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 3ce0_1_A DATA FIRST_RESID 178 DATA SEQUENCE KRVQPCSLDP ATQKLITNIF SKEMFKNTMA LMDLDVKKMP LGKLSKQQIA DATA SEQUENCE RGFEALEALE EALKXXXDGG QSLEELSSHF YTVIPHNFGH SQPPPINSPE DATA SEQUENCE LLQAKKDMLL VLADIELAQA LQAVSEQEKT VEEVPHPLDR DYQLLKCQLQ DATA SEQUENCE LLDSGAPEYK VIQTYLEQTG SNHRCPTLQH IWKVNQEGEE DRFQAHSKLG DATA SEQUENCE NRKLLWHGTN MAVVAAILTS GLRIMPHSGG RVGKGIYFAS ENSKSAGYVI DATA SEQUENCE GMKCGAHHVG YMFLGEVALG REHHINTDNP SLKSPPPGFD SVIARGHTEP DATA SEQUENCE DPTQDTELEL DGQQVVVPQG QPVPCPEFSS STFSQSEYLI YQESQCRLRY DATA SEQUENCE LLEVH 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 178 K HA 0.000 nan 4.320 nan 0.000 0.191 178 K C 0.000 176.598 176.600 -0.004 0.000 0.988 178 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 178 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 179 R N 2.175 122.675 120.500 -0.000 0.000 2.390 179 R HA 0.304 4.607 4.340 -0.061 0.000 0.291 179 R C -0.767 175.535 176.300 0.004 0.000 1.070 179 R CA -0.360 55.742 56.100 0.003 0.000 1.014 179 R CB 0.822 31.126 30.300 0.007 0.000 1.007 179 R HN 0.310 nan 8.270 nan 0.000 0.466 180 V N 5.947 125.864 119.914 0.005 0.000 2.348 180 V HA 0.115 4.198 4.120 -0.061 0.000 0.270 180 V C 0.169 176.284 176.094 0.035 0.000 1.037 180 V CA -0.487 61.818 62.300 0.008 0.000 0.872 180 V CB 1.055 32.872 31.823 -0.011 0.000 1.002 180 V HN 0.832 nan 8.190 nan 0.000 0.464 181 Q N 5.707 125.532 119.800 0.043 0.000 2.392 181 Q HA 0.208 4.511 4.340 -0.061 0.000 0.262 181 Q C -2.259 173.795 176.000 0.089 0.000 1.003 181 Q CA -1.465 54.370 55.803 0.053 0.000 0.888 181 Q CB 0.288 29.053 28.738 0.045 0.000 1.260 181 Q HN 0.471 nan 8.270 nan 0.000 0.435 182 P HA -0.067 nan 4.420 nan 0.000 0.269 182 P C -0.627 176.686 177.300 0.021 0.000 1.209 182 P CA -0.267 62.865 63.100 0.054 0.000 0.776 182 P CB 0.467 32.178 31.700 0.018 0.000 0.876 183 C N 2.589 121.832 119.300 -0.097 0.000 2.637 183 C HA 0.181 4.605 4.460 -0.061 0.000 0.418 183 C C 1.756 176.667 174.990 -0.132 0.000 1.319 183 C CA 0.611 59.498 59.018 -0.219 0.000 1.949 183 C CB -0.979 26.346 27.740 -0.692 0.000 2.639 183 C HN 0.692 nan 8.230 nan 0.000 0.594 184 S N 4.784 120.428 115.700 -0.093 0.000 2.572 184 S HA 0.297 4.730 4.470 -0.061 0.000 0.228 184 S C -0.037 174.501 174.600 -0.103 0.000 0.963 184 S CA -0.267 57.891 58.200 -0.072 0.000 0.939 184 S CB -0.369 62.811 63.200 -0.033 0.000 0.804 184 S HN 0.699 nan 8.310 nan 0.000 0.480 185 L N 2.978 124.116 121.223 -0.143 0.000 2.343 185 L HA 0.462 4.765 4.340 -0.061 0.000 0.275 185 L C 0.190 176.995 176.870 -0.107 0.000 1.056 185 L CA -0.983 53.762 54.840 -0.159 0.000 0.804 185 L CB 0.752 42.693 42.059 -0.197 0.000 1.203 185 L HN 0.335 nan 8.230 nan 0.000 0.440 186 D N 1.312 121.668 120.400 -0.073 0.000 2.354 186 D HA 0.137 4.741 4.640 -0.061 0.000 0.247 186 D C -2.194 174.087 176.300 -0.031 0.000 1.138 186 D CA -1.637 52.337 54.000 -0.045 0.000 0.958 186 D CB 0.998 41.779 40.800 -0.031 0.000 1.144 186 D HN 0.163 nan 8.370 nan 0.000 0.458 187 P HA -0.215 nan 4.420 nan 0.000 0.216 187 P C 1.367 178.672 177.300 0.007 0.000 1.157 187 P CA 2.635 65.729 63.100 -0.009 0.000 0.880 187 P CB -0.070 31.628 31.700 -0.004 0.000 0.791 188 A N -1.161 121.628 122.820 -0.051 0.000 1.877 188 A HA -0.188 4.095 4.320 -0.061 0.000 0.216 188 A C 2.256 180.010 177.584 0.284 0.000 1.186 188 A CA 2.586 54.568 52.037 -0.090 0.000 0.620 188 A CB -1.854 16.762 19.000 -0.640 0.000 0.822 188 A HN 0.191 nan 8.150 nan 0.000 0.443 189 T N -0.112 114.609 114.554 0.279 0.000 2.904 189 T HA -0.112 4.201 4.350 -0.061 0.000 0.267 189 T C 2.019 176.730 174.700 0.018 0.000 1.059 189 T CA 1.426 63.642 62.100 0.195 0.000 1.137 189 T CB -0.190 68.748 68.868 0.117 0.000 0.879 189 T HN 0.570 nan 8.240 nan 0.000 0.467 190 Q N 0.824 120.636 119.800 0.020 0.000 2.050 190 Q HA -0.143 4.161 4.340 -0.061 0.000 0.202 190 Q C 2.654 178.688 