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 2cfz_1_A DATA FIRST_RESID 20 DATA SEQUENCE TTAPKPPSAF TVEAQRRVEA ELPFADRADF ERADRGLIRR PERLLIRNPD DATA SEQUENCE GSVAWQLGGY DFLLDGKPRD SINPSLQRQA LLNLKYGLFE VAEGIYQVRG DATA SEQUENCE FDLANITFIR GDSGWIVVDT LTTPATARAA YELVSRELGE RPIRTVIYSH DATA SEQUENCE AHADHFGGVR GLVEPQQVAS GAVQIIAPAG FMEAAIKENV LAGNAMMRRA DATA SEQUENCE TYQYGTQLPK GPQGQVDMAI GKGLARGPLS LLAPTRLIEG EGEDLVLDGV DATA SEQUENCE PFTFQNTPGT ESPAEMNIWL PRQKALLMAE NVVGTLHNLY TLRGAEVRDA DATA SEQUENCE LGWSKYINQA LHRFGRQAEV MFAVHNWPRW GNAEIVEVLE KQRDLYGYLH DATA SEQUENCE DQTLHLANQG VTIGQVHNRL RLPPSLDQEW YDRGYHGSVS HNARAVLNRY DATA SEQUENCE LGYYDGNPAT LDPLSPEDSA GRYVEYMGGA ERLLEQARAS YARGEYRWVV DATA SEQUENCE EVVNRLVFAE PDNRAARELQ ADALEQLGYQ AENAGWRNSY LSAAYELRHG DATA SEQUENCE VPRDQXXXXX GSADALAAMD TGLLFDYLGV RLDAGAAEGK ALSINLRLPD DATA SEQUENCE IGENYLLELK NSHLNNLRGV QSEDAGQTVS IDRADLNRLL LKEVSAVRLV DATA SEQUENCE FEGKLKSSGN PLLLGQLFGM LGDFDFWFDI VTPAAK 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 20 T HA 0.000 nan 4.350 nan 0.000 0.228 20 T C 0.000 174.651 174.700 -0.082 0.000 1.109 20 T CA 0.000 62.069 62.100 -0.053 0.000 1.349 20 T CB 0.000 68.848 68.868 -0.034 0.000 0.612 21 T N -0.784 113.726 114.554 -0.074 0.000 3.393 21 T HA 0.739 5.089 4.350 -0.000 0.000 0.255 21 T C -0.051 174.632 174.700 -0.028 0.000 1.008 21 T CA -0.362 61.657 62.100 -0.136 0.000 1.053 21 T CB 0.187 68.963 68.868 -0.154 0.000 1.120 21 T HN 0.899 nan 8.240 nan 0.000 0.538 22 A N 1.596 124.409 122.820 -0.012 0.000 2.454 22 A HA 0.903 5.223 4.320 -0.000 0.000 0.302 22 A C -3.026 174.577 177.584 0.032 0.000 1.079 22 A CA -2.166 49.893 52.037 0.037 0.000 0.731 22 A CB 0.992 20.016 19.000 0.039 0.000 1.299 22 A HN 0.285 nan 8.150 nan 0.000 0.413 23 P HA 0.173 nan 4.420 nan 0.000 0.267 23 P C -0.587 176.780 177.300 0.111 0.000 1.200 23 P CA 0.140 63.303 63.100 0.104 0.000 0.772 23 P CB 0.427 32.227 31.700 0.166 0.000 0.855 24 K N 3.033 123.516 120.400 0.139 0.000 2.168 24 K HA 0.544 4.864 4.320 -0.000 0.000 0.239 24 K C -2.413 174.315 176.600 0.213 0.000 0.999 24 K CA -2.243 54.123 56.287 0.132 0.000 0.900 24 K CB -0.281 32.280 32.500 0.101 0.000 1.111 24 K HN 0.210 nan 8.250 nan 0.000 0.452 25 P HA 0.214 nan 4.420 nan 0.000 0.272 25 P C -2.509 174.918 177.300 0.212 0.000 1.240 25 P CA -1.350 61.821 63.100 0.119 0.000 0.791 25 P CB -0.591 31.149 31.700 0.067 0.000 0.978 26 P HA 0.003 nan 4.420 nan 0.000 0.265 26 P C 0.231 177.633 177.300 0.171 0.000 1.193 26 P CA 0.301 63.518 63.100 0.196 0.000 0.765 26 P CB 0.047 31.767 31.700 0.033 0.000 0.823 27 S N 2.221 118.048 115.700 0.213 0.000 2.634 27 S HA 0.371 4.841 4.470 -0.000 0.000 0.261 27 S C 1.542 176.231 174.600 0.149 0.000 1.271 27 S CA 0.024 58.353 58.200 0.216 0.000 0.985 27 S CB 0.431 63.832 63.200 0.336 0.000 0.968 27 S HN 0.440 nan 8.310 nan 0.000 0.568 28 A N 0.550 123.405 122.820 0.059 0.000 1.978 28 A HA 0.060 4.380 4.320 -0.000 0.000 0.220 28 A C 1.737 179.218 177.584 -0.171 0.000 1.170 28 A CA 1.308 53.273 52.037 -0.119 0.000 0.636 28 A CB -1.143 17.689 19.000 -0.279 0.000 0.810 28 A HN 0.805 nan 8.150 nan 0.000 0.448 29 F N 0.035 120.037 119.950 0.086 0.000 2.163 29 F HA -0.097 4.430 4.527 -0.000 0.000 0.297 29 F C 2.768 178.643 175.800 0.125 0.000 1.094 29 F CA 1.682 59.724 58.000 0.070 0.000 1.290 29 F CB -0.876 38.119 39.000 -0.007 0.000 1.017 29 F HN 0.093 nan 8.300 nan 0.000 0.483 30 T N -0.137 114.644 114.554 0.379 0.000 2.746 30 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 30 T C 2.220 177.025 174.700 0.175 0.000 1.039 30 T CA 1.366 63.636 62.100 0.283 0.000 1.142 30 T CB -0.520 68.517 68.868 0.282 0.000 0.866 30 T HN 0.003 nan 8.240 nan 0.000 0.444 31 V N 1.386 121.372 119.914 0.120 0.000 2.295 31 V HA -0.130 3.990 4.120 -0.000 0.000 0.246 31 V C 2.665 178.790 176.094 0.052 0.000 1.049 31 V CA 1.557 63.893 62.300 0.061 0.000 1.024 31 V CB -0.437 31.398 31.823 0.020 0.000 0.648 31 V HN 0.447 nan 8.190 nan 0.000 0.447 32 E N -0.109 120.117 120.200 0.044 0.000 2.204 32 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 32 E C 2.307 178.954 176.600 0.079 0.000 0.989 32 E CA 1.189 57.613 56.400 0.040 0.000 0.824 32 E CB -0.103 29.606 29.700 0.014 0.000 0.756 32 E HN 0.556 nan 8.360 nan 0.000 0.477 33 A N 1.154 124.046 122.820 0.120 0.000 1.933 33 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 33 A C 2.057 179.710 177.584 0.115 0.000 1.175 33 A CA 1.216 53.331 52.037 0.129 0.000 0.628 33 A CB -0.284 18.815 19.000 0.164 0.000 0.814 33 A HN 0.162 nan 8.150 nan 0.000 0.444 34 Q N -0.433 119.430 119.800 0.105 0.000 2.123 34 Q HA -0.084 4.256 4.340 -0.000 0.000 0.199 34 Q C 2.091 178.130 176.000 0.064 0.000 0.966 34 Q CA 0.922 56.780 55.803 0.092 0.000 0.845 34 Q CB -0.436 28.345 28.738 0.072 0.000 0.907 34 Q HN 0.550 nan 8.270 nan 0.000 0.439 35 R N 0.713 121.240 120.500 0.044 0.000 2.120 35 R HA -0.072 4.268 4.340 -0.000 0.000 0.234 35 R C 2.163 178.492 176.300 0.047 0.000 1.123 35 R CA 0.966 57.081 56.100 0.025 0.000 0.975 35 R CB -0.400 29.908 30.300 0.013 0.000 0.866 35 R HN 0.134 nan 8.270 nan 0.000 0.446 36 R N 0.715 121.254 120.500 0.065 0.000 2.115 36 R HA -0.025 4.315 4.340 -0.000 0.000 0.230 36 R C 2.072 178.433 176.300 0.101 0.000 1.111 36 R CA 0.760 56.903 56.100 0.073 0.000 0.976 36 R CB -0.348 29.993 30.300 0.069 0.000 0.870 36 R HN -0.024 nan 8.270 nan 0.000 0.445 37 V N 0.843 120.836 119.914 0.132 0.000 2.295 37 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 37 V C 1.893 178.180 176.094 0.322 0.000 1.049 37 V CA 2.196 64.623 62.300 0.211 0.000 1.024 37 V CB -0.448 31.527 31.823 0.254 0.000 0.648 37 V HN 0.421 nan 8.190 nan 0.000 0.447 38 E N 0.259 120.582 120.200 0.205 0.000 2.153 38 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 38 E C 2.249 178.968 176.600 0.199 0.000 0.988 38 E CA 1.259 57.738 56.400 0.131 0.000 0.811 38 E CB -0.313 29.306 29.700 -0.135 0.000 0.746 38 E HN 0.615 nan 8.360 nan 0.000 0.466 39 A N 0.989 123.886 122.820 0.129 0.000 2.014 39 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 39 A C 1.750 179.394 177.584 0.100 0.000 1.163 39 A CA 1.147 53.242 52.037 0.097 0.000 0.652 39 A CB -0.074 18.963 19.000 0.061 0.000 0.808 39 A HN 0.133 nan 8.150 nan 0.000 0.449 40 E N -1.167 119.102 120.200 0.115 0.000 2.389 40 E HA 0.261 4.611 4.350 -0.000 0.000 0.199 40 E C -0.290 176.315 176.600 0.007 0.000 0.978 40 E CA -0.148 56.282 56.400 0.049 0.000 0.912 40 E CB 0.261 29.980 29.700 0.030 0.000 0.907 40 E HN 0.472 nan 8.360 nan 0.000 0.494 41 L N 2.114 123.387 121.223 0.083 0.000 2.334 41 L HA 0.358 4.698 4.340 -0.000 0.000 0.273 41 L C -2.211 174.635 176.870 -0.040 0.000 1.013 41 L CA -2.271 52.493 54.840 -0.127 0.000 0.816 41 L CB 1.408 43.332 42.059 -0.225 0.000 1.278 41 L HN -0.198 nan 8.230 nan 0.000 0.431 42 P HA 0.083 nan 4.420 nan 0.000 0.230 42 P C 0.525 178.047 177.300 0.370 0.000 1.791 42 P CA -0.076 63.020 63.100 -0.007 0.000 1.020 42 P CB -0.264 31.333 31.700 -0.171 0.000 1.977 43 F N 1.321 121.567 119.950 0.493 0.000 2.333 43 F HA -0.139 4.388 4.527 -0.000 0.000 0.300 43 F C 2.497 178.462 175.800 0.275 0.000 1.083 43 F CA 1.294 59.571 58.000 0.462 0.000 1.395 43 F CB -0.805 38.358 39.000 0.271 0.000 1.056 43 F HN 0.204 nan 8.300 nan 0.000 0.529 44 A N -0.895 122.142 122.820 0.362 0.000 2.067 44 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 44 A C 0.935 178.650 177.584 0.220 0.000 1.158 44 A CA 1.086 53.259 52.037 0.227 0.000 0.661 44 A CB -0.667 18.431 19.000 0.164 0.000 0.801 44 A HN 0.217 nan 8.150 nan 0.000 0.452 45 D N 0.121 120.698 120.400 0.296 0.000 2.416 45 D HA 0.153 4.793 4.640 -0.000 0.000 0.240 45 D C 0.726 177.224 176.300 0.330 0.000 1.250 45 D CA 0.035 54.224 54.000 0.315 0.000 0.967 45 D CB -0.015 41.006 40.800 0.368 0.000 1.059 45 D HN 0.261 nan 8.370 nan 0.000 0.512 46 R N 2.615 123.251 120.500 0.228 0.000 2.468 46 R HA 0.246 4.586 4.340 -0.000 0.000 0.280 46 R C 1.585 178.024 176.300 0.233 0.000 0.963 46 R CA 0.028 56.266 56.100 0.229 0.000 1.083 46 R CB 0.580 30.957 30.300 0.128 0.000 1.200 46 R HN 0.400 nan 8.270 nan 0.000 0.541 47 A N 1.221 124.161 122.820 0.199 0.000 1.978 47 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 47 A C 1.402 179.059 177.584 0.122 0.000 1.170 47 A CA 1.515 53.653 52.037 0.169 0.000 0.636 47 A CB -0.143 18.974 19.000 0.196 0.000 0.810 47 A HN 0.159 nan 8.150 nan 0.000 0.448 48 D N -0.800 119.639 120.400 0.064 0.000 2.182 48 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 48 D C 1.474 177.474 176.300 -0.501 0.000 0.986 48 D CA 1.049 54.924 54.000 -0.209 0.000 0.847 48 D CB -0.375 40.243 40.800 -0.303 0.000 0.942 48 D HN 0.547 nan 8.370 nan 0.000 0.467 49 F N 1.225 121.025 119.950 -0.251 0.000 2.171 49 F HA -0.105 4.422 4.527 -0.000 0.000 0.300 49 F C 2.471 178.177 175.800 -0.156 0.000 1.090 49 F CA 0.831 58.692 58.000 -0.232 0.000 1.293 49 F CB -0.092 38.812 39.000 -0.161 0.000 1.013 49 F HN -0.091 nan 8.300 nan 0.000 0.486 50 E N 0.929 121.169 120.200 0.067 0.000 2.031 50 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 50 E C 2.385 178.981 176.600 -0.007 0.000 0.994 50 E CA 1.219 57.633 56.400 0.025 0.000 0.800 50 E CB -0.161 29.557 29.700 0.031 0.000 0.752 50 E HN 0.342 nan 8.360 nan 0.000 0.447 51 R N -0.032 120.479 120.500 0.017 0.000 2.096 51 R HA -0.138 4.202 4.340 -0.000 0.000 0.240 51 R C 2.396 178.755 176.300 0.099 0.000 1.139 51 R CA 1.467 57.679 56.100 0.187 0.000 0.952 51 R CB -0.395 30.096 30.300 0.319 0.000 0.854 51 R HN 0.168 nan 8.270 nan 0.000 0.436 52 A N 0.536 123.192 122.820 -0.273 0.000 2.067 52 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 52 A C 1.208 178.762 177.584 -0.051 0.000 1.158 52 A CA 1.378 53.218 52.037 -0.329 0.000 0.661 52 A CB 0.026 18.586 19.000 -0.734 0.000 0.801 52 A HN 0.148 nan 8.150 nan 0.000 0.452 53 D N -1.359 119.073 120.400 0.053 0.000 2.379 53 D HA 0.080 4.720 4.640 -0.000 0.000 0.208 53 D C 0.854 177.295 176.300 0.236 0.000 1.065 53 D CA -0.027 54.102 54.000 0.214 0.000 0.848 53 D CB -0.001 40.864 40.800 0.109 0.000 0.949 53 D HN 0.385 nan 8.370 nan 0.000 0.509 54 R N -0.009 120.564 120.500 0.123 0.000 2.570 54 R HA 0.261 4.600 4.340 -0.000 0.000 0.277 54 R C 1.027 177.438 176.300 0.185 0.000 1.039 54 R CA 1.080 57.173 56.100 -0.011 0.000 1.065 54 R CB 0.201 30.253 30.300 -0.414 0.000 0.964 54 R HN 0.125 nan 8.270 nan 0.000 0.428 55 G N 3.447 112.305 108.800 0.096 0.000 2.155 55 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.257 55 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.257 55 G C -0.105 174.928 174.900 0.222 0.000 0.983 55 G CA 0.215 45.416 45.100 0.170 0.000 0.676 55 G HN 0.561 nan 8.290 nan 0.000 0.528 56 L N 0.532 121.853 121.223 0.163 0.000 2.584 56 L HA 0.443 4.783 4.340 -0.000 0.000 0.272 56 L C 1.420 178.198 176.870 -0.153 0.000 1.195 56 L CA 0.598 55.331 54.840 -0.178 0.000 0.920 56 L CB 0.292 42.242 42.059 -0.183 0.000 1.173 56 L HN 0.207 nan 8.230 nan 0.000 0.489 57 I N 2.951 123.391 120.570 -0.216 0.000 2.729 57 I HA 0.194 4.364 4.170 -0.000 0.000 0.256 57 I C 0.429 176.446 176.117 -0.167 0.000 1.115 57 I CA 0.048 61.269 61.300 -0.131 0.000 1.446 57 I CB 0.099 38.048 38.000 -0.084 0.000 1.176 57 I HN 0.596 nan 8.210 nan 0.000 0.446 58 R N 0.841 121.198 120.500 -0.239 0.000 2.508 58 R HA 0.344 4.684 4.340 -0.000 0.000 0.283 58 R C -1.036 175.119 176.300 -0.241 0.000 1.120 58 R CA -0.506 55.480 56.100 -0.189 0.000 0.958 58 R CB 1.096 31.325 30.300 -0.117 0.000 1.215 58 R HN -0.041 nan 8.270 nan 0.000 0.427 59 R N 5.398 125.750 120.500 -0.247 0.000 2.247 59 R HA 0.474 4.814 4.340 -0.000 0.000 0.329 59 R C -2.126 174.083 176.300 -0.153 0.000 1.014 59 R CA -1.765 54.125 56.100 -0.350 0.000 0.907 59 R CB 0.833 30.832 30.300 -0.502 0.000 1.146 59 R HN 0.420 nan 8.270 nan 0.000 0.499 60 P HA -0.030 nan 4.420 nan 0.000 0.266 60 P C -0.003 177.411 177.300 0.191 0.000 1.193 60 P CA 0.005 63.200 63.100 0.158 0.000 0.770 60 P CB 0.900 32.764 31.700 0.274 0.000 0.836 61 E N 1.512 121.786 120.200 0.123 0.000 2.051 61 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 61 E C 0.026 176.725 176.600 0.166 0.000 0.991 61 E CA 1.572 58.041 56.400 0.116 0.000 0.799 61 E CB 0.122 29.861 29.700 0.065 0.000 0.748 61 E HN 0.350 nan 8.360 nan 0.000 0.449 62 R N -0.551 120.025 120.500 0.128 0.000 2.628 62 R HA 0.497 4.837 4.340 -0.000 0.000 0.288 62 R C -1.166 175.155 176.300 0.035 0.000 0.980 62 R CA -0.378 55.766 56.100 0.073 0.000 0.891 62 R CB 1.676 31.993 30.300 0.030 0.000 1.188 62 R HN -0.016 nan 8.270 nan 0.000 0.450 63 L N 3.602 124.783 121.223 -0.070 0.000 2.298 63 L HA 0.521 4.861 4.340 -0.000 0.000 0.284 63 L C -1.395 175.402 176.870 -0.122 0.000 1.013 63 L CA -1.095 53.659 54.840 -0.144 0.000 0.824 63 L CB 1.532 43.395 42.059 -0.327 0.000 1.221 63 L HN 0.434 nan 8.230 nan 0.000 0.418 64 L N 6.724 127.908 121.223 -0.064 0.000 2.457 64 L HA 0.553 4.893 4.340 -0.000 0.000 0.266 64 L C -0.966 175.909 176.870 0.007 0.000 0.979 64 L CA -0.043 54.776 54.840 -0.035 0.000 0.857 64 L CB 1.508 43.550 42.059 -0.028 0.000 1.213 64 L HN 0.353 nan 8.230 nan 0.000 0.418 65 I N 4.784 125.385 120.570 0.052 0.000 2.378 65 I HA 0.517 4.687 4.170 -0.000 0.000 0.291 65 I C -0.031 176.132 176.117 0.077 0.000 0.992 65 I CA -0.599 60.747 61.300 0.076 0.000 1.154 65 I CB 1.466 39.532 38.000 0.110 0.000 1.315 65 I HN 0.502 nan 8.210 nan 0.000 0.448 66 R N 4.328 124.864 120.500 0.059 0.000 2.664 66 R HA 0.465 4.805 4.340 -0.000 0.000 0.286 66 R C -0.657 175.673 176.300 0.050 0.000 0.967 66 R CA -0.984 55.145 56.100 0.049 0.000 0.933 66 R CB 1.361 31.682 30.300 0.034 0.000 1.146 66 R HN 0.498 nan 8.270 nan 0.000 0.468 67 N N 1.919 120.645 118.700 0.044 0.000 2.445 67 N HA 0.135 4.875 4.740 -0.000 0.000 0.264 67 N C -1.766 173.764 175.510 0.033 0.000 1.227 67 N CA -1.649 51.425 53.050 0.040 0.000 0.963 67 N CB 0.681 39.188 38.487 0.034 0.000 1.188 67 N HN 0.296 nan 8.380 nan 0.000 0.491 68 P HA -0.108 nan 4.420 nan 0.000 0.219 68 P C 0.428 177.741 177.300 0.022 0.000 1.146 68 P CA 1.157 64.274 63.100 0.028 0.000 0.808 68 P CB 0.119 31.836 31.700 0.029 0.000 0.779 69 D N -1.626 118.786 120.400 0.020 0.000 2.336 69 D HA 0.064 4.704 4.640 -0.000 0.000 0.229 69 D C 1.438 177.747 176.300 0.014 0.000 1.061 69 D CA 0.600 54.610 54.000 0.016 0.000 0.875 69 D CB -0.922 39.886 40.800 0.014 0.000 0.904 69 D HN 0.240 nan 8.370 nan 0.000 0.525 70 G N 0.154 108.964 108.800 0.017 0.000 2.199 70 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 70 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 70 G C 0.513 175.421 174.900 0.014 0.000 0.982 70 G CA 0.499 45.608 45.100 0.015 0.000 0.632 70 G HN 0.794 nan 8.290 nan 0.000 0.529 71 S N -0.741 114.968 115.700 0.016 0.000 2.596 71 S HA 0.607 5.077 4.470 -0.000 0.000 0.260 71 S C 0.354 174.968 174.600 0.023 0.000 1.336 71 S CA -0.084 58.126 58.200 0.016 0.000 0.993 71 S CB 2.151 65.361 63.200 0.015 0.000 0.923 71 S HN 1.021 nan 8.310 nan 0.000 0.567 72 V N 1.793 121.720 119.914 0.022 0.000 2.407 72 V HA 0.530 4.650 4.120 -0.000 0.000 0.278 72 V C 1.131 177.262 176.094 0.062 0.000 1.037 72 V CA -0.048 62.271 62.300 0.032 0.000 0.900 72 V CB 0.583 32.410 31.823 0.007 0.000 0.983 72 V HN 1.130 nan 8.190 nan 0.000 0.459 73 A N 5.188 128.067 122.820 0.098 0.000 1.935 73 A HA 0.191 4.511 4.320 -0.000 0.000 0.214 73 A C 0.590 178.350 177.584 0.294 0.000 1.178 73 A CA 0.617 52.745 52.037 0.152 0.000 0.640 73 A CB 0.288 19.368 19.000 0.133 0.000 0.825 73 A HN 0.820 nan 8.150 nan 0.000 0.447 74 W N -2.149 119.133 121.300 -0.030 0.000 0.000 74 W HA 0.506 5.166 4.660 -0.000 0.000 0.000 74 W C -1.540 174.933 176.519 -0.076 0.000 0.000 74 W CA 0.269 57.589 57.345 -0.042 0.000 0.000 74 W CB 0.079 29.506 29.460 -0.056 0.000 0.000 74 W HN 0.591 nan 8.180 nan 0.000 0.000 75 Q N 0.341 nan 119.800 nan 0.000 0.000 75 Q HA 0.292 4.632 4.340 -0.000 0.000 0.000 75 Q C -1.194 174.428 176.000 -0.632 0.000 0.000 75 Q CA -0.496 55.011 55.803 -0.494 0.000 0.000 75 Q CB 0.691 29.278 28.738 -0.252 0.000 0.000 75 Q HN 0.451 nan 8.270 nan 0.000 0.000 76 L N 0.474 121.428 121.223 -0.450 0.000 2.731 76 L HA 0.216 4.556 4.340 -0.000 0.000 0.240 76 L C 1.877 178.664 176.870 -0.138 0.000 1.120 76 L CA 0.726 55.394 54.840 -0.287 0.000 0.913 76 L CB 0.604 42.442 42.059 -0.367 0.000 1.213 76 L HN 0.902 nan 8.230 nan 0.000 0.515 77 G N 0.531 109.236 108.800 -0.159 0.000 2.450 77 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 77 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 77 G C 1.529 176.375 174.900 -0.090 0.000 1.130 77 G CA 0.827 45.875 45.100 -0.087 0.000 0.760 77 G HN 0.468 nan 8.290 nan 0.000 0.557 78 G N -0.538 108.137 108.800 -0.209 0.000 2.535 78 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.218 78 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.218 78 G C 1.150 175.933 174.900 -0.195 0.000 1.122 78 G CA 0.341 45.293 45.100 -0.248 0.000 0.769 78 G HN 0.482 nan 8.290 nan 0.000 0.549 79 Y N 0.782 121.086 120.300 0.006 0.000 2.470 79 Y HA 0.171 4.721 4.550 -0.000 0.000 0.284 79 Y C 1.690 177.446 175.900 -0.239 0.000 1.188 79 Y CA -0.730 57.292 58.100 -0.131 0.000 1.269 79 Y CB 0.246 38.588 38.460 -0.197 0.000 1.094 79 Y HN 0.091 nan 8.280 nan 0.000 0.518 80 D N 0.245 120.685 120.400 0.066 0.000 2.178 80 D HA -0.216 4.424 4.640 -0.000 0.000 0.201 80 D C 2.006 178.326 176.300 0.034 0.000 0.980 80 D CA 1.352 55.379 54.000 0.045 0.000 0.842 80 D CB -0.588 40.252 40.800 0.067 0.000 0.948 80 D HN 0.507 nan 8.370 nan 0.000 0.472 81 F N 0.327 120.303 119.950 0.044 0.000 2.225 81 F HA -0.158 4.369 4.527 -0.000 0.000 0.302 81 F C 1.841 177.673 175.800 0.053 0.000 1.068 81 F CA 0.860 58.883 58.000 0.039 0.000 1.327 81 F CB -0.907 38.109 39.000 0.028 0.000 1.043 81 F HN -0.075 nan 8.300 nan 0.000 0.506 82 L N 0.200 121.043 121.223 -0.635 0.000 2.395 82 L HA -0.029 4.311 4.340 -0.000 0.000 0.218 82 L C 2.385 179.167 176.870 -0.146 0.000 1.130 82 L CA 0.292 54.888 54.840 -0.408 0.000 0.826 82 L CB -0.484 41.264 42.059 -0.519 0.000 0.941 82 L HN 0.293 nan 8.230 nan 0.000 0.451 83 L N 0.424 121.592 121.223 -0.093 0.000 2.083 83 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 83 L C 2.249 179.111 176.870 -0.014 0.000 1.083 83 L CA 1.332 56.156 54.840 -0.027 0.000 0.752 83 L CB -0.647 41.415 42.059 0.004 0.000 0.899 83 L HN 0.451 nan 8.230 nan 0.000 0.433 84 D N -0.257 120.138 120.400 -0.009 0.000 2.310 84 D HA -0.103 4.537 4.640 -0.000 0.000 0.212 84 D C 1.629 177.913 176.300 -0.026 0.000 0.965 84 D CA 1.001 54.995 54.000 -0.010 0.000 0.879 84 D CB -0.312 40.490 40.800 0.003 0.000 0.921 84 D HN 0.305 nan 8.370 nan 0.000 0.510 85 G N 0.042 108.826 108.800 -0.026 0.000 2.189 85 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.267 85 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.267 85 G C 0.144 175.024 174.900 -0.033 0.000 0.975 85 G CA 0.367 45.445 45.100 -0.038 0.000 0.644 85 G HN 0.497 nan 8.290 nan 0.000 0.537 86 K N 1.457 121.847 120.400 -0.017 0.000 2.379 86 K HA 0.338 4.658 4.320 -0.000 0.000 0.284 86 K C -2.370 174.231 176.600 0.001 0.000 1.044 86 K CA -1.349 54.929 56.287 -0.015 0.000 0.974 86 K CB 0.739 33.235 32.500 -0.006 0.000 0.962 86 K HN 0.108 nan 8.250 nan 0.000 0.474 87 P HA 0.085 nan 4.420 nan 0.000 0.268 87 P C -0.881 176.421 177.300 0.004 0.000 1.204 87 P CA 0.017 63.111 63.100 -0.010 0.000 0.768 87 P CB 0.601 32.270 31.700 -0.051 0.000 0.842 88 R N 2.346 122.860 120.500 0.024 0.000 2.393 88 R HA 0.214 4.554 4.340 -0.000 0.000 0.315 88 R C 0.242 176.531 176.300 -0.018 0.000 0.952 88 R CA -0.558 55.548 56.100 0.009 0.000 0.842 88 R CB 1.134 31.463 30.300 0.048 0.000 1.163 88 R HN 0.372 nan 8.270 nan 0.000 0.450 89 D N 0.585 120.956 120.400 -0.047 0.000 2.378 89 D HA -0.102 4.538 4.640 -0.000 0.000 0.222 89 D C 1.303 177.533 176.300 -0.117 0.000 0.980 89 D CA 1.173 55.145 54.000 -0.047 0.000 0.907 89 D CB 0.287 41.068 40.800 -0.032 0.000 0.899 89 D HN 0.479 nan 8.370 nan 0.000 0.527 90 S N -0.448 115.095 115.700 -0.261 0.000 2.593 90 S HA 0.102 4.572 4.470 -0.000 0.000 0.217 90 S C 0.745 175.234 174.600 -0.186 0.000 0.966 90 S CA -0.288 57.548 58.200 -0.607 0.000 0.914 90 S CB -0.041 62.554 63.200 -1.008 0.000 0.776 90 S HN 0.082 nan 8.310 nan 0.000 0.523 91 I N 2.265 122.829 120.570 -0.010 0.000 2.465 91 I HA 0.301 4.471 4.170 -0.000 0.000 0.291 91 I C -0.141 176.061 176.117 0.142 0.000 1.014 91 I CA -0.860 60.509 61.300 0.116 0.000 1.093 91 I CB 1.412 39.498 38.000 0.144 0.000 1.267 91 I HN 0.061 nan 8.210 nan 0.000 0.431 92 N N 7.968 126.784 118.700 0.192 0.000 2.365 92 N HA 0.011 4.751 4.740 -0.000 0.000 0.265 92 N C -1.825 173.824 175.510 0.232 0.000 1.288 92 N CA -0.827 52.350 53.050 0.211 0.000 0.869 92 N CB 1.315 39.944 38.487 0.236 0.000 1.071 92 N HN 0.304 nan 8.380 nan 0.000 0.480 93 P HA -0.092 nan 4.420 nan 0.000 0.222 93 P C 1.344 178.931 177.300 0.479 0.000 1.147 93 P CA 0.801 64.042 63.100 0.236 0.000 0.790 93 P CB 0.247 31.988 31.700 0.068 0.000 0.780 94 S N -0.729 115.322 115.700 0.585 0.000 2.357 94 S HA -0.105 4.365 4.470 -0.000 0.000 0.221 94 S C 1.768 176.657 174.600 0.482 0.000 1.031 94 S CA 0.691 59.265 58.200 0.622 0.000 0.982 94 S CB -1.036 62.521 63.200 0.595 0.000 0.853 94 S HN -0.029 nan 8.310 nan 0.000 0.458 95 L N 2.022 123.500 121.223 0.426 0.000 2.083 95 L HA -0.025 4.315 4.340 -0.000 0.000 0.209 95 L C 2.485 179.413 176.870 0.097 0.000 1.083 95 L CA 2.097 57.086 54.840 0.249 0.000 0.752 95 L CB -0.961 41.258 42.059 0.267 0.000 0.899 95 L HN 0.439 nan 8.230 nan 0.000 0.433 96 Q N -0.745 119.147 119.800 0.153 0.000 2.170 96 Q HA -0.257 4.083 4.340 -0.000 0.000 0.203 96 Q C 2.420 178.460 176.000 0.067 0.000 0.976 96 Q CA 1.559 57.423 55.803 0.103 0.000 0.858 96 Q CB -0.095 28.715 28.738 0.119 0.000 0.907 96 Q HN 0.535 nan 8.270 nan 0.000 0.433 97 R N 0.066 120.626 120.500 0.100 0.000 2.070 97 R HA -0.237 4.103 4.340 -0.000 0.000 0.233 97 R C 2.269 178.483 176.300 -0.143 0.000 1.137 97 R CA 1.969 58.095 56.100 0.044 0.000 0.945 97 R CB -0.175 30.088 30.300 -0.062 0.000 0.845 97 R HN 0.169 nan 8.270 nan 0.000 0.430 98 Q N 0.277 119.923 119.800 -0.257 0.000 2.096 98 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 98 Q C 1.857 177.728 176.000 -0.216 0.000 0.982 98 Q CA 2.309 57.890 55.803 -0.369 0.000 0.850 98 Q CB -0.342 27.844 28.738 -0.920 0.000 0.901 98 Q HN 0.482 nan 8.270 nan 0.000 0.422 99 A N -0.067 122.657 122.820 -0.160 0.000 1.908 99 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 99 A C 1.980 179.478 177.584 -0.143 0.000 1.181 99 A CA 1.592 53.550 52.037 -0.132 0.000 0.627 99 A CB -0.861 18.096 19.000 -0.072 0.000 0.818 99 A HN 0.469 nan 8.150 nan 0.000 0.445 100 L N -0.330 120.835 121.223 -0.097 0.000 2.056 100 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 100 L C 2.311 179.120 176.870 -0.102 0.000 1.078 100 L CA 1.517 56.326 54.840 -0.052 0.000 0.749 100 L CB -0.682 41.425 42.059 0.079 0.000 0.901 100 L HN 0.405 nan 8.230 nan 0.000 0.433 101 L N -0.274 120.785 121.223 -0.273 0.000 2.042 101 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 101 L C 2.090 178.856 176.870 -0.173 0.000 1.076 101 L CA 1.254 55.798 54.840 -0.493 0.000 0.749 101 L CB -0.752 40.772 42.059 -0.892 0.000 0.893 101 L HN 0.353 nan 8.230 nan 0.000 0.432 102 N N -0.079 118.611 118.700 -0.016 0.000 2.520 102 N HA -0.090 4.650 4.740 -0.000 0.000 0.185 102 N C 1.590 177.159 175.510 0.098 0.000 1.068 102 N CA 0.861 53.973 53.050 0.103 0.000 0.911 102 N CB -0.076 38.446 38.487 0.059 0.000 0.961 102 N HN 0.366 nan 8.380 nan 0.000 0.446 103 L N 0.242 121.491 121.223 0.043 0.000 2.599 103 L HA 0.045 4.385 4.340 -0.000 0.000 0.230 103 L C 0.141 177.189 176.870 0.297 0.000 1.141 103 L CA 0.297 55.221 54.840 0.140 0.000 0.877 103 L CB 0.079 42.170 42.059 0.053 0.000 1.009 103 L HN -0.168 nan 8.230 nan 0.000 0.447 104 K N 1.570 122.102 120.400 0.221 0.000 2.187 104 K HA 0.142 4.462 4.320 -0.000 0.000 0.242 104 K C -0.488 176.409 176.600 0.495 0.000 1.179 104 K CA -0.101 56.348 56.287 0.270 0.000 1.097 104 K CB -0.708 31.875 32.500 0.138 0.000 1.634 104 K HN 0.139 nan 8.250 nan 0.000 0.335 105 Y N -1.283 119.242 120.300 0.374 0.000 2.519 105 Y HA 0.736 5.286 4.550 -0.000 0.000 0.324 105 Y C 0.727 176.853 175.900 0.378 0.000 1.214 105 Y CA -0.600 57.775 58.100 0.458 0.000 1.260 105 Y CB 1.308 40.004 38.460 0.394 0.000 1.311 105 Y HN 0.540 nan 8.280 nan 0.000 0.505 106 G N 0.480 109.577 108.800 0.495 0.000 2.280 106 G HA2 0.124 4.084 3.960 -0.000 0.000 0.277 106 G HA3 0.124 4.084 3.960 -0.000 0.000 0.277 106 G C -2.442 172.423 174.900 -0.060 0.000 1.288 106 G CA -0.681 44.484 45.100 0.108 0.000 1.075 106 G HN 0.943 nan 8.290 nan 0.000 0.480 107 L N 0.514 121.562 121.223 -0.291 0.000 2.282 107 L HA 0.885 5.225 4.340 -0.000 0.000 0.288 107 L C -1.047 175.630 176.870 -0.320 0.000 1.033 107 L CA -0.921 53.794 54.840 -0.207 0.000 0.807 107 L CB 0.442 42.373 42.059 -0.214 0.000 1.209 107 L HN 0.454 nan 8.230 nan 0.000 0.423 108 F N 2.511 122.516 119.950 0.092 0.000 2.563 108 F HA 0.457 4.984 4.527 -0.000 0.000 0.316 108 F C 0.200 176.121 175.800 0.203 0.000 1.076 108 F CA -0.697 57.386 58.000 0.137 0.000 0.921 108 F CB 1.657 40.750 39.000 0.154 0.000 1.209 108 F HN 0.445 nan 8.300 nan 0.000 0.462 109 E N 1.159 121.588 120.200 0.382 0.000 2.259 109 E HA 0.344 4.694 4.350 -0.000 0.000 0.281 109 E C -0.218 176.486 176.600 0.174 0.000 1.027 109 E CA -0.191 56.332 56.400 0.206 0.000 0.838 109 E CB 1.316 31.106 29.700 0.150 0.000 1.066 109 E HN 0.563 nan 8.360 nan 0.000 0.401 110 V N 3.362 123.259 119.914 -0.028 0.000 2.581 110 V HA 0.293 4.413 4.120 -0.000 0.000 0.240 110 V C 0.474 176.553 176.094 -0.024 0.000 1.054 110 V CA 1.183 63.441 62.300 -0.070 0.000 1.076 110 V CB 0.311 31.779 31.823 -0.591 0.000 0.748 110 V HN 0.747 nan 8.190 nan 0.000 0.474 111 A N -0.530 122.170 122.820 -0.199 0.000 2.568 111 A HA 0.643 4.963 4.320 -0.000 0.000 0.291 111 A C -0.910 176.549 177.584 -0.209 0.000 1.159 111 A CA -0.531 51.423 52.037 -0.140 0.000 0.679 111 A CB 0.866 19.753 19.000 -0.188 0.000 1.285 111 A HN 0.152 nan 8.150 nan 0.000 0.428 112 E N 0.346 120.465 120.200 -0.136 0.000 2.752 112 E HA 0.333 4.683 4.350 -0.000 0.000 0.241 112 E C 1.145 177.649 176.600 -0.160 0.000 1.016 112 E CA 1.954 58.285 56.400 -0.115 0.000 0.952 112 E CB -0.647 29.013 29.700 -0.067 0.000 0.921 112 E HN 2.216 nan 8.360 nan 0.000 0.515 113 G N 4.250 112.931 108.800 -0.200 0.000 2.153 113 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 113 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 113 G C 0.167 174.943 174.900 -0.206 0.000 0.994 113 G CA 0.271 45.320 45.100 -0.086 0.000 0.698 113 G HN 0.520 nan 8.290 nan 0.000 0.521 114 I N 0.034 120.270 120.570 -0.557 0.000 2.418 114 I HA 0.546 4.716 4.170 -0.000 0.000 0.287 114 I C -0.404 175.322 176.117 -0.651 0.000 1.008 114 I CA -1.136 59.917 61.300 -0.412 0.000 1.104 114 I CB 1.372 39.156 38.000 -0.361 0.000 1.264 114 I HN 0.034 nan 8.210 nan 0.000 0.438 115 Y N 3.977 124.319 120.300 0.069 0.000 2.536 115 Y HA 0.592 5.142 4.550 -0.000 0.000 0.347 115 Y C -0.195 175.783 175.900 0.130 0.000 1.000 115 Y CA -0.828 57.315 58.100 0.071 0.000 1.051 115 Y CB 1.804 40.260 38.460 -0.008 0.000 1.259 115 Y HN 0.419 nan 8.280 nan 0.000 0.468 116 Q N 0.854 120.845 119.800 0.319 0.000 2.397 116 Q HA 0.641 4.981 4.340 -0.000 0.000 0.275 116 Q C -1.612 174.552 176.000 0.273 0.000 1.090 116 Q CA -1.205 54.776 55.803 0.297 0.000 0.809 116 Q CB 3.370 32.267 28.738 0.265 0.000 1.362 116 Q HN 0.429 nan 8.270 nan 0.000 0.431 117 V N 2.850 122.869 119.914 0.176 0.000 2.350 117 V HA 0.406 4.526 4.120 -0.000 0.000 0.276 117 V C -0.183 175.998 176.094 0.145 0.000 1.028 117 V CA -0.459 61.863 62.300 0.038 0.000 0.860 117 V CB 0.842 32.474 31.823 -0.319 0.000 0.990 117 V HN 0.585 nan 8.190 nan 0.000 0.453 118 R N 3.016 123.719 120.500 0.338 0.000 2.668 118 R HA 0.638 4.978 4.340 -0.000 0.000 0.279 118 R C 1.026 177.643 176.300 0.529 0.000 0.976 118 R CA -0.243 56.078 56.100 0.369 0.000 0.978 118 R CB 1.493 32.007 30.300 0.356 0.000 1.133 118 R HN 0.933 nan 8.270 nan 0.000 0.484 119 G N 0.959 110.027 108.800 0.448 0.000 2.153 119 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.252 119 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.252 119 G C 0.064 175.313 174.900 0.581 0.000 0.994 119 G CA 0.078 45.504 45.100 0.543 0.000 0.698 119 G HN 0.542 nan 8.290 nan 0.000 0.521 120 F N 0.504 120.450 119.950 -0.006 0.000 2.727 120 F HA 0.402 4.929 4.527 -0.000 0.000 0.302 120 F C 1.223 176.252 175.800 -1.284 0.000 1.097 120 F CA 0.114 57.897 58.000 -0.361 0.000 1.330 120 F CB 0.520 39.440 39.000 -0.134 0.000 1.084 120 F HN 0.242 nan 8.300 nan 0.000 0.578 121 D N -2.374 117.396 120.400 -1.051 0.000 2.827 121 D HA 0.026 4.666 4.640 -0.000 0.000 0.336 121 D C 0.526 176.521 176.300 -0.509 0.000 1.374 121 D CA -0.452 52.794 54.000 -1.257 0.000 0.794 121 D CB 0.266 40.704 40.800 -0.603 0.000 1.364 121 D HN -0.097 nan 8.370 nan 0.000 0.464 122 L N 1.375 122.467 121.223 -0.218 0.000 2.042 122 L HA 0.182 4.522 4.340 -0.000 0.000 0.210 122 L C 0.922 177.903 176.870 0.184 0.000 1.076 122 L CA 2.522 57.432 54.840 0.117 0.000 0.749 122 L CB -0.672 41.498 42.059 0.186 0.000 0.893 122 L HN 0.474 nan 8.230 nan 0.000 0.432 123 A N -1.121 121.658 122.820 -0.067 0.000 2.248 123 A HA 0.514 4.834 4.320 -0.000 0.000 0.316 123 A C -0.246 177.232 177.584 -0.176 0.000 1.101 123 A CA -0.765 51.057 52.037 -0.357 0.000 0.875 123 A CB 0.225 18.801 19.000 -0.707 0.000 1.207 123 A HN 0.358 nan 8.150 nan 0.000 0.504 124 N N -0.361 118.241 118.700 -0.162 0.000 2.489 124 N HA 0.487 5.227 4.740 -0.000 0.000 0.284 124 N C -1.070 174.424 175.510 -0.026 0.000 1.158 124 N CA -0.191 52.847 53.050 -0.020 0.000 0.965 124 N CB 1.810 40.319 38.487 0.037 0.000 1.195 124 N HN 0.642 nan 8.380 nan 0.000 0.506 125 I N -0.075 120.510 120.570 0.026 0.000 2.465 125 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 125 I C -0.819 175.339 176.117 0.068 0.000 1.014 125 I CA -0.325 60.975 61.300 0.001 0.000 1.093 125 I CB 1.424 39.422 38.000 -0.004 0.000 1.267 125 I HN 0.278 nan 8.210 nan 0.000 0.431 126 T N 7.102 121.638 114.554 -0.031 0.000 2.823 126 T HA 0.539 4.889 4.350 -0.000 0.000 0.279 126 T C -0.952 173.661 174.700 -0.144 0.000 0.998 126 T CA -0.128 62.017 62.100 0.076 0.000 0.994 126 T CB 0.855 69.815 68.868 0.153 0.000 0.960 126 T HN 0.253 nan 8.240 nan 0.000 0.448 127 F N 2.462 122.389 119.950 -0.038 0.000 2.477 127 F HA 0.578 5.105 4.527 -0.000 0.000 0.335 127 F C -0.048 175.828 175.800 0.127 0.000 1.130 127 F CA -1.018 56.888 58.000 -0.157 0.000 0.948 127 F CB 1.066 39.632 39.000 -0.725 0.000 1.154 127 F HN 0.333 nan 8.300 nan 0.000 0.439 128 I N 3.556 124.380 120.570 0.424 0.000 2.389 128 I HA 0.370 4.540 4.170 -0.000 0.000 0.288 128 I C 0.096 176.600 176.117 0.645 0.000 0.999 128 I CA -0.898 60.665 61.300 0.438 0.000 1.129 128 I CB 1.709 39.893 38.000 0.307 0.000 1.288 128 I HN 0.479 nan 8.210 nan 0.000 0.444 129 R N 4.867 125.729 120.500 0.603 0.000 2.399 129 R HA 0.306 4.646 4.340 -0.000 0.000 0.324 129 R C 0.173 176.579 176.300 0.176 0.000 1.030 129 R CA 0.018 56.347 56.100 0.381 0.000 0.984 129 R CB 0.361 30.846 30.300 0.310 0.000 0.961 129 R HN 0.870 nan 8.270 nan 0.000 0.433 130 G N 2.120 110.978 108.800 0.096 0.000 2.511 130 G HA2 0.043 4.003 3.960 -0.000 0.000 0.316 130 G HA3 0.043 4.003 3.960 -0.000 0.000 0.316 130 G C 0.009 174.898 174.900 -0.019 0.000 1.210 130 G CA -0.620 44.516 45.100 0.059 0.000 0.969 130 G HN 0.668 nan 8.290 nan 0.000 0.492 131 D N -0.462 119.932 120.400 -0.009 0.000 2.178 131 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 131 D C 2.356 178.621 176.300 -0.059 0.000 0.980 131 D CA 1.914 55.895 54.000 -0.030 0.000 0.842 131 D CB 0.226 41.017 40.800 -0.015 0.000 0.948 131 D HN 0.388 nan 8.370 nan 0.000 0.472 132 S N -1.537 114.125 115.700 -0.064 0.000 2.780 132 S HA 0.516 4.986 4.470 -0.000 0.000 0.248 132 S C 0.664 175.197 174.600 -0.111 0.000 1.036 132 S CA 0.173 58.328 58.200 -0.076 0.000 1.061 132 S CB 1.504 64.678 63.200 -0.044 0.000 1.037 132 S HN 0.291 nan 8.310 nan 0.000 0.584 133 G N 0.060 108.762 108.800 -0.162 0.000 2.323 133 G HA2 0.375 4.335 3.960 -0.000 0.000 0.291 133 G HA3 0.375 4.335 3.960 -0.000 0.000 0.291 133 G C -2.076 172.700 174.900 -0.208 0.000 1.278 133 G CA -1.111 43.850 45.100 -0.232 0.000 0.860 133 G HN 0.278 nan 8.290 nan 0.000 0.504 134 W N -0.329 121.031 121.300 0.100 0.000 2.381 134 W HA 0.671 5.331 4.660 -0.000 0.000 0.329 134 W C 0.014 176.551 176.519 0.031 0.000 1.157 134 W CA -0.688 56.727 57.345 0.116 0.000 1.240 134 W CB 1.322 30.891 29.460 0.182 0.000 1.199 134 W HN 0.248 nan 8.180 nan 0.000 0.579 135 I N 2.861 123.641 120.570 0.350 0.000 2.359 135 I HA 0.276 4.446 4.170 -0.000 0.000 0.294 135 I C -0.288 175.868 176.117 0.064 0.000 0.987 135 I CA -0.653 60.737 61.300 0.151 0.000 1.225 135 I CB 0.977 39.083 38.000 0.177 0.000 1.366 135 I HN 0.010 nan 8.210 nan 0.000 0.466 136 V N 6.978 126.810 119.914 -0.135 0.000 2.417 136 V HA 0.419 4.539 4.120 -0.000 0.000 0.291 136 V C -0.242 175.716 176.094 -0.226 0.000 1.024 136 V CA -0.770 61.308 62.300 -0.370 0.000 0.861 136 V CB 1.958 33.413 31.823 -0.613 0.000 0.985 136 V HN 0.385 nan 8.190 nan 0.000 0.436 137 V N 4.710 124.523 119.914 -0.169 0.000 2.347 137 V HA 0.528 4.648 4.120 -0.000 0.000 0.280 137 V C -0.344 175.712 176.094 -0.064 0.000 1.021 137 V CA -0.347 61.916 62.300 -0.061 0.000 0.847 137 V CB 0.774 32.610 31.823 0.022 0.000 0.990 137 V HN 1.057 nan 8.190 nan 0.000 0.444 138 D N 2.996 123.398 120.400 0.003 0.000 10.807 138 D HA -0.157 4.483 4.640 -0.000 0.000 0.359 138 D C 0.541 176.836 176.300 -0.009 0.000 3.110 138 D CA 1.268 55.319 54.000 0.085 0.000 2.589 138 D CB -0.271 40.626 40.800 0.163 0.000 1.188 138 D HN 0.953 nan 8.370 nan 0.000 0.949 139 T N -2.445 112.117 114.554 0.014 0.000 3.407 139 T HA 0.496 4.846 4.350 -0.000 0.000 0.308 139 T C 0.933 175.603 174.700 -0.051 0.000 0.919 139 T CA 0.511 62.604 62.100 -0.011 0.000 0.960 139 T CB -0.162 68.754 68.868 0.081 0.000 1.193 139 T HN 0.687 nan 8.240 nan 0.000 0.568 140 L N -0.397 120.752 121.223 -0.124 0.000 5.621 140 L HA -0.243 4.097 4.340 -0.000 0.000 0.281 140 L C 1.426 178.172 176.870 -0.207 0.000 1.106 140 L CA 0.717 55.445 54.840 -0.188 0.000 1.259 140 L CB -1.548 40.431 42.059 -0.133 0.000 2.049 140 L HN 0.323 nan 8.230 nan 0.000 0.852 141 T N -2.498 111.933 114.554 -0.205 0.000 3.035 141 T HA 0.044 4.394 4.350 -0.000 0.000 0.259 141 T C 0.492 175.114 174.700 -0.129 0.000 1.078 141 T CA 1.615 63.594 62.100 -0.201 0.000 1.132 141 T CB 0.098 68.861 68.868 -0.175 0.000 0.900 141 T HN 0.606 nan 8.240 nan 0.000 0.480 142 T N 0.387 114.894 114.554 -0.079 0.000 2.923 142 T HA 0.361 4.711 4.350 -0.000 0.000 0.311 142 T C -2.407 172.295 174.700 0.004 0.000 1.183 142 T CA -1.661 60.422 62.100 -0.028 0.000 1.020 142 T CB 1.869 70.727 68.868 -0.016 0.000 1.165 142 T HN -0.302 nan 8.240 nan 0.000 0.482 143 P HA -0.055 nan 4.420 nan 0.000 0.216 143 P C 1.218 178.558 177.300 0.065 0.000 1.150 143 P CA 1.371 64.503 63.100 0.053 0.000 0.843 143 P CB 0.094 31.829 31.700 0.058 0.000 0.787 144 A N -0.608 122.248 122.820 0.059 0.000 1.969 144 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 144 A C 2.233 179.873 177.584 0.094 0.000 1.169 144 A CA 2.389 54.471 52.037 0.075 0.000 0.635 144 A CB -1.868 17.173 19.000 0.067 0.000 0.810 144 A HN 0.349 nan 8.150 nan 0.000 0.445 145 T N -2.290 112.302 114.554 0.063 0.000 2.812 145 T HA 0.138 4.488 4.350 -0.000 0.000 0.264 145 T C 2.009 176.788 174.700 0.132 0.000 1.042 145 T CA 1.453 63.596 62.100 0.071 0.000 1.140 145 T CB -0.625 68.196 68.868 -0.079 0.000 0.870 145 T HN 0.520 nan 8.240 nan 0.000 0.445 146 A N 2.346 125.216 122.820 0.084 0.000 1.883 146 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 146 A C 2.477 180.171 177.584 0.184 0.000 1.186 146 A CA 2.122 54.222 52.037 0.105 0.000 0.624 146 A CB -0.809 18.230 19.000 0.064 0.000 0.822 146 A HN 0.448 nan 8.150 nan 0.000 0.444 147 R N 0.300 120.906 120.500 0.177 0.000 2.083 147 R HA -0.050 4.290 4.340 -0.000 0.000 0.237 147 R C 2.153 178.580 176.300 0.211 0.000 1.137 147 R CA 2.123 58.349 56.100 0.211 0.000 0.951 147 R CB -1.140 29.253 30.300 0.155 0.000 0.851 147 R HN 0.400 nan 8.270 nan 0.000 0.434 148 A N 0.249 123.201 122.820 0.222 0.000 1.908 148 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 148 A C 2.400 180.178 177.584 0.324 0.000 1.181 148 A CA 1.979 54.197 52.037 0.301 0.000 0.627 148 A CB -1.111 18.111 19.000 0.370 0.000 0.818 148 A HN 0.503 nan 8.150 nan 0.000 0.445 149 A N -1.461 121.480 122.820 0.202 0.000 1.877 149 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 149 A C 2.177 179.718 177.584 -0.071 0.000 1.186 149 A CA 1.746 53.672 52.037 -0.185 0.000 0.620 149 A CB -0.844 18.079 19.000 -0.129 0.000 0.822 149 A HN 0.674 nan 8.150 nan 0.000 0.443 150 Y N 1.148 121.432 120.300 -0.026 0.000 2.224 150 Y HA -0.159 4.391 4.550 -0.000 0.000 0.289 150 Y C 2.143 177.979 175.900 -0.106 0.000 1.146 150 Y CA 1.776 59.840 58.100 -0.059 0.000 1.182 150 Y CB -0.615 37.927 38.460 0.137 0.000 0.983 150 Y HN 0.541 nan 8.280 nan 0.000 0.524 151 E N -0.577 119.593 120.200 -0.050 0.000 2.106 151 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 151 E C 2.097 178.634 176.600 -0.105 0.000 0.984 151 E CA 1.138 57.462 56.400 -0.127 0.000 0.806 151 E CB -0.372 29.310 29.700 -0.030 0.000 0.750 151 E HN 0.365 nan 8.360 nan 0.000 0.458 152 L N 0.833 122.011 121.223 -0.075 0.000 2.017 152 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 152 L C 2.250 178.997 176.870 -0.204 0.000 1.073 152 L CA 1.407 56.188 54.840 -0.099 0.000 0.745 152 L CB -0.488 41.512 42.059 -0.098 0.000 0.894 152 L HN -0.064 nan 8.230 nan 0.000 0.432 153 V N -0.507 119.202 119.914 -0.341 0.000 2.282 153 V HA -0.347 3.773 4.120 -0.000 0.000 0.249 153 V C 2.598 178.564 176.094 -0.214 0.000 1.057 153 V CA 2.145 64.174 62.300 -0.452 0.000 1.032 153 V CB -0.851 30.394 31.823 -0.963 0.000 0.645 153 V HN 0.571 nan 8.190 nan 0.000 0.447 154 S N -1.050 114.554 115.700 -0.160 0.000 2.383 154 S HA -0.148 4.322 4.470 -0.000 0.000 0.227 154 S C 2.061 176.615 174.600 -0.077 0.000 1.026 154 S CA 1.185 59.336 58.200 -0.082 0.000 0.981 154 S CB -0.290 62.794 63.200 -0.194 0.000 0.818 154 S HN 0.508 nan 8.310 nan 0.000 0.472 155 R N 0.833 121.276 120.500 -0.096 0.000 2.075 155 R HA 0.002 4.342 4.340 -0.000 0.000 0.232 155 R C 2.037 178.296 176.300 -0.067 0.000 1.126 155 R CA 1.057 57.116 56.100 -0.069 0.000 0.963 155 R CB -0.094 30.173 30.300 -0.055 0.000 0.858 155 R HN 0.361 nan 8.270 nan 0.000 0.435 156 E N 0.072 120.215 120.200 -0.094 0.000 2.190 156 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 156 E C 1.695 178.239 176.600 -0.093 0.000 0.978 156 E CA 0.784 57.126 56.400 -0.098 0.000 0.839 156 E CB 0.349 29.970 29.700 -0.131 0.000 0.787 156 E HN 0.311 nan 8.360 nan 0.000 0.473 157 L N -0.572 120.595 121.223 -0.094 0.000 2.766 157 L HA 0.333 4.673 4.340 -0.000 0.000 0.242 157 L C 0.579 177.456 176.870 0.012 0.000 1.136 157 L CA 0.056 54.862 54.840 -0.058 0.000 0.933 157 L CB 0.746 42.737 42.059 -0.115 0.000 1.241 157 L HN 0.032 nan 8.230 nan 0.000 0.522 158 G N 1.444 110.248 108.800 0.008 0.000 2.785 158 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.686 158 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.686 158 G C -0.605 174.329 174.900 0.056 0.000 1.155 158 G CA -0.751 44.354 45.100 0.008 0.000 0.760 158 G HN 0.167 nan 8.290 nan 0.000 0.624 159 E N 0.940 121.155 120.200 0.025 0.000 2.360 159 E HA 0.489 4.839 4.350 -0.000 0.000 0.269 159 E C 0.534 177.166 176.600 0.053 0.000 1.022 159 E CA -0.139 56.294 56.400 0.056 0.000 0.887 159 E CB 0.346 30.044 29.700 -0.004 0.000 0.990 159 E HN 0.576 nan 8.360 nan 0.000 0.426 160 R N 4.261 124.843 120.500 0.137 0.000 2.584 160 R HA 0.361 4.701 4.340 -0.000 0.000 0.276 160 R C -2.657 173.744 176.300 0.169 0.000 1.046 160 R CA -2.152 53.927 56.100 -0.034 0.000 0.906 160 R CB 1.292 31.304 30.300 -0.479 0.000 1.215 160 R HN 0.425 nan 8.270 nan 0.000 0.449 161 P HA 0.064 nan 4.420 nan 0.000 0.267 161 P C -0.237 177.174 177.300 0.186 0.000 1.200 161 P CA 0.066 63.273 63.100 0.179 0.000 0.772 161 P CB 0.642 32.391 31.700 0.081 0.000 0.855 162 I N 3.503 124.185 120.570 0.186 0.000 2.352 162 I HA 0.168 4.338 4.170 -0.000 0.000 0.290 162 I C 1.762 177.905 176.117 0.043 0.000 1.036 162 I CA -0.247 61.122 61.300 0.115 0.000 1.336 162 I CB 0.859 38.830 38.000 -0.049 0.000 1.407 162 I HN 0.261 nan 8.210 nan 0.000 0.497 163 R N 3.114 123.634 120.500 0.033 0.000 2.254 163 R HA 0.216 4.556 4.340 -0.000 0.000 0.193 163 R C -0.166 176.102 176.300 -0.054 0.000 0.929 163 R CA 0.460 56.554 56.100 -0.010 0.000 1.038 163 R CB 0.516 30.812 30.300 -0.008 0.000 1.009 163 R HN 0.535 nan 8.270 nan 0.000 0.512 164 T N 0.854 115.365 114.554 -0.071 0.000 2.993 164 T HA 0.363 4.713 4.350 -0.000 0.000 0.312 164 T C -1.043 173.551 174.700 -0.177 0.000 1.115 164 T CA -0.439 61.577 62.100 -0.139 0.000 1.027 164 T CB 3.042 71.813 68.868 -0.162 0.000 1.116 164 T HN -0.262 nan 8.240 nan 0.000 0.464 165 V N 4.009 123.771 119.914 -0.253 0.000 2.495 165 V HA 0.592 4.712 4.120 -0.000 0.000 0.298 165 V C -0.481 175.361 176.094 -0.420 0.000 1.031 165 V CA -0.786 61.324 62.300 -0.318 0.000 0.871 165 V CB 1.676 33.294 31.823 -0.342 0.000 0.988 165 V HN 0.771 nan 8.190 nan 0.000 0.432 166 I N 4.586 124.955 120.570 -0.335 0.000 2.406 166 I HA 0.430 4.600 4.170 -0.000 0.000 0.290 166 I C -1.001 174.985 176.117 -0.218 0.000 0.999 166 I CA -0.550 60.568 61.300 -0.304 0.000 1.124 166 I CB 1.532 39.471 38.000 -0.103 0.000 1.289 166 I HN 0.532 nan 8.210 nan 0.000 0.441 167 Y N 4.247 124.424 120.300 -0.205 0.000 2.383 167 Y HA 0.082 4.632 4.550 -0.000 0.000 0.344 167 Y C 1.665 177.522 175.900 -0.070 0.000 0.986 167 Y CA -0.675 57.337 58.100 -0.146 0.000 1.175 167 Y CB 1.379 39.633 38.460 -0.344 0.000 1.152 167 Y HN 0.707 nan 8.280 nan 0.000 0.511 168 S N 1.831 117.623 115.700 0.153 0.000 2.428 168 S HA -0.097 4.373 4.470 -0.000 0.000 0.230 168 S C 0.288 174.993 174.600 0.175 0.000 1.014 168 S CA 1.108 59.381 58.200 0.121 0.000 0.957 168 S CB -0.347 62.905 63.200 0.087 0.000 0.784 168 S HN 0.875 nan 8.310 nan 0.000 0.499 169 H N -2.040 117.048 119.070 0.029 0.000 2.935 169 H HA 0.513 5.069 4.556 -0.000 0.000 0.297 169 H C -1.412 174.004 175.328 0.146 0.000 1.423 169 H CA -0.425 55.620 56.048 -0.005 0.000 1.161 169 H CB 0.870 30.482 29.762 -0.249 0.000 1.841 169 H HN 0.098 nan 8.280 nan 0.000 0.506 170 A N 1.941 124.730 122.820 -0.051 0.000 3.202 170 A HA 0.285 4.605 4.320 -0.000 0.000 0.258 170 A C -0.648 176.962 177.584 0.042 0.000 1.572 170 A CA -0.222 51.719 52.037 -0.159 0.000 1.241 170 A CB -1.353 17.346 19.000 -0.502 0.000 1.127 170 A HN 0.602 nan 8.150 nan 0.000 0.648 171 H N -0.847 118.243 119.070 0.034 0.000 2.622 171 H HA 0.460 5.016 4.556 -0.000 0.000 0.363 171 H C 1.229 176.252 175.328 -0.508 0.000 1.151 171 H CA -0.514 55.525 56.048 -0.016 0.000 1.184 171 H CB 2.124 31.949 29.762 0.106 0.000 1.643 171 H HN 0.374 nan 8.280 nan 0.000 0.531 172 A N 1.681 124.127 122.820 -0.622 0.000 2.024 172 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 172 A C 1.652 178.808 177.584 -0.714 0.000 1.164 172 A CA 1.780 53.096 52.037 -1.202 0.000 0.643 172 A CB -0.341 18.314 19.000 -0.575 0.000 0.806 172 A HN 0.873 nan 8.150 nan 0.000 0.451 173 D N -1.712 118.462 120.400 -0.376 0.000 2.363 173 D HA -0.111 4.529 4.640 -0.000 0.000 0.226 173 D C 1.043 176.912 176.300 -0.718 0.000 1.020 173 D CA 0.817 54.573 54.000 -0.406 0.000 0.892 173 D CB -0.509 40.160 40.800 -0.217 0.000 0.900 173 D HN 0.685 nan 8.370 nan 0.000 0.531 174 H N -0.780 118.113 119.070 -0.294 0.000 2.657 174 H HA 0.101 4.657 4.556 -0.000 0.000 0.262 174 H C 1.208 176.475 175.328 -0.100 0.000 0.965 174 H CA 0.413 56.349 56.048 -0.188 0.000 1.184 174 H CB 0.099 29.722 29.762 -0.231 0.000 1.443 174 H HN 0.249 nan 8.280 nan 0.000 0.462 175 F N -0.148 119.762 119.950 -0.067 0.000 2.731 175 F HA 0.461 4.988 4.527 -0.000 0.000 0.298 175 F C 2.065 177.822 175.800 -0.071 0.000 1.106 175 F CA 0.242 58.121 58.000 -0.202 0.000 1.329 175 F CB -0.608 38.069 39.000 -0.539 0.000 1.100 175 F HN -0.080 nan 8.300 nan 0.000 0.592 176 G N 0.947 109.569 108.800 -0.296 0.000 2.432 176 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.219 176 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.219 176 G C 1.667 176.567 174.900 0.000 0.000 1.135 176 G CA 0.678 45.685 45.100 -0.156 0.000 0.767 176 G HN 0.597 nan 8.290 nan 0.000 0.550 177 G N -0.450 