 510 R CB 1.540 31.843 30.300 0.005 0.000 1.163 510 R HN 0.843 nan 8.270 nan 0.000 0.494 511 G N 0.768 109.563 108.800 -0.007 0.000 2.284 511 G HA2 -0.228 3.736 3.960 0.006 0.000 0.216 511 G HA3 -0.228 3.736 3.960 0.006 0.000 0.216 511 G C 0.031 174.926 174.900 -0.009 0.000 1.009 511 G CA -0.395 44.702 45.100 -0.005 0.000 0.625 511 G HN 0.473 nan 8.290 nan 0.000 0.501 512 R N -0.038 120.442 120.500 -0.034 0.000 2.744 512 R HA 0.600 4.943 4.340 0.006 0.000 0.279 512 R C 0.193 176.456 176.300 -0.061 0.000 0.977 512 R CA -0.739 55.312 56.100 -0.081 0.000 0.906 512 R CB 1.297 31.491 30.300 -0.177 0.000 1.197 512 R HN 0.397 nan 8.270 nan 0.000 0.463 513 F N 0.215 120.163 119.950 -0.003 0.000 2.545 513 F HA 0.183 4.713 4.527 0.005 0.000 0.348 513 F C -0.226 175.565 175.800 -0.014 0.000 1.163 513 F CA -0.416 57.575 58.000 -0.016 0.000 1.331 513 F CB 0.539 39.539 39.000 0.001 0.000 1.138 513 F HN 0.095 nan 8.300 nan 0.000 0.602 514 Q N 3.885 123.792 119.800 0.178 0.000 2.357 514 Q HA 0.394 4.737 4.340 0.006 0.000 0.266 514 Q C -1.408 174.697 176.000 0.175 0.000 1.021 514 Q CA -0.794 55.047 55.803 0.064 0.000 0.784 514 Q CB 2.103 30.826 28.738 -0.025 0.000 1.243 514 Q HN 0.819 nan 8.270 nan 0.000 0.465 515 L N 4.410 125.750 121.223 0.194 0.000 2.265 515 L HA 0.478 4.822 4.340 0.006 0.000 0.289 515 L C -0.937 175.970 176.870 0.062 0.000 1.033 515 L CA -0.141 54.802 54.840 0.173 0.000 0.814 515 L CB 0.691 42.913 42.059 0.271 0.000 1.203 515 L HN 0.530 nan 8.230 nan 0.000 0.423 516 I N 4.941 125.529 120.570 0.030 0.000 2.330 516 I HA 0.273 4.446 4.170 0.006 0.000 0.286 516 I C 0.076 176.186 176.117 -0.011 0.000 1.025 516 I CA -0.306 61.001 61.300 0.011 0.000 1.197 516 I CB 1.191 39.199 38.000 0.013 0.000 1.358 516 I HN 0.610 nan 8.210 nan 0.000 0.467 517 E N 6.644 126.839 120.200 -0.009 0.000 2.001 517 E HA 0.464 4.818 4.350 0.006 0.000 0.279 517 E C -0.561 176.033 176.600 -0.010 0.000 1.045 517 E CA -0.619 55.773 56.400 -0.012 0.000 0.833 517 E CB 0.898 30.621 29.700 0.039 0.000 1.077 517 E HN 0.706 nan 8.360 nan 0.000 0.397 518 A N 6.525 129.319 122.820 -0.043 0.000 2.269 518 A HA 0.336 4.660 4.320 0.006 0.000 0.302 518 A C -0.070 177.480 177.584 -0.056 0.000 1.266 518 A CA -0.653 51.334 52.037 -0.084 0.000 0.894 518 A CB 0.283 19.160 19.000 -0.205 0.000 1.147 518 A HN 0.631 nan 8.150 nan 0.000 0.537 519 M N 3.158 122.740 119.600 -0.030 0.000 2.162 519 M HA 0.380 4.863 4.480 0.006 0.000 0.356 519 M C -0.420 175.863 176.300 -0.029 0.000 1.303 519 M CA 0.177 55.474 