176.000 0.057 0.000 0.980 190 Q CA 1.384 57.195 55.803 0.013 0.000 0.840 190 Q CB -0.213 28.519 28.738 -0.010 0.000 0.898 190 Q HN 0.367 nan 8.270 nan 0.000 0.424 191 K N 0.970 121.423 120.400 0.087 0.000 2.032 191 K HA -0.173 4.110 4.320 -0.061 0.000 0.209 191 K C 2.080 178.755 176.600 0.124 0.000 1.048 191 K CA 1.182 57.542 56.287 0.122 0.000 0.927 191 K CB -0.863 31.736 32.500 0.166 0.000 0.712 191 K HN 0.311 nan 8.250 nan 0.000 0.441 192 L N 0.897 122.177 121.223 0.094 0.000 1.971 192 L HA -0.074 4.229 4.340 -0.061 0.000 0.215 192 L C 2.326 179.130 176.870 -0.110 0.000 1.072 192 L CA 2.105 56.895 54.840 -0.083 0.000 0.758 192 L CB -0.630 41.115 42.059 -0.525 0.000 0.889 192 L HN 0.306 nan 8.230 nan 0.000 0.433 193 I N -0.324 120.218 120.570 -0.046 0.000 2.423 193 I HA -0.249 3.884 4.170 -0.061 0.000 0.254 193 I C 2.302 178.534 176.117 0.192 0.000 1.151 193 I CA 1.578 62.943 61.300 0.109 0.000 1.421 193 I CB -1.884 36.216 38.000 0.167 0.000 1.079 193 I HN 0.389 nan 8.210 nan 0.000 0.431 194 T N 1.178 115.803 114.554 0.119 0.000 2.770 194 T HA -0.084 4.230 4.350 -0.061 0.000 0.263 194 T C 1.752 176.502 174.700 0.083 0.000 1.039 194 T CA 1.150 63.323 62.100 0.121 0.000 1.142 194 T CB -0.158 68.768 68.868 0.097 0.000 0.868 194 T HN 0.286 nan 8.240 nan 0.000 0.435 195 N N 1.940 120.671 118.700 0.051 0.000 2.084 195 N HA -0.053 4.650 4.740 -0.061 0.000 0.190 195 N C 1.997 177.441 175.510 -0.111 0.000 1.030 195 N CA 1.267 54.323 53.050 0.011 0.000 0.849 195 N CB -0.529 38.037 38.487 0.132 0.000 1.012 195 N HN 0.600 nan 8.380 nan 0.000 0.423 196 I N -3.510 116.957 120.570 -0.171 0.000 3.001 196 I HA 0.029 4.162 4.170 -0.061 0.000 0.268 196 I C 0.647 176.487 176.117 -0.462 0.000 1.267 196 I CA 1.130 62.215 61.300 -0.359 0.000 1.472 196 I CB -0.253 37.468 38.000 -0.465 0.000 1.089 196 I HN -0.179 nan 8.210 nan 0.000 0.468 197 F N 0.970 120.890 119.950 -0.050 0.000 2.682 197 F HA 0.315 4.806 4.527 -0.061 0.000 0.308 197 F C 1.464 177.309 175.800 0.075 0.000 1.093 197 F CA -0.468 57.603 58.000 0.119 0.000 1.244 197 F CB 0.141 39.214 39.000 0.121 0.000 1.052 197 F HN -0.074 nan 8.300 nan 0.000 0.573 198 S N 1.192 116.879 115.700 -0.021 0.000 2.515 198 S HA -0.002 4.431 4.470 -0.061 0.000 0.285 198 S C 1.451 176.034 174.600 -0.030 0.000 1.265 198 S CA -0.181 58.000 58.200 -0.032 0.000 1.079 198 S CB 0.440 63.582 63.200 -0.096 0.000 0.877 198 S HN 0.352 nan 8.310 nan 0.000 0.493 199 K N 3.443 123.946 120.400 0.173 0.000 2.211 199 K HA -0.123 4.161 4.320 -0.061 0.000 0.203 199 K C 1.785 178.476 176.600 0.152 0.000 1.050 199 K CA 1.340 57.794 56.287 0.278 0.000 0.945 199 K CB -0.035 32.578 32.500 0.189 0.000 0.732 199 K HN 0.627 nan 8.250 nan 0.000 0.451 200 E N 1.142 121.373 120.200 0.052 0.000 2.107 200 E HA -0.119 4.194 4.350 -0.061 0.000 0.191 200 E C 1.869 178.455 176.600 -0.024 0.000 0.982 200 E CA 0.816 57.226 56.400 0.017 0.000 0.809 200 E CB 0.015 29.715 29.700 0.000 0.000 0.756 200 E HN 0.099 nan 8.360 nan 0.000 0.459 201 M N -0.409 119.124 119.600 -0.112 0.000 2.175 201 M HA -0.122 4.322 4.480 -0.061 0.000 0.264 201 M C 1.155 177.351 176.300 -0.173 0.000 1.063 201 M CA 1.430 56.611 55.300 -0.198 0.000 1.119 201 M CB -0.392 32.007 32.600 -0.335 0.000 1.377 201 M HN 0.134 nan 8.290 nan 0.000 0.415 202 F N 1.049 121.005 119.950 0.009 0.000 2.128 202 F HA -0.099 4.391 4.527 -0.061 0.000 0.295 202 F C 2.393 178.189 175.800 -0.007 0.000 1.100 202 F CA 1.344 59.346 58.000 0.004 0.000 1.260 202 F CB -0.882 38.125 39.000 0.011 0.000 1.009 202 F HN 0.151 nan 8.300 nan 0.000 0.476 203 K N 0.040 120.545 120.400 0.175 0.000 2.057 203 K HA -0.174 4.109 4.320 -0.061 0.000 0.207 203 K C 1.763 178.386 176.600 0.038 0.000 1.049 203 K CA 1.473 57.809 56.287 0.081 0.000 0.931 203 K CB -0.441 32.091 32.500 0.054 0.000 0.714 203 K HN 0.189 nan 8.250 nan 0.000 0.440 204 N N 0.514 119.228 118.700 0.024 0.000 2.104 204 N HA -0.122 