108.349 108.800 -0.002 0.000 3.189 177 G HA2 0.194 4.154 3.960 -0.000 0.000 0.225 177 G HA3 0.194 4.154 3.960 -0.000 0.000 0.225 177 G C 1.335 176.278 174.900 0.072 0.000 1.159 177 G CA 0.566 45.681 45.100 0.025 0.000 0.763 177 G HN 0.265 nan 8.290 nan 0.000 0.549 178 V N 0.830 120.821 119.914 0.129 0.000 2.380 178 V HA -0.179 3.941 4.120 -0.000 0.000 0.251 178 V C 2.703 178.854 176.094 0.094 0.000 1.063 178 V CA 1.927 64.313 62.300 0.143 0.000 1.055 178 V CB -0.278 31.708 31.823 0.273 0.000 0.657 178 V HN 0.440 nan 8.190 nan 0.000 0.455 179 R N -0.260 120.297 120.500 0.094 0.000 2.285 179 R HA -0.025 4.315 4.340 -0.000 0.000 0.213 179 R C 2.118 178.464 176.300 0.077 0.000 1.068 179 R CA 0.839 56.985 56.100 0.076 0.000 1.004 179 R CB -0.549 29.794 30.300 0.071 0.000 0.873 179 R HN 0.632 nan 8.270 nan 0.000 0.467 180 G N 0.008 108.857 108.800 0.081 0.000 2.650 180 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.214 180 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.214 180 G C 1.212 176.188 174.900 0.127 0.000 1.136 180 G CA 0.201 45.361 45.100 0.101 0.000 0.789 180 G HN 0.162 nan 8.290 nan 0.000 0.536 181 L N -0.626 120.649 121.223 0.085 0.000 2.547 181 L HA 0.307 4.647 4.340 -0.000 0.000 0.218 181 L C 0.484 177.383 176.870 0.048 0.000 1.048 181 L CA 0.077 54.949 54.840 0.053 0.000 0.859 181 L CB 0.533 42.557 42.059 -0.058 0.000 1.128 181 L HN 0.116 nan 8.230 nan 0.000 0.483 182 V N -2.402 117.536 119.914 0.040 0.000 3.159 182 V HA 0.599 4.719 4.120 -0.000 0.000 0.308 182 V C -1.355 174.764 176.094 0.040 0.000 1.190 182 V CA -0.798 61.521 62.300 0.032 0.000 1.037 182 V CB 2.040 33.858 31.823 -0.009 0.000 1.060 182 V HN 0.308 nan 8.190 nan 0.000 0.437 183 E N 1.458 121.679 120.200 0.035 0.000 2.277 183 E HA 0.606 4.956 4.350 -0.000 0.000 0.266 183 E C -2.555 174.057 176.600 0.021 0.000 0.901 183 E CA -2.096 54.324 56.400 0.034 0.000 0.782 183 E CB 2.143 31.865 29.700 0.038 0.000 1.228 183 E HN 0.344 nan 8.360 nan 0.000 0.424 184 P HA -0.305 nan 4.420 nan 0.000 0.217 184 P C 1.407 178.711 177.300 0.007 0.000 1.151 184 P CA 1.446 64.554 63.100 0.012 0.000 0.849 184 P CB 0.115 31.825 31.700 0.016 0.000 0.787 185 Q N 0.305 120.112 119.800 0.011 0.000 2.135 185 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 185 Q C 1.958 177.960 176.000 0.004 0.000 0.981 185 Q CA 1.888 57.696 55.803 0.009 0.000 0.856 185 Q CB -0.528 28.218 28.738 0.013 0.000 0.902 185 Q HN 0.385 nan 8.270 nan 0.000 0.425 186 Q N -0.440 119.363 119.800 0.006 0.000 2.119 186 Q HA -0.070 4.270 4.340 -0.000 0.000 0.201 186 Q C 2.292 178.283 176.000 -0.014 0.000 0.972 186 Q CA 1.499 57.302 55.803 0.000 0.000 0.847 186 Q CB 0.129 28.871 28.738 0.005 0.000 0.903 186 Q HN 0.212 nan 8.270 nan 0.000 0.433 187 V N 0.923 120.826 119.914 -0.018 0.000 2.358 187 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 187 V C 2.236 178.314 176.094 -0.027 0.000 1.047 187 V CA 1.828 64.109 62.300 -0.032 0.000 1.035 187 V CB -0.892 30.910 31.823 -0.035 0.000 0.658 187 V HN 0.389 nan 8.190 nan 0.000 0.452 188 A N 0.730 123.540 122.820 -0.016 0.000 1.930 188 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 188 A C 2.478 180.054 177.584 -0.013 0.000 1.175 188 A CA 2.051 54.080 52.037 -0.013 0.000 0.627 188 A CB -0.646 18.351 19.000 -0.006 0.000 0.815 188 A HN 0.683 nan 8.150 nan 0.000 0.443 189 S N -1.917 113.776 115.700 -0.011 0.000 2.481 189 S HA 0.312 4.782 4.470 -0.000 0.000 0.231 189 S C 1.548 176.139 174.600 -0.015 0.000 0.996 189 S CA 1.204 59.398 58.200 -0.010 0.000 0.942 189 S CB -0.387 62.810 63.200 -0.005 0.000 0.768 189 S HN 1.931 nan 8.310 nan 0.000 0.520 190 G N 0.596 109.383 108.800 -0.022 0.000 2.157 190 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.248 190 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.248 190 G C 0.947 175.830 174.900 -0.029 0.000 0.979 190 G CA 0.234 45.316 45.100 -0.029 0.000 0.650 190 G HN 1.152 nan 8.290 nan 0.000 0.529 191 A N -1.020 121.787 122.820 -0.021 0.000 1.933 191 A HA 0.478 4.798 4.320 -0.000 0.000 0.218 191 A C 1.262 178.830 177.584 -0.026 0.000 1.175 191 A CA 1.980 54.007 52.037 -0.017 0.000 0.628 191 A CB 0.159 19.156 19.000 -0.005 0.000 0.814 191 A HN 1.167 nan 8.150 nan 0.000 0.444 192 V N 0.503 120.394 119.914 -0.038 0.000 2.604 192 V HA 0.313 4.433 4.120 -0.000 0.000 0.305 192 V C -0.653 175.390 176.094 -0.086 0.000 1.043 192 V CA -0.748 61.517 62.300 -0.059 0.000 0.888 192 V CB 1.655 33.444 31.823 -0.056 0.000 0.995 192 V HN 0.568 nan 8.190 nan 0.000 0.429 193 Q N 3.887 123.618 119.800 -0.115 0.000 2.226 193 Q HA 0.709 5.049 4.340 -0.000 0.000 0.256 193 Q C -1.199 174.668 176.000 -0.220 0.000 0.962 193 Q CA -0.627 55.085 55.803 -0.151 0.000 0.887 193 Q CB 2.859 31.505 28.738 -0.153 0.000 1.282 193 Q HN 0.601 nan 8.270 nan 0.000 0.449 194 I N 2.702 123.113 120.570 -0.265 0.000 2.439 194 I HA 0.364 4.534 4.170 -0.000 0.000 0.285 194 I C -0.876 174.982 176.117 -0.430 0.000 1.021 194 I CA -0.772 60.278 61.300 -0.416 0.000 1.091 194 I CB 1.304 39.037 38.000 -0.444 0.000 1.242 194 I HN 0.375 nan 8.210 nan 0.000 0.439 195 I N 5.098 125.373 120.570 -0.492 0.000 2.412 195 I HA 0.788 4.958 4.170 -0.000 0.000 0.296 195 I C 0.234 176.062 176.117 -0.482 0.000 0.987 195 I CA -0.416 60.613 61.300 -0.451 0.000 1.180 195 I CB 1.529 39.249 38.000 -0.466 0.000 1.340 195 I HN 0.649 nan 8.210 nan 0.000 0.455 196 A N 8.003 130.585 122.820 -0.396 0.000 2.609 196 A HA 0.878 5.198 4.320 -0.000 0.000 0.291 196 A C -2.904 174.564 177.584 -0.193 0.000 1.096 196 A CA -1.269 50.590 52.037 -0.296 0.000 0.684 196 A CB 2.061 20.820 19.000 -0.402 0.000 1.282 196 A HN 0.461 nan 8.150 nan 0.000 0.412 197 P HA 0.376 nan 4.420 nan 0.000 0.271 197 P C 0.153 177.458 177.300 0.008 0.000 1.216 197 P CA 0.363 63.435 63.100 -0.046 0.000 0.776 197 P CB 0.846 32.543 31.700 -0.005 0.000 0.881 198 A N 2.701 125.507 122.820 -0.024 0.000 2.587 198 A HA 0.352 4.672 4.320 -0.000 0.000 0.233 198 A C 1.568 179.165 177.584 0.021 0.000 1.049 198 A CA 1.007 53.044 52.037 -0.000 0.000 0.754 198 A CB -1.479 17.512 19.000 -0.015 0.000 0.977 198 A HN 0.912 nan 8.150 nan 0.000 0.509 199 G N 0.681 109.499 108.800 0.031 0.000 2.199 199 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.254 199 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.254 199 G C 0.788 175.696 174.900 0.013 0.000 0.982 199 G CA 0.933 46.040 45.100 0.012 0.000 0.632 199 G HN 1.452 nan 8.290 nan 0.000 0.529 200 F N 1.199 121.110 119.950 -0.064 0.000 2.065 200 F HA -0.098 4.429 4.527 -0.000 0.000 0.298 200 F C 2.697 178.428 175.800 -0.116 0.000 1.112 200 F CA 2.862 60.814 58.000 -0.081 0.000 1.212 200 F CB -0.137 38.831 39.000 -0.052 0.000 0.975 200 F HN 0.188 nan 8.300 nan 0.000 0.476 201 M N 0.295 119.874 119.600 -0.034 0.000 2.132 201 M HA -0.187 4.293 4.480 -0.000 0.000 0.263 201 M C 2.232 178.397 176.300 -0.226 0.000 1.065 201 M CA 1.892 57.101 55.300 -0.152 0.000 1.122 201 M CB -1.495 31.118 32.600 0.022 0.000 1.365 201 M HN 0.398 nan 8.290 nan 0.000 0.411 202 E N 0.397 120.517 120.200 -0.133 0.000 2.033 202 E HA -0.195 4.155 4.350 -0.000 0.000 0.199 202 E C 1.929 178.434 176.600 -0.159 0.000 1.011 202 E CA 1.854 58.188 56.400 -0.110 0.000 0.815 202 E CB -0.073 29.593 29.700 -0.056 0.000 0.755 202 E HN 0.412 nan 8.360 nan 0.000 0.451 203 A N 0.844 123.546 122.820 -0.196 0.000 2.019 203 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 203 A C 2.354 179.793 177.584 -0.242 0.000 1.164 203 A CA 1.701 53.627 52.037 -0.184 0.000 0.644 203 A CB -0.733 18.165 19.000 -0.169 0.000 0.805 203 A HN 0.462 nan 8.150 nan 0.000 0.449 204 A N -0.503 122.021 122.820 -0.492 0.000 1.972 204 A HA 0.007 4.327 4.320 -0.000 0.000 0.219 204 A C 1.903 179.364 177.584 -0.204 0.000 1.169 204 A CA 1.726 53.433 52.037 -0.551 0.000 0.635 204 A CB -0.258 17.994 19.000 -1.246 0.000 0.810 204 A HN 0.417 nan 8.150 nan 0.000 0.446 205 I N -1.402 119.050 120.570 -0.196 0.000 3.194 205 I HA 0.040 4.210 4.170 -0.000 0.000 0.271 205 I C 2.098 178.180 176.117 -0.058 0.000 1.150 205 I CA 0.811 62.049 61.300 -0.104 0.000 1.440 205 I CB -1.280 36.647 38.000 -0.122 0.000 1.276 205 I HN 0.301 nan 8.210 nan 0.000 0.457 206 K N 1.801 122.167 120.400 -0.057 0.000 2.015 206 K HA -0.249 4.071 4.320 -0.000 0.000 0.216 206 K C 1.857 178.454 176.600 -0.005 0.000 1.052 206 K CA 2.452 58.723 56.287 -0.026 0.000 0.937 206 K CB -0.138 32.352 32.500 -0.017 0.000 0.719 206 K HN 0.476 nan 8.250 nan 0.000 0.446 207 E N -0.342 119.866 120.200 0.013 0.000 2.401 207 E HA -0.167 4.183 4.350 -0.000 0.000 0.199 207 E C 0.801 177.415 176.600 0.024 0.000 1.023 207 E CA 0.974 57.395 56.400 0.035 0.000 0.859 207 E CB -0.136 29.604 29.700 0.068 0.000 0.780 207 E HN 0.361 nan 8.360 nan 0.000 0.523 208 N N 0.597 119.300 118.700 0.004 0.000 2.280 208 N HA 0.035 4.775 4.740 -0.000 0.000 0.192 208 N C 1.429 176.905 175.510 -0.056 0.000 1.109 208 N CA 0.269 53.310 53.050 -0.013 0.000 0.855 208 N CB 1.074 39.556 38.487 -0.008 0.000 0.974 208 N HN 0.084 nan 8.380 nan 0.000 0.482 209 V N 1.171 121.042 119.914 -0.072 0.000 2.391 209 V HA 0.028 4.148 4.120 -0.000 0.000 0.237 209 V C 2.339 178.375 176.094 -0.096 0.000 1.046 209 V CA 0.702 62.904 62.300 -0.164 0.000 1.053 209 V CB -0.287 31.446 31.823 -0.151 0.000 0.704 209 V HN 0.110 nan 8.190 nan 0.000 0.475 210 L N 0.333 121.575 121.223 0.031 0.000 2.093 210 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 210 L C 1.906 178.852 176.870 0.127 0.000 1.085 210 L CA 1.579 56.510 54.840 0.152 0.000 0.755 210 L CB -0.452 41.682 42.059 0.124 0.000 0.904 210 L HN 0.390 nan 8.230 nan 0.000 0.435 211 A N -0.477 122.370 122.820 0.045 0.000 2.713 211 A HA 0.410 4.730 4.320 -0.000 0.000 0.296 211 A C 1.687 179.267 177.584 -0.006 0.000 1.255 211 A CA 0.330 52.367 52.037 -0.000 0.000 0.955 211 A CB -0.305 18.687 19.000 -0.014 0.000 1.149 211 A HN 0.326 nan 8.150 nan 0.000 0.538 212 G N 0.544 109.351 108.800 0.011 0.000 2.408 212 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 212 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 212 G C 1.439 176.357 174.900 0.030 0.000 1.150 212 G CA 1.059 46.160 45.100 0.001 0.000 0.776 212 G HN 0.617 nan 8.290 nan 0.000 0.542 213 N N 0.947 119.679 118.700 0.054 0.000 2.142 213 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 213 N C 2.581 178.102 175.510 0.019 0.000 1.023 213 N CA 1.117 54.210 53.050 0.071 0.000 0.852 213 N CB -0.123 38.435 38.487 0.119 0.000 0.998 213 N HN 0.231 nan 8.380 nan 0.000 0.424 214 A N 1.590 124.416 122.820 0.011 0.000 1.865 214 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 214 A C 2.328 179.933 177.584 0.034 0.000 1.191 214 A CA 1.509 53.597 52.037 0.085 0.000 0.623 214 A CB -0.637 18.325 19.000 -0.064 0.000 0.826 214 A HN 0.344 nan 8.150 nan 0.000 0.444 215 M N -1.136 118.462 119.600 -0.005 0.000 2.080 215 M HA -0.176 4.304 4.480 -0.000 0.000 0.260 215 M C 2.445 178.729 176.300 -0.026 0.000 1.068 215 M CA 1.878 57.172 55.300 -0.009 0.000 1.109 215 M CB -0.469 32.135 32.600 0.005 0.000 1.342 215 M HN 0.420 nan 8.290 nan 0.000 0.405 216 M N -0.983 118.605 119.600 -0.020 0.000 2.175 216 M HA -0.170 4.310 4.480 -0.000 0.000 0.264 216 M C 2.251 178.486 176.300 -0.109 0.000 1.063 216 M CA 1.369 56.687 55.300 0.030 0.000 1.119 216 M CB -0.540 32.178 32.600 0.197 0.000 1.377 216 M HN 0.154 nan 8.290 nan 0.000 0.415 217 R N 0.962 121.137 120.500 -0.542 0.000 2.073 217 R HA -0.032 4.308 4.340 -0.000 0.000 0.229 217 R C 1.927 177.895 176.300 -0.553 0.000 1.120 217 R CA 1.669 57.124 56.100 -1.074 0.000 0.967 217 R CB -0.367 28.857 30.300 -1.794 0.000 0.862 217 R HN 0.218 nan 8.270 nan 0.000 0.436 218 R N -0.204 120.094 120.500 -0.336 0.000 2.120 218 R HA 0.013 4.353 4.340 -0.000 0.000 0.234 218 R C 2.112 178.368 176.300 -0.074 0.000 1.123 218 R CA 1.279 57.245 56.100 -0.223 0.000 0.975 218 R CB -0.370 29.861 30.300 -0.114 0.000 0.866 218 R HN 0.313 nan 8.270 nan 0.000 0.446 219 A N 0.725 123.547 122.820 0.004 0.000 2.121 219 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 219 A C 2.137 179.880 177.584 0.265 0.000 1.154 219 A CA 1.716 53.863 52.037 0.183 0.000 0.679 219 A CB -0.747 18.370 19.000 0.195 0.000 0.795 219 A HN 0.498 nan 8.150 nan 0.000 0.458 220 T N -3.668 110.995 114.554 0.182 0.000 2.833 220 T HA -0.192 4.158 4.350 -0.000 0.000 0.269 220 T C 1.714 176.639 174.700 0.376 0.000 1.054 220 T CA 1.477 63.746 62.100 0.281 0.000 1.135 220 T CB -0.515 68.540 68.868 0.311 0.000 0.869 220 T HN 0.392 nan 8.240 nan 0.000 0.466 221 Y N 1.990 122.332 120.300 0.070 0.000 2.153 221 Y HA 0.091 4.641 4.550 -0.000 0.000 0.289 221 Y C 2.972 178.887 175.900 0.026 0.000 1.127 221 Y CA 0.493 58.615 58.100 0.036 0.000 1.131 221 Y CB -0.760 37.688 38.460 -0.019 0.000 0.995 221 Y HN 0.174 nan 8.280 nan 0.000 0.505 222 Q N -1.044 118.859 119.800 0.171 0.000 2.170 222 Q HA -0.192 4.148 4.340 -0.000 0.000 0.203 222 Q C 1.776 177.712 176.000 -0.106 0.000 0.976 222 Q CA 1.521 57.317 55.803 -0.011 0.000 0.858 222 Q CB -0.644 28.032 28.738 -0.103 0.000 0.907 222 Q HN 0.622 nan 8.270 nan 0.000 0.433 223 Y N -0.436 119.929 120.300 0.108 0.000 2.462 223 Y HA 0.243 4.793 4.550 -0.000 0.000 0.261 223 Y C 1.289 177.254 175.900 0.108 0.000 1.146 223 Y CA 0.255 58.424 58.100 0.115 0.000 1.283 223 Y CB 0.361 38.887 38.460 0.109 0.000 1.090 223 Y HN 0.208 nan 8.280 nan 0.000 0.526 224 G N 1.096 110.011 108.800 0.192 0.000 2.371 224 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.299 224 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.299 224 G C 1.029 175.994 174.900 0.107 0.000 1.014 224 G CA 0.756 45.921 45.100 0.109 0.000 1.097 224 G HN 0.486 nan 8.290 nan 0.000 0.512 225 T N -3.343 111.305 114.554 0.156 0.000 2.962 225 T HA -0.047 4.303 4.350 -0.000 0.000 0.270 225 T C 1.791 176.521 174.700 0.050 0.000 1.088 225 T CA 1.774 63.953 62.100 0.131 0.000 1.127 225 T CB -0.036 68.937 68.868 0.174 0.000 0.883 225 T HN 0.592 nan 8.240 nan 0.000 0.493 226 Q N 0.330 120.110 119.800 -0.033 0.000 2.319 226 Q HA 0.394 4.734 4.340 -0.000 0.000 0.202 226 Q C 0.002 175.777 176.000 -0.374 0.000 0.896 226 Q CA -0.147 55.517 55.803 -0.233 0.000 0.942 226 Q CB 0.183 28.672 28.738 -0.415 0.000 1.083 226 Q HN 0.523 nan 8.270 nan 0.000 0.510 227 L N 2.577 123.680 121.223 -0.201 0.000 2.357 227 L HA 0.400 4.740 4.340 -0.000 0.000 0.273 227 L C -1.941 174.882 176.870 -0.077 0.000 1.080 227 L CA -2.202 52.550 54.840 -0.147 0.000 0.803 227 L CB 0.345 42.376 42.059 -0.047 0.000 1.174 227 L HN -0.050 nan 8.230 nan 0.000 0.443 228 P HA 0.141 nan 4.420 nan 0.000 0.274 228 P C -1.188 176.075 177.300 -0.062 0.000 1.237 228 P CA -0.633 62.430 63.100 -0.062 0.000 0.793 228 P CB 0.682 32.348 31.700 -0.056 0.000 0.977 229 K N 0.584 120.922 120.400 -0.103 0.000 2.349 229 K HA 0.620 4.940 4.320 -0.000 0.000 0.288 229 K C 0.593 177.083 176.600 -0.184 0.000 1.058 229 K CA 0.478 56.703 56.287 -0.104 0.000 0.953 229 K CB 0.068 32.386 32.500 -0.303 0.000 0.997 229 K HN 0.863 nan 8.250 nan 0.000 0.477 230 G N 2.837 111.458 108.800 -0.298 0.000 2.316 230 G HA2 0.120 4.080 3.960 -0.000 0.000 0.296 230 G HA3 0.120 4.080 3.960 -0.000 0.000 0.296 230 G C -2.522 171.944 174.900 -0.723 0.000 1.399 230 G CA -1.001 43.529 45.100 -0.950 0.000 0.833 230 G HN 0.258 nan 8.290 nan 0.000 0.565 231 P HA -0.011 nan 4.420 nan 0.000 0.222 231 P C 0.933 178.168 177.300 -0.108 0.000 1.147 231 P CA 1.236 64.181 63.100 -0.259 0.000 0.790 231 P CB 0.245 31.819 31.700 -0.211 0.000 0.780 232 Q N -1.107 118.644 119.800 -0.081 0.000 2.172 232 Q HA 0.357 4.697 4.340 -0.000 0.000 0.217 232 Q C 0.920 177.012 176.000 0.153 0.000 0.832 232 Q CA -0.273 55.598 55.803 0.112 0.000 1.010 232 Q CB 0.927 29.747 28.738 0.137 0.000 1.133 232 Q HN 0.162 nan 8.270 nan 0.000 0.489 233 G N -0.246 108.596 108.800 0.070 0.000 3.264 233 G HA2 0.135 4.095 3.960 -0.000 0.000 0.168 233 G HA3 0.135 4.095 3.960 -0.000 0.000 0.168 233 G C -1.027 173.950 174.900 0.128 0.000 1.145 233 G CA -0.303 44.845 45.100 0.080 0.000 0.855 233 G HN 0.005 nan 8.290 nan 0.000 0.629 234 Q N 0.354 120.229 119.800 0.124 0.000 2.314 234 Q HA 0.321 4.661 4.340 -0.000 0.000 0.258 234 Q C 0.778 176.975 176.000 0.328 0.000 0.954 234 Q CA 0.083 56.005 55.803 0.197 0.000 0.890 234 Q CB 1.628 30.469 28.738 0.172 0.000 1.210 234 Q HN 0.619 nan 8.270 nan 0.000 0.410 235 V N 0.029 120.161 119.914 0.364 0.000 3.497 235 V HA 0.448 4.568 4.120 -0.000 0.000 0.272 235 V C -0.065 176.173 176.094 0.240 0.000 1.474 235 V CA 0.462 63.040 62.300 0.462 0.000 1.025 235 V CB 1.060 33.114 31.823 0.385 0.000 0.820 235 V HN 0.697 nan 8.190 nan 0.000 0.437 236 D N -1.367 119.136 120.400 0.171 0.000 2.807 236 D HA 0.471 5.111 4.640 -0.000 0.000 0.279 236 D C -0.862 175.500 176.300 0.103 0.000 1.247 236 D CA -0.248 53.773 54.000 0.036 0.000 0.749 236 D CB 1.708 42.502 40.800 -0.012 0.000 1.264 236 D HN 0.019 nan 8.370 nan 0.000 0.421 237 M N 2.008 121.660 119.600 0.087 0.000 2.875 237 M HA 0.661 5.141 4.480 -0.000 0.000 0.403 237 M C 0.494 176.842 176.300 0.080 0.000 1.304 237 M CA 0.819 56.183 55.300 0.107 0.000 0.854 237 M CB -0.324 32.372 32.600 0.159 0.000 1.415 237 M HN 0.791 nan 8.290 nan 0.000 0.505 238 A N 0.333 123.184 122.820 0.051 0.000 1.344 238 A HA -0.317 4.003 4.320 -0.000 0.000 0.222 238 A C 1.176 178.729 177.584 -0.051 0.000 0.391 238 A CA 2.101 54.161 52.037 0.038 0.000 1.096 238 A CB -2.345 16.769 19.000 0.190 0.000 1.468 238 A HN 1.012 nan 8.150 nan 0.000 0.722 239 I N -2.292 118.162 120.570 -0.193 0.000 3.684 239 I HA 0.569 4.739 4.170 -0.000 0.000 0.304 239 I C 0.910 177.027 176.117 0.001 0.000 1.278 239 I CA 0.828 61.966 61.300 -0.270 0.000 1.272 239 I CB -0.108 37.408 38.000 -0.807 0.000 1.029 239 I HN 1.373 nan 8.210 nan 0.000 0.458 240 G N 0.652 109.492 108.800 0.066 0.000 2.342 240 G HA2 0.184 4.144 3.960 -0.000 0.000 0.297 240 G HA3 0.184 4.144 3.960 -0.000 0.000 0.297 240 G C -0.352 174.644 174.900 0.161 0.000 1.313 240 G CA -0.515 44.696 45.100 0.185 0.000 0.830 240 G HN -0.222 nan 8.290 nan 0.000 0.506 241 K N -0.430 120.103 120.400 0.222 0.000 2.148 241 K HA 0.298 4.618 4.320 -0.000 0.000 0.204 241 K C 1.247 177.980 176.600 0.222 0.000 1.050 241 K CA 1.391 57.718 56.287 0.067 0.000 0.942 241 K CB -0.204 32.250 32.500 -0.076 0.000 0.724 241 K HN 1.394 nan 8.250 nan 0.000 0.446 242 G N -0.236 108.818 108.800 0.422 0.000 2.327 242 G HA2 0.264 4.224 3.960 -0.000 0.000 0.291 242 G HA3 0.264 4.224 3.960 -0.000 0.000 0.291 242 G C -2.212 173.038 174.900 0.584 0.000 1.290 242 G CA -0.882 44.494 45.100 0.460 0.000 0.857 242 G HN 0.004 nan 8.290 nan 0.000 0.520 243 L N 1.103 122.607 121.223 0.470 0.000 2.322 243 L HA 0.849 5.189 4.340 -0.000 0.000 0.281 243 L C 0.922 177.999 176.870 0.345 0.000 1.014 243 L CA -0.218 54.798 54.840 0.293 0.000 0.815 243 L CB 1.048 43.149 42.059 0.071 0.000 1.247 243 L HN 1.395 nan 8.230 nan 0.000 0.421 244 A N 5.276 128.234 122.820 0.229 0.000 2.425 244 A HA 0.574 4.894 4.320 -0.000 0.000 0.242 244 A C -0.244 177.416 177.584 0.128 0.000 1.077 244 A CA -0.285 51.919 52.037 0.279 0.000 0.781 244 A CB 0.123 19.154 19.000 0.051 0.000 1.020 244 A HN 0.636 nan 8.150 nan 0.000 0.494 245 R N 0.833 121.410 120.500 0.128 0.000 2.393 245 R HA 0.712 5.052 4.340 -0.000 0.000 0.315 245 R C 0.095 176.417 176.300 0.038 0.000 0.952 245 R CA 0.192 56.322 56.100 0.051 0.000 0.842 245 R CB 1.019 31.345 30.300 0.042 0.000 1.163 245 R HN 1.263 nan 8.270 nan 0.000 0.450 246 G N 2.441 111.247 108.800 0.010 0.000 2.340 246 G HA2 0.307 4.267 3.960 -0.000 0.000 0.299 246 G HA3 0.307 4.267 3.960 -0.000 0.000 0.299 246 G C -3.081 171.818 174.900 -0.002 0.000 1.291 246 G CA -0.862 44.244 45.100 0.011 0.000 0.841 246 G HN 0.227 nan 8.290 nan 0.000 0.500 247 P HA 0.207 nan 4.420 nan 0.000 0.264 247 P C -0.152 177.153 177.300 0.008 0.000 1.183 247 P CA -0.292 62.813 63.100 0.009 0.000 0.763 247 P CB 0.606 32.318 31.700 0.020 0.000 0.807 248 L N 3.314 124.544 121.223 0.011 0.000 2.265 248 L HA 0.312 4.652 4.340 -0.000 0.000 0.288 248 L C 0.269 177.182 176.870 0.073 0.000 1.058 248 L CA 0.072 54.929 54.840 0.028 0.000 0.809 248 L CB 0.627 42.704 42.059 0.030 0.000 1.179 248 L HN 0.501 nan 8.230 nan 0.000 0.429 249 S N 5.771 121.531 115.700 0.101 0.000 2.664 249 S HA 0.836 5.306 4.470 -0.000 0.000 0.304 249 S C -0.845 173.886 174.600 0.217 0.000 1.099 249 S CA -0.798 57.478 58.200 0.127 0.000 1.003 249 S CB 2.541 65.802 63.200 0.101 0.000 1.092 249 S HN 0.545 nan 8.310 nan 0.000 0.525 250 L N 0.975 122.294 121.223 0.159 0.000 2.676 250 L HA 0.561 4.901 4.340 -0.000 0.000 0.262 250 L C -2.140 174.785 176.870 0.092 0.000 0.932 250 L CA -0.371 54.544 54.840 0.126 0.000 0.932 250 L CB 1.349 43.391 42.059 -0.029 0.000 1.355 250 L HN 0.907 nan 8.230 nan 0.000 0.421 251 L N 4.450 125.765 121.223 0.154 0.000 2.346 251 L HA 0.869 5.209 4.340 -0.000 0.000 0.276 251 L C 0.485 177.444 176.870 0.148 0.000 1.006 251 L CA -0.933 53.981 54.840 0.124 0.000 0.817 251 L CB 1.993 44.114 42.059 0.103 0.000 1.272 251 L HN 0.833 nan 8.230 nan 0.000 0.421 252 A N 4.288 127.156 122.820 0.079 0.000 2.511 252 A HA 0.426 4.746 4.320 -0.000 0.000 0.242 252 A C -2.264 175.327 177.584 0.012 0.000 1.069 252 A CA -0.814 51.267 52.037 0.072 0.000 0.763 252 A CB -0.625 18.397 19.000 0.036 0.000 1.001 252 A HN 0.418 nan 8.150 nan 0.000 0.498 253 P HA 0.072 nan 4.420 nan 0.000 0.267 253 P C 0.980 178.210 177.300 -0.118 0.000 1.200 253 P CA 0.497 63.500 63.100 -0.162 0.000 0.772 253 P CB 0.520 32.110 31.700 -0.183 0.000 0.855 254 T N -0.315 114.147 114.554 -0.153 0.000 3.037 254 T HA 0.123 4.473 4.350 -0.000 0.000 0.251 254 T C 0.600 175.228 174.700 -0.120 0.000 1.079 254 T CA 0.107 62.138 62.100 -0.115 0.000 1.067 254 T CB 0.210 69.010 68.868 -0.114 0.000 0.948 254 T HN 0.366 nan 8.240 nan 0.000 0.496 255 R N 0.390 120.793 120.500 -0.161 0.000 2.533 255 R HA 0.617 4.957 4.340 -0.000 0.000 0.288 255 R C -1.873 174.310 176.300 -0.194 0.000 1.039 255 R CA -0.760 55.242 56.100 -0.163 0.000 0.909 255 R CB 1.215 31.406 30.300 -0.183 0.000 1.195 255 R HN 0.221 nan 8.270 nan 0.000 0.438 256 L N 4.997 126.130 121.223 -0.150 0.000 2.317 256 L HA 0.506 4.846 4.340 -0.000 0.000 0.281 256 L C -0.131 176.641 176.870 -0.163 0.000 1.024 256 L CA -1.208 53.544 54.840 -0.146 0.000 0.810 256 L CB 1.762 43.775 42.059 -0.077 0.000 1.240 256 L HN 0.501 nan 