55.300 -0.006 0.000 1.116 519 M CB -0.229 32.374 32.600 0.005 0.000 1.632 519 M HN 0.478 nan 8.290 nan 0.000 0.469 520 I N 5.020 125.582 120.570 -0.014 0.000 2.533 520 I HA 0.386 4.560 4.170 0.006 0.000 0.290 520 I C -2.261 173.859 176.117 0.004 0.000 1.056 520 I CA -1.975 59.313 61.300 -0.019 0.000 1.057 520 I CB 2.562 40.548 38.000 -0.023 0.000 1.240 520 I HN 0.372 nan 8.210 nan 0.000 0.423 521 P HA 0.250 nan 4.420 nan 0.000 0.272 521 P C -0.601 176.704 177.300 0.007 0.000 1.223 521 P CA -0.455 62.647 63.100 0.003 0.000 0.784 521 P CB 0.528 32.227 31.700 -0.002 0.000 0.923 522 R N 0.781 121.284 120.500 0.006 0.000 2.827 522 R HA 0.328 4.671 4.340 0.006 0.000 0.269 522 R C 1.419 177.718 176.300 -0.003 0.000 1.048 522 R CA 0.966 57.068 56.100 0.003 0.000 1.173 522 R CB -0.578 29.721 30.300 -0.003 0.000 1.070 522 R HN 0.851 nan 8.270 nan 0.000 0.498 523 G N -0.131 108.664 108.800 -0.009 0.000 2.184 523 G HA2 -0.266 3.697 3.960 0.006 0.000 0.264 523 G HA3 -0.266 3.697 3.960 0.006 0.000 0.264 523 G C -0.083 174.813 174.900 -0.007 0.000 0.975 523 G CA 0.218 45.310 45.100 -0.013 0.000 0.642 523 G HN 0.394 nan 8.290 nan 0.000 0.536 524 V N 2.049 121.963 119.914 0.000 0.000 2.347 524 V HA 0.710 4.834 4.120 0.006 0.000 0.280 524 V C 0.539 176.644 176.094 0.017 0.000 1.021 524 V CA -0.535 61.770 62.300 0.007 0.000 0.847 524 V CB 1.361 33.188 31.823 0.007 0.000 0.990 524 V HN 0.361 nan 8.190 nan 0.000 0.444 525 L N 3.365 124.598 121.223 0.017 0.000 2.301 525 L HA 0.691 5.035 4.340 0.006 0.000 0.264 525 L C 0.620 177.521 176.870 0.053 0.000 1.016 525 L CA -0.719 54.135 54.840 0.023 0.000 0.821 525 L CB 2.200 44.248 42.059 -0.017 0.000 1.346 525 L HN 0.675 nan 8.230 nan 0.000 0.429 526 S N -1.476 114.273 115.700 0.083 0.000 2.589 526 S HA 0.081 4.554 4.470 0.006 0.000 0.265 526 S C 0.348 175.011 174.600 0.105 0.000 1.342 526 S CA -0.512 57.762 58.200 0.124 0.000 1.005 526 S CB 0.924 64.242 63.200 0.195 0.000 0.909 526 S HN 0.615 nan 8.310 nan 0.000 0.555 527 D N 1.289 121.759 120.400 0.117 0.000 2.117 527 D HA -0.041 4.602 4.640 0.006 0.000 0.198 527 D C 1.976 178.364 176.300 0.147 0.000 0.982 527 D CA 1.637 55.703 54.000 0.109 0.000 0.828 527 D CB -0.952 39.907 40.800 0.098 0.000 0.967 527 D HN 0.700 nan 8.370 nan 0.000 0.464 528 T N 1.320 115.996 114.554 0.203 0.000 2.746 528 T HA -0.127 4.226 4.350 0.006 0.000 0.267 528 T C 1.887 176.821 174.700 0.391 0.000 1.039 528 T CA 0.492 62.773 62.100 0.301 0.000 1.142 528 T CB -0.249 68.819 68.868 0.333 0.000 0.866 528 T HN 