4.582 4.740 -0.061 0.000 0.190 204 N C 1.776 177.291 175.510 0.008 0.000 1.024 204 N CA 1.570 54.620 53.050 -0.000 0.000 0.853 204 N CB -0.727 37.747 38.487 -0.022 0.000 1.008 204 N HN 0.133 nan 8.380 nan 0.000 0.424 205 T N 1.174 115.747 114.554 0.031 0.000 2.746 205 T HA -0.035 4.279 4.350 -0.061 0.000 0.267 205 T C 1.994 176.713 174.700 0.032 0.000 1.039 205 T CA 1.014 63.141 62.100 0.045 0.000 1.142 205 T CB -0.142 68.780 68.868 0.091 0.000 0.866 205 T HN 0.219 nan 8.240 nan 0.000 0.444 206 M N 0.741 120.359 119.600 0.030 0.000 2.229 206 M HA 0.004 4.448 4.480 -0.061 0.000 0.264 206 M C 2.707 178.974 176.300 -0.055 0.000 1.063 206 M CA 1.253 56.543 55.300 -0.017 0.000 1.114 206 M CB -0.333 32.255 32.600 -0.020 0.000 1.387 206 M HN 0.292 nan 8.290 nan 0.000 0.420 207 A N 0.251 123.047 122.820 -0.040 0.000 1.929 207 A HA -0.033 4.250 4.320 -0.061 0.000 0.216 207 A C 2.013 179.566 177.584 -0.052 0.000 1.176 207 A CA 1.008 53.010 52.037 -0.058 0.000 0.628 207 A CB -0.731 18.244 19.000 -0.041 0.000 0.816 207 A HN 0.446 nan 8.150 nan 0.000 0.444 208 L N -1.120 120.089 121.223 -0.023 0.000 2.362 208 L HA -0.017 4.286 4.340 -0.061 0.000 0.219 208 L C 1.869 178.738 176.870 -0.001 0.000 1.134 208 L CA 0.725 55.561 54.840 -0.007 0.000 0.807 208 L CB -0.284 41.781 42.059 0.010 0.000 0.927 208 L HN 0.412 nan 8.230 nan 0.000 0.447 209 M N -0.819 118.771 119.600 -0.016 0.000 2.475 209 M HA 0.092 4.535 4.480 -0.061 0.000 0.261 209 M C -0.338 175.932 176.300 -0.049 0.000 1.177 209 M CA 0.055 55.356 55.300 0.002 0.000 0.979 209 M CB 0.440 33.046 32.600 0.010 0.000 1.482 209 M HN 0.067 nan 8.290 nan 0.000 0.484 210 D N 0.825 121.152 120.400 -0.122 0.000 2.945 210 D HA -0.153 4.450 4.640 -0.061 0.000 0.225 210 D C -0.526 175.536 176.300 -0.396 0.000 1.158 210 D CA 0.743 54.572 54.000 -0.284 0.000 0.805 210 D CB -1.727 38.875 40.800 -0.331 0.000 1.098 210 D HN 0.390 nan 8.370 nan 0.000 0.426 211 L N 0.824 121.850 121.223 -0.329 0.000 2.307 211 L HA 0.240 4.544 4.340 -0.061 0.000 0.282 211 L C 0.979 177.701 176.870 -0.246 0.000 1.051 211 L CA -0.599 54.008 54.840 -0.389 0.000 0.804 211 L CB 1.222 43.091 42.059 -0.315 0.000 1.197 211 L HN -0.172 nan 8.230 nan 0.000 0.431 212 D N 2.438 122.708 120.400 -0.217 0.000 2.346 212 D HA 0.021 4.624 4.640 -0.061 0.000 0.267 212 D C 0.927 177.164 176.300 -0.106 0.000 1.320 212 D CA 0.018 53.937 54.000 -0.134 0.000 0.951 212 D CB 1.340 42.082 40.800 -0.096 0.000 1.079 212 D HN 0.244 nan 8.370 nan 0.000 0.509 213 V N 4.587 124.449 119.914 -0.087 0.000 2.809 213 V HA -0.163 3.920 4.120 -0.061 0.000 0.256 213 V C 2.312 178.378 176.094 -0.047 0.000 1.080 213 V CA 1.223 63.487 62.300 -0.061 0.000 1.102 213 V CB -0.290 31.507 31.823 -0.043 0.000 0.705 213 V HN 0.463 nan 8.190 nan 0.000 0.475 214 K N 0.194 120.566 120.400 -0.046 0.000 2.137 214 K HA 0.005 4.289 4.320 -0.061 0.000 0.202 214 K C 2.111 178.688 176.600 -0.037 0.000 1.052 214 K CA 0.732 56.998 56.287 -0.035 0.000 0.961 214 K CB -0.055 32.427 32.500 -0.030 0.000 0.741 214 K HN 0.373 nan 8.250 nan 0.000 0.452 215 K N -0.059 120.314 120.400 -0.045 0.000 2.365 215 K HA 0.116 4.399 4.320 -0.061 0.000 0.197 215 K C 0.727 177.295 176.600 -0.054 0.000 1.042 215 K CA 0.576 56.835 56.287 -0.045 0.000 0.987 215 K CB 0.340 32.812 32.500 -0.046 0.000 0.779 215 K HN 0.059 nan 8.250 nan 0.000 0.484 216 M N 1.551 121.114 119.600 -0.062 0.000 2.389 216 M HA 0.248 4.692 4.480 -0.061 0.000 0.206 216 M C -2.658 173.609 176.300 -0.054 0.000 0.976 216 M CA -1.911 53.349 55.300 -0.067 0.000 0.648 216 M CB 1.548 34.093 32.600 -0.092 0.000 1.474 216 M HN -0.277 nan 8.290 nan 0.000 0.398 217 P HA 0.068 nan 4.420 nan 0.000 0.270 217 P C 0.860 178.140 177.300 -0.033 0.000 1.223 217 P CA -0.133 62.949 63.100 -0.030 0.000 0.785 217 P CB 0.889 32.575 31.700 -0.023 0.000 0.923 218 L N 1.172 122.382 121.223 -0.022 0.000 2.079 218 L HA -0.152 4.152 4.340 -0.061 