8.230 nan 0.000 0.427 257 I N 3.191 123.637 120.570 -0.207 0.000 2.337 257 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 257 I C 0.467 176.531 176.117 -0.089 0.000 1.046 257 I CA -0.085 61.100 61.300 -0.192 0.000 1.324 257 I CB 0.573 38.392 38.000 -0.302 0.000 1.409 257 I HN 0.613 nan 8.210 nan 0.000 0.494 258 E N 3.600 123.771 120.200 -0.048 0.000 2.239 258 E HA 0.608 4.958 4.350 -0.000 0.000 0.261 258 E C 0.702 177.305 176.600 0.004 0.000 1.016 258 E CA -0.335 56.052 56.400 -0.020 0.000 0.882 258 E CB 1.541 31.232 29.700 -0.015 0.000 1.190 258 E HN 0.728 nan 8.360 nan 0.000 0.415 259 G N 1.532 110.338 108.800 0.011 0.000 2.582 259 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.288 259 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.288 259 G C 0.724 175.649 174.900 0.041 0.000 1.247 259 G CA 0.780 45.897 45.100 0.027 0.000 0.972 259 G HN 0.542 nan 8.290 nan 0.000 0.557 260 E N 1.270 121.506 120.200 0.060 0.000 2.347 260 E HA 0.410 4.760 4.350 -0.000 0.000 0.196 260 E C 1.290 177.950 176.600 0.099 0.000 1.008 260 E CA 1.981 58.432 56.400 0.085 0.000 0.852 260 E CB -0.049 29.705 29.700 0.090 0.000 0.783 260 E HN 1.652 nan 8.360 nan 0.000 0.505 261 G N -0.922 107.937 108.800 0.097 0.000 2.350 261 G HA2 0.170 4.130 3.960 -0.000 0.000 0.282 261 G HA3 0.170 4.130 3.960 -0.000 0.000 0.282 261 G C -1.463 173.527 174.900 0.151 0.000 1.314 261 G CA -0.863 44.323 45.100 0.144 0.000 0.915 261 G HN 0.025 nan 8.290 nan 0.000 0.499 262 E N -0.735 119.604 120.200 0.232 0.000 2.390 262 E HA 0.409 4.759 4.350 -0.000 0.000 0.280 262 E C -2.052 174.728 176.600 0.300 0.000 0.992 262 E CA -0.922 55.608 56.400 0.218 0.000 0.790 262 E CB 2.279 32.073 29.700 0.156 0.000 1.248 262 E HN 0.375 nan 8.360 nan 0.000 0.447 263 D N 1.820 122.351 120.400 0.218 0.000 2.280 263 D HA 0.437 5.077 4.640 -0.000 0.000 0.236 263 D C -0.850 175.566 176.300 0.194 0.000 1.082 263 D CA -0.330 53.790 54.000 0.200 0.000 0.834 263 D CB 1.279 42.170 40.800 0.151 0.000 1.100 263 D HN 0.060 nan 8.370 nan 0.000 0.486 264 L N 1.346 122.710 121.223 0.235 0.000 2.309 264 L HA 0.510 4.850 4.340 -0.000 0.000 0.261 264 L C -0.477 176.492 176.870 0.166 0.000 1.021 264 L CA -1.094 53.859 54.840 0.187 0.000 0.823 264 L CB 2.201 44.397 42.059 0.227 0.000 1.366 264 L HN 0.092 nan 8.230 nan 0.000 0.423 265 V N 2.811 122.793 119.914 0.112 0.000 2.417 265 V HA 0.507 4.627 4.120 -0.000 0.000 0.291 265 V C -0.488 175.649 176.094 0.072 0.000 1.024 265 V CA -0.552 61.818 62.300 0.116 0.000 0.861 265 V CB 1.555 33.424 31.823 0.077 0.000 0.985 265 V HN 0.428 nan 8.190 nan 0.000 0.436 266 L N 3.820 125.100 121.223 0.094 0.000 2.319 266 L HA 0.533 4.873 4.340 -0.000 0.000 0.281 266 L C 0.255 177.163 176.870 0.063 0.000 1.005 266 L CA -0.523 54.317 54.840 -0.001 0.000 0.828 266 L CB 1.270 43.208 42.059 -0.201 0.000 1.227 266 L HN 0.728 nan 8.230 nan 0.000 0.415 267 D N 3.267 123.684 120.400 0.028 0.000 2.708 267 D HA -0.199 4.441 4.640 -0.000 0.000 0.236 267 D C 1.155 177.483 176.300 0.047 0.000 1.146 267 D CA 1.523 55.541 54.000 0.030 0.000 0.662 267 D CB -0.582 40.237 40.800 0.031 0.000 1.059 267 D HN 1.054 nan 8.370 nan 0.000 0.428 268 G N -2.160 106.668 108.800 0.047 0.000 2.205 268 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.261 268 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.261 268 G C 0.377 175.311 174.900 0.058 0.000 0.980 268 G CA 0.318 45.443 45.100 0.042 0.000 0.632 268 G HN 0.938 nan 8.290 nan 0.000 0.533 269 V N 3.272 123.254 119.914 0.114 0.000 2.370 269 V HA 0.514 4.634 4.120 -0.000 0.000 0.279 269 V C -1.653 174.551 176.094 0.184 0.000 1.029 269 V CA -1.634 60.736 62.300 0.118 0.000 0.870 269 V CB 1.813 33.740 31.823 0.174 0.000 0.984 269 V HN 0.198 nan 8.190 nan 0.000 0.451 270 P HA 0.344 nan 4.420 nan 0.000 0.276 270 P C -1.205 176.049 177.300 -0.077 0.000 1.235 270 P CA -0.055 63.066 63.100 0.036 0.000 0.772 270 P CB 0.547 32.220 31.700 -0.045 0.000 0.871 271 F N 0.625 120.459 119.950 -0.193 0.000 2.540 271 F HA 0.369 4.896 4.527 -0.000 0.000 0.317 271 F C 0.594 176.168 175.800 -0.377 0.000 1.104 271 F CA -0.266 57.492 58.000 -0.402 0.000 0.913 271 F CB 2.110 40.739 39.000 -0.619 0.000 1.170 271 F HN 0.066 nan 8.300 nan 0.000 0.450 272 T N 4.008 118.415 114.554 -0.245 0.000 2.770 272 T HA 0.521 4.871 4.350 -0.000 0.000 0.283 272 T C -0.926 173.627 174.700 -0.244 0.000 0.988 272 T CA -0.370 61.686 62.100 -0.074 0.000 0.957 272 T CB 0.219 69.207 68.868 0.201 0.000 0.930 272 T HN 0.172 nan 8.240 nan 0.000 0.443 273 F N 2.573 122.600 119.950 0.129 0.000 2.415 273 F HA 0.426 4.953 4.527 -0.000 0.000 0.348 273 F C 0.756 176.615 175.800 0.099 0.000 1.119 273 F CA -0.840 57.208 58.000 0.080 0.000 1.069 273 F CB 1.401 40.431 39.000 0.048 0.000 1.124 273 F HN 0.318 nan 8.300 nan 0.000 0.472 274 Q N 4.226 124.172 119.800 0.243 0.000 2.394 274 Q HA 0.317 4.657 4.340 -0.000 0.000 0.259 274 Q C -1.097 174.948 176.000 0.075 0.000 1.021 274 Q CA -0.603 55.325 55.803 0.209 0.000 0.805 274 Q CB 0.739 29.665 28.738 0.313 0.000 1.226 274 Q HN 0.742 nan 8.270 nan 0.000 0.476 275 N N 1.538 120.252 118.700 0.025 0.000 2.518 275 N HA 0.093 4.833 4.740 -0.000 0.000 0.266 275 N C -0.529 174.759 175.510 -0.370 0.000 1.196 275 N CA 0.477 53.458 53.050 -0.115 0.000 0.947 275 N CB 0.820 39.262 38.487 -0.076 0.000 1.098 275 N HN 0.528 nan 8.380 nan 0.000 0.450 276 T N -1.056 113.156 114.554 -0.569 0.000 3.504 276 T HA 0.292 4.642 4.350 -0.000 0.000 0.286 276 T C -2.884 171.357 174.700 -0.766 0.000 1.530 276 T CA -1.902 59.466 62.100 -1.220 0.000 1.652 276 T CB 0.586 68.919 68.868 -0.891 0.000 0.895 276 T HN 0.200 nan 8.240 nan 0.000 0.674 277 P HA 0.404 nan 4.420 nan 0.000 0.271 277 P C 1.020 178.232 177.300 -0.148 0.000 1.216 277 P CA 0.736 63.699 63.100 -0.229 0.000 0.771 277 P CB 0.734 32.374 31.700 -0.100 0.000 0.864 278 G N 1.527 110.238 108.800 -0.148 0.000 2.132 278 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.228 278 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.228 278 G C 0.527 175.349 174.900 -0.130 0.000 1.000 278 G CA 0.524 45.576 45.100 -0.080 0.000 0.693 278 G HN 0.761 nan 8.290 nan 0.000 0.515 279 T N -3.381 110.969 114.554 -0.341 0.000 2.923 279 T HA 0.376 4.726 4.350 -0.000 0.000 0.180 279 T C 1.498 175.624 174.700 -0.957 0.000 0.706 279 T CA 1.086 62.784 62.100 -0.670 0.000 2.161 279 T CB 0.022 68.325 68.868 -0.942 0.000 2.518 279 T HN 0.023 nan 8.240 nan 0.000 0.399 280 E N 1.306 120.687 120.200 -1.363 0.000 2.274 280 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 280 E C 0.403 176.777 176.600 -0.377 0.000 0.996 280 E CA 0.369 56.180 56.400 -0.982 0.000 0.840 280 E CB 0.110 29.194 29.700 -1.027 0.000 0.772 280 E HN 0.470 nan 8.360 nan 0.000 0.491 281 S N -1.193 114.259 115.700 -0.414 0.000 2.556 281 S HA 0.374 4.844 4.470 -0.000 0.000 0.271 281 S C -2.431 172.046 174.600 -0.205 0.000 1.135 281 S CA -1.344 56.695 58.200 -0.267 0.000 0.858 281 S CB 1.785 64.727 63.200 -0.430 0.000 1.114 281 S HN -0.236 nan 8.310 nan 0.000 0.468 282 P HA 0.130 nan 4.420 nan 0.000 0.219 282 P C -0.295 176.941 177.300 -0.107 0.000 1.146 282 P CA 0.857 63.902 63.100 -0.091 0.000 0.808 282 P CB 0.126 31.797 31.700 -0.049 0.000 0.779 283 A N -0.231 122.522 122.820 -0.111 0.000 2.310 283 A HA 0.607 4.927 4.320 -0.000 0.000 0.304 283 A C -0.556 176.991 177.584 -0.061 0.000 1.231 283 A CA -0.244 51.752 52.037 -0.068 0.000 0.799 283 A CB 0.551 19.545 19.000 -0.012 0.000 1.162 283 A HN -0.024 nan 8.150 nan 0.000 0.486 284 E N 2.191 122.323 120.200 -0.114 0.000 2.375 284 E HA 0.683 5.032 4.350 -0.000 0.000 0.280 284 E C -1.113 175.396 176.600 -0.151 0.000 0.972 284 E CA -0.584 55.731 56.400 -0.141 0.000 0.782 284 E CB 1.557 31.063 29.700 -0.322 0.000 1.229 284 E HN 0.845 nan 8.360 nan 0.000 0.439 285 M N 1.885 121.428 119.600 -0.095 0.000 2.371 285 M HA 0.607 5.087 4.480 -0.000 0.000 0.287 285 M C -1.499 174.786 176.300 -0.026 0.000 1.149 285 M CA -1.023 54.248 55.300 -0.048 0.000 0.929 285 M CB 1.829 34.459 32.600 0.050 0.000 1.683 285 M HN 0.189 nan 8.290 nan 0.000 0.470 286 N N 2.460 121.143 118.700 -0.029 0.000 2.483 286 N HA 0.646 5.386 4.740 -0.000 0.000 0.269 286 N C -1.154 174.339 175.510 -0.028 0.000 1.209 286 N CA -0.074 52.950 53.050 -0.045 0.000 0.969 286 N CB 1.477 39.950 38.487 -0.022 0.000 1.173 286 N HN 0.711 nan 8.380 nan 0.000 0.475 287 I N 0.610 121.105 120.570 -0.125 0.000 2.466 287 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 287 I C -0.690 175.262 176.117 -0.274 0.000 1.026 287 I CA -0.707 60.471 61.300 -0.204 0.000 1.078 287 I CB 2.079 39.997 38.000 -0.136 0.000 1.249 287 I HN 0.318 nan 8.210 nan 0.000 0.429 288 W N 8.364 129.282 121.300 -0.636 0.000 2.529 288 W HA 0.612 5.272 4.660 -0.000 0.000 0.321 288 W C -2.049 174.168 176.519 -0.503 0.000 1.047 288 W CA -0.883 56.052 57.345 -0.682 0.000 1.216 288 W CB 1.514 30.230 29.460 -1.239 0.000 1.357 288 W HN 0.319 nan 8.180 nan 0.000 0.489 289 L N 9.334 129.905 121.223 -1.087 0.000 2.356 289 L HA 0.254 4.594 4.340 -0.000 0.000 0.264 289 L C -1.284 174.807 176.870 -1.298 0.000 1.029 289 L CA -1.795 52.417 54.840 -1.047 0.000 0.897 289 L CB 1.557 43.164 42.059 -0.754 0.000 1.256 289 L HN 0.262 nan 8.230 nan 0.000 0.444 290 P HA -0.168 nan 4.420 nan 0.000 0.219 290 P C 1.368 178.417 177.300 -0.418 0.000 1.146 290 P CA 1.116 63.770 63.100 -0.743 0.000 0.808 290 P CB 0.247 31.809 31.700 -0.231 0.000 0.779 291 R N 0.006 120.279 120.500 -0.378 0.000 2.093 291 R HA -0.039 4.301 4.340 -0.000 0.000 0.224 291 R C 1.787 177.948 176.300 -0.231 0.000 1.101 291 R CA 1.228 57.189 56.100 -0.232 0.000 0.979 291 R CB -0.060 30.127 30.300 -0.189 0.000 0.877 291 R HN 0.124 nan 8.270 nan 0.000 0.441 292 Q N 0.100 119.708 119.800 -0.321 0.000 2.319 292 Q HA 0.128 4.468 4.340 -0.000 0.000 0.202 292 Q C -0.460 175.382 176.000 -0.263 0.000 0.896 292 Q CA -0.031 55.620 55.803 -0.254 0.000 0.942 292 Q CB 0.902 29.488 28.738 -0.254 0.000 1.083 292 Q HN -0.024 nan 8.270 nan 0.000 0.510 293 K N -0.421 119.726 120.400 -0.422 0.000 3.148 293 K HA -0.190 4.130 4.320 -0.000 0.000 0.267 293 K C -0.806 175.646 176.600 -0.246 0.000 0.996 293 K CA 1.003 57.062 56.287 -0.380 0.000 0.737 293 K CB -2.226 30.306 32.500 0.054 0.000 1.308 293 K HN 0.334 nan 8.250 nan 0.000 0.470 294 A N 0.718 123.258 122.820 -0.467 0.000 2.303 294 A HA 0.655 4.975 4.320 -0.000 0.000 0.320 294 A C -0.475 177.132 177.584 0.039 0.000 1.192 294 A CA -0.781 51.181 52.037 -0.127 0.000 0.821 294 A CB 1.061 19.959 19.000 -0.169 0.000 1.188 294 A HN 0.243 nan 8.150 nan 0.000 0.492 295 L N 3.653 125.043 121.223 0.278 0.000 2.295 295 L HA 0.545 4.885 4.340 -0.000 0.000 0.281 295 L C -1.041 175.823 176.870 -0.010 0.000 1.018 295 L CA -0.660 54.319 54.840 0.232 0.000 0.841 295 L CB 1.175 43.390 42.059 0.260 0.000 1.218 295 L HN 0.608 nan 8.230 nan 0.000 0.424 296 L N 6.294 127.354 121.223 -0.271 0.000 2.268 296 L HA 0.379 4.719 4.340 -0.000 0.000 0.289 296 L C 0.321 176.974 176.870 -0.362 0.000 1.064 296 L CA 0.224 54.649 54.840 -0.691 0.000 0.824 296 L CB 0.962 42.477 42.059 -0.908 0.000 1.202 296 L HN 0.623 nan 8.230 nan 0.000 0.433 297 M N 4.822 124.247 119.600 -0.292 0.000 2.652 297 M HA 0.252 4.732 4.480 -0.000 0.000 0.226 297 M C 1.270 177.470 176.300 -0.167 0.000 1.244 297 M CA 0.427 55.631 55.300 -0.159 0.000 0.986 297 M CB -1.873 30.674 32.600 -0.089 0.000 1.666 297 M HN 0.841 nan 8.290 nan 0.000 0.460 298 A N 1.426 124.123 122.820 -0.204 0.000 5.395 298 A HA -0.306 4.014 4.320 -0.000 0.000 0.332 298 A C 1.070 178.540 177.584 -0.190 0.000 1.754 298 A CA 1.963 53.884 52.037 -0.195 0.000 0.716 298 A CB -0.981 17.887 19.000 -0.220 0.000 1.411 298 A HN 0.558 nan 8.150 nan 0.000 0.398 299 E N 0.097 120.104 120.200 -0.321 0.000 2.651 299 E HA 0.262 4.612 4.350 -0.000 0.000 0.208 299 E C 0.989 177.470 176.600 -0.199 0.000 0.997 299 E CA 0.448 56.723 56.400 -0.209 0.000 1.020 299 E CB -0.312 29.217 29.700 -0.285 0.000 1.052 299 E HN 0.615 nan 8.360 nan 0.000 0.465 300 N N -0.934 117.654 118.700 -0.187 0.000 2.216 300 N HA -0.038 4.702 4.740 -0.000 0.000 0.183 300 N C -0.371 175.310 175.510 0.285 0.000 1.017 300 N CA 0.623 53.641 53.050 -0.054 0.000 0.861 300 N CB 0.697 39.112 38.487 -0.120 0.000 0.986 300 N HN -0.099 nan 8.380 nan 0.000 0.428 301 V N 1.720 121.730 119.914 0.161 0.000 2.488 301 V HA 0.353 4.473 4.120 -0.000 0.000 0.293 301 V C -0.277 175.879 176.094 0.103 0.000 1.027 301 V CA -0.724 61.683 62.300 0.178 0.000 0.862 301 V CB 1.413 33.284 31.823 0.081 0.000 1.008 301 V HN -0.032 nan 8.190 nan 0.000 0.428 302 V N 1.878 121.889 119.914 0.162 0.000 3.184 302 V HA 0.901 5.021 4.120 -0.000 0.000 0.308 302 V C 0.966 177.065 176.094 0.008 0.000 1.243 302 V CA -0.269 62.071 62.300 0.066 0.000 1.058 302 V CB 1.769 33.683 31.823 0.152 0.000 1.183 302 V HN 0.734 nan 8.190 nan 0.000 0.471 303 G N 0.015 108.734 108.800 -0.135 0.000 3.530 303 G HA2 0.481 4.441 3.960 -0.000 0.000 0.269 303 G HA3 0.481 4.441 3.960 -0.000 0.000 0.269 303 G C 0.180 175.165 174.900 0.141 0.000 1.314 303 G CA 0.742 45.765 45.100 -0.128 0.000 1.441 303 G HN 1.264 nan 8.290 nan 0.000 0.595 304 T N -0.895 113.774 114.554 0.192 0.000 2.831 304 T HA 0.298 4.648 4.350 -0.000 0.000 0.333 304 T C -1.340 173.450 174.700 0.151 0.000 1.684 304 T CA -0.724 61.508 62.100 0.220 0.000 1.049 304 T CB 0.793 69.828 68.868 0.279 0.000 1.518 304 T HN 0.253 nan 8.240 nan 0.000 0.491 305 L N 3.875 125.115 121.223 0.029 0.000 2.499 305 L HA 0.450 4.790 4.340 -0.000 0.000 0.273 305 L C 0.201 177.157 176.870 0.143 0.000 1.195 305 L CA 0.618 55.443 54.840 -0.027 0.000 0.882 305 L CB -0.117 41.829 42.059 -0.187 0.000 1.133 305 L HN 0.839 nan 8.230 nan 0.000 0.483 306 H N 3.316 122.520 119.070 0.223 0.000 2.523 306 H HA 0.428 4.984 4.556 -0.000 0.000 0.345 306 H C -0.237 175.239 175.328 0.246 0.000 1.261 306 H CA -0.745 55.519 56.048 0.360 0.000 1.343 306 H CB 0.803 30.885 29.762 0.532 0.000 1.650 306 H HN 0.674 nan 8.280 nan 0.000 0.591 307 N N 2.038 121.115 118.700 0.628 0.000 2.430 307 N HA 0.025 4.765 4.740 -0.000 0.000 0.265 307 N C 0.605 176.413 175.510 0.496 0.000 1.100 307 N CA 0.139 53.461 53.050 0.453 0.000 0.961 307 N CB 1.039 39.752 38.487 0.378 0.000 1.075 307 N HN 0.510 nan 8.380 nan 0.000 0.478 308 L N 1.636 123.080 121.223 0.368 0.000 2.395 308 L HA 0.037 4.377 4.340 -0.000 0.000 0.218 308 L C -0.058 177.090 176.870 0.464 0.000 1.130 308 L CA 0.644 55.723 54.840 0.397 0.000 0.826 308 L CB -0.124 42.116 42.059 0.302 0.000 0.941 308 L HN 0.506 nan 8.230 nan 0.000 0.451 309 Y N -0.057 120.435 120.300 0.320 0.000 2.358 309 Y HA 0.305 4.855 4.550 -0.000 0.000 0.324 309 Y C -0.652 175.380 175.900 0.219 0.000 1.123 309 Y CA -1.591 56.660 58.100 0.251 0.000 1.067 309 Y CB 1.097 39.698 38.460 0.234 0.000 1.230 309 Y HN -0.218 nan 8.280 nan 0.000 0.429 310 T N 7.415 121.879 114.554 -0.150 0.000 2.780 310 T HA 0.171 4.521 4.350 -0.000 0.000 0.294 310 T C 1.154 175.427 174.700 -0.711 0.000 0.949 310 T CA -0.527 61.405 62.100 -0.280 0.000 1.074 310 T CB 1.035 69.862 68.868 -0.068 0.000 0.910 310 T HN 0.614 nan 8.240 nan 0.000 0.501 311 L N 3.122 123.938 121.223 -0.679 0.000 2.187 311 L HA -0.085 4.255 4.340 -0.000 0.000 0.213 311 L C 2.649 179.285 176.870 -0.390 0.000 1.100 311 L CA 1.553 55.985 54.840 -0.681 0.000 0.765 311 L CB -0.908 40.843 42.059 -0.513 0.000 0.904 311 L HN 0.683 nan 8.230 nan 0.000 0.437 312 R N -0.138 120.221 120.500 -0.235 0.000 2.293 312 R HA 0.172 4.512 4.340 -0.000 0.000 0.219 312 R C 0.519 176.770 176.300 -0.082 0.000 1.091 312 R CA 0.772 56.810 56.100 -0.104 0.000 1.004 312 R CB -0.383 29.918 30.300 0.001 0.000 0.865 312 R HN 0.237 nan 8.270 nan 0.000 0.469 313 G N -0.260 108.468 108.800 -0.119 0.000 3.226 313 G HA2 0.346 4.306 3.960 -0.000 0.000 0.685 313 G HA3 0.346 4.306 3.960 -0.000 0.000 0.685 313 G C -0.682 174.272 174.900 0.090 0.000 1.207 313 G CA -0.539 44.582 45.100 0.035 0.000 0.877 313 G HN 0.644 nan 8.290 nan 0.000 0.585 314 A N 1.735 124.692 122.820 0.227 0.000 2.515 314 A HA 0.840 5.160 4.320 -0.000 0.000 0.292 314 A C -0.513 177.219 177.584 0.247 0.000 1.065 314 A CA -0.444 51.711 52.037 0.196 0.000 0.641 314 A CB 0.683 19.783 19.000 0.168 0.000 1.306 314 A HN 1.089 nan 8.150 nan 0.000 0.441 315 E N 0.339 120.641 120.200 0.170 0.000 2.338 315 E HA 0.432 4.782 4.350 -0.000 0.000 0.272 315 E C -0.269 176.431 176.600 0.167 0.000 1.029 315 E CA -0.333 56.145 56.400 0.131 0.000 0.872 315 E CB 1.245 30.999 29.700 0.089 0.000 1.015 315 E HN 0.443 nan 8.360 nan 0.000 0.417 316 V N 3.764 123.753 119.914 0.124 0.000 2.740 316 V HA 0.026 4.146 4.120 -0.000 0.000 0.303 316 V C 0.666 176.859 176.094 0.164 0.000 1.054 316 V CA 0.250 62.642 62.300 0.153 0.000 1.106 316 V CB 0.529 32.385 31.823 0.055 0.000 0.957 316 V HN 0.621 nan 8.190 nan 0.000 0.486 317 R N 1.907 122.549 120.500 0.237 0.000 2.596 317 R HA 0.377 4.717 4.340 -0.000 0.000 0.267 317 R C -0.534 175.917 176.300 0.253 0.000 1.026 317 R CA -0.790 55.460 56.100 0.251 0.000 1.087 317 R CB 0.660 31.180 30.300 0.367 0.000 1.132 317 R HN 0.709 nan 8.270 nan 0.000 0.531 318 D N 0.891 121.434 120.400 0.238 0.000 2.456 318 D HA 0.185 4.825 4.640 -0.000 0.000 0.219 318 D C 0.563 177.047 176.300 0.306 0.000 1.126 318 D CA -0.203 53.931 54.000 0.224 0.000 0.890 318 D CB 1.255 42.142 40.800 0.145 0.000 1.025 318 D HN 0.571 nan 8.370 nan 0.000 0.511 319 A N 3.941 126.954 122.820 0.321 0.000 1.972 319 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 319 A C 1.870 179.557 177.584 0.172 0.000 1.169 319 A CA 0.807 53.014 52.037 0.284 0.000 0.635 319 A CB -0.396 18.799 19.000 0.325 0.000 0.810 319 A HN 0.591 nan 8.150 nan 0.000 0.446 320 L N 0.013 121.227 121.223 -0.015 0.000 1.976 320 L HA -0.002 4.338 4.340 -0.000 0.000 0.209 320 L C 2.488 179.349 176.870 -0.016 0.000 1.071 320 L CA 2.424 57.139 54.840 -0.208 0.000 0.746 320 L CB -1.210 40.572 42.059 -0.463 0.000 0.890 320 L HN 0.297 nan 8.230 nan 0.000 0.432 321 G N -1.213 107.615 108.800 0.048 0.000 2.442 321 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.219 321 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.219 321 G C 1.434 176.450 174.900 0.194 0.000 1.141 321 G CA 0.751 45.889 45.100 0.063 0.000 0.763 321 G HN 0.558 nan 8.290 nan 0.000 0.554 322 W N 1.545 122.854 121.300 0.015 0.000 2.335 322 W HA -0.129 4.531 4.660 -0.000 0.000 0.311 322 W C 2.788 179.302 176.519 -0.009 0.000 1.213 322 W CA 1.703 59.022 57.345 -0.043 0.000 1.274 322 W CB -0.907 28.405 29.460 -0.247 0.000 1.148 322 W HN 0.304 nan 8.180 nan 0.000 0.498 323 S N 0.362 116.246 115.700 0.308 0.000 2.359 323 S HA -0.211 4.259 4.470 -0.000 0.000 0.224 323 S C 1.962 176.653 174.600 0.152 0.000 1.035 323 S CA 1.998 60.336 58.200 0.229 0.000 1.018 323 S CB -0.298 63.000 63.200 0.163 0.000 0.876 323 S HN 0.301 nan 8.310 nan 0.000 0.448 324 K N -0.691 119.741 120.400 0.054 0.000 2.057 324 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 324 K C 1.945 178.513 176.600 -0.053 0.000 1.049 324 K CA 1.566 57.823 56.287 -0.050 0.000 0.931 324 K CB -0.375 32.017 32.500 -0.179 0.000 0.714 324 K HN 0.415 nan 8.250 nan 0.000 0.440 325 Y N 1.155 121.489 120.300 0.057 0.000 2.274 325 Y HA -0.136 4.414 4.550 -0.000 0.000 0.290 325 Y C 1.997 177.932 175.900 0.058 0.000 1.145 325 Y CA 0.828 58.948 58.100 0.033 0.000 1.203 325 Y CB -0.268 38.180 38.460 -0.021 0.000 0.984 325 Y HN 0.000 nan 8.280 nan 0.000 0.533 326 I N -0.522 120.200 120.570 0.253 0.000 2.252 326 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 326 I C 2.282 178.483 176.117 0.141 0.000 1.102 326 I CA 1.323 62.742 61.300 0.199 0.000 1.385 326 I CB -0.364 37.778 38.000 0.238 0.000 1.064 326 I HN 0.155 nan 8.210 nan 0.000 0.414 327 N N 0.815 119.594 118.700 0.132 0.000 2.104 327 N HA -0.262 4.478 4.740 -0.000 0.000 0.190 327 N C 1.839 177.445 175.510 0.160 0.000 1.024 327 N CA 1.459 54.591 53.050 0.136 0.000 0.853 327 N CB -0.198 38.366 38.487 0.129 0.000 1.008 327 N HN 0.323 nan 8.380 nan 0.000 0.424 328 Q N -0.348 119.512 119.800 0.099 0.000 2.077 328 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 328 Q C 1.781 177.783 176.000 0.003 0.000 0.989 328 Q CA 1.971 57.807 55.803 0.055 0.000 0.853 328 Q CB -0.243 28.546 28.738 0.084 0.000 0.907 328 Q HN 0.481 nan 8.270 nan 0.000 0.418 329 A N 0.582 123.442 122.820 0.066 0.000 1.930 329 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 329 A C 1.970 179.539 177.584 -0.026 0.000 1.175 329 A CA 1.183 53.269 52.037 0.081 0.000 0.627 329 A CB -0.669 18.453 19.000 0.204 0.000 0.815 329 A HN 0.464 nan 8.150 nan 0.000 0.443 330 L N -0.383 120.818 121.223 -0.036 0.000 1.989 330 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 330 L C 2.282 178.987 176.870 -0.273 0.000 1.071 330 L CA 2.319 57.070 54.840 -0.149 0.000 0.749 330 L CB -0.917 41.033 42.059 -0.181 0.000 0.890 330 L HN 0.539 nan 8.230 nan 0.000 0.431 331 H N -0.770 118.213 119.070 -0.145 0.000 2.462 331 H HA 0.012 4.568 4.556 -0.000 0.000 0.292 331 H C 2.317 177.469 175.328 -0.293 0.000 1.049 331 H CA 1.203 57.145 56.048 -0.176 0.000 1.334 331 H CB 0.239 29.919 29.762 -0.136 0.000 1.404 331 H HN 0.416 nan 8.280 nan 0.000 0.544 332 R N -0.578 119.688 120.500 -0.390 0.000 2.090 332 R HA 0.029 4.369 4.340 -0.000 0.000 0.219 332 R C 1.333 177.081 176.300 -0.919 0.000 1.100 332 R CA 1.040 56.665 56.100 -0.791 0.000 0.991 332 R CB 0.258 29.749 30.300 -1.348 0.000 0.893 332 R HN 0.222 nan 8.270 nan 0.000 0.443 333 F N -2.316 117.372 119.950 -0.438 0.000 2.667 333 F HA 0.290 4.817 4.527 -0.000 0.000 0.288 333 F C 2.218 177.686 175.800 -0.554 0.000 1.086 333 F CA -0.077 57.428 58.000 -0.824 0.000 1.297 333 F CB -0.330 38.111 39.000 -0.931 0.000 1.059 333 F HN 0.025 nan 8.300 nan 0.000 0.624 334 G N 1.164 109.869 108.800 -0.158 0.000 2.446 334 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 334 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 334 G C 1.784 176.628 174.900 -0.094 0.000 1.168 334 G CA 0.808 45.850 45.100 -0.096 0.000 0.771 334 G HN 0.045 nan 8.290 nan 0.000 0.551 335 R N 1.073 121.491 120.500 -0.137 0.000 2.234 335 R HA -0.251 4.089 4.340 -0.000 0.000 0.262 335 R C 2.318 178.593 176.300 -0.042 0.000 1.150 335 R CA 2.551 58.592 56.100 -0.099 0.000 0.981 335 R CB -0.399 29.827 30.300 -0.123 0.000 0.899 335 R HN 0.732 nan 8.270 nan 0.000 