0.035 nan 8.240 nan 0.000 0.444 529 L N 1.385 122.731 121.223 0.206 0.000 2.093 529 L HA 0.187 4.530 4.340 0.006 0.000 0.208 529 L C 2.531 179.426 176.870 0.041 0.000 1.085 529 L CA 1.587 56.300 54.840 -0.212 0.000 0.755 529 L CB -1.030 40.698 42.059 -0.551 0.000 0.904 529 L HN 0.199 nan 8.230 nan 0.000 0.435 530 A N -0.210 122.651 122.820 0.068 0.000 1.877 530 A HA -0.201 4.122 4.320 0.006 0.000 0.216 530 A C 2.411 180.058 177.584 0.105 0.000 1.186 530 A CA 1.712 53.790 52.037 0.069 0.000 0.620 530 A CB -0.529 18.504 19.000 0.055 0.000 0.822 530 A HN 0.493 nan 8.150 nan 0.000 0.443 531 R N -1.957 118.630 120.500 0.146 0.000 2.096 531 R HA -0.120 4.223 4.340 0.006 0.000 0.235 531 R C 1.999 178.413 176.300 0.189 0.000 1.127 531 R CA 1.511 57.698 56.100 0.146 0.000 0.968 531 R CB -0.522 29.872 30.300 0.156 0.000 0.861 531 R HN 0.611 nan 8.270 nan 0.000 0.440 532 F N 1.345 121.370 119.950 0.125 0.000 2.102 532 F HA -0.191 4.340 4.527 0.006 0.000 0.298 532 F C 2.052 177.906 175.800 0.090 0.000 1.105 532 F CA 1.265 59.355 58.000 0.150 0.000 1.239 532 F CB -0.388 38.778 39.000 0.277 0.000 0.991 532 F HN -0.301 nan 8.300 nan 0.000 0.474 533 V N 0.760 120.677 119.914 0.006 0.000 2.343 533 V HA -0.332 3.792 4.120 0.006 0.000 0.247 533 V C 2.473 178.506 176.094 -0.102 0.000 1.051 533 V CA 2.260 64.515 62.300 -0.074 0.000 1.036 533 V CB -0.964 30.908 31.823 0.081 0.000 0.654 533 V HN 0.504 nan 8.190 nan 0.000 0.451 534 Q N 0.270 120.048 119.800 -0.037 0.000 2.084 534 Q HA -0.169 4.175 4.340 0.006 0.000 0.202 534 Q C 2.252 178.212 176.000 -0.067 0.000 0.978 534 Q CA 2.011 57.794 55.803 -0.034 0.000 0.844 534 Q CB -0.502 28.236 28.738 0.002 0.000 0.898 534 Q HN 0.640 nan 8.270 nan 0.000 0.426 535 G N 0.442 109.192 108.800 -0.083 0.000 2.442 535 G HA2 -0.272 3.692 3.960 0.006 0.000 0.219 535 G HA3 -0.272 3.692 3.960 0.006 0.000 0.219 535 G C 1.343 176.148 174.900 -0.158 0.000 1.141 535 G CA 0.679 45.722 45.100 -0.094 0.000 0.763 535 G HN 0.320 nan 8.290 nan 0.000 0.554 536 Q N 0.761 120.399 119.800 -0.271 0.000 2.079 536 Q HA 0.056 4.399 4.340 0.006 0.000 0.200 536 Q C 2.002 177.898 176.000 -0.173 0.000 0.974 536 Q CA 1.367 56.998 55.803 -0.286 0.000 0.840 536 Q CB -0.896 27.577 28.738 -0.442 0.000 0.898 536 Q HN 0.580 nan 8.270 nan 0.000 0.430 537 K N 0.000 120.320 120.400 -0.134 0.000 2.780 537 K HA 0.000 4.323 4.320 0.006 0.000 0.191 537 K CA 0.000 56.237 56.287 -0.083 0.000 0.838 537 K CB 0.000 32.467 32.500 -0.055 0.000 1.064 537 K HN 0.000 nan 8.250 nan 0.000 0.543