0.000 0.210 218 L C 2.322 179.165 176.870 -0.045 0.000 1.081 218 L CA 2.103 56.922 54.840 -0.036 0.000 0.752 218 L CB -1.065 40.989 42.059 -0.008 0.000 0.896 218 L HN 0.590 nan 8.230 nan 0.000 0.433 219 G N -1.052 107.731 108.800 -0.028 0.000 2.848 219 G HA2 -0.191 3.733 3.960 -0.061 0.000 0.208 219 G HA3 -0.191 3.733 3.960 -0.061 0.000 0.208 219 G C 1.577 176.459 174.900 -0.030 0.000 1.152 219 G CA 0.184 45.268 45.100 -0.027 0.000 0.789 219 G HN 0.281 nan 8.290 nan 0.000 0.531 220 K N -0.582 119.797 120.400 -0.034 0.000 2.354 220 K HA 0.219 4.503 4.320 -0.061 0.000 0.194 220 K C 0.264 176.840 176.600 -0.040 0.000 1.045 220 K CA -0.540 55.727 56.287 -0.034 0.000 1.026 220 K CB 0.000 32.480 32.500 -0.035 0.000 0.866 220 K HN 0.071 nan 8.250 nan 0.000 0.530 221 L N 2.335 123.528 121.223 -0.049 0.000 2.578 221 L HA -0.049 4.254 4.340 -0.061 0.000 0.279 221 L C -0.027 176.819 176.870 -0.039 0.000 1.227 221 L CA 0.857 55.665 54.840 -0.053 0.000 0.900 221 L CB 0.622 42.639 42.059 -0.071 0.000 1.144 221 L HN 0.206 nan 8.230 nan 0.000 0.496 222 S N 1.747 117.430 115.700 -0.029 0.000 2.541 222 S HA 0.498 4.931 4.470 -0.061 0.000 0.280 222 S C 0.500 175.101 174.600 0.001 0.000 1.112 222 S CA -1.078 57.114 58.200 -0.014 0.000 0.925 222 S CB 1.619 64.812 63.200 -0.012 0.000 1.067 222 S HN 0.534 nan 8.310 nan 0.000 0.479 223 K N 1.123 121.531 120.400 0.013 0.000 2.152 223 K HA -0.192 4.091 4.320 -0.061 0.000 0.206 223 K C 2.059 178.687 176.600 0.048 0.000 1.048 223 K CA 1.557 57.866 56.287 0.037 0.000 0.933 223 K CB -0.172 32.349 32.500 0.035 0.000 0.721 223 K HN 0.756 nan 8.250 nan 0.000 0.447 224 Q N 1.380 121.198 119.800 0.031 0.000 2.050 224 Q HA -0.241 4.062 4.340 -0.061 0.000 0.202 224 Q C 2.360 178.379 176.000 0.032 0.000 0.980 224 Q CA 1.549 57.373 55.803 0.034 0.000 0.840 224 Q CB 0.054 28.805 28.738 0.021 0.000 0.898 224 Q HN 0.346 nan 8.270 nan 0.000 0.424 225 Q N 0.093 119.899 119.800 0.009 0.000 2.084 225 Q HA -0.172 4.131 4.340 -0.061 0.000 0.202 225 Q C 2.048 178.041 176.000 -0.012 0.000 0.978 225 Q CA 1.600 57.395 55.803 -0.013 0.000 0.844 225 Q CB -0.111 28.604 28.738 -0.038 0.000 0.898 225 Q HN 0.533 nan 8.270 nan 0.000 0.426 226 I N 0.591 121.166 120.570 0.008 0.000 2.286 226 I HA -0.250 3.883 4.170 -0.061 0.000 0.248 226 I C 2.405 178.588 176.117 0.110 0.000 1.115 226 I CA 0.898 62.207 61.300 0.014 0.000 1.392 226 I CB -0.407 37.635 38.000 0.069 0.000 1.065 226 I HN 0.252 nan 8.210 nan 0.000 0.418 227 A N 1.066 123.981 122.820 0.157 0.000 1.898 227 A HA -0.160 4.124 4.320 -0.061 0.000 0.216 227 A C 2.385 180.069 177.584 0.167 0.000 1.181 227 A CA 1.204 53.371 52.037 0.216 0.000 0.620 227 A CB -0.498 18.590 19.000 0.147 0.000 0.819 227 A HN 0.298 nan 8.150 nan 0.000 0.442 228 R N -0.640 119.919 120.500 0.098 0.000 2.127 228 R HA -0.107 4.197 4.340 -0.061 0.000 0.238 228 R C 2.277 178.630 176.300 0.088 0.000 1.134 228 R CA 1.043 57.196 56.100 0.089 0.000 0.975 228 R CB -0.546 29.785 30.300 0.053 0.000 0.865 228 R HN 0.536 nan 8.270 nan 0.000 0.447 229 G N 0.474 109.295 108.800 0.035 0.000 2.404 229 G HA2 -0.229 3.695 3.960 -0.061 0.000 0.215 229 G HA3 -0.229 3.695 3.960 -0.061 0.000 0.215 229 G C 1.055 175.960 174.900 0.008 0.000 1.174 229 G CA 0.368 45.484 45.100 0.027 0.000 0.780 229 G HN 0.141 nan 8.290 nan 0.000 0.537 230 F N 1.390 121.340 119.950 0.000 0.000 2.171 230 F HA 0.051 4.541 4.527 -0.062 0.000 0.300 230 F C 2.741 178.493 175.800 -0.081 0.000 1.090 230 F CA 1.345 59.247 58.000 -0.163 0.000 1.293 230 F CB -0.305 38.509 39.000 -0.310 0.000 1.013 230 F HN 0.226 nan 8.300 nan 0.000 0.486 231 E N -0.059 120.254 120.200 0.189 0.000 2.085 231 E HA -0.235 4.078 4.350 -0.061 0.000 0.194 231 E C 2.407 179.079 176.600 0.120 0.000 0.994 231 E CA 1.179 57.666 56.400 0.145 0.000 0.801 231 E CB -0.397 29.383 29.700 0.133 0.000 0.743 231 E HN 0.380 nan 8.360 nan 0.000 0.453 232 A N 1.027 123.933 