0.458 336 Q N -2.135 117.638 119.800 -0.045 0.000 2.140 336 Q HA 0.404 4.744 4.340 -0.000 0.000 0.227 336 Q C 0.010 176.149 176.000 0.231 0.000 0.798 336 Q CA 0.087 55.936 55.803 0.077 0.000 0.987 336 Q CB 0.647 29.447 28.738 0.103 0.000 1.161 336 Q HN 0.170 nan 8.270 nan 0.000 0.480 337 A N 1.462 124.387 122.820 0.174 0.000 2.440 337 A HA 0.140 4.460 4.320 -0.000 0.000 0.251 337 A C 0.660 178.370 177.584 0.210 0.000 1.089 337 A CA -0.192 52.047 52.037 0.336 0.000 0.779 337 A CB 0.389 19.539 19.000 0.249 0.000 1.022 337 A HN 0.226 nan 8.150 nan 0.000 0.492 338 E N 0.884 121.201 120.200 0.194 0.000 2.431 338 E HA 0.151 4.501 4.350 -0.000 0.000 0.200 338 E C -0.237 176.426 176.600 0.105 0.000 0.995 338 E CA 0.540 57.022 56.400 0.136 0.000 0.915 338 E CB 0.975 30.747 29.700 0.120 0.000 0.930 338 E HN 0.423 nan 8.360 nan 0.000 0.496 339 V N 1.114 121.048 119.914 0.033 0.000 2.851 339 V HA 0.479 4.599 4.120 -0.000 0.000 0.307 339 V C -1.590 174.463 176.094 -0.068 0.000 1.129 339 V CA -0.710 61.488 62.300 -0.172 0.000 0.932 339 V CB 2.216 33.806 31.823 -0.388 0.000 1.024 339 V HN 0.033 nan 8.190 nan 0.000 0.426 340 M N 7.736 127.263 119.600 -0.123 0.000 2.383 340 M HA 0.792 5.272 4.480 -0.000 0.000 0.325 340 M C -1.422 174.888 176.300 0.016 0.000 1.092 340 M CA -0.489 54.818 55.300 0.010 0.000 0.961 340 M CB 1.646 34.223 32.600 -0.039 0.000 1.672 340 M HN 0.789 nan 8.290 nan 0.000 0.438 341 F N 1.935 121.748 119.950 -0.229 0.000 2.754 341 F HA 1.014 5.541 4.527 -0.000 0.000 0.320 341 F C -1.535 174.178 175.800 -0.146 0.000 1.156 341 F CA -0.855 57.007 58.000 -0.231 0.000 0.950 341 F CB 1.112 39.962 39.000 -0.250 0.000 1.388 341 F HN 0.690 nan 8.300 nan 0.000 0.485 342 A N 0.240 122.936 122.820 -0.208 0.000 2.581 342 A HA 0.553 4.873 4.320 -0.000 0.000 0.290 342 A C -0.134 177.372 177.584 -0.130 0.000 1.119 342 A CA -0.149 51.752 52.037 -0.226 0.000 0.670 342 A CB 0.876 19.805 19.000 -0.118 0.000 1.280 342 A HN 1.833 nan 8.150 nan 0.000 0.425 343 V N -1.745 118.120 119.914 -0.081 0.000 3.573 343 V HA 0.304 4.424 4.120 -0.000 0.000 0.270 343 V C 0.395 176.380 176.094 -0.182 0.000 1.221 343 V CA 1.029 63.301 62.300 -0.046 0.000 1.163 343 V CB -1.325 30.527 31.823 0.048 0.000 0.847 343 V HN 0.646 nan 8.190 nan 0.000 0.468 344 H N 0.492 119.603 119.070 0.067 0.000 2.961 344 H HA 0.484 5.040 4.556 -0.000 0.000 0.371 344 H C -0.025 175.256 175.328 -0.078 0.000 1.190 344 H CA -0.310 55.758 56.048 0.034 0.000 1.138 344 H CB 1.885 31.673 29.762 0.044 0.000 1.816 344 H HN 0.252 nan 8.280 nan 0.000 0.551 345 N N -0.256 118.470 118.700 0.044 0.000 6.260 345 N HA -0.249 4.491 4.740 -0.000 0.000 0.382 345 N C -0.530 174.891 175.510 -0.148 0.000 0.928 345 N CA 1.265 54.190 53.050 -0.207 0.000 1.195 345 N CB -0.718 37.312 38.487 -0.761 0.000 0.819 345 N HN 0.619 nan 8.380 nan 0.000 0.400 346 W N -0.368 120.915 121.300 -0.028 0.000 2.576 346 W HA 0.791 5.451 4.660 -0.000 0.000 0.360 346 W C -2.501 173.958 176.519 -0.101 0.000 1.109 346 W CA -1.652 55.636 57.345 -0.095 0.000 1.237 346 W CB -0.627 28.773 29.460 -0.100 0.000 1.369 346 W HN 0.340 nan 8.180 nan 0.000 0.609 347 P HA 0.328 nan 4.420 nan 0.000 0.276 347 P C -0.859 176.227 177.300 -0.358 0.000 1.261 347 P CA -0.619 62.249 63.100 -0.387 0.000 0.800 347 P CB 0.645 31.776 31.700 -0.948 0.000 1.066 348 R N 0.248 120.486 120.500 -0.436 0.000 2.599 348 R HA 0.485 4.825 4.340 -0.000 0.000 0.295 348 R C -0.860 175.293 176.300 -0.244 0.000 0.963 348 R CA -0.495 55.524 56.100 -0.135 0.000 0.883 348 R CB 1.911 32.184 30.300 -0.046 0.000 1.171 348 R HN 0.564 nan 8.270 nan 0.000 0.450 349 W N 0.848 122.193 121.300 0.074 0.000 2.689 349 W HA 0.536 5.196 4.660 -0.000 0.000 0.340 349 W C 0.200 176.751 176.519 0.053 0.000 1.060 349 W CA -0.476 56.901 57.345 0.053 0.000 1.218 349 W CB 2.371 31.854 29.460 0.039 0.000 1.410 349 W HN 0.885 nan 8.180 nan 0.000 0.528 350 G N 1.914 110.872 108.800 0.264 0.000 3.225 350 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.686 350 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.686 350 G C 0.311 175.282 174.900 0.118 0.000 1.105 350 G CA -0.225 44.980 45.100 0.174 0.000 0.831 350 G HN 0.653 nan 8.290 nan 0.000 0.578 351 N N 1.106 119.864 118.700 0.097 0.000 2.069 351 N HA -0.156 4.584 4.740 -0.000 0.000 0.191 351 N C 2.633 178.175 175.510 0.052 0.000 1.031 351 N CA 2.341 55.434 53.050 0.072 0.000 0.852 351 N CB -0.100 38.426 38.487 0.065 0.000 1.018 351 N HN 1.053 nan 8.380 nan 0.000 0.423 352 A N 0.840 123.694 122.820 0.056 0.000 1.902 352 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 352 A C 2.104 179.718 177.584 0.050 0.000 1.181 352 A CA 1.810 53.874 52.037 0.046 0.000 0.623 352 A CB -0.682 18.348 19.000 0.049 0.000 0.818 352 A HN 0.512 nan 8.150 nan 0.000 0.443 353 E N 0.333 120.574 120.200 0.070 0.000 2.047 353 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 353 E C 1.687 178.306 176.600 0.031 0.000 0.987 353 E CA 1.509 57.955 56.400 0.075 0.000 0.799 353 E CB -0.434 29.335 29.700 0.115 0.000 0.752 353 E HN 0.622 nan 8.360 nan 0.000 0.449 354 I N -0.260 120.324 120.570 0.024 0.000 2.163 354 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 354 I C 2.297 178.399 176.117 -0.024 0.000 1.085 354 I CA 0.997 62.290 61.300 -0.012 0.000 1.347 354 I CB -0.320 37.687 38.000 0.013 0.000 1.044 354 I HN 0.052 nan 8.210 nan 0.000 0.408 355 V N 0.623 120.531 119.914 -0.011 0.000 2.332 355 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 355 V C 2.494 178.576 176.094 -0.020 0.000 1.055 355 V CA 2.257 64.540 62.300 -0.029 0.000 1.038 355 V CB -0.650 31.156 31.823 -0.029 0.000 0.651 355 V HN 0.502 nan 8.190 nan 0.000 0.450 356 E N -0.165 120.038 120.200 0.005 0.000 2.106 356 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 356 E C 2.164 178.783 176.600 0.032 0.000 0.984 356 E CA 1.415 57.834 56.400 0.032 0.000 0.806 356 E CB 0.058 29.798 29.700 0.066 0.000 0.750 356 E HN 0.453 nan 8.360 nan 0.000 0.458 357 V N 1.268 121.149 119.914 -0.054 0.000 2.358 357 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 357 V C 2.441 178.466 176.094 -0.115 0.000 1.047 357 V CA 1.362 63.516 62.300 -0.243 0.000 1.035 357 V CB -0.439 31.082 31.823 -0.505 0.000 0.658 357 V HN 0.328 nan 8.190 nan 0.000 0.452 358 L N -0.286 120.898 121.223 -0.065 0.000 2.012 358 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 358 L C 2.624 179.509 176.870 0.025 0.000 1.073 358 L CA 1.812 56.645 54.840 -0.011 0.000 0.748 358 L CB -0.653 41.394 42.059 -0.021 0.000 0.891 358 L HN 0.390 nan 8.230 nan 0.000 0.431 359 E N 0.102 120.310 120.200 0.012 0.000 2.058 359 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 359 E C 2.229 178.863 176.600 0.056 0.000 0.997 359 E CA 1.282 57.699 56.400 0.029 0.000 0.801 359 E CB -0.020 29.689 29.700 0.016 0.000 0.746 359 E HN 0.415 nan 8.360 nan 0.000 0.450 360 K N 0.395 120.842 120.400 0.077 0.000 2.097 360 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 360 K C 2.291 178.945 176.600 0.090 0.000 1.050 360 K CA 0.804 57.148 56.287 0.095 0.000 0.938 360 K CB 0.034 32.643 32.500 0.182 0.000 0.718 360 K HN 0.122 nan 8.250 nan 0.000 0.442 361 Q N 0.431 120.304 119.800 0.122 0.000 2.083 361 Q HA -0.135 4.205 4.340 -0.000 0.000 0.198 361 Q C 2.212 178.322 176.000 0.183 0.000 0.969 361 Q CA 0.949 56.831 55.803 0.131 0.000 0.838 361 Q CB -0.141 28.710 28.738 0.189 0.000 0.900 361 Q HN 0.291 nan 8.270 nan 0.000 0.436 362 R N 1.033 121.636 120.500 0.172 0.000 2.096 362 R HA -0.180 4.159 4.340 -0.000 0.000 0.240 362 R C 1.033 177.419 176.300 0.144 0.000 1.139 362 R CA 1.906 58.114 56.100 0.181 0.000 0.952 362 R CB -0.001 30.376 30.300 0.129 0.000 0.854 362 R HN 0.164 nan 8.270 nan 0.000 0.436 363 D N 0.507 120.961 120.400 0.090 0.000 2.277 363 D HA -0.102 4.538 4.640 -0.000 0.000 0.208 363 D C 1.827 178.157 176.300 0.050 0.000 0.962 363 D CA 0.437 54.482 54.000 0.075 0.000 0.865 363 D CB -0.057 40.773 40.800 0.050 0.000 0.939 363 D HN 0.216 nan 8.370 nan 0.000 0.510 364 L N -0.076 121.121 121.223 -0.044 0.000 2.005 364 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 364 L C 2.041 178.783 176.870 -0.214 0.000 1.072 364 L CA 1.674 56.398 54.840 -0.194 0.000 0.744 364 L CB -0.808 41.023 42.059 -0.381 0.000 0.895 364 L HN -0.028 nan 8.230 nan 0.000 0.433 365 Y N -0.223 120.041 120.300 -0.061 0.000 2.242 365 Y HA -0.069 4.481 4.550 -0.000 0.000 0.291 365 Y C 2.460 178.380 175.900 0.033 0.000 1.137 365 Y CA 1.140 59.179 58.100 -0.101 0.000 1.181 365 Y CB -0.880 37.418 38.460 -0.270 0.000 0.989 365 Y HN 0.317 nan 8.280 nan 0.000 0.527 366 G N -1.090 107.823 108.800 0.188 0.000 2.402 366 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.216 366 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.216 366 G C 1.469 176.470 174.900 0.169 0.000 1.162 366 G CA 0.816 46.014 45.100 0.162 0.000 0.777 366 G HN 0.457 nan 8.290 nan 0.000 0.539 367 Y N 1.022 121.338 120.300 0.026 0.000 2.145 367 Y HA -0.044 4.506 4.550 -0.000 0.000 0.286 367 Y C 2.658 178.562 175.900 0.007 0.000 1.145 367 Y CA 1.365 59.463 58.100 -0.004 0.000 1.148 367 Y CB -0.220 38.209 38.460 -0.052 0.000 0.981 367 Y HN 0.095 nan 8.280 nan 0.000 0.507 368 L N -0.598 120.730 121.223 0.175 0.000 2.013 368 L HA -0.339 4.001 4.340 -0.000 0.000 0.212 368 L C 2.736 179.643 176.870 0.061 0.000 1.073 368 L CA 1.911 56.811 54.840 0.099 0.000 0.753 368 L CB -0.940 41.167 42.059 0.079 0.000 0.890 368 L HN 0.445 nan 8.230 nan 0.000 0.432 369 H N 0.308 119.398 119.070 0.035 0.000 2.256 369 H HA -0.188 4.368 4.556 -0.000 0.000 0.299 369 H C 1.776 177.069 175.328 -0.058 0.000 1.071 369 H CA 2.259 58.330 56.048 0.038 0.000 1.280 369 H CB 0.075 29.892 29.762 0.091 0.000 1.370 369 H HN 0.303 nan 8.280 nan 0.000 0.490 370 D N 0.372 120.785 120.400 0.020 0.000 2.117 370 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 370 D C 2.425 178.598 176.300 -0.212 0.000 0.987 370 D CA 0.871 54.820 54.000 -0.085 0.000 0.829 370 D CB -0.159 40.624 40.800 -0.029 0.000 0.961 370 D HN 0.390 nan 8.370 nan 0.000 0.460 371 Q N -0.122 119.462 119.800 -0.359 0.000 2.245 371 Q HA 0.013 4.353 4.340 -0.000 0.000 0.201 371 Q C 2.153 178.036 176.000 -0.194 0.000 0.955 371 Q CA 0.702 56.268 55.803 -0.395 0.000 0.870 371 Q CB -0.539 27.676 28.738 -0.871 0.000 0.945 371 Q HN 0.272 nan 8.270 nan 0.000 0.461 372 T N 1.699 116.150 114.554 -0.171 0.000 2.684 372 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 372 T C 1.752 176.374 174.700 -0.129 0.000 1.036 372 T CA 0.835 62.873 62.100 -0.103 0.000 1.148 372 T CB -0.099 68.729 68.868 -0.067 0.000 0.863 372 T HN 0.059 nan 8.240 nan 0.000 0.436 373 L N 0.615 121.705 121.223 -0.222 0.000 2.093 373 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 373 L C 2.280 179.056 176.870 -0.157 0.000 1.085 373 L CA 1.535 56.221 54.840 -0.256 0.000 0.755 373 L CB -1.247 40.554 42.059 -0.431 0.000 0.904 373 L HN 0.441 nan 8.230 nan 0.000 0.435 374 H N -0.343 118.609 119.070 -0.197 0.000 2.319 374 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 374 H C 2.275 177.531 175.328 -0.119 0.000 1.092 374 H CA 1.930 57.888 56.048 -0.150 0.000 1.302 374 H CB 0.157 29.824 29.762 -0.159 0.000 1.373 374 H HN 0.235 nan 8.280 nan 0.000 0.497 375 L N 0.172 121.398 121.223 0.005 0.000 2.046 375 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 375 L C 3.137 179.963 176.870 -0.074 0.000 1.077 375 L CA 1.039 55.865 54.840 -0.023 0.000 0.747 375 L CB -0.572 41.486 42.059 -0.002 0.000 0.896 375 L HN 0.279 nan 8.230 nan 0.000 0.432 376 A N 0.282 123.052 122.820 -0.085 0.000 1.908 376 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 376 A C 1.947 179.466 177.584 -0.109 0.000 1.181 376 A CA 2.243 54.227 52.037 -0.087 0.000 0.627 376 A CB -0.862 18.085 19.000 -0.088 0.000 0.818 376 A HN 0.536 nan 8.150 nan 0.000 0.445 377 N N -0.611 117.999 118.700 -0.149 0.000 2.512 377 N HA -0.092 4.648 4.740 -0.000 0.000 0.183 377 N C 1.462 176.877 175.510 -0.157 0.000 1.073 377 N CA 0.780 53.734 53.050 -0.159 0.000 0.911 377 N CB -0.053 38.314 38.487 -0.199 0.000 0.964 377 N HN 0.640 nan 8.380 nan 0.000 0.447 378 Q N -0.821 118.884 119.800 -0.158 0.000 2.360 378 Q HA 0.184 4.524 4.340 -0.000 0.000 0.202 378 Q C 0.838 176.787 176.000 -0.084 0.000 0.915 378 Q CA 0.297 56.025 55.803 -0.125 0.000 0.943 378 Q CB 0.937 29.603 28.738 -0.119 0.000 1.064 378 Q HN 0.407 nan 8.270 nan 0.000 0.511 379 G N 0.337 109.088 108.800 -0.081 0.000 2.179 379 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 379 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 379 G C 0.139 175.005 174.900 -0.057 0.000 0.990 379 G CA -0.223 44.837 45.100 -0.067 0.000 0.646 379 G HN 0.182 nan 8.290 nan 0.000 0.517 380 V N 2.692 122.575 119.914 -0.051 0.000 2.521 380 V HA 0.511 4.631 4.120 -0.000 0.000 0.286 380 V C 1.348 177.424 176.094 -0.030 0.000 1.034 380 V CA 0.700 62.979 62.300 -0.035 0.000 1.045 380 V CB 0.902 32.710 31.823 -0.025 0.000 0.974 380 V HN 0.754 nan 8.190 nan 0.000 0.480 381 T N 2.132 116.674 114.554 -0.021 0.000 2.884 381 T HA 0.423 4.773 4.350 -0.000 0.000 0.277 381 T C 1.218 175.935 174.700 0.030 0.000 0.976 381 T CA -0.449 61.638 62.100 -0.020 0.000 0.956 381 T CB 1.128 69.972 68.868 -0.039 0.000 1.113 381 T HN 0.433 nan 8.240 nan 0.000 0.554 382 I N 0.182 120.771 120.570 0.031 0.000 2.614 382 I HA 0.110 4.280 4.170 -0.000 0.000 0.258 382 I C 2.039 178.237 176.117 0.134 0.000 1.189 382 I CA 1.268 62.614 61.300 0.076 0.000 1.462 382 I CB -0.603 37.427 38.000 0.051 0.000 1.092 382 I HN 0.895 nan 8.210 nan 0.000 0.442 383 G N -0.563 108.308 108.800 0.117 0.000 2.880 383 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.209 383 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.209 383 G C 1.291 176.318 174.900 0.213 0.000 1.157 383 G CA 0.062 45.267 45.100 0.176 0.000 0.779 383 G HN 0.444 nan 8.290 nan 0.000 0.539 384 Q N -1.032 118.841 119.800 0.121 0.000 2.369 384 Q HA 0.216 4.556 4.340 -0.000 0.000 0.254 384 Q C 2.274 178.234 176.000 -0.066 0.000 0.858 384 Q CA -0.099 55.694 55.803 -0.016 0.000 0.961 384 Q CB 0.466 29.193 28.738 -0.018 0.000 1.119 384 Q HN 0.200 nan 8.270 nan 0.000 0.538 385 V N 2.720 122.691 119.914 0.096 0.000 2.392 385 V HA -0.271 3.849 4.120 -0.000 0.000 0.249 385 V C 2.284 178.431 176.094 0.088 0.000 1.059 385 V CA 2.366 64.716 62.300 0.083 0.000 1.051 385 V CB -0.428 31.456 31.823 0.101 0.000 0.658 385 V HN 0.563 nan 8.190 nan 0.000 0.455 386 H N -0.428 118.691 119.070 0.082 0.000 2.491 386 H HA -0.023 4.533 4.556 -0.000 0.000 0.290 386 H C 1.544 176.928 175.328 0.092 0.000 1.050 386 H CA 1.368 57.480 56.048 0.105 0.000 1.309 386 H CB -0.724 29.138 29.762 0.166 0.000 1.392 386 H HN 0.489 nan 8.280 nan 0.000 0.554 387 N N 0.727 119.182 118.700 -0.409 0.000 2.398 387 N HA 0.012 4.752 4.740 -0.000 0.000 0.188 387 N C 1.431 176.884 175.510 -0.096 0.000 1.122 387 N CA 0.120 53.033 53.050 -0.229 0.000 0.866 387 N CB 0.369 38.688 38.487 -0.280 0.000 0.970 387 N HN 0.416 nan 8.380 nan 0.000 0.462 388 R N -0.243 120.219 120.500 -0.064 0.000 2.225 388 R HA 0.186 4.526 4.340 -0.000 0.000 0.194 388 R C 0.321 176.628 176.300 0.013 0.000 0.949 388 R CA -0.332 55.756 56.100 -0.020 0.000 1.088 388 R CB -0.367 29.924 30.300 -0.016 0.000 1.106 388 R HN 0.041 nan 8.270 nan 0.000 0.566 389 L N 3.024 124.267 121.223 0.033 0.000 2.360 389 L HA 0.219 4.559 4.340 -0.000 0.000 0.276 389 L C -0.529 176.385 176.870 0.072 0.000 1.121 389 L CA 0.331 55.211 54.840 0.066 0.000 0.845 389 L CB 0.411 42.514 42.059 0.074 0.000 1.143 389 L HN -0.061 nan 8.230 nan 0.000 0.452 390 R N 5.444 126.001 120.500 0.095 0.000 2.621 390 R HA 0.453 4.793 4.340 -0.000 0.000 0.284 390 R C -1.041 175.260 176.300 0.002 0.000 0.998 390 R CA -0.918 55.200 56.100 0.031 0.000 0.895 390 R CB 1.411 31.708 30.300 -0.006 0.000 1.195 390 R HN 0.663 nan 8.270 nan 0.000 0.450 391 L N 4.414 125.555 121.223 -0.136 0.000 2.485 391 L HA 0.154 4.494 4.340 -0.000 0.000 0.275 391 L C -1.456 175.173 176.870 -0.401 0.000 1.207 391 L CA -1.262 53.340 54.840 -0.397 0.000 0.855 391 L CB 0.067 41.916 42.059 -0.350 0.000 1.114 391 L HN 0.239 nan 8.230 nan 0.000 0.485 392 P HA 0.140 nan 4.420 nan 0.000 0.272 392 P C -2.289 174.848 177.300 -0.272 0.000 1.230 392 P CA -1.517 61.375 63.100 -0.348 0.000 0.788 392 P CB 0.145 31.631 31.700 -0.357 0.000 0.949 393 P HA -0.227 nan 4.420 nan 0.000 0.216 393 P C 1.795 178.981 177.300 -0.190 0.000 1.154 393 P CA 2.232 65.227 63.100 -0.175 0.000 0.865 393 P CB -0.391 31.234 31.700 -0.125 0.000 0.789 394 S N -1.607 113.989 115.700 -0.173 0.000 2.423 394 S HA -0.078 4.392 4.470 -0.000 0.000 0.231 394 S C 1.856 176.344 174.600 -0.188 0.000 1.014 394 S CA 1.009 59.118 58.200 -0.152 0.000 0.965 394 S CB -1.345 61.788 63.200 -0.111 0.000 0.785 394 S HN 0.097 nan 8.310 nan 0.000 0.495 395 L N 0.788 121.868 121.223 -0.239 0.000 2.253 395 L HA 0.156 4.496 4.340 -0.000 0.000 0.205 395 L C 2.553 179.230 176.870 -0.321 0.000 1.078 395 L CA 1.172 55.850 54.840 -0.270 0.000 0.805 395 L CB -0.630 41.242 42.059 -0.312 0.000 0.963 395 L HN 0.279 nan 8.230 nan 0.000 0.459 396 D N -0.018 120.192 120.400 -0.317 0.000 2.182 396 D HA -0.203 4.437 4.640 -0.000 0.000 0.201 396 D C 1.615 177.682 176.300 -0.389 0.000 0.986 396 D CA 1.050 54.856 54.000 -0.324 0.000 0.847 396 D CB 0.262 40.902 40.800 -0.267 0.000 0.942 396 D HN 0.100 nan 8.370 nan 0.000 0.467 397 Q N 0.464 120.040 119.800 -0.374 0.000 2.242 397 Q HA 0.147 4.487 4.340 -0.000 0.000 0.246 397 Q C -0.557 175.124 176.000 -0.532 0.000 0.883 397 Q CA 0.231 55.773 55.803 -0.435 0.000 0.984 397 Q CB 0.656 29.215 28.738 -0.299 0.000 1.096 397 Q HN 0.409 nan 8.270 nan 0.000 0.452 398 E N -0.963 118.861 120.200 -0.626 0.000 2.222 398 E HA 0.103 4.453 4.350 -0.000 0.000 0.267 398 E C 0.037 176.182 176.600 -0.758 0.000 0.884 398 E CA -0.521 55.421 56.400 -0.763 0.000 0.764 398 E CB 0.809 29.860 29.700 -1.082 0.000 1.169 398 E HN 0.168 nan 8.360 nan 0.000 0.413 399 W N 0.881 121.975 121.300 -0.342 0.000 2.374 399 W HA -0.219 4.441 4.660 -0.000 0.000 0.288 399 W C 1.817 178.303 176.519 -0.055 0.000 1.218 399 W CA 0.741 58.018 57.345 -0.113 0.000 1.245 399 W CB -0.261 29.247 29.460 0.079 0.000 1.126 399 W HN 0.652 nan 8.180 nan 0.000 0.545 400 Y N -2.050 118.392 120.300 0.236 0.000 2.529 400 Y HA 0.140 4.690 4.550 -0.000 0.000 0.290 400 Y C 1.014 176.927 175.900 0.023 0.000 1.177 400 Y CA 0.356 58.541 58.100 0.143 0.000 1.305 400 Y CB -1.026 37.488 38.460 0.089 0.000 1.047 400 Y HN -0.124 nan 8.280 nan 0.000 0.522 401 D N -0.058 120.194 120.400 -0.247 0.000 2.349 401 D HA 0.049 4.689 4.640 -0.000 0.000 0.214 401 D C 0.488 176.617 176.300 -0.285 0.000 1.063 401 D CA 0.180 54.039 54.000 -0.235 0.000 0.847 401 D CB 0.164 40.761 40.800 -0.338 0.000 0.933 401 D HN 0.134 nan 8.370 nan 0.000 0.513 402 R N 0.404 120.712 120.500 -0.320 0.000 2.641 402 R HA 0.387 4.727 4.340 -0.000 0.000 0.269 402 R C 1.017 176.990 176.300 -0.545 0.000 1.074 402 R CA -0.277 55.509 56.100 -0.523 0.000 1.133 402 R CB 0.062 29.880 30.300 -0.804 0.000 1.029 402 R HN -0.075 nan 8.270 nan 0.000 0.488 403 G N 1.700 110.197 108.800 -0.504 0.000 3.343 403 G HA2 0.141 4.101 3.960 -0.000 0.000 0.264 403 G HA3 0.141 4.101 3.960 -0.000 0.000 0.264 403 G C 0.329 175.060 174.900 -0.282 0.000 0.884 403 G CA -0.287 44.600 45.100 -0.356 0.000 1.916 403 G HN 0.609 nan 8.290 nan 0.000 0.618 404 Y N -0.983 119.315 120.300 -0.004 0.000 2.347 404 Y HA 0.037 4.587 4.550 -0.000 0.000 0.294 404 Y C 2.450 178.393 175.900 0.072 0.000 1.117 404 Y CA 0.940 59.065 58.100 0.041 0.000 1.184 404 Y CB 0.250 38.759 38.460 0.080 0.000 1.047 404 Y HN 0.575 nan 8.280 nan 0.000 0.546 405 H N -0.781 118.342 119.070 0.088 0.000 2.336 405 H HA 0.239 4.795 4.556 -0.000 0.000 0.307 405 H C 1.115 176.472 175.328 0.049 0.000 1.056 405 H CA 0.538 56.591 56.048 0.008 0.000 1.471 405 H CB 0.093 29.775 29.762 -0.133 0.000 1.502 405 H HN 0.234 nan 8.280 nan 0.000 0.630 406 G N 0.616 109.410 108.800 -0.010 0.000 2.599 406 G HA2 0.328 4.288 3.960 -0.000 0.000 0.264 406 G HA3 0.328 4.288 3.960 -0.000 0.000 0.264 406 G C -0.613 174.159 174.900 -0.213 0.000 1.200 406 G CA 0.140 45.202 45.100 -0.063 0.000 0.896 406 G HN 0.485 nan 8.290 nan 0.000 0.536 407 S N -1.103 114.276 115.700 -0.535 0.000 2.568 407 S HA 0.398 4.868 4.470 -0.000 0.000 0.293 407 S C 0.917 175.299 174.600 -0.363 0.000 1.089 407 S CA -0.540 57.393 58.200 -0.446 0.000 0.945 407 S CB 1.840 64.734 63.200 -0.510 0.000 1.077 407 S HN 0.373 nan 8.310 nan 0.000 0.485 408 V N 2.016 121.784 119.914 -0.244 0.000 2.282 408 V HA -0.179 3.941 4.120 -0.000 0.000 0.249 408 V C 2.899 178.972 176.094 -0.035 0.000 1.057 408 V CA 2.616 64.837 62.300 -0.131 0.000 1.032 408 V CB -1.115 30.643 31.823 -0.109 0.000 0.645 408 V HN 1.042 nan 8.190 nan 0.000 0.447 409 S N -0.192 115.513 115.700 0.008 0.000 2.353 409 S HA -0.269 4.200 4.470 -0.000 0.000 0.222 409 S C 2.113 176.877 174.600 0.273 0.000 1.035 409 S CA 2.081 60.411 58.200 0.217 0.000 1.025 409 S CB -0.526 62.883 63.200 0.348 0.000 0.902 409 S HN 0.904 nan 8.310 nan 0.000 0.440 410 H N -0.823 118.437 119.070 0.316 0.000 2.512 410 H HA 0.190 4.746 4.556 -0.000 0.000 0.279 410 H C 1.578 177.061 175.328 0.259 0.000 0.999 410 H CA 0.930 57.167 56.048 0.315 0.000 1.283 410 H CB -0.462 29.556 29.762 0.427 0.000 1.421 410 H HN 0.332 nan 8.280 nan 0.000 0.554 411 N N 1.538 120.226 118.700 -0.020 0.000 2.188 411 N HA -0.034 4.706 4.740 -0.000 0.000 0.184 411 N C 2.161 177.747 175.510 0.126 0.000 1.018 411 N CA 1.477 54.569 53.050 0.070 0.000 0.858 411 N CB -0.304 38.159 38.487 -0.040 0.000 0.989 411 N HN 0.526 nan 8.380 nan 0.000 0.426 412 A N 1.405 124.292 122.820 0.113 0.000 1.873 412 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 412 A C 2.188 179.851 177.584 0.132 0.000 1.186 412 A CA 0.944 53.050 52.037 0.115 0.000 0.616 412 A CB -0.345 18.727 19.000 0.120 0.000 0.823 412 A HN 0.190 nan 8.150 nan 0.000 0.442 413 R N -0.357 120.239 120.500 0.159 0.000 2.103 413 R HA -0.165 4.175 4.340 -0.000 0.000 0.242 413 R C 2.465 178.825 176.300 0.099 0.000 1.142 413 R CA 1.364 57.541 56.100 0.129 0.000 0.960 413 R CB -0.561 29.800 30.300 0.102 0.000 0.858 413 R HN 0.519 nan 8.270 nan 0.000 0.439 414 A N 0.794 123.694 122.820 0.135 0.000 1.902 414 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 414 A C 2.423 