122.820 0.142 0.000 1.969 232 A HA -0.117 4.166 4.320 -0.061 0.000 0.218 232 A C 2.163 179.773 177.584 0.043 0.000 1.169 232 A CA 0.899 53.029 52.037 0.155 0.000 0.635 232 A CB -0.448 18.726 19.000 0.291 0.000 0.810 232 A HN 0.121 nan 8.150 nan 0.000 0.445 233 L N -0.884 120.328 121.223 -0.018 0.000 2.109 233 L HA -0.151 4.153 4.340 -0.061 0.000 0.207 233 L C 2.546 179.407 176.870 -0.015 0.000 1.086 233 L CA 1.303 56.074 54.840 -0.116 0.000 0.760 233 L CB -0.559 41.401 42.059 -0.165 0.000 0.910 233 L HN 0.476 nan 8.230 nan 0.000 0.437 234 E N 0.510 120.744 120.200 0.055 0.000 2.028 234 E HA -0.192 4.121 4.350 -0.061 0.000 0.191 234 E C 2.333 178.964 176.600 0.051 0.000 0.988 234 E CA 1.157 57.610 56.400 0.089 0.000 0.799 234 E CB -0.215 29.567 29.700 0.137 0.000 0.755 234 E HN 0.449 nan 8.360 nan 0.000 0.447 235 A N 1.233 124.079 122.820 0.044 0.000 1.978 235 A HA -0.184 4.100 4.320 -0.061 0.000 0.220 235 A C 2.136 179.727 177.584 0.010 0.000 1.170 235 A CA 1.073 53.125 52.037 0.025 0.000 0.636 235 A CB -0.422 18.589 19.000 0.019 0.000 0.810 235 A HN 0.184 nan 8.150 nan 0.000 0.448 236 L N -0.124 121.098 121.223 -0.001 0.000 2.109 236 L HA -0.042 4.261 4.340 -0.061 0.000 0.207 236 L C 2.211 179.072 176.870 -0.016 0.000 1.086 236 L CA 2.372 57.199 54.840 -0.021 0.000 0.760 236 L CB -0.661 41.359 42.059 -0.065 0.000 0.910 236 L HN 0.610 nan 8.230 nan 0.000 0.437 237 E N -0.793 119.403 120.200 -0.005 0.000 2.110 237 E HA -0.214 4.099 4.350 -0.061 0.000 0.193 237 E C 1.772 178.380 176.600 0.015 0.000 0.988 237 E CA 1.031 57.437 56.400 0.009 0.000 0.804 237 E CB 0.089 29.810 29.700 0.034 0.000 0.745 237 E HN 0.503 nan 8.360 nan 0.000 0.458 238 E N 0.052 120.263 120.200 0.018 0.000 2.110 238 E HA -0.161 4.153 4.350 -0.061 0.000 0.193 238 E C 1.750 178.355 176.600 0.009 0.000 0.988 238 E CA 1.032 57.442 56.400 0.016 0.000 0.804 238 E CB -0.100 29.610 29.700 0.018 0.000 0.745 238 E HN 0.327 nan 8.360 nan 0.000 0.458 239 A N 0.321 123.144 122.820 0.005 0.000 2.238 239 A HA 0.093 4.376 4.320 -0.061 0.000 0.208 239 A C 1.976 179.561 177.584 0.001 0.000 1.177 239 A CA 0.228 52.267 52.037 0.002 0.000 0.804 239 A CB -0.165 18.834 19.000 0.000 0.000 0.823 239 A HN 0.111 nan 8.150 nan 0.000 0.482 240 L N -1.387 119.837 121.223 0.002 0.000 2.515 240 L HA 0.157 4.460 4.340 -0.061 0.000 0.223 240 L C 0.896 177.769 176.870 0.006 0.000 1.079 240 L CA 0.207 55.048 54.840 0.002 0.000 0.857 240 L CB 0.071 42.129 42.059 -0.001 0.000 1.050 240 L HN 0.183 nan 8.230 nan 0.000 0.476 246 G N 0.139 108.940 108.800 0.001 0.000 2.182 246 G HA2 0.301 4.225 3.960 -0.061 0.000 0.248 246 G HA3 0.301 4.225 3.960 -0.061 0.000 0.248 246 G C 1.116 176.016 174.900 -0.000 0.000 1.042 246 G CA 1.180 46.280 45.100 0.001 0.000 0.775 246 G HN 1.714 nan 8.290 nan 0.000 0.501 247 G N -0.903 107.896 108.800 -0.000 0.000 2.873 247 G HA2 0.532 4.455 3.960 -0.061 0.000 0.170 247 G HA3 0.532 4.455 3.960 -0.061 0.000 0.170 247 G C 0.158 175.056 174.900 -0.003 0.000 1.608 247 G CA -0.012 45.087 45.100 -0.002 0.000 1.084 247 G HN 0.564 nan 8.290 nan 0.000 0.563 248 Q N -0.078 119.720 119.800 -0.004 0.000 2.312 248 Q HA 0.450 4.753 4.340 -0.061 0.000 0.263 248 Q C -0.118 175.883 176.000 0.003 0.000 0.995 248 Q CA -0.580 55.222 55.803 -0.003 0.000 0.853 248 Q CB 2.024 30.756 28.738 -0.011 0.000 1.300 248 Q HN 0.633 nan 8.270 nan 0.000 0.448 249 S N 1.622 117.326 115.700 0.007 0.000 2.573 249 S HA 0.071 4.504 4.470 -0.061 0.000 0.277 249 S C 1.105 175.714 174.600 0.015 0.000 1.346 249 S CA -0.375 57.831 58.200 0.010 0.000 1.034 249 S CB 0.482 63.689 63.200 0.012 0.000 0.879 249 S HN 0.684 nan 8.310 nan 0.000 0.528 250 L N 1.014 122.244 121.223 0.013 0.000 2.083 250 L HA -0.123 4.180 4.340 -0.061 0.000 0.209 250 L C 3.079 179.968 176.870 0.031 0.000 1.083 250 L CA 1.680 56.529 54.840 0.015 0.000 0.752 250 L CB -1.003 41.061 42.059 0.008 0.000 0.899 250 L HN 0.756 nan 8.230 nan 0.000 0.433 251 E N -0.506 119.713 120.200 0.031 0.000 2.153 251 E HA -0.274 4.039 4.350 -0.061 0.000 0.194 251 E C 1.910 178.548 176.600 0.063 0.000 0.988 251 E CA 1.237 57.663 56.400 0.044 0.000 0.811 251 E CB -0.222 29.494 29.700 0.028 0.000 0.746 251 E HN 0.617 nan 8.360 nan 0.000 0.466 252 E N -0.147 120.084 120.200 0.052 0.000 2.076 252 E HA -0.031 4.283 4.350 -0.061 0.000 0.190 252 E C 2.195 178.845 176.600 0.083 0.000 0.979 252 E CA 0.514 56.951 56.400 0.061 0.000 0.807 252 E CB -0.056 29.667 29.700 0.038 0.000 0.761 252 E HN 0.300 nan 8.360 nan 0.000 0.454 253 L N 0.464 121.725 121.223 0.064 0.000 2.056 253 L HA -0.139 4.164 4.340 -0.061 0.000 0.207 253 L C 2.564 179.502 176.870 0.115 0.000 1.078 253 L CA 0.978 55.861 54.840 0.072 0.000 0.749 253 L CB -0.185 41.892 42.059 0.030 0.000 0.901 253 L HN 0.130 nan 8.230 nan 0.000 0.433 254 S N -0.954 114.804 115.700 0.098 0.000 2.368 254 S HA -0.220 4.214 4.470 -0.061 0.000 0.225 254 S C 2.141 176.882 174.600 0.235 0.000 1.030 254 S CA 1.628 59.899 58.200 0.118 0.000 0.999 254 S CB -0.258 63.040 63.200 0.163 0.000 0.844 254 S HN 0.396 nan 8.310 nan 0.000 0.459 255 S N 0.236 116.084 115.700 0.248 0.000 2.440 255 S HA -0.202 4.231 4.470 -0.061 0.000 0.238 255 S C 1.729 176.467 174.600 0.229 0.000 1.010 255 S CA 1.445 59.805 58.200 0.266 0.000 0.972 255 S CB -0.293 63.007 63.200 0.167 0.000 0.774 255 S HN 0.718 nan 8.310 nan 0.000 0.501 256 H N -0.543 118.592 119.070 0.108 0.000 2.415 256 H HA 0.100 4.619 4.556 -0.061 0.000 0.297 256 H C 1.622 176.982 175.328 0.053 0.000 1.048 256 H CA 1.496 57.587 56.048 0.072 0.000 1.365 256 H CB -0.462 29.335 29.762 0.057 0.000 1.421 256 H HN 0.500 nan 8.280 nan 0.000 0.533 257 F N 0.103 119.993 119.950 -0.100 0.000 2.171 257 F HA -0.201 4.289 4.527 -0.062 0.000 0.300 257 F C 1.055 176.687 175.800 -0.279 0.000 1.090 257 F CA 1.214 59.059 58.000 -0.259 0.000 1.293 257 F CB -0.525 38.239 39.000 -0.394 0.000 1.013 257 F HN 0.168 nan 8.300 nan 0.000 0.486 258 Y N 0.106 120.293 120.300 -0.189 0.000 2.561 258 Y HA -0.022 4.491 4.550 -0.061 0.000 0.291 258 Y C 2.446 178.236 175.900 -0.184 0.000 1.141 258 Y CA 1.190 59.155 58.100 -0.225 0.000 1.303 258 Y CB -1.187 37.247 38.460 -0.043 0.000 1.015 258 Y HN 0.017 nan 8.280 nan 0.000 0.547 259 T N -1.387 113.107 114.554 -0.100 0.000 2.937 259 T HA -0.059 4.254 4.350 -0.061 0.000 0.260 259 T C 2.034 176.605 174.700 -0.216 0.000 1.051 259 T CA 1.176 63.192 62.100 -0.141 0.000 1.141 259 T CB -0.368 68.389 68.868 -0.185 0.000 0.879 259 T HN 0.104 nan 8.240 nan 0.000 0.459 260 V N 1.173 120.889 119.914 -0.329 0.000 2.535 260 V HA 0.137 4.221 4.120 -0.061 0.000 0.246 260 V C 0.723 176.656 176.094 -0.270 0.000 1.045 260 V CA 0.833 62.966 62.300 -0.279 0.000 1.058 260 V CB -0.068 31.595 31.823 -0.267 0.000 0.689 260 V HN 0.398 nan 8.190 nan 0.000 0.461 261 I N 1.626 121.950 120.570 -0.410 0.000 2.557 261 I HA 0.363 4.496 4.170 -0.061 0.000 0.277 261 I C -2.822 173.189 176.117 -0.177 0.000 1.106 261 I CA -2.947 58.129 61.300 -0.373 0.000 1.180 261 I CB 0.281 37.920 38.000 -0.601 0.000 1.392 261 I HN 0.112 nan 8.210 nan 0.000 0.506 262 P HA 0.029 nan 4.420 nan 0.000 0.260 262 P C -0.467 176.820 177.300 -0.021 0.000 1.185 262 P CA 0.754 63.847 63.100 -0.012 0.000 0.763 262 P CB 0.152 31.817 31.700 -0.058 0.000 0.776 263 H N 1.664 120.734 119.070 -0.000 0.000 2.525 263 H HA 0.483 5.002 4.556 -0.061 0.000 0.340 263 H C 0.267 175.489 175.328 -0.176 0.000 1.168 263 H CA -0.366 55.640 56.048 -0.071 0.000 1.247 263 H CB 0.926 30.755 29.762 0.112 0.000 1.568 263 H HN 0.246 nan 8.280 nan 0.000 0.536 264 N N 1.388 119.905 118.700 -0.305 0.000 2.479 264 N HA 0.213 4.917 4.740 -0.061 0.000 0.261 264 N C -1.683 173.521 175.510 -0.509 0.000 0.979 264 N CA -0.290 52.593 53.050 -0.280 0.000 0.930 264 N CB 0.338 38.698 38.487 -0.211 0.000 1.172 264 N HN 0.389 nan 8.380 nan 0.000 0.499 265 