180.071 177.584 0.106 0.000 1.181 414 A CA 1.483 53.571 52.037 0.085 0.000 0.623 414 A CB -0.601 18.529 19.000 0.215 0.000 0.818 414 A HN 0.121 nan 8.150 nan 0.000 0.443 415 V N -0.215 119.792 119.914 0.156 0.000 2.287 415 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 415 V C 2.522 178.744 176.094 0.214 0.000 1.053 415 V CA 2.093 64.517 62.300 0.206 0.000 1.027 415 V CB -0.778 31.145 31.823 0.167 0.000 0.646 415 V HN 0.612 nan 8.190 nan 0.000 0.447 416 L N 0.195 121.495 121.223 0.129 0.000 2.042 416 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 416 L C 2.443 179.370 176.870 0.095 0.000 1.076 416 L CA 2.204 57.106 54.840 0.104 0.000 0.749 416 L CB -0.523 41.574 42.059 0.063 0.000 0.893 416 L HN 0.479 nan 8.230 nan 0.000 0.432 417 N N -0.373 118.360 118.700 0.054 0.000 2.166 417 N HA -0.281 4.459 4.740 -0.000 0.000 0.186 417 N C 2.095 177.602 175.510 -0.004 0.000 1.019 417 N CA 1.003 54.059 53.050 0.010 0.000 0.856 417 N CB 0.027 38.482 38.487 -0.053 0.000 0.993 417 N HN 0.277 nan 8.380 nan 0.000 0.426 418 R N -0.585 119.909 120.500 -0.010 0.000 2.081 418 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 418 R C 1.314 177.475 176.300 -0.232 0.000 1.131 418 R CA 1.591 57.614 56.100 -0.128 0.000 0.960 418 R CB -0.187 30.010 30.300 -0.173 0.000 0.856 418 R HN 0.348 nan 8.270 nan 0.000 0.436 419 Y N -0.944 119.360 120.300 0.007 0.000 2.436 419 Y HA 0.161 4.711 4.550 -0.000 0.000 0.288 419 Y C 1.620 177.510 175.900 -0.018 0.000 1.112 419 Y CA 0.501 58.600 58.100 -0.002 0.000 1.220 419 Y CB 0.565 39.013 38.460 -0.020 0.000 1.073 419 Y HN -0.004 nan 8.280 nan 0.000 0.552 420 L N -1.861 119.428 121.223 0.110 0.000 2.840 420 L HA 0.422 4.762 4.340 -0.000 0.000 0.249 420 L C 0.961 177.820 176.870 -0.019 0.000 1.119 420 L CA 0.292 55.153 54.840 0.036 0.000 0.930 420 L CB 0.457 42.524 42.059 0.014 0.000 1.295 420 L HN 0.266 nan 8.230 nan 0.000 0.534 421 G N 0.693 109.485 108.800 -0.014 0.000 2.681 421 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.220 421 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.220 421 G C 0.038 174.914 174.900 -0.040 0.000 1.353 421 G CA 0.313 45.388 45.100 -0.041 0.000 0.872 421 G HN 0.267 nan 8.290 nan 0.000 0.557 422 Y N -1.556 118.774 120.300 0.050 0.000 2.519 422 Y HA 0.504 5.054 4.550 -0.000 0.000 0.287 422 Y C 1.124 177.092 175.900 0.112 0.000 1.128 422 Y CA 0.433 58.561 58.100 0.047 0.000 1.282 422 Y CB -0.207 38.269 38.460 0.026 0.000 1.027 422 Y HN 0.828 nan 8.280 nan 0.000 0.551 423 Y N 4.214 124.239 120.300 -0.458 0.000 2.327 423 Y HA 0.252 4.802 4.550 -0.000 0.000 0.336 423 Y C 0.945 176.773 175.900 -0.120 0.000 1.035 423 Y CA -2.211 55.721 58.100 -0.280 0.000 1.165 423 Y CB 0.720 38.885 38.460 -0.490 0.000 1.181 423 Y HN 0.296 nan 8.280 nan 0.000 0.494 424 D N 2.903 123.051 120.400 -0.420 0.000 2.349 424 D HA 0.078 4.718 4.640 -0.000 0.000 0.224 424 D C 1.595 177.515 176.300 -0.633 0.000 1.029 424 D CA 0.798 54.557 54.000 -0.401 0.000 0.879 424 D CB -0.215 40.486 40.800 -0.164 0.000 0.906 424 D HN 0.950 nan 8.370 nan 0.000 0.528 425 G N 0.416 108.381 108.800 -1.391 0.000 2.225 425 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.254 425 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.254 425 G C 0.177 174.801 174.900 -0.459 0.000 0.988 425 G CA 0.137 44.697 45.100 -0.899 0.000 0.625 425 G HN 0.627 nan 8.290 nan 0.000 0.527 426 N N 1.397 119.880 118.700 -0.362 0.000 2.420 426 N HA 0.495 5.235 4.740 -0.000 0.000 0.249 426 N C -1.168 174.421 175.510 0.132 0.000 1.033 426 N CA -2.264 50.749 53.050 -0.061 0.000 0.944 426 N CB 1.603 40.065 38.487 -0.042 0.000 1.113 426 N HN 0.029 nan 8.380 nan 0.000 0.502 427 P HA -0.023 nan 4.420 nan 0.000 0.228 427 P C 0.766 178.153 177.300 0.145 0.000 1.151 427 P CA 0.614 63.845 63.100 0.219 0.000 0.770 427 P CB 0.184 31.965 31.700 0.134 0.000 0.786 428 A N -0.058 122.828 122.820 0.110 0.000 2.032 428 A HA -0.196 4.124 4.320 -0.000 0.000 0.221 428 A C 2.045 179.693 177.584 0.106 0.000 1.165 428 A CA 2.400 54.488 52.037 0.085 0.000 0.645 428 A CB -1.669 17.371 19.000 0.066 0.000 0.807 428 A HN 0.364 nan 8.150 nan 0.000 0.453 429 T N -3.763 110.890 114.554 0.166 0.000 3.092 429 T HA 0.276 4.626 4.350 -0.000 0.000 0.258 429 T C 1.281 176.121 174.700 0.233 0.000 1.031 429 T CA 0.489 62.704 62.100 0.192 0.000 0.925 429 T CB 0.024 69.015 68.868 0.205 0.000 1.036 429 T HN 0.140 nan 8.240 nan 0.000 0.544 430 L N 1.389 122.720 121.223 0.180 0.000 2.109 430 L HA 0.353 4.692 4.340 -0.000 0.000 0.207 430 L C 0.369 177.215 176.870 -0.040 0.000 1.086 430 L CA 1.676 56.499 54.840 -0.027 0.000 0.760 430 L CB -0.158 41.848 42.059 -0.088 0.000 0.910 430 L HN 0.210 nan 8.230 nan 0.000 0.437 431 D N 0.587 120.990 120.400 0.005 0.000 2.607 431 D HA 0.272 4.912 4.640 -0.000 0.000 0.318 431 D C -2.386 173.921 176.300 0.012 0.000 1.212 431 D CA -1.677 52.320 54.000 -0.005 0.000 0.861 431 D CB 0.367 41.159 40.800 -0.013 0.000 1.064 431 D HN 0.225 nan 8.370 nan 0.000 0.500 432 P HA 0.231 nan 4.420 nan 0.000 0.281 432 P C 0.315 177.621 177.300 0.010 0.000 1.252 432 P CA -0.466 62.649 63.100 0.026 0.000 0.778 432 P CB 1.133 32.857 31.700 0.041 0.000 0.895 433 L N 1.592 122.822 121.223 0.012 0.000 2.543 433 L HA -0.021 4.319 4.340 -0.000 0.000 0.285 433 L C 1.170 178.048 176.870 0.013 0.000 1.236 433 L CA 0.239 55.086 54.840 0.011 0.000 0.871 433 L CB -0.295 41.771 42.059 0.012 0.000 1.121 433 L HN 0.464 nan 8.230 nan 0.000 0.501 434 S N 4.344 120.051 115.700 0.012 0.000 2.563 434 S HA 0.025 4.495 4.470 -0.000 0.000 0.284 434 S C -1.131 173.489 174.600 0.034 0.000 1.331 434 S CA -0.969 57.241 58.200 0.017 0.000 1.047 434 S CB 0.754 63.971 63.200 0.029 0.000 0.859 434 S HN 0.546 nan 8.310 nan 0.000 0.514 435 P HA -0.207 nan 4.420 nan 0.000 0.216 435 P C 1.379 178.753 177.300 0.123 0.000 1.150 435 P CA 1.211 64.284 63.100 -0.046 0.000 0.843 435 P CB -0.012 31.481 31.700 -0.345 0.000 0.787 436 E N 0.018 120.374 120.200 0.261 0.000 2.338 436 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 436 E C 0.803 177.485 176.600 0.135 0.000 1.007 436 E CA 1.124 57.681 56.400 0.262 0.000 0.849 436 E CB -0.773 29.058 29.700 0.217 0.000 0.774 436 E HN 0.227 nan 8.360 nan 0.000 0.506 437 D N 0.908 121.366 120.400 0.097 0.000 2.327 437 D HA -0.016 4.624 4.640 -0.000 0.000 0.205 437 D C 1.845 178.177 176.300 0.053 0.000 0.989 437 D CA 1.304 55.340 54.000 0.060 0.000 0.873 437 D CB 0.312 41.135 40.800 0.038 0.000 0.955 437 D HN 0.324 nan 8.370 nan 0.000 0.515 438 S N 0.052 115.798 115.700 0.077 0.000 2.492 438 S HA 0.242 4.712 4.470 -0.000 0.000 0.218 438 S C 2.098 176.795 174.600 0.162 0.000 1.016 438 S CA 0.412 58.658 58.200 0.075 0.000 0.916 438 S CB 0.284 63.555 63.200 0.119 0.000 0.791 438 S HN 0.133 nan 8.310 nan 0.000 0.513 439 A N 2.306 125.237 122.820 0.186 0.000 1.917 439 A HA 0.093 4.413 4.320 -0.000 0.000 0.219 439 A C 2.336 180.020 177.584 0.166 0.000 1.182 439 A CA 1.822 53.980 52.037 0.202 0.000 0.633 439 A CB -1.801 17.306 19.000 0.180 0.000 0.819 439 A HN 0.643 nan 8.150 nan 0.000 0.448 440 G N -0.902 107.963 108.800 0.109 0.000 2.422 440 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 440 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 440 G C 1.738 176.682 174.900 0.074 0.000 1.146 440 G CA 1.103 46.253 45.100 0.083 0.000 0.769 440 G HN 0.538 nan 8.290 nan 0.000 0.547 441 R N -0.844 119.667 120.500 0.017 0.000 2.092 441 R HA 0.064 4.404 4.340 -0.000 0.000 0.231 441 R C 2.263 178.480 176.300 -0.138 0.000 1.119 441 R CA 0.850 56.904 56.100 -0.077 0.000 0.970 441 R CB -0.621 29.527 30.300 -0.254 0.000 0.864 441 R HN 0.506 nan 8.270 nan 0.000 0.440 442 Y N -0.223 120.010 120.300 -0.112 0.000 2.128 442 Y HA -0.281 4.269 4.550 -0.000 0.000 0.284 442 Y C 2.268 178.196 175.900 0.046 0.000 1.154 442 Y CA 1.440 59.503 58.100 -0.062 0.000 1.149 442 Y CB -0.197 38.237 38.460 -0.044 0.000 0.976 442 Y HN -0.151 nan 8.280 nan 0.000 0.505 443 V N -0.076 119.965 119.914 0.212 0.000 2.307 443 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 443 V C 1.967 178.157 176.094 0.159 0.000 1.045 443 V CA 2.034 64.429 62.300 0.157 0.000 1.024 443 V CB -0.628 31.262 31.823 0.112 0.000 0.651 443 V HN 0.405 nan 8.190 nan 0.000 0.449 444 E N -0.678 119.620 120.200 0.164 0.000 2.048 444 E HA -0.289 4.061 4.350 -0.000 0.000 0.202 444 E C 2.140 178.889 176.600 0.248 0.000 1.021 444 E CA 2.314 58.826 56.400 0.187 0.000 0.825 444 E CB -0.377 29.452 29.700 0.214 0.000 0.756 444 E HN 0.724 nan 8.360 nan 0.000 0.454 445 Y N -0.324 120.001 120.300 0.041 0.000 2.333 445 Y HA -0.139 4.411 4.550 -0.000 0.000 0.290 445 Y C 2.137 178.077 175.900 0.066 0.000 1.144 445 Y CA 0.322 58.444 58.100 0.038 0.000 1.228 445 Y CB 0.046 38.514 38.460 0.014 0.000 0.985 445 Y HN 0.071 nan 8.280 nan 0.000 0.542 446 M N -0.975 118.775 119.600 0.250 0.000 2.494 446 M HA 0.194 4.674 4.480 -0.000 0.000 0.232 446 M C 1.190 177.566 176.300 0.126 0.000 1.137 446 M CA 0.810 56.222 55.300 0.185 0.000 1.012 446 M CB 0.543 33.261 32.600 0.197 0.000 1.567 446 M HN 0.371 nan 8.290 nan 0.000 0.486 447 G N 0.424 109.289 108.800 0.109 0.000 2.148 447 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.203 447 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.203 447 G C 0.348 175.287 174.900 0.066 0.000 0.993 447 G CA -0.242 44.901 45.100 0.073 0.000 0.661 447 G HN 0.913 nan 8.290 nan 0.000 0.518 448 G N -1.660 107.187 108.800 0.079 0.000 2.663 448 G HA2 0.408 4.368 3.960 -0.000 0.000 0.686 448 G HA3 0.408 4.368 3.960 -0.000 0.000 0.686 448 G C 0.988 175.924 174.900 0.060 0.000 1.288 448 G CA 0.760 45.898 45.100 0.064 0.000 0.836 448 G HN 1.842 nan 8.290 nan 0.000 0.584 449 A N -0.518 122.331 122.820 0.048 0.000 1.902 449 A HA 0.054 4.374 4.320 -0.000 0.000 0.217 449 A C 2.155 179.758 177.584 0.032 0.000 1.181 449 A CA 2.408 54.468 52.037 0.039 0.000 0.623 449 A CB -0.413 18.604 19.000 0.028 0.000 0.818 449 A HN 0.761 nan 8.150 nan 0.000 0.443 450 E N -0.370 119.847 120.200 0.029 0.000 2.077 450 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 450 E C 2.227 178.847 176.600 0.033 0.000 0.989 450 E CA 0.639 57.054 56.400 0.025 0.000 0.800 450 E CB -0.367 29.346 29.700 0.021 0.000 0.746 450 E HN 0.383 nan 8.360 nan 0.000 0.452 451 R N 0.747 121.272 120.500 0.042 0.000 2.073 451 R HA -0.063 4.277 4.340 -0.000 0.000 0.234 451 R C 2.538 178.876 176.300 0.063 0.000 1.134 451 R CA 0.609 56.740 56.100 0.052 0.000 0.952 451 R CB -0.900 29.434 30.300 0.057 0.000 0.850 451 R HN 0.246 nan 8.270 nan 0.000 0.433 452 L N 0.829 122.091 121.223 0.066 0.000 1.970 452 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 452 L C 2.385 179.286 176.870 0.052 0.000 1.071 452 L CA 1.424 56.306 54.840 0.070 0.000 0.751 452 L CB -0.387 41.709 42.059 0.061 0.000 0.889 452 L HN 0.185 nan 8.230 nan 0.000 0.432 453 L N -0.280 120.962 121.223 0.033 0.000 2.043 453 L HA -0.308 4.032 4.340 -0.000 0.000 0.212 453 L C 2.626 179.517 176.870 0.034 0.000 1.075 453 L CA 1.880 56.731 54.840 0.019 0.000 0.752 453 L CB -0.656 41.406 42.059 0.005 0.000 0.891 453 L HN 0.450 nan 8.230 nan 0.000 0.432 454 E N -0.113 120.112 120.200 0.042 0.000 2.038 454 E HA -0.279 4.071 4.350 -0.000 0.000 0.195 454 E C 2.198 178.841 176.600 0.071 0.000 1.000 454 E CA 1.553 57.983 56.400 0.049 0.000 0.803 454 E CB 0.015 29.743 29.700 0.046 0.000 0.750 454 E HN 0.554 nan 8.360 nan 0.000 0.448 455 Q N -0.254 119.598 119.800 0.087 0.000 2.119 455 Q HA -0.115 4.225 4.340 -0.000 0.000 0.201 455 Q C 2.144 178.236 176.000 0.153 0.000 0.972 455 Q CA 1.205 57.080 55.803 0.120 0.000 0.847 455 Q CB -0.097 28.726 28.738 0.142 0.000 0.903 455 Q HN 0.297 nan 8.270 nan 0.000 0.433 456 A N 1.398 124.295 122.820 0.128 0.000 1.898 456 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 456 A C 2.007 179.679 177.584 0.147 0.000 1.181 456 A CA 1.137 53.248 52.037 0.123 0.000 0.620 456 A CB -0.357 18.660 19.000 0.029 0.000 0.819 456 A HN 0.194 nan 8.150 nan 0.000 0.442 457 R N -0.411 120.152 120.500 0.104 0.000 2.105 457 R HA -0.135 4.205 4.340 -0.000 0.000 0.239 457 R C 2.418 178.823 176.300 0.175 0.000 1.135 457 R CA 1.268 57.437 56.100 0.116 0.000 0.967 457 R CB -0.477 29.853 30.300 0.049 0.000 0.861 457 R HN 0.523 nan 8.270 nan 0.000 0.442 458 A N 0.501 123.404 122.820 0.139 0.000 1.898 458 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 458 A C 2.201 179.859 177.584 0.123 0.000 1.181 458 A CA 1.626 53.737 52.037 0.123 0.000 0.620 458 A CB -0.339 18.718 19.000 0.094 0.000 0.819 458 A HN 0.225 nan 8.150 nan 0.000 0.442 459 S N -1.698 114.094 115.700 0.155 0.000 2.368 459 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 459 S C 1.800 176.444 174.600 0.074 0.000 1.029 459 S CA 1.355 59.639 58.200 0.140 0.000 0.988 459 S CB -0.582 62.815 63.200 0.329 0.000 0.838 459 S HN 0.691 nan 8.310 nan 0.000 0.462 460 Y N 2.308 122.642 120.300 0.057 0.000 2.165 460 Y HA -0.189 4.361 4.550 -0.000 0.000 0.286 460 Y C 2.362 178.297 175.900 0.058 0.000 1.155 460 Y CA 1.192 59.348 58.100 0.093 0.000 1.164 460 Y CB -0.515 38.032 38.460 0.144 0.000 0.978 460 Y HN 0.243 nan 8.280 nan 0.000 0.513 461 A N 0.257 123.219 122.820 0.237 0.000 2.067 461 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 461 A C 2.059 179.682 177.584 0.065 0.000 1.158 461 A CA 1.215 53.380 52.037 0.213 0.000 0.661 461 A CB -0.457 18.671 19.000 0.214 0.000 0.801 461 A HN 0.532 nan 8.150 nan 0.000 0.452 462 R N -1.215 119.183 120.500 -0.169 0.000 2.310 462 R HA 0.200 4.540 4.340 -0.000 0.000 0.202 462 R C 1.143 176.656 176.300 -1.312 0.000 0.933 462 R CA 0.467 56.308 56.100 -0.431 0.000 1.054 462 R CB -0.071 30.091 30.300 -0.229 0.000 0.985 462 R HN 0.614 nan 8.270 nan 0.000 0.489 463 G N 1.801 109.740 108.800 -1.435 0.000 2.160 463 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.251 463 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.251 463 G C -0.091 173.897 174.900 -1.519 0.000 1.008 463 G CA 0.026 43.943 45.100 -1.972 0.000 0.724 463 G HN 0.454 nan 8.290 nan 0.000 0.514 464 E N -0.048 119.623 120.200 -0.882 0.000 2.392 464 E HA 0.314 4.664 4.350 -0.000 0.000 0.307 464 E C 0.995 177.481 176.600 -0.191 0.000 1.505 464 E CA -0.525 55.638 56.400 -0.395 0.000 1.716 464 E CB -0.201 29.429 29.700 -0.117 0.000 1.450 464 E HN 0.745 nan 8.360 nan 0.000 0.484 465 Y N 0.116 120.351 120.300 -0.108 0.000 2.224 465 Y HA -0.188 4.362 4.550 -0.000 0.000 0.289 465 Y C 2.298 178.189 175.900 -0.016 0.000 1.146 465 Y CA 0.446 58.495 58.100 -0.085 0.000 1.182 465 Y CB -0.008 38.365 38.460 -0.146 0.000 0.983 465 Y HN 0.160 nan 8.280 nan 0.000 0.524 466 R N -0.407 120.181 120.500 0.147 0.000 2.115 466 R HA -0.194 4.146 4.340 -0.000 0.000 0.230 466 R C 2.172 178.581 176.300 0.181 0.000 1.111 466 R CA 1.507 57.699 56.100 0.153 0.000 0.976 466 R CB -0.535 29.864 30.300 0.164 0.000 0.870 466 R HN 0.584 nan 8.270 nan 0.000 0.445 467 W N 0.974 122.281 121.300 0.012 0.000 2.407 467 W HA -0.140 4.520 4.660 -0.000 0.000 0.305 467 W C 1.431 177.965 176.519 0.025 0.000 1.196 467 W CA 0.956 58.304 57.345 0.006 0.000 1.311 467 W CB -0.187 29.260 29.460 -0.021 0.000 1.135 467 W HN -0.156 nan 8.180 nan 0.000 0.514 468 V N 2.239 122.059 119.914 -0.156 0.000 2.324 468 V HA -0.358 3.762 4.120 -0.000 0.000 0.250 468 V C 2.518 178.473 176.094 -0.232 0.000 1.060 468 V CA 2.586 64.744 62.300 -0.237 0.000 1.042 468 V CB -1.458 30.426 31.823 0.103 0.000 0.650 468 V HN 0.313 nan 8.190 nan 0.000 0.450 469 V N -1.666 118.189 119.914 -0.098 0.000 2.667 469 V HA -0.180 3.940 4.120 -0.000 0.000 0.252 469 V C 2.190 178.194 176.094 -0.150 0.000 1.065 469 V CA 2.164 64.422 62.300 -0.070 0.000 1.083 469 V CB -0.627 31.211 31.823 0.024 0.000 0.692 469 V HN 0.636 nan 8.190 nan 0.000 0.468 470 E N 0.192 120.259 120.200 -0.222 0.000 2.047 470 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 470 E C 2.174 178.510 176.600 -0.441 0.000 0.987 470 E CA 1.729 57.963 56.400 -0.277 0.000 0.799 470 E CB 0.082 29.667 29.700 -0.192 0.000 0.752 470 E HN 0.482 nan 8.360 nan 0.000 0.449 471 V N -0.084 119.402 119.914 -0.713 0.000 2.446 471 V HA -0.115 4.005 4.120 -0.000 0.000 0.244 471 V C 2.134 178.000 176.094 -0.380 0.000 1.039 471 V CA 1.047 62.929 62.300 -0.697 0.000 1.045 471 V CB 0.350 31.496 31.823 -1.129 0.000 0.681 471 V HN 0.188 nan 8.190 nan 0.000 0.459 472 V N 1.135 120.861 119.914 -0.313 0.000 2.626 472 V HA -0.190 3.930 4.120 -0.000 0.000 0.252 472 V C 2.328 178.365 176.094 -0.095 0.000 1.067 472 V CA 2.152 64.357 62.300 -0.158 0.000 1.081 472 V CB -1.247 30.509 31.823 -0.111 0.000 0.686 472 V HN 0.731 nan 8.190 nan 0.000 0.468 473 N N 0.629 119.259 118.700 -0.118 0.000 2.149 473 N HA -0.205 4.535 4.740 -0.000 0.000 0.188 473 N C 1.954 177.446 175.510 -0.031 0.000 1.019 473 N CA 1.316 54.338 53.050 -0.046 0.000 0.857 473 N CB -0.083 38.329 38.487 -0.125 0.000 0.997 473 N HN 0.292 nan 8.380 nan 0.000 0.426 474 R N 0.119 120.529 120.500 -0.150 0.000 2.083 474 R HA -0.117 4.223 4.340 -0.000 0.000 0.237 474 R C 2.024 178.341 176.300 0.029 0.000 1.137 474 R CA 0.874 56.905 56.100 -0.115 0.000 0.951 474 R CB -1.400 28.756 30.300 -0.241 0.000 0.851 474 R HN 0.350 nan 8.270 nan 0.000 0.434 475 L N 0.985 122.213 121.223 0.008 0.000 2.093 475 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 475 L C 2.193 179.100 176.870 0.062 0.000 1.085 475 L CA 1.351 56.214 54.840 0.037 0.000 0.755 475 L CB -0.387 41.678 42.059 0.010 0.000 0.904 475 L HN -0.135 nan 8.230 nan 0.000 0.435 476 V N -0.708 119.255 119.914 0.081 0.000 2.343 476 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 476 V C 2.315 178.467 176.094 0.096 0.000 1.051 476 V CA 1.894 64.244 62.300 0.084 0.000 1.036 476 V CB -0.810 31.081 31.823 0.114 0.000 0.654 476 V HN 0.347 nan 8.190 nan 0.000 0.451 477 F N 0.451 120.387 119.950 -0.023 0.000 2.325 477 F HA 0.034 4.561 4.527 -0.000 0.000 0.299 477 F C 2.263 178.063 175.800 -0.000 0.000 1.090 477 F CA 0.973 58.966 58.000 -0.012 0.000 1.392 477 F CB -0.584 38.405 39.000 -0.019 0.000 1.053 477 F HN 0.092 nan 8.300 nan 0.000 0.521 478 A N -0.732 122.179 122.820 0.151 0.000 1.935 478 A HA 0.013 4.333 4.320 -0.000 0.000 0.214 478 A C 0.769 178.379 177.584 0.043 0.000 1.178 478 A CA 0.795 52.887 52.037 0.093 0.000 0.640 478 A CB -0.208 18.848 19.000 0.092 0.000 0.825 478 A HN 0.324 nan 8.150 nan 0.000 0.447 479 E N -0.693 119.524 120.200 0.028 0.000 3.132 479 E HA 0.181 4.531 4.350 -0.000 0.000 0.241 479 E C -2.381 174.207 176.600 -0.020 0.000 1.196 479 E CA -1.642 54.760 56.400 0.004 0.000 0.869 479 E CB 1.291 30.998 29.700 0.012 0.000 1.387 479 E HN 0.222 nan 8.360 nan 0.000 0.393 480 P HA -0.150 nan 4.420 nan 0.000 0.230 480 P C 0.887 178.152 177.300 -0.058 0.000 1.158 480 P CA 0.963 64.014 63.100 -0.082 0.000 0.769 480 P CB 0.192 31.815 31.700 -0.129 0.000 0.807 481 D N -2.108 118.267 120.400 -0.041 0.000 2.349 481 D HA -0.072 4.568 4.640 -0.000 0.000 0.215 481 D C 0.369 176.651 176.300 -0.030 0.000 1.016 481 D CA 0.092 54.071 54.000 -0.034 0.000 0.870 481 D CB -0.999 39.785 40.800 -0.026 0.000 0.917 481 D HN -0.042 nan 8.370 nan 0.000 0.524 482 N N 2.000 120.684 118.700 -0.026 0.000 2.406 482 N HA -0.058 4.682 4.740 -0.000 0.000 0.269 482 N C 1.099 176.590 175.510 -0.032 0.000 1.210 482 N CA -0.031 53.005 53.050 -0.022 0.000 0.966 482 N CB 0.424 38.903 38.487 -0.013 0.000 1.293 482 N HN 0.198 nan 8.380 nan 0.000 0.491 483 R N 3.437 123.915 120.500 -0.036 0.000 2.083 483 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 483 R C 1.528 177.796 176.300 -0.054 0.000 1.137 483 R CA 1.675 57.746 56.100 -0.048 0.000 0.951 483 R CB -0.247 30.026 30.300 -0.046 0.000 0.851 483 R HN 0.608 nan 8.270 nan 0.000 0.434 484 A N 0.672 123.465 122.820 -0.045 0.000 1.940 484 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 484 A C 2.340 179.891 177.584 -0.055 0.000 1.176 484 A CA 1.893 53.900 52.037 -0.050 0.000 0.631 484 A CB -0.648 18.329 19.000 -0.037 0.000 0.814 484 A HN 0.557 nan 8.150 nan 0.000 0.446 485 A N -0.287 122.507 122.820 -0.042 0.000 1.872 485 A HA -0.106 4.214 4.320 -0.000 0.000 0.214 485 A C 2.226 179.783 177.584 -0.046 0.000 1.187 485 A CA 1.356 53.369 52.037 -0.039 0.000 0.614 485 A CB -0.442 18.545 19.000 -0.021 0.000 0.826 485 A HN 0.544 nan 8.150 nan 0.000 0.442 486 R N -0.627 119.844 120.500 -0.047 0.000 2.091 486 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 486 R C 2.163 178.417 176.300 -0.078 0.000 1.136 486 R CA 1.650 57.717 56.100 -0.054 0.000 0.959 486 R CB -0.270 29.992 30.300 -0.062 0.000 0.856 486 R HN 0.590 nan 8.270 nan 0.000 0.437 487 E N 0.545 120.690 120.200 -0.092 0.000 2.072 487 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 487 E C 1.717 178.240 176.600 -0.130 0.000 0.985 487 E CA 0.696 57.027 56.400 -0.115 0.000 0.801 487 E CB -0.028 29.606 29.700 -0.109 0.000 0.750 487 E HN 0.074 nan 8.360 nan 0.000 0.452 488 L N 0.653 121.798 121.223 -0.129 0.000 2.027 488 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 488 L C 2.246 179.052 176.870 -0.107 0.000 1.074 488 L CA 1.872 56.611 54.840 -0.168 0.000 0.745 488 L CB -0.833 41.140 42.059 -0.143 0.000 0.898 488 L HN 0.098 nan 8.230 nan 0.000 0.433 489 Q N -0.002 119.758 119.800 -0.066 0.000 2.112 489 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 489 Q C 2.125 178.106 176.000 -0.033 0.000 0.987 489 Q CA 2.448 58.231 55.803 -0.032 0.000 0.858 489 Q CB -0.548 28.180 28.738 -0.018 0.000 0.905 489 Q HN 0.603 nan 8.270 nan 0.000 0.420 490 A N 0.351 123.135 122.820 -0.060 0.000 1.877 490 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 490 A C 1.881 179.409 177.584 -0.094 0.000 1.186 490 A CA 1.817 53.810 52.037 -0.074 0.000 0.620 490 A CB -0.905 18.029 19.000 -0.108 0.000 0.822 490 A HN 0.500 nan 8.150 nan 0.000 0.443 491 D N 0.054 120.393 120.400 -0.103 0.000 2.123 491 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 491 D C 2.219 178.501 176.300 -0.030 0.000 0.992 491 D CA 1.704 55.649 54.000 -0.091 0.000 0.833 491 D CB -0.428 40.266 40.800 -0.178 0.000 0.954 491 D HN 0.432 nan 8.370 nan 0.000 0.455 492 A N 0.302 123.160 122.820 0.064 0.000 1.898 492 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 492 A C 2.399 179.875 177.584 -0.180 0.000 1.181 492 A CA 0.763 52.816 52.037 0.026 0.000 0.620 492 A CB -0.727 18.404 19.000 0.219 0.000 0.819 492 A HN 0.194 nan 8.150 nan 