F N 2.175 122.121 119.950 -0.005 0.000 2.688 265 F HA 0.379 4.869 4.527 -0.061 0.000 0.376 265 F C 1.312 177.098 175.800 -0.023 0.000 1.428 265 F CA -0.594 57.395 58.000 -0.017 0.000 1.156 265 F CB 0.849 39.819 39.000 -0.050 0.000 1.141 265 F HN 0.691 nan 8.300 nan 0.000 0.521 266 G N 0.067 108.919 108.800 0.087 0.000 2.225 266 G HA2 -0.192 3.731 3.960 -0.061 0.000 0.267 266 G HA3 -0.192 3.731 3.960 -0.061 0.000 0.267 266 G C 0.412 175.342 174.900 0.051 0.000 1.024 266 G CA 1.280 46.413 45.100 0.055 0.000 0.784 266 G HN 1.988 nan 8.290 nan 0.000 0.507 267 H N -3.413 115.692 119.070 0.059 0.000 2.886 267 H HA 0.041 4.560 4.556 -0.061 0.000 0.294 267 H C 1.164 176.514 175.328 0.036 0.000 1.246 267 H CA 1.725 57.798 56.048 0.041 0.000 1.142 267 H CB -2.036 27.738 29.762 0.020 0.000 1.358 267 H HN 1.593 nan 8.280 nan 0.000 0.406 268 S N 0.382 116.114 115.700 0.054 0.000 2.767 268 S HA 0.597 5.030 4.470 -0.061 0.000 0.300 268 S C 0.068 174.648 174.600 -0.033 0.000 1.123 268 S CA -0.793 57.412 58.200 0.009 0.000 0.992 268 S CB 1.384 64.585 63.200 0.003 0.000 1.138 268 S HN 0.656 nan 8.310 nan 0.000 0.550 269 Q N 1.952 121.706 119.800 -0.078 0.000 2.296 269 Q HA 0.297 4.601 4.340 -0.061 0.000 0.263 269 Q C -2.271 173.580 176.000 -0.250 0.000 1.026 269 Q CA -1.514 54.215 55.803 -0.122 0.000 0.912 269 Q CB -0.596 28.088 28.738 -0.090 0.000 1.198 269 Q HN 0.299 nan 8.270 nan 0.000 0.407 270 P HA 0.098 nan 4.420 nan 0.000 0.268 270 P C -2.365 174.629 177.300 -0.511 0.000 1.208 270 P CA -0.808 61.874 63.100 -0.697 0.000 0.777 270 P CB -0.267 30.804 31.700 -1.049 0.000 0.875 271 P HA 0.261 nan 4.420 nan 0.000 0.276 271 P C -2.492 174.795 177.300 -0.021 0.000 1.230 271 P CA -1.422 61.534 63.100 -0.239 0.000 0.776 271 P CB -0.600 30.955 31.700 -0.241 0.000 0.888 272 P HA 0.211 nan 4.420 nan 0.000 0.276 272 P C -0.177 177.147 177.300 0.039 0.000 1.253 272 P CA -0.015 63.119 63.100 0.056 0.000 0.766 272 P CB 0.161 31.872 31.700 0.018 0.000 0.845 273 I N 3.555 124.149 120.570 0.040 0.000 2.472 273 I HA -0.024 4.109 4.170 -0.061 0.000 0.305 273 I C 0.735 176.837 176.117 -0.026 0.000 1.196 273 I CA 0.210 61.496 61.300 -0.023 0.000 1.613 273 I CB -0.776 37.154 38.000 -0.117 0.000 1.501 273 I HN 0.363 nan 8.210 nan 0.000 0.754 274 N N 1.994 120.686 118.700 -0.013 0.000 2.204 274 N HA 0.021 4.724 4.740 -0.061 0.000 0.219 274 N C -0.013 175.490 175.510 -0.011 0.000 1.151 274 N CA -0.422 52.621 53.050 -0.011 0.000 0.867 274 N CB 0.471 38.954 38.487 -0.006 0.000 1.043 274 N HN 0.439 nan 8.380 nan 0.000 0.516 275 S N -1.337 114.354 115.700 -0.014 0.000 2.570 275 S HA 0.547 4.980 4.470 -0.061 0.000 0.286 275 S C -2.237 172.357 174.600 -0.010 0.000 1.099 275 S CA -1.256 56.938 58.200 -0.009 0.000 0.913 275 S CB 2.844 66.041 63.200 -0.006 0.000 1.085 275 S HN -0.178 nan 8.310 nan 0.000 0.480 276 P HA -0.028 nan 4.420 nan 0.000 0.221 276 P C 0.764 178.067 177.300 0.006 0.000 1.150 276 P CA 1.130 64.232 63.100 0.004 0.000 0.800 276 P CB 0.110 31.817 31.700 0.011 0.000 0.787 277 E N -0.195 120.008 120.200 0.006 0.000 2.072 277 E HA -0.111 4.202 4.350 -0.061 0.000 0.191 277 E C 1.967 178.571 176.600 0.007 0.000 0.985 277 E CA 0.716 57.122 56.400 0.009 0.000 0.801 277 E CB -1.102 28.603 29.700 0.007 0.000 0.750 277 E HN 0.098 nan 8.360 nan 0.000 0.452 278 L N 0.214 121.436 121.223 -0.001 0.000 2.217 278 L HA -0.026 4.278 4.340 -0.061 0.000 0.211 278 L C 1.919 178.768 176.870 -0.035 0.000 1.107 278 L CA 0.900 55.737 54.840 -0.005 0.000 0.783 278 L CB -0.304 41.751 42.059 -0.007 0.000 0.919 278 L HN 0.185 nan 8.230 nan 0.000 0.442 279 L N -0.615 120.582 121.223 -0.044 0.000 1.994 279 L HA -0.220 4.083 4.340 -0.061 0.000 0.208 279 L C 2.471 179.314 176.870 -0.045 0.000 1.071 279 L CA 1.969 56.765 54.840 -0.073 0.000 0.745 279 L CB -0.873 41.159 42.059 -0.045 0.000 0.892 279 L HN 0.368 nan 8.230 nan 0.000 0.431 280 Q N -0.280 119.522 119.800 