0.000 0.442 493 L N -0.652 120.502 121.223 -0.114 0.000 2.042 493 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 493 L C 2.629 179.336 176.870 -0.271 0.000 1.076 493 L CA 1.938 56.699 54.840 -0.132 0.000 0.749 493 L CB -0.502 41.592 42.059 0.058 0.000 0.893 493 L HN 0.600 nan 8.230 nan 0.000 0.432 494 E N -0.413 119.615 120.200 -0.287 0.000 2.085 494 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 494 E C 2.265 178.385 176.600 -0.801 0.000 0.994 494 E CA 1.190 57.295 56.400 -0.491 0.000 0.801 494 E CB 0.106 29.529 29.700 -0.461 0.000 0.743 494 E HN 0.410 nan 8.360 nan 0.000 0.453 495 Q N 0.289 119.689 119.800 -0.666 0.000 2.096 495 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 495 Q C 2.484 178.261 176.000 -0.372 0.000 0.982 495 Q CA 1.121 56.571 55.803 -0.589 0.000 0.850 495 Q CB -0.342 27.798 28.738 -0.996 0.000 0.901 495 Q HN 0.433 nan 8.270 nan 0.000 0.422 496 L N -0.282 120.666 121.223 -0.457 0.000 2.131 496 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 496 L C 2.341 179.002 176.870 -0.349 0.000 1.092 496 L CA 1.158 55.711 54.840 -0.477 0.000 0.759 496 L CB -0.820 40.638 42.059 -1.002 0.000 0.903 496 L HN 0.278 nan 8.230 nan 0.000 0.435 497 G N -0.968 107.659 108.800 -0.289 0.000 2.404 497 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.215 497 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.215 497 G C 1.299 176.332 174.900 0.222 0.000 1.174 497 G CA 0.375 45.542 45.100 0.112 0.000 0.780 497 G HN 0.185 nan 8.290 nan 0.000 0.537 498 Y N 1.199 121.535 120.300 0.059 0.000 2.151 498 Y HA -0.160 4.390 4.550 -0.000 0.000 0.284 498 Y C 3.055 179.018 175.900 0.105 0.000 1.166 498 Y CA 1.151 59.297 58.100 0.076 0.000 1.163 498 Y CB -0.929 37.556 38.460 0.041 0.000 0.974 498 Y HN 0.336 nan 8.280 nan 0.000 0.511 499 Q N -0.246 119.710 119.800 0.259 0.000 2.297 499 Q HA 0.108 4.448 4.340 -0.000 0.000 0.204 499 Q C 0.923 177.053 176.000 0.217 0.000 0.962 499 Q CA 0.477 56.409 55.803 0.215 0.000 0.879 499 Q CB -0.145 28.703 28.738 0.184 0.000 0.947 499 Q HN 0.325 nan 8.270 nan 0.000 0.462 500 A N 1.454 124.428 122.820 0.256 0.000 2.491 500 A HA -0.046 4.274 4.320 -0.000 0.000 0.261 500 A C 0.806 178.524 177.584 0.223 0.000 1.101 500 A CA -0.007 52.200 52.037 0.283 0.000 0.772 500 A CB 0.322 19.591 19.000 0.449 0.000 1.043 500 A HN 0.313 nan 8.150 nan 0.000 0.501 501 E N 2.548 122.830 120.200 0.136 0.000 2.208 501 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 501 E C 0.655 177.355 176.600 0.166 0.000 0.988 501 E CA 0.218 56.710 56.400 0.153 0.000 0.828 501 E CB 0.054 29.781 29.700 0.044 0.000 0.763 501 E HN 0.794 nan 8.360 nan 0.000 0.478 502 N N -0.106 118.608 118.700 0.023 0.000 2.472 502 N HA 0.044 4.784 4.740 -0.000 0.000 0.277 502 N C 0.375 175.998 175.510 0.188 0.000 1.081 502 N CA 0.457 53.517 53.050 0.016 0.000 0.973 502 N CB 1.620 39.887 38.487 -0.368 0.000 1.105 502 N HN 0.118 nan 8.380 nan 0.000 0.470 503 A N 3.725 126.668 122.820 0.205 0.000 1.930 503 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 503 A C 1.903 179.589 177.584 0.170 0.000 1.175 503 A CA 1.665 53.818 52.037 0.192 0.000 0.627 503 A CB -0.886 18.211 19.000 0.162 0.000 0.815 503 A HN 0.770 nan 8.150 nan 0.000 0.443 504 G N -1.361 107.528 108.800 0.148 0.000 2.418 504 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 504 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 504 G C 1.299 176.322 174.900 0.205 0.000 1.158 504 G CA 1.003 46.165 45.100 0.103 0.000 0.771 504 G HN 0.573 nan 8.290 nan 0.000 0.545 505 W N 0.685 121.984 121.300 -0.002 0.000 2.355 505 W HA 0.058 4.718 4.660 -0.000 0.000 0.309 505 W C 2.764 179.337 176.519 0.090 0.000 1.206 505 W CA 0.930 58.266 57.345 -0.016 0.000 1.284 505 W CB -0.661 28.873 29.460 0.123 0.000 1.145 505 W HN 0.131 nan 8.180 nan 0.000 0.502 506 R N 0.462 121.220 120.500 0.431 0.000 2.080 506 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 506 R C 1.852 178.293 176.300 0.236 0.000 1.137 506 R CA 2.023 58.339 56.100 0.359 0.000 0.943 506 R CB -0.694 29.784 30.300 0.297 0.000 0.846 506 R HN 0.099 nan 8.270 nan 0.000 0.431 507 N N 0.213 119.011 118.700 0.164 0.000 2.166 507 N HA -0.097 4.643 4.740 -0.000 0.000 0.186 507 N C 1.814 177.330 175.510 0.010 0.000 1.019 507 N CA 1.565 54.670 53.050 0.092 0.000 0.856 507 N CB -0.311 38.224 38.487 0.081 0.000 0.993 507 N HN 0.171 nan 8.380 nan 0.000 0.426 508 S N 0.310 116.000 115.700 -0.015 0.000 2.348 508 S HA -0.081 4.389 4.470 -0.000 0.000 0.221 508 S C 1.868 176.362 174.600 -0.177 0.000 1.033 508 S CA 0.858 58.987 58.200 -0.118 0.000 1.010 508 S CB -0.519 62.574 63.200 -0.179 0.000 0.891 508 S HN 0.411 nan 8.310 nan 0.000 0.442 509 Y N 1.648 121.923 120.300 -0.041 0.000 2.128 509 Y HA -0.108 4.442 4.550 -0.000 0.000 0.284 509 Y C 2.212 178.052 175.900 -0.101 0.000 1.154 509 Y CA 0.904 58.970 58.100 -0.058 0.000 1.149 509 Y CB -0.332 38.124 38.460 -0.007 0.000 0.976 509 Y HN 0.163 nan 8.280 nan 0.000 0.505 510 L N -1.400 119.875 121.223 0.087 0.000 2.217 510 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 510 L C 2.319 179.171 176.870 -0.031 0.000 1.107 510 L CA 0.844 55.701 54.840 0.028 0.000 0.783 510 L CB -0.542 41.562 42.059 0.075 0.000 0.919 510 L HN 0.113 nan 8.230 nan 0.000 0.442 511 S N 0.284 115.873 115.700 -0.184 0.000 2.371 511 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 511 S C 2.274 176.591 174.600 -0.471 0.000 1.029 511 S CA 1.113 59.080 58.200 -0.388 0.000 0.978 511 S CB -0.184 62.587 63.200 -0.714 0.000 0.833 511 S HN 0.477 nan 8.310 nan 0.000 0.466 512 A N 1.828 124.327 122.820 -0.535 0.000 1.877 512 A HA 0.072 4.392 4.320 -0.000 0.000 0.216 512 A C 2.376 179.943 177.584 -0.029 0.000 1.186 512 A CA 1.763 53.680 52.037 -0.200 0.000 0.620 512 A CB -1.194 17.805 19.000 -0.001 0.000 0.822 512 A HN 0.511 nan 8.150 nan 0.000 0.443 513 A N -1.591 121.216 122.820 -0.023 0.000 1.940 513 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 513 A C 2.153 179.723 177.584 -0.024 0.000 1.176 513 A CA 1.744 53.765 52.037 -0.027 0.000 0.631 513 A CB -0.842 18.131 19.000 -0.044 0.000 0.814 513 A HN 0.762 nan 8.150 nan 0.000 0.446 514 Y N 0.478 120.727 120.300 -0.085 0.000 2.145 514 Y HA -0.189 4.361 4.550 -0.000 0.000 0.286 514 Y C 2.332 178.224 175.900 -0.012 0.000 1.145 514 Y CA 2.254 60.345 58.100 -0.016 0.000 1.148 514 Y CB -0.110 38.373 38.460 0.040 0.000 0.981 514 Y HN 0.448 nan 8.280 nan 0.000 0.507 515 E N 0.007 120.330 120.200 0.205 0.000 2.152 515 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 515 E C 2.151 178.761 176.600 0.017 0.000 0.983 515 E CA 1.065 57.559 56.400 0.157 0.000 0.818 515 E CB -0.138 29.713 29.700 0.252 0.000 0.758 515 E HN 0.508 nan 8.360 nan 0.000 0.467 516 L N 0.431 121.644 121.223 -0.017 0.000 2.093 516 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 516 L C 2.479 179.259 176.870 -0.150 0.000 1.085 516 L CA 1.194 55.999 54.840 -0.057 0.000 0.755 516 L CB -0.170 41.864 42.059 -0.041 0.000 0.904 516 L HN 0.040 nan 8.230 nan 0.000 0.435 517 R N -1.605 118.723 120.500 -0.287 0.000 2.100 517 R HA -0.028 4.312 4.340 -0.000 0.000 0.220 517 R C 1.855 177.844 176.300 -0.518 0.000 1.091 517 R CA 0.789 56.601 56.100 -0.480 0.000 0.986 517 R CB -0.010 29.834 30.300 -0.760 0.000 0.888 517 R HN 0.414 nan 8.270 nan 0.000 0.444 518 H N -1.282 117.634 119.070 -0.257 0.000 2.885 518 H HA 0.291 4.847 4.556 -0.000 0.000 0.260 518 H C 0.905 176.138 175.328 -0.159 0.000 0.985 518 H CA 0.807 56.689 56.048 -0.276 0.000 1.210 518 H CB 1.100 30.542 29.762 -0.533 0.000 1.466 518 H HN 0.325 nan 8.280 nan 0.000 0.493 519 G N 0.861 109.654 108.800 -0.010 0.000 2.707 519 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.686 519 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.686 519 G C -0.513 174.413 174.900 0.045 0.000 1.315 519 G CA -0.313 44.793 45.100 0.010 0.000 0.832 519 G HN 0.161 nan 8.290 nan 0.000 0.573 520 V N 2.045 121.980 119.914 0.035 0.000 2.811 520 V HA 0.369 4.489 4.120 -0.000 0.000 0.302 520 V C -1.213 174.800 176.094 -0.135 0.000 1.063 520 V CA -0.562 61.743 62.300 0.009 0.000 1.088 520 V CB 1.080 32.947 31.823 0.073 0.000 0.982 520 V HN 0.723 nan 8.190 nan 0.000 0.485 521 P HA 0.079 nan 4.420 nan 0.000 0.260 521 P C 0.339 177.417 177.300 -0.369 0.000 1.172 521 P CA 0.391 63.178 63.100 -0.522 0.000 0.760 521 P CB 0.312 31.307 31.700 -1.175 0.000 0.773 522 R N 2.741 123.122 120.500 -0.198 0.000 2.334 522 R HA -0.013 4.327 4.340 -0.000 0.000 0.212 522 R C 0.983 177.240 176.300 -0.072 0.000 0.897 522 R CA 0.407 56.449 56.100 -0.098 0.000 1.056 522 R CB 0.289 30.556 30.300 -0.055 0.000 1.046 522 R HN 0.542 nan 8.270 nan 0.000 0.513 523 D N -0.255 120.082 120.400 -0.105 0.000 2.369 523 D HA -0.016 4.624 4.640 -0.000 0.000 0.211 523 D C -0.307 175.979 176.300 -0.023 0.000 1.077 523 D CA 0.024 53.991 54.000 -0.055 0.000 0.842 523 D CB 0.401 41.167 40.800 -0.056 0.000 0.947 523 D HN 0.074 nan 8.370 nan 0.000 0.509 531 S N 0.341 116.039 115.700 -0.003 0.000 2.481 531 S HA 0.498 4.968 4.470 -0.000 0.000 0.276 531 S C 1.637 176.241 174.600 0.007 0.000 1.247 531 S CA 0.797 59.002 58.200 0.008 0.000 1.053 531 S CB 0.922 64.136 63.200 0.023 0.000 0.925 531 S HN 1.707 nan 8.310 nan 0.000 0.491 532 A N 4.728 127.554 122.820 0.010 0.000 1.902 532 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 532 A C 1.801 179.390 177.584 0.008 0.000 1.181 532 A CA 1.814 53.855 52.037 0.007 0.000 0.623 532 A CB -0.738 18.268 19.000 0.011 0.000 0.818 532 A HN 0.850 nan 8.150 nan 0.000 0.443 533 D N -0.024 120.387 120.400 0.019 0.000 2.144 533 D HA -0.031 4.608 4.640 -0.000 0.000 0.199 533 D C 2.184 178.485 176.300 0.002 0.000 0.984 533 D CA 1.498 55.510 54.000 0.020 0.000 0.834 533 D CB -0.349 40.478 40.800 0.045 0.000 0.955 533 D HN 0.436 nan 8.370 nan 0.000 0.465 534 A N 0.644 123.470 122.820 0.009 0.000 1.929 534 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 534 A C 2.191 179.754 177.584 -0.035 0.000 1.176 534 A CA 0.509 52.541 52.037 -0.009 0.000 0.628 534 A CB -0.599 18.412 19.000 0.017 0.000 0.816 534 A HN 0.243 nan 8.150 nan 0.000 0.444 535 L N -0.621 120.585 121.223 -0.028 0.000 2.093 535 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 535 L C 2.773 179.624 176.870 -0.032 0.000 1.085 535 L CA 1.499 56.317 54.840 -0.037 0.000 0.755 535 L CB -0.532 41.510 42.059 -0.028 0.000 0.904 535 L HN 0.425 nan 8.230 nan 0.000 0.435 536 A N -0.278 122.529 122.820 -0.021 0.000 1.972 536 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 536 A C 2.299 179.871 177.584 -0.021 0.000 1.169 536 A CA 1.496 53.524 52.037 -0.015 0.000 0.635 536 A CB -0.557 18.441 19.000 -0.005 0.000 0.810 536 A HN 0.538 nan 8.150 nan 0.000 0.446 537 A N -1.355 121.442 122.820 -0.039 0.000 2.119 537 A HA 0.283 4.603 4.320 -0.000 0.000 0.216 537 A C 1.274 178.823 177.584 -0.059 0.000 1.152 537 A CA 0.411 52.413 52.037 -0.058 0.000 0.708 537 A CB -0.382 18.552 19.000 -0.111 0.000 0.805 537 A HN 0.573 nan 8.150 nan 0.000 0.460 538 M N 1.574 121.143 119.600 -0.052 0.000 2.217 538 M HA 0.113 4.593 4.480 -0.000 0.000 0.352 538 M C -0.276 176.013 176.300 -0.019 0.000 1.376 538 M CA -0.212 55.060 55.300 -0.047 0.000 1.107 538 M CB 0.146 32.713 32.600 -0.055 0.000 1.723 538 M HN 0.381 nan 8.290 nan 0.000 0.461 539 D N 3.208 123.605 120.400 -0.004 0.000 2.472 539 D HA -0.025 4.615 4.640 -0.000 0.000 0.237 539 D C 0.655 176.976 176.300 0.035 0.000 1.141 539 D CA 0.402 54.421 54.000 0.032 0.000 0.875 539 D CB 1.100 41.929 40.800 0.049 0.000 1.192 539 D HN 0.706 nan 8.370 nan 0.000 0.450 540 T N 2.384 116.967 114.554 0.048 0.000 2.746 540 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 540 T C 1.858 176.524 174.700 -0.057 0.000 1.039 540 T CA 1.122 63.205 62.100 -0.028 0.000 1.142 540 T CB -0.603 68.192 68.868 -0.121 0.000 0.866 540 T HN 0.636 nan 8.240 nan 0.000 0.444 541 G N 1.765 110.579 108.800 0.024 0.000 2.476 541 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 541 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 541 G C 1.517 176.500 174.900 0.139 0.000 1.164 541 G CA 1.037 46.230 45.100 0.155 0.000 0.768 541 G HN 0.431 nan 8.290 nan 0.000 0.560 542 L N 0.104 121.387 121.223 0.100 0.000 2.046 542 L HA 0.061 4.401 4.340 -0.000 0.000 0.208 542 L C 2.520 179.436 176.870 0.077 0.000 1.077 542 L CA 1.542 56.432 54.840 0.084 0.000 0.747 542 L CB -0.633 41.454 42.059 0.046 0.000 0.896 542 L HN 0.192 nan 8.230 nan 0.000 0.432 543 L N -0.847 120.388 121.223 0.021 0.000 2.013 543 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 543 L C 2.239 179.027 176.870 -0.136 0.000 1.073 543 L CA 2.038 56.837 54.840 -0.068 0.000 0.753 543 L CB -0.971 40.975 42.059 -0.188 0.000 0.890 543 L HN 0.264 nan 8.230 nan 0.000 0.432 544 F N -0.208 119.724 119.950 -0.031 0.000 2.325 544 F HA -0.133 4.394 4.527 -0.000 0.000 0.299 544 F C 2.241 178.047 175.800 0.010 0.000 1.090 544 F CA 1.109 59.089 58.000 -0.033 0.000 1.392 544 F CB -0.541 38.395 39.000 -0.106 0.000 1.053 544 F HN 0.172 nan 8.300 nan 0.000 0.521 545 D N -0.774 119.736 120.400 0.183 0.000 2.123 545 D HA -0.248 4.392 4.640 -0.000 0.000 0.196 545 D C 1.971 178.362 176.300 0.152 0.000 0.992 545 D CA 1.304 55.396 54.000 0.154 0.000 0.833 545 D CB -0.638 40.252 40.800 0.150 0.000 0.954 545 D HN 0.288 nan 8.370 nan 0.000 0.455 546 Y N 1.454 121.765 120.300 0.020 0.000 2.200 546 Y HA -0.094 4.456 4.550 -0.000 0.000 0.290 546 Y C 2.190 178.095 175.900 0.007 0.000 1.137 546 Y CA 1.055 59.166 58.100 0.017 0.000 1.163 546 Y CB -0.483 37.972 38.460 -0.009 0.000 0.988 546 Y HN -0.088 nan 8.280 nan 0.000 0.518 547 L N -0.685 120.445 121.223 -0.156 0.000 2.079 547 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 547 L C 2.652 179.426 176.870 -0.160 0.000 1.081 547 L CA 1.329 56.030 54.840 -0.231 0.000 0.752 547 L CB -1.300 40.667 42.059 -0.153 0.000 0.896 547 L HN 0.394 nan 8.230 nan 0.000 0.433 548 G N -0.360 108.406 108.800 -0.056 0.000 2.422 548 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 548 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 548 G C 1.593 176.479 174.900 -0.023 0.000 1.146 548 G CA 0.734 45.814 45.100 -0.034 0.000 0.769 548 G HN 0.199 nan 8.290 nan 0.000 0.547 549 V N 0.597 120.496 119.914 -0.025 0.000 2.490 549 V HA -0.154 3.966 4.120 -0.000 0.000 0.250 549 V C 2.778 178.877 176.094 0.008 0.000 1.061 549 V CA 1.789 64.102 62.300 0.022 0.000 1.064 549 V CB -0.412 31.464 31.823 0.090 0.000 0.670 549 V HN 0.342 nan 8.190 nan 0.000 0.461 550 R N -0.711 119.655 120.500 -0.223 0.000 2.275 550 R HA 0.105 4.445 4.340 -0.000 0.000 0.199 550 R C 0.676 176.837 176.300 -0.232 0.000 0.989 550 R CA -0.154 55.746 56.100 -0.333 0.000 1.016 550 R CB -0.108 29.867 30.300 -0.542 0.000 0.918 550 R HN 0.330 nan 8.270 nan 0.000 0.473 551 L N 2.492 123.634 121.223 -0.134 0.000 2.513 551 L HA -0.026 4.314 4.340 -0.000 0.000 0.272 551 L C -0.620 176.208 176.870 -0.069 0.000 1.187 551 L CA 0.529 55.309 54.840 -0.100 0.000 0.895 551 L CB 0.407 42.433 42.059 -0.054 0.000 1.147 551 L HN -0.054 nan 8.230 nan 0.000 0.483 552 D N 5.028 125.376 120.400 -0.087 0.000 2.344 552 D HA 0.183 4.823 4.640 -0.000 0.000 0.253 552 D C 0.983 177.265 176.300 -0.031 0.000 1.255 552 D CA 0.672 54.638 54.000 -0.057 0.000 0.894 552 D CB 1.546 42.301 40.800 -0.074 0.000 1.067 552 D HN 0.743 nan 8.370 nan 0.000 0.492 553 A N 3.031 125.846 122.820 -0.010 0.000 1.978 553 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 553 A C 2.164 179.746 177.584 -0.004 0.000 1.170 553 A CA 1.780 53.818 52.037 0.002 0.000 0.636 553 A CB -0.539 18.468 19.000 0.012 0.000 0.810 553 A HN 0.584 nan 8.150 nan 0.000 0.448 554 G N -0.510 108.285 108.800 -0.009 0.000 2.421 554 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.216 554 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.216 554 G C 1.744 176.636 174.900 -0.014 0.000 1.171 554 G CA 1.385 46.479 45.100 -0.010 0.000 0.775 554 G HN 0.800 nan 8.290 nan 0.000 0.543 555 A N 0.935 123.741 122.820 -0.023 0.000 1.930 555 A HA 0.372 4.692 4.320 -0.000 0.000 0.217 555 A C 2.689 180.261 177.584 -0.020 0.000 1.175 555 A CA 2.029 54.050 52.037 -0.026 0.000 0.627 555 A CB -0.551 18.422 19.000 -0.044 0.000 0.815 555 A HN 0.771 nan 8.150 nan 0.000 0.443 556 A N -0.501 122.309 122.820 -0.017 0.000 2.119 556 A HA 0.090 4.410 4.320 -0.000 0.000 0.216 556 A C 1.017 178.600 177.584 -0.000 0.000 1.152 556 A CA 0.479 52.511 52.037 -0.009 0.000 0.708 556 A CB -0.339 18.658 19.000 -0.006 0.000 0.805 556 A HN 0.610 nan 8.150 nan 0.000 0.460 557 E N -0.527 119.673 120.200 -0.000 0.000 2.465 557 E HA 0.295 4.645 4.350 -0.000 0.000 0.260 557 E C 1.225 177.827 176.600 0.003 0.000 0.980 557 E CA 0.690 57.092 56.400 0.004 0.000 0.927 557 E CB -0.034 29.667 29.700 0.002 0.000 0.934 557 E HN 0.639 nan 8.360 nan 0.000 0.459 558 G N 3.802 112.606 108.800 0.006 0.000 2.179 558 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 558 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 558 G C -0.073 174.830 174.900 0.005 0.000 0.977 558 G CA 0.304 45.407 45.100 0.005 0.000 0.641 558 G HN 0.458 nan 8.290 nan 0.000 0.533 559 K N 0.436 120.839 120.400 0.005 0.000 2.098 559 K HA 0.824 5.144 4.320 -0.000 0.000 0.261 559 K C 0.038 176.642 176.600 0.006 0.000 0.987 559 K CA 0.216 56.505 56.287 0.004 0.000 0.916 559 K CB 1.974 34.475 32.500 0.001 0.000 1.039 559 K HN 1.036 nan 8.250 nan 0.000 0.455 560 A N 1.952 124.775 122.820 0.005 0.000 2.459 560 A HA 0.662 4.982 4.320 -0.000 0.000 0.296 560 A C -1.402 176.183 177.584 0.002 0.000 1.039 560 A CA -0.790 51.250 52.037 0.005 0.000 0.698 560 A CB 0.854 19.858 19.000 0.007 0.000 1.261 560 A HN 0.575 nan 8.150 nan 0.000 0.405 561 L N -0.384 120.839 121.223 0.000 0.000 2.622 561 L HA 0.980 5.320 4.340 -0.000 0.000 0.258 561 L C -0.483 176.384 176.870 -0.005 0.000 0.996 561 L CA -0.442 54.397 54.840 -0.001 0.000 0.858 561 L CB 1.625 43.685 42.059 0.002 0.000 1.449 561 L HN 1.184 nan 8.230 nan 0.000 0.411 562 S N 0.458 116.153 115.700 -0.008 0.000 2.540 562 S HA 0.918 5.388 4.470 -0.000 0.000 0.275 562 S C -0.983 173.606 174.600 -0.017 0.000 1.123 562 S CA -0.559 57.632 58.200 -0.014 0.000 0.907 562 S CB 1.341 64.534 63.200 -0.013 0.000 1.081 562 S HN 0.766 nan 8.310 nan 0.000 0.476 563 I N 2.417 122.971 120.570 -0.027 0.000 2.499 563 I HA 0.361 4.531 4.170 -0.000 0.000 0.288 563 I C -0.889 175.202 176.117 -0.043 0.000 1.048 563 I CA -0.855 60.427 61.300 -0.031 0.000 1.062 563 I CB 2.079 40.061 38.000 -0.029 0.000 1.238 563 I HN 0.594 nan 8.210 nan 0.000 0.426 564 N N 5.845 124.525 118.700 -0.033 0.000 2.430 564 N HA 0.329 5.069 4.740 -0.000 0.000 0.265 564 N C -0.948 174.542 175.510 -0.034 0.000 1.100 564 N CA -0.246 52.785 53.050 -0.032 0.000 0.961 564 N CB 1.625 40.098 38.487 -0.024 0.000 1.075 564 N HN 0.364 nan 8.380 nan 0.000 0.478 565 L N 3.582 124.782 121.223 -0.038 0.000 2.305 565 L HA 0.427 4.767 4.340 -0.000 0.000 0.284 565 L C -0.376 176.507 176.870 0.021 0.000 1.013 565 L CA -0.484 54.337 54.840 -0.031 0.000 0.819 565 L CB 0.720 42.707 42.059 -0.120 0.000 1.227 565 L HN 0.371 nan 8.230 nan 0.000 0.417 566 R N 5.831 126.344 120.500 0.022 0.000 2.437 566 R HA 0.612 4.952 4.340 -0.000 0.000 0.310 566 R C -1.398 174.930 176.300 0.047 0.000 0.955 566 R CA -0.796 55.325 56.100 0.035 0.000 0.851 566 R CB 1.468 31.776 30.300 0.014 0.000 1.161 566 R HN 0.488 nan 8.270 nan 0.000 0.446 567 L N 4.697 125.962 121.223 0.071 0.000 2.387 567 L HA 0.337 4.677 4.340 -0.000 0.000 0.259 567 L C -1.937 174.965 176.870 0.052 0.000 1.050 567 L CA -1.585 53.297 54.840 0.069 0.000 0.922 567 L CB 1.620 43.740 42.059 0.102 0.000 1.280 567 L HN 0.347 nan 8.230 nan 0.000 0.449 568 P HA -0.159 nan 4.420 nan 0.000 0.217 568 P C 0.987 178.302 177.300 0.025 0.000 1.150 568 P CA 1.123 64.237 63.100 0.024 0.000 0.832 568 P CB 0.175 31.886 31.700 0.017 0.000 0.787 569 D N 0.668 121.085 120.400 0.027 0.000 2.144 569 D HA -0.170 4.470 4.640 -0.000 0.000 0.199 569 D C 1.701 178.017 176.300 0.027 0.000 0.984 569 D CA 1.301 55.315 54.000 0.024 0.000 0.834 569 D CB -1.255 39.558 40.800 0.022 0.000 0.955 569 D HN 0.335 nan 8.370 nan 0.000 0.465 570 I N -4.150 116.444 120.570 0.039 0.000 3.883 570 I HA 0.428 4.598 4.170 -0.000 0.000 0.326 570 I C 1.261 177.404 176.117 0.043 0.000 1.283 570 I CA 0.185 61.511 61.300 0.044 0.000 1.161 570 I CB -0.171 37.866 38.000 0.062 0.000 1.012 570 I HN 0.039 nan 8.210 nan 0.000 0.421 571 G N 2.268 111.090 108.800 0.036 0.000 2.366 571 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.299 571 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.299 571 G C -0.284 174.631 174.900 0.025 0.000 1.020 571 G CA 0.348 45.462 45.100 0.025 0.000 1.026 571 G HN 0.727 nan 8.290 nan 0.000 0.512 572 E N -0.026 120.207 120.200 0.055 0.000 2.227 572 E HA 0.471 4.821 4.350 -0.000 0.000 0.268 572 E C -0.558 176.074 176.600 0.054 0.000 0.907 572 E CA -1.066 55.365 56.400 0.051 0.000 0.786 572 E CB 1.476 31.284 29.700 0.181 0.000 1.191 572 E HN 0.228 nan 8.360 nan 0.000 0.411 573 N N 1.449 120.108 118.700 -0.068 0.000 2.284 573 N HA 0.389 5.129 4.740 -0.000 0.000 0.300 573 N C -1.394 173.979 175.510 -0.228 0.000 1.047 573 N CA -0.417 52.602 53.050 -0.053 0.000 0.821 573 N CB 1.304 39.752 38.487 -0.066 0.000 1.337 573 N HN 0.367 nan 8.380 nan 0.000 0.482 574 Y N 0.249 120.487 120.300 -0.103 0.000 2.499 574 Y HA 0.478 5.028 4.550 -0.000 0.000 0.347 574 Y C -0.295 175.516 175.900 -0.148 0.000 0.987 574 Y CA -1.035 56.979 58.100 -0.143 0.000 1.044 574 Y CB 1.833 40.145 38.460 -0.247 0.000 1.245 574 Y HN 0.329 nan 8.280 nan 0.000 0.461 575 L N 4.385 125.607 121.223 -0.003 0.000 2.280 575 L HA 0.558 4.898 4.340 -0.000 0.000 0.287 575 L C -1.525 175.321 176.870 -0.039 0.000 1.023 575 L CA -0.389 54.433 54.840 -0.030 0.000 0.819 575 L CB 0.372 42.412 42.059 -0.032 0.000 1.212 575 L HN 0.510 nan 8.230 nan 0.000 0.420 576 L N 5.222 126.398 121.223 -0.077 0.000 2.275 576 L HA 0.537 4.877 4.340 -0.000 0.000 0.288 576 L C -0.277 176.563 176.870 -0.050 0.000 1.046 576 L CA -0.405 54.380 54.840 -0.092 0.000 0.805 576 L CB 1.187 43.161 42.059 -0.141 0.000 1.193 576 L HN 0.620 nan 8.230 nan 0.000 0.426 577 E N 3.484 123.658 120.200 -0.043 0.000 2.241 577 E HA 0.395 4.745 4.350 -0.000 0.000 0.263 577 E C -1.409 175.166 176.600 -0.042 0.000 0.882 577 E CA -0.714 55.669 56.400 -0.029 0.000 0.769 577 E CB 2.989 32.682 29.700 -0.011 0.000 1.185 577 E HN 0.292 nan 8.360 nan 0.000 0.415 578 L N 3.599 124.805 121.223 -0.028 0.000 2.282 578 L HA 0.578 4.918 4.340 -0.000 0.000 0.288 578 L C -1.052 175.817 176.870 -0.002 0.000 1.033 578 L CA 0.113 54.936 54.840 -0.029 0.000 0.807 578 L CB 0.637 42.684 42.059 -0.019 0.000 1.209 578 L HN 0.476 nan 8.230 nan 0.000 0.423 579 K N 3.253 123.663 120.400 0.017 0.000 2.598 579 K HA 0.320 4.640 4.320 -0.000 0.000 0.271 579 K C -0.709 175.929 176.600 0.063 0.000 0.947 579 K CA -0.657 55.651 56.287 0.035 0.000 0.854 579 K CB 1.166 33.687 32.500 0.036 0.000 1.401 579 K HN 0.663 nan 8.250 nan 0.000 0.415 580 N N 1.641 120.370 118.700 0.049 0.000 2.721 580 N HA -0.192 4.548 4.740 -0.000 0.000 0.249 580 N C -1.089 174.463 175.510 0.071 0.000 1.072 580 N CA 1.558 54.639 53.050 0.052 0.000 0.710 580 N CB -1.278 37.240 38.487 0.051 0.000 0.993 580 N HN 0.755 nan 8.380 nan 0.000 0.547 581 S N -1.501 114.235 115.700 0.061 0.000 3.561 581 S HA -0.254 4.216 4.470 -0.000 0.000 0.318 581 S C -0.191 174.480 174.600 0.117 0.000 1.181 581 S CA 1.276 59.513 58.200 0.060 0.000 0.916 581 S CB -1.337 61.889 63.200 0.043 0.000 0.966 581 S HN 0.817 nan 8.310 nan 0.000 0.550 582 H N -0.573 118.501 119.070 0.007 0.000 2.759 582 H HA 0.560 5.116 4.556 -0.000 0.000 0.354 582 H C -0.998 174.342 175.328 0.020 0.000 1.074 582 H CA -0.907 55.149 56.048 0.013 0.000 1.226 582 H CB 1.110 30.880 29.762 0.014 0.000 1.648 582 H HN 0.214 nan 8.280 nan 0.000 0.529 583 L N 5.779 126.692 121.223 -0.516 0.000 2.260 583 L HA 0.283 4.623 4.340 -0.000 0.000 0.289 583 L C -0.621 175.869 176.870 -0.632 0.000 1.057 583 L CA -0.292 54.302 54.840 -0.411 0.000 0.811 583 L CB 0.450 42.412 42.059 -0.162 0.000 1.184 583 L HN 0.598 nan 8.230 nan 0.000 0.429 584 N N 3.662 122.149 118.700 -0.355 0.000 2.456 584 N HA 0.433 5.173 4.740 -0.000 0.000 0.296 584 N C -1.093 174.391 175.510 -0.044 0.000 1.102 584 N CA -0.516 52.443 53.050 -0.151 0.000 0.924 584 N CB 1.724 40.200 38.487 -0.020 0.000 1.186 584 N HN 0.739 nan 8.380 nan 0.000 0.492 585 N N -0.013 118.704 118.700 0.028 0.000 2.235 585 N HA 0.543 5.283 4.740 -0.000 0.000 0.293 585 N C -1.901 173.678 175.510 0.116 0.000 1.083 585 N CA -0.819 52.267 53.050 0.059 0.000 0.801 585 N CB 1.555 40.074 38.487 0.054 0.000 1.559 585 N HN 0.234 nan 8.380 nan 0.000 0.472 586 L N 0.952 122.239 121.223 0.106 0.000 2.406 586 L HA 0.489 4.829 4.340 -0.000 0.000 0.272 586 L C -0.267 176.547 176.870 -0.094 0.000 0.980 586 L CA -0.616 54.246 54.840 0.036 0.000 0.831 586 L CB 1.599 43.655 42.059 -0.004 0.000 1.253 586 L HN 0.777 nan 8.230 nan 0.000 0.406 587 R N 3.215 123.578 120.500 -0.228 0.000 2.543 587 R HA 0.474 4.814 4.340 -0.000 0.000 0.277 587 R C 0.926 176.987 176.300 -0.399 0.000 1.074 587 R CA 1.039 56.722 56.100 -0.695 0.000 1.076 587 R CB 0.512 30.507 30.300 -0.507 0.000 0.993 587 R HN 0.955 nan 8.270 nan 0.000 0.459 588 G N 1.877 110.418 108.800 -0.433 0.000 2.148 588 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.254 588 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.254 588 G C -0.408 174.399 174.900 -0.154 0.000 0.981 588 G CA 0.234 45.194 45.100 -0.234 0.000 0.670 588 G HN 0.490 nan 8.290 nan 0.000 0.528 589 V N 0.784 120.606 119.914 -0.154 0.000 2.680 589 V HA 0.766 4.886 4.120 -0.000 0.000 0.309 589 V C -0.193 175.855 176.094 -0.077 0.000 1.052 589 V CA -0.902 61.343 62.300 -0.092 0.000 0.908 589 V CB 1.905 33.686 31.823 -0.071 0.000 1.001 589 V HN 0.319 nan 8.190 nan 0.000 0.431 590 Q N 1.523 121.291 119.800 -0.054 0.000 2.423 590 Q HA 0.586 4.926 4.340 -0.000 0.000 0.278 590 Q C -0.849 175.133 176.000 -0.030 0.000 1.097 590 Q CA -0.451 55.328 55.803 -0.040 0.000 0.809 590 Q CB 2.512 31.229 28.738 -0.036 0.000 1.391 590 Q HN 0.730 nan 8.270 nan 0.000 0.428 591 S N 0.569 116.254 115.700 -0.025 0.000 2.478 591 S HA 0.260 4.730 4.470 -0.000 0.000 0.312 591 S C 0.157 174.747 174.600 -0.016 0.000 1.094 591 S CA -0.438 57.750 58.200 -0.019 0.000 1.081 591 S CB 0.760 63.950 63.200 -0.017 0.000 1.007 591 S HN 0.437 nan 8.310 nan 0.000 0.475 592 E N 2.606 122.797 120.200 -0.014 0.000 2.331 592 E HA -0.055 4.295 4.350 -0.000 0.000 0.199 592 E C 0.421 177.015 176.600 -0.010 0.000 1.008 592 E CA 1.074 57.467 56.400 -0.012 0.000 0.843 592 E CB 0.020 29.713 29.700 -0.011 0.000 0.761 592 E HN 0.591 nan 8.360 nan 0.000 0.507 593 D N -0.195 120.199 120.400 -0.010 0.000 2.395 593 D HA 0.187 4.827 4.640 -0.000 0.000 0.213 593 D C 0.050 176.344 176.300 -0.009 0.000 1.110 593 D CA 0.062 54.057 54.000 -0.008 0.000 0.835 593 D CB 0.210 41.006 40.800 -0.007 0.000 0.965 593 D HN 0.104 nan 8.370 nan 0.000 0.505 594 A N 0.402 123.215 122.820 -0.011 0.000 2.531 594 A HA 0.332 4.652 4.320 -0.000 0.000 0.236 594 A C 1.665 179.242 177.584 -0.010 0.000 1.062 594 A CA 0.553 52.582 52.037 -0.012 0.000 0.760 594 A CB 0.443 19.433 19.000 -0.017 0.000 0.995 594 A HN 0.214 nan 8.150 nan 0.000 0.501 595 G N -0.063 108.732 108.800 -0.009 0.000 2.572 595 G HA2 0.224 4.184 3.960 -0.000 0.000 0.216 595 G HA3 0.224 4.184 3.960 -0.000 0.000 0.216 595 G C 0.583 175.478 174.900 -0.009 0.000 1.133 595 G CA 1.059 46.155 45.100 -0.007 0.000 0.791 595 G HN 0.876 nan 8.290 nan 0.000 0.538 596 Q N -0.961 118.833 119.800 -0.011 0.000 2.391 596 Q HA 0.450 4.790 4.340 -0.000 0.000 0.279 596 Q C -1.851 174.140 176.000 -0.015 0.000 1.028 596 Q CA -0.534 55.262 55.803 -0.012 0.000 0.836 596 Q CB 1.796 30.528 28.738 -0.011 0.000 1.414 596 Q HN 0.033 nan 8.270 nan 0.000 0.397 597 T N 2.016 116.561 114.554 -0.015 0.000 2.809 597 T HA 0.515 4.865 4.350 -0.000 0.000 0.284 597 T C -1.049 173.641 174.700 -0.016 0.000 0.992 597 T CA -0.391 61.700 62.100 -0.016 0.000 0.957 597 T CB 1.245 70.105 68.868 -0.014 0.000 0.942 597 T HN 0.327 nan 8.240 nan 0.000 0.439 598 V N 2.770 122.674 119.914 -0.015 0.000 2.513 598 V HA 0.724 4.844 4.120 -0.000 0.000 0.299 598 V C 0.009 176.099 176.094 -0.007 0.000 1.035 598 V CA -0.662 61.630 62.300 -0.013 0.000 0.889 598 V CB 1.993 33.809 31.823 -0.012 0.000 0.988 598 V HN 0.864 nan 8.190 nan 0.000 0.440 599 S N 5.329 121.025 115.700 -0.006 0.000 2.502 599 S HA 0.839 5.309 4.470 -0.000 0.000 0.304 599 S C -1.049 173.552 174.600 0.002 0.000 1.097 599 S CA -0.490 57.711 58.200 0.002 0.000 1.045 599 S CB 0.864 64.064 63.200 0.000 0.000 1.019 599 S HN 0.716 nan 8.310 nan 0.000 0.481 600 I N 3.098 123.675 120.570 0.013 0.000 2.743 600 I HA 0.323 4.493 4.170 -0.000 0.000 0.292 600 I C -1.403 174.728 176.117 0.023 0.000 1.343 600 I CA -0.660 60.647 61.300 0.012 0.000 1.038 600 I CB 1.833 39.839 38.000 0.009 0.000 1.311 600 I HN 0.535 nan 8.210 nan 0.000 0.426 601 D N 5.070 125.481 120.400 0.018 0.000 2.423 601 D HA 0.038 4.678 4.640 -0.000 0.000 0.238 601 D C 0.931 177.248 176.300 0.028 0.000 1.142 601 D CA 0.044 54.058 54.000 0.024 0.000 0.884 601 D CB 1.121 41.931 40.800 0.017 0.000 1.199 601 D HN 0.439 nan 8.370 nan 0.000 0.438 602 R N 2.664 123.186 120.500 0.037 0.000 2.091 602 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 602 R C 1.751 178.062 176.300 0.019 0.000 1.136 602 R CA 1.974 58.096 56.100 0.037 0.000 0.959 602 R CB -0.777 29.550 30.300 0.045 0.000 0.856 602 R HN 0.487 nan 8.270 nan 0.000 0.437 603 A N 0.511 123.340 122.820 0.016 0.000 1.948 603 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 603 A C 1.706 179.292 177.584 0.003 0.000 1.177 603 A CA 2.076 54.119 52.037 0.009 0.000 0.636 603 A CB -0.594 18.412 19.000 0.010 0.000 0.815 603 A HN 0.432 nan 8.150 nan 0.000 0.449 604 D N -0.540 119.862 120.400 0.004 0.000 2.162 604 D HA -0.041 4.599 4.640 -0.000 0.000 0.203 604 D C 1.952 178.244 176.300 -0.014 0.000 0.967 604 D CA 0.484 54.482 54.000 -0.004 0.000 0.840 604 D CB -0.333 40.466 40.800 -0.002 0.000 0.972 604 D HN 0.392 nan 8.370 nan 0.000 0.482 605 L N 1.026 122.245 121.223 -0.007 0.000 2.042 605 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 605 L C 1.851 178.702 176.870 -0.033 0.000 1.076 605 L CA 1.243 56.073 54.840 -0.018 0.000 0.749 605 L CB -0.130 41.937 42.059 0.013 0.000 0.893 605 L HN -0.017 nan 8.230 nan 0.000 0.432 606 N N 0.216 118.903 118.700 -0.021 0.000 2.058 606 N HA -0.190 4.550 4.740 -0.000 0.000 0.191 606 N C 1.771 177.269 175.510 -0.020 0.000 1.037 606 N CA 1.252 54.288 53.050 -0.023 0.000 0.848 606 N CB -0.377 38.102 38.487 -0.013 0.000 1.021 606 N HN 0.277 nan 8.380 nan 0.000 0.422 607 R N 0.691 121.182 120.500 -0.015 0.000 2.119 607 R HA -0.127 4.213 4.340 -0.000 0.000 0.246 607 R C 2.283 178.569 176.300 -0.023 0.000 1.146 607 R CA 0.876 56.968 56.100 -0.013 0.000 0.962 607 R CB -0.666 29.628 30.300 -0.009 0.000 0.863 607 R HN 0.282 nan 8.270 nan 0.000 0.442 608 L N 0.578 121.777 121.223 -0.040 0.000 1.989 608 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 608 L C 2.284 179.117 176.870 -0.061 0.000 1.071 608 L CA 1.434 56.233 54.840 -0.069 0.000 0.749 608 L CB -0.253 41.741 42.059 -0.108 0.000 0.890 608 L HN 0.231 nan 8.230 nan 0.000 0.431 609 L N -0.925 120.271 121.223 -0.045 0.000 2.376 609 L HA -0.138 4.202 4.340 -0.000 0.000 0.219 609 L C 1.840 178.719 176.870 0.016 0.000 1.133 609 L CA 0.477 55.314 54.840 -0.006 0.000 0.816 609 L CB -0.096 41.957 42.059 -0.011 0.000 0.933 609 L HN 0.264 nan 8.230 nan 0.000 0.449 610 L N -0.289 120.935 121.223 0.002 0.000 2.667 610 L HA 0.118 4.458 4.340 -0.000 0.000 0.232 610 L C 0.425 177.301 176.870 0.010 0.000 1.138 610 L CA -0.207 54.638 54.840 0.008 0.000 0.921 610 L CB 0.107 42.167 42.059 0.002 0.000 1.180 610 L HN 0.126 nan 8.230 nan 0.000 0.487 611 K N 0.086 120.490 120.400 0.007 0.000 2.975 611 K HA -0.305 4.015 4.320 -0.000 0.000 0.257 611 K C 0.942 177.545 176.600 0.005 0.000 1.005 611 K CA 0.964 57.255 56.287 0.007 0.000 0.738 611 K CB -1.913 30.600 32.500 0.020 0.000 1.236 611 K HN 0.523 nan 8.250 nan 0.000 0.483 612 E N 0.191 120.391 120.200 0.001 0.000 2.208 612 E HA -0.012 4.338 4.350 -0.000 0.000 0.193 612 E C 0.260 176.861 176.600 0.003 0.000 0.988 612 E CA 0.690 57.092 56.400 0.003 0.000 0.828 612 E CB 0.468 30.170 29.700 0.003 0.000 0.763 612 E HN 0.189 nan 8.360 nan 0.000 0.478 613 V N 0.236 120.148 119.914 -0.004 0.000 3.049 613 V HA 0.263 4.383 4.120 -0.000 0.000 0.309 613 V C -0.961 175.124 176.094 -0.014 0.000 1.148 613 V CA -0.557 61.741 62.300 -0.003 0.000 0.990 613 V CB 2.213 34.034 31.823 -0.004 0.000 1.039 613 V HN 0.270 nan 8.190 nan 0.000 0.430 614 S N 3.990 119.687 115.700 -0.006 0.000 2.616 614 S HA 0.647 5.117 4.470 -0.000 0.000 0.277 614 S C 1.232 175.808 174.600 -0.039 0.000 1.234 614 S CA 0.141 58.331 58.200 -0.017 0.000 1.028 614 S CB 1.649 64.855 63.200 0.010 0.000 0.988 614 S HN 1.682 nan 8.310 nan 0.000 0.522 615 A N 2.430 125.205 122.820 -0.076 0.000 1.917 615 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 615 A C 2.069 179.598 177.584 -0.091 0.000 1.182 615 A CA 2.018 53.994 52.037 -0.101 0.000 0.633 615 A CB -1.425 17.494 19.000 -0.135 0.000 0.819 615 A HN 0.909 nan 8.150 nan 0.000 0.448 616 V N -0.022 119.853 119.914 -0.064 0.000 2.295 616 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 616 V C 2.611 178.712 176.094 0.010 0.000 1.049 616 V CA 2.258 64.510 62.300 -0.080 0.000 1.024 616 V CB -0.925 30.914 31.823 0.026 0.000 0.648 616 V HN 0.692 nan 8.190 nan 0.000 0.447 617 R N 0.023 120.590 120.500 0.110 0.000 2.083 617 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 617 R C 2.332 178.692 176.300 0.101 0.000 1.137 617 R CA 1.690 57.889 56.100 0.164 0.000 0.951 617 R CB -0.326 30.031 30.300 0.095 0.000 0.851 617 R HN 0.451 nan 8.270 nan 0.000 0.434 618 L N 0.362 121.597 121.223 0.021 0.000 1.989 618 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 618 L C 2.517 179.369 176.870 -0.029 0.000 1.071 618 L CA 1.427 56.264 54.840 -0.006 0.000 0.749 618 L CB -0.554 41.486 42.059 -0.032 0.000 0.890 618 L HN 0.130 nan 8.230 nan 0.000 0.431 619 V N -0.583 119.268 119.914 -0.106 0.000 2.282 619 V HA -0.318 3.802 4.120 -0.000 0.000 0.249 619 V C 2.281 178.300 176.094 -0.125 0.000 1.057 619 V CA 1.961 64.154 62.300 -0.178 0.000 1.032 619 V CB -0.820 30.802 31.823 -0.335 0.000 0.645 619 V HN 0.208 nan 8.190 nan 0.000 0.447 620 F N 0.613 120.557 119.950 -0.010 0.000 2.293 620 F HA -0.073 4.454 4.527 -0.000 0.000 0.300 620 F C 2.290 178.086 175.800 -0.006 0.000 1.086 620 F CA 1.199 59.195 58.000 -0.007 0.000 1.375 620 F CB -0.547 38.449 39.000 -0.006 0.000 1.045 620 F HN 0.265 nan 8.300 nan 0.000 0.516 621 E N -0.584 119.714 120.200 0.162 0.000 2.476 621 E HA 0.164 4.514 4.350 -0.000 0.000 0.191 621 E C 1.605 178.238 176.600 0.055 0.000 1.064 621 E CA 0.390 56.844 56.400 0.091 0.000 0.866 621 E CB -0.279 29.460 29.700 0.065 0.000 0.952 621 E HN 0.347 nan 8.360 nan 0.000 0.492 622 G N 2.110 110.938 108.800 0.046 0.000 2.249 622 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.273 622 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.273 622 G C 0.703 175.609 174.900 0.009 0.000 1.036 622 G CA 0.821 45.933 45.100 0.020 0.000 0.824 622 G HN 0.288 nan 8.290 nan 0.000 0.504 623 K N -1.502 118.901 120.400 0.005 0.000 2.354 623 K HA 0.342 4.662 4.320 -0.000 0.000 0.194 623 K C 0.375 176.968 176.600 -0.011 0.000 1.038 623 K CA -0.008 56.279 56.287 0.001 0.000 1.052 623 K CB 0.610 33.113 32.500 0.006 0.000 0.861 623 K HN 0.305 nan 8.250 nan 0.000 0.535 624 L N 1.669 122.877 121.223 -0.026 0.000 2.372 624 L HA 0.332 4.672 4.340 -0.000 0.000 0.273 624 L C -1.483 175.360 176.870 -0.045 0.000 0.989 624 L CA -0.442 54.376 54.840 -0.038 0.000 0.841 624 L CB 1.064 43.089 42.059 -0.057 0.000 1.225 624 L HN -0.202 nan 8.230 nan 0.000 0.414 625 K N 2.891 123.272 120.400 -0.031 0.000 2.203 625 K HA 0.717 5.037 4.320 -0.000 0.000 0.251 625 K C -0.944 175.638 176.600 -0.030 0.000 0.944 625 K CA -0.643 55.626 56.287 -0.030 0.000 0.829 625 K CB 2.255 34.745 32.500 -0.017 0.000 1.125 625 K HN 0.563 nan 8.250 nan 0.000 0.430 626 S N 0.487 116.168 115.700 -0.032 0.000 2.546 626 S HA 0.577 5.047 4.470 -0.000 0.000 0.274 626 S C -1.104 173.483 174.600 -0.022 0.000 1.121 626 S CA -0.514 57.669 58.200 -0.027 0.000 0.887 626 S CB 1.178 64.357 63.200 -0.034 0.000 1.094 626 S HN 0.666 nan 8.310 nan 0.000 0.474 627 S N 2.345 118.035 115.700 -0.018 0.000 2.709 627 S HA 0.996 5.466 4.470 -0.000 0.000 0.302 627 S C 0.649 175.241 174.600 -0.014 0.000 1.127 627 S CA -0.111 58.081 58.200 -0.015 0.000 0.905 627 S CB 0.695 63.888 63.200 -0.012 0.000 1.151 627 S HN 2.230 nan 8.310 nan 0.000 0.510 628 G N 1.590 110.383 108.800 -0.011 0.000 2.553 628 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.242 628 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.242 628 G C -0.400 174.494 174.900 -0.010 0.000 1.277 628 G CA -0.058 45.036 45.100 -0.010 0.000 0.910 628 G HN 1.158 nan 8.290 nan 0.000 0.576 629 N N 2.503 121.198 118.700 -0.009 0.000 2.427 629 N HA 0.269 5.009 4.740 -0.000 0.000 0.269 629 N C -0.377 175.127 175.510 -0.010 0.000 1.235 629 N CA -1.241 51.804 53.050 -0.008 0.000 0.934 629 N CB 1.139 39.623 38.487 -0.005 0.000 1.121 629 N HN 0.265 nan 8.380 nan 0.000 0.480 630 P HA -0.073 nan 4.420 nan 0.000 0.230 630 P C 0.963 178.253 177.300 -0.016 0.000 1.158 630 P CA 0.845 63.933 63.100 -0.020 0.000 0.769 630 P CB 0.394 32.079 31.700 -0.026 0.000 0.807 631 L N -1.512 119.706 121.223 -0.008 0.000 2.567 631 L HA 0.106 4.446 4.340 -0.000 0.000 0.225 631 L C 2.418 179.293 176.870 0.008 0.000 1.119 631 L CA 0.159 54.998 54.840 -0.001 0.000 0.871 631 L CB -0.504 41.556 42.059 0.002 0.000 1.036 631 L HN -0.091 nan 8.230 nan 0.000 0.459 632 L N -0.424 120.803 121.223 0.007 0.000 2.109 632 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 632 L C 2.475 179.362 176.870 0.028 0.000 1.086 632 L CA 0.767 55.615 54.840 0.014 0.000 0.760 632 L CB -0.299 41.764 42.059 0.007 0.000 0.910 632 L HN 0.252 nan 8.230 nan 0.000 0.437 633 L N 0.187 121.425 121.223 0.025 0.000 2.093 633 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 633 L C 2.307 179.223 176.870 0.076 0.000 1.085 633 L CA 1.972 56.838 54.840 0.044 0.000 0.755 633 L CB -0.818 41.251 42.059 0.017 0.000 0.904 633 L HN 0.116 nan 8.230 nan 0.000 0.435 634 G N -1.544 107.289 108.800 0.055 0.000 2.402 634 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 634 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 634 G C 1.442 176.412 174.900 0.118 0.000 1.162 634 G CA 0.674 45.830 45.100 0.093 0.000 0.777 634 G HN 0.509 nan 8.290 nan 0.000 0.539 635 Q N -0.399 119.442 119.800 0.068 0.000 2.030 635 Q HA -0.017 4.323 4.340 -0.000 0.000 0.204 635 Q C 2.532 178.563 176.000 0.052 0.000 0.986 635 Q CA 1.016 56.848 55.803 0.048 0.000 0.843 635 Q CB -0.342 28.412 28.738 0.027 0.000 0.904 635 Q HN 0.397 nan 8.270 nan 0.000 0.420 636 L N -0.060 121.203 121.223 0.067 0.000 1.990 636 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 636 L C 2.339 179.262 176.870 0.088 0.000 1.072 636 L CA 1.599 56.480 54.840 0.068 0.000 0.755 636 L CB -0.355 41.756 42.059 0.086 0.000 0.889 636 L HN 0.281 nan 8.230 nan 0.000 0.432 637 F N 0.793 120.735 119.950 -0.013 0.000 2.161 637 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 637 F C 2.174 177.950 175.800 -0.040 0.000 1.089 637 F CA 1.529 59.511 58.000 -0.028 0.000 1.282 637 F CB -0.658 38.329 39.000 -0.022 0.000 1.010 637 F HN 0.079 nan 8.300 nan 0.000 0.485 638 G N -0.264 108.526 108.800 -0.016 0.000 2.509 638 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 638 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 638 G C 1.473 176.285 174.900 -0.147 0.000 1.124 638 G CA 0.723 45.765 45.100 -0.096 0.000 0.776 638 G HN 0.422 nan 8.290 nan 0.000 0.547 639 M N -0.242 119.278 119.600 -0.132 0.000 2.495 639 M HA 0.289 4.769 4.480 -0.000 0.000 0.237 639 M C -0.292 175.901 176.300 -0.179 0.000 1.131 639 M CA -0.134 55.093 55.300 -0.122 0.000 1.032 639 M CB 0.442 33.000 32.600 -0.071 0.000 1.513 639 M HN -0.049 nan 8.290 nan 0.000 0.488 640 L N 0.715 121.767 121.223 -0.284 0.000 2.290 640 L HA 0.436 4.776 4.340 -0.000 0.000 0.284 640 L C 0.765 177.419 176.870 -0.361 0.000 1.078 640 L CA -0.087 54.551 54.840 -0.336 0.000 0.815 640 L CB 0.692 42.488 42.059 -0.438 0.000 1.162 640 L HN 0.018 nan 8.230 nan 0.000 0.435 641 G N 2.071 110.662 108.800 -0.347 0.000 2.557 641 G HA2 0.556 4.516 3.960 -0.000 0.000 0.302 641 G HA3 0.556 4.516 3.960 -0.000 0.000 0.302 641 G C -0.933 173.665 174.900 -0.503 0.000 1.311 641 G CA -0.340 44.547 45.100 -0.355 0.000 1.030 641 G HN 0.615 nan 8.290 nan 0.000 0.509 642 D N -1.900 118.229 120.400 -0.452 0.000 2.450 642 D HA 0.572 5.212 4.640 -0.000 0.000 0.238 642 D C -1.348 174.664 176.300 -0.480 0.000 1.020 642 D CA -0.808 52.906 54.000 -0.477 0.000 1.010 642 D CB 1.533 42.215 40.800 -0.197 0.000 1.342 642 D HN 0.245 nan 8.370 nan 0.000 0.530 643 F N -0.107 119.868 119.950 0.043 0.000 2.507 643 F HA 0.263 4.790 4.527 -0.000 0.000 0.325 643 F C 0.099 175.964 175.800 0.108 0.000 1.116 643 F CA -1.165 56.877 58.000 0.071 0.000 0.930 643 F CB 1.884 40.936 39.000 0.088 0.000 1.146 643 F HN -0.054 nan 8.300 nan 0.000 0.447 644 D N 2.517 123.104 120.400 0.312 0.000 2.350 644 D HA 0.040 4.680 4.640 -0.000 0.000 0.249 644 D C 0.597 177.051 176.300 0.257 0.000 1.119 644 D CA -0.047 54.110 54.000 0.262 0.000 0.886 644 D CB 1.052 41.991 40.800 0.232 0.000 1.195 644 D HN 0.432 nan 8.370 nan 0.000 0.437 645 F N 1.109 121.073 119.950 0.023 0.000 2.113 645 F HA -0.028 4.499 4.527 -0.000 0.000 0.297 645 F C 0.940 176.499 175.800 -0.402 0.000 1.103 645 F CA 0.781 58.634 58.000 -0.245 0.000 1.248 645 F CB 0.097 38.800 39.000 -0.494 0.000 0.999 645 F HN 0.393 nan 8.300 nan 0.000 0.475 646 W N 2.409 123.736 121.300 0.045 0.000 2.136 646 W HA 0.160 4.820 4.660 -0.000 0.000 0.436 646 W C -0.274 176.163 176.519 -0.136 0.000 0.624 646 W CA -1.058 56.225 57.345 -0.103 0.000 2.276 646 W CB -1.170 28.347 29.460 0.096 0.000 1.277 646 W HN -0.094 nan 8.180 nan 0.000 0.595 647 F N -0.619 119.338 119.950 0.011 0.000 2.545 647 F HA 0.165 4.692 4.527 -0.000 0.000 0.348 647 F C 0.780 176.589 175.800 0.016 0.000 1.163 647 F CA -1.208 56.792 58.000 -0.000 0.000 1.331 647 F CB 0.315 39.270 39.000 -0.076 0.000 1.138 647 F HN -0.067 nan 8.300 nan 0.000 0.602 648 D N 2.493 123.064 120.400 0.285 0.000 2.414 648 D HA 0.142 4.782 4.640 -0.000 0.000 0.242 648 D C 0.911 177.342 176.300 0.219 0.000 1.129 648 D CA 0.414 54.519 54.000 0.175 0.000 0.885 648 D CB 1.657 42.504 40.800 0.078 0.000 1.198 648 D HN 0.635 nan 8.370 nan 0.000 0.437 649 I N 0.614 121.265 120.570 0.135 0.000 3.873 649 I HA -0.116 4.054 4.170 -0.000 0.000 0.284 649 I C 1.923 178.157 176.117 0.194 0.000 1.186 649 I CA 0.129 61.498 61.300 0.114 0.000 1.362 649 I CB 0.351 38.266 38.000 -0.142 0.000 1.432 649 I HN 0.229 nan 8.210 nan 0.000 0.454 650 V N -1.181 118.856 119.914 0.203 0.000 3.649 650 V HA 0.217 4.337 4.120 -0.000 0.000 0.275 650 V C 0.656 176.833 176.094 0.138 0.000 1.281 650 V CA 0.419 62.875 62.300 0.260 0.000 1.143 650 V CB -1.439 30.532 31.823 0.248 0.000 0.892 650 V HN 0.470 nan 8.190 nan 0.000 0.441 651 T N -2.959 111.500 114.554 -0.157 0.000 2.841 651 T HA 0.667 5.017 4.350 -0.000 0.000 0.296 651 T C -3.333 170.874 174.700 -0.821 0.000 1.166 651 T CA -1.964 59.733 62.100 -0.673 0.000 1.007 651 T CB 2.104 70.775 68.868 -0.328 0.000 1.253 651 T HN 0.066 nan 8.240 nan 0.000 0.511 652 P HA 0.383 nan 4.420 nan 0.000 0.272 652 P C -0.185 176.995 177.300 -0.199 0.000 1.230 652 P CA -0.338 62.485 63.100 -0.461 0.000 0.788 652 P CB -0.090 31.410 31.700 -0.333 0.000 0.949 653 A N 1.754 124.525 122.820 -0.082 0.000 2.573 653 A HA 0.310 4.630 4.320 -0.000 0.000 0.250 653 A C 0.875 178.438 177.584 -0.035 0.000 1.049 653 A CA 0.315 52.335 52.037 -0.028 0.000 0.767 653 A CB -1.017 17.979 19.000 -0.007 0.000 0.965 653 A HN 0.648 nan 8.150 nan 0.000 0.514 654 A N 2.400 125.210 122.820 -0.017 0.000 2.425 654 A HA 0.687 5.007 4.320 -0.000 0.000 0.242 654 A C 0.640 178.222 177.584 -0.003 0.000 1.077 654 A CA 0.776 52.803 52.037 -0.016 0.000 0.781 654 A CB 0.160 19.158 19.000 -0.003 0.000 1.020 654 A HN 2.304 nan 8.150 nan 0.000 0.494 655 K N 0.000 120.396 120.400 -0.006 0.000 2.780 655 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 655 K CA 0.000 nan 56.287 nan 0.000 0.838 655 K CB 0.000 nan 32.500 nan 0.000 1.064 655 K HN 0.000 nan 8.250 nan 0.000 0.543