0.003 0.000 2.224 280 Q HA -0.060 4.243 4.340 -0.061 0.000 0.203 280 Q C 2.054 178.077 176.000 0.038 0.000 0.970 280 Q CA 1.641 57.466 55.803 0.037 0.000 0.865 280 Q CB -0.390 28.377 28.738 0.049 0.000 0.922 280 Q HN 0.632 nan 8.270 nan 0.000 0.445 281 A N 0.352 123.186 122.820 0.024 0.000 1.902 281 A HA -0.164 4.119 4.320 -0.061 0.000 0.217 281 A C 1.882 179.493 177.584 0.046 0.000 1.181 281 A CA 1.532 53.594 52.037 0.042 0.000 0.623 281 A CB -0.355 18.673 19.000 0.047 0.000 0.818 281 A HN 0.169 nan 8.150 nan 0.000 0.443 282 K N 0.246 120.640 120.400 -0.011 0.000 2.155 282 K HA -0.032 4.251 4.320 -0.061 0.000 0.203 282 K C 1.827 178.398 176.600 -0.048 0.000 1.052 282 K CA 1.313 57.572 56.287 -0.046 0.000 0.948 282 K CB -0.303 31.999 32.500 -0.330 0.000 0.728 282 K HN 0.560 nan 8.250 nan 0.000 0.448 283 K N 0.846 121.238 120.400 -0.014 0.000 2.057 283 K HA -0.117 4.166 4.320 -0.061 0.000 0.206 283 K C 1.603 178.307 176.600 0.172 0.000 1.050 283 K CA 1.397 57.754 56.287 0.117 0.000 0.935 283 K CB -0.054 32.572 32.500 0.211 0.000 0.715 283 K HN 0.050 nan 8.250 nan 0.000 0.439 284 D N 0.757 121.232 120.400 0.126 0.000 2.144 284 D HA -0.169 4.434 4.640 -0.061 0.000 0.199 284 D C 1.776 178.143 176.300 0.112 0.000 0.984 284 D CA 0.901 54.975 54.000 0.123 0.000 0.834 284 D CB -0.075 40.782 40.800 0.094 0.000 0.955 284 D HN 0.115 nan 8.370 nan 0.000 0.465 285 M N 0.311 119.966 119.600 0.093 0.000 2.132 285 M HA -0.093 4.350 4.480 -0.061 0.000 0.263 285 M C 1.949 178.284 176.300 0.058 0.000 1.065 285 M CA 1.061 56.413 55.300 0.088 0.000 1.122 285 M CB -0.415 32.259 32.600 0.123 0.000 1.365 285 M HN 0.011 nan 8.290 nan 0.000 0.411 286 L N 0.052 121.278 121.223 0.006 0.000 2.141 286 L HA -0.193 4.111 4.340 -0.061 0.000 0.209 286 L C 2.432 179.347 176.870 0.074 0.000 1.094 286 L CA 0.673 55.453 54.840 -0.101 0.000 0.763 286 L CB -0.435 41.277 42.059 -0.578 0.000 0.908 286 L HN 0.333 nan 8.230 nan 0.000 0.437 287 L N -1.217 120.135 121.223 0.214 0.000 2.056 287 L HA -0.202 4.102 4.340 -0.061 0.000 0.207 287 L C 2.453 179.414 176.870 0.152 0.000 1.078 287 L CA 0.856 55.852 54.840 0.260 0.000 0.749 287 L CB -0.361 41.846 42.059 0.246 0.000 0.901 287 L HN 0.066 nan 8.230 nan 0.000 0.433 288 V N -0.262 119.723 119.914 0.118 0.000 2.358 288 V HA -0.278 3.805 4.120 -0.061 0.000 0.246 288 V C 2.329 178.470 176.094 0.078 0.000 1.047 288 V CA 1.462 63.822 62.300 0.100 0.000 1.035 288 V CB -0.327 31.554 31.823 0.097 0.000 0.658 288 V HN 0.311 nan 8.190 nan 0.000 0.452 289 L N 0.755 122.012 121.223 0.055 0.000 2.131 289 L HA -0.076 4.227 4.340 -0.061 0.000 0.210 289 L C 2.400 179.279 176.870 0.014 0.000 1.092 289 L CA 2.131 56.981 54.840 0.017 0.000 0.759 289 L CB -0.769 41.281 42.059 -0.015 0.000 0.903 289 L HN 0.239 nan 8.230 nan 0.000 0.435 290 A N -1.138 121.718 122.820 0.060 0.000 1.969 290 A HA -0.189 4.095 4.320 -0.061 0.000 0.218 290 A C 1.919 179.525 177.584 0.038 0.000 1.169 290 A CA 1.806 53.888 52.037 0.076 0.000 0.635 290 A CB -0.594 18.504 19.000 0.163 0.000 0.810 290 A HN 0.476 nan 8.150 nan 0.000 0.445 291 D N -0.402 120.022 120.400 0.041 0.000 2.317 291 D HA 0.038 4.641 4.640 -0.061 0.000 0.211 291 D C 1.725 178.008 176.300 -0.029 0.000 0.966 291 D CA 0.471 54.485 54.000 0.023 0.000 0.876 291 D CB -0.134 40.698 40.800 0.054 0.000 0.927 291 D HN 0.526 nan 8.370 nan 0.000 0.519 292 I N 0.574 121.103 120.570 -0.068 0.000 2.353 292 I HA -0.148 3.985 4.170 -0.061 0.000 0.248 292 I C 2.371 178.298 176.117 -0.316 0.000 1.119 292 I CA 0.789 61.921 61.300 -0.280 0.000 1.417 292 I CB -0.041 37.834 38.000 -0.208 0.000 1.078 292 I HN -0.057 nan 8.210 nan 0.000 0.421 293 E N 1.581 121.688 120.200 -0.154 0.000 2.106 293 E HA -0.217 4.096 4.350 -0.061 0.000 0.192 293 E C 2.287 178.837 176.600 -0.084 0.000 0.984 293 E CA 1.034 57.366 56.400 -0.113 0.000 0.806 293 E CB -0.118 29.549 29.700 -0.054 0.000 0.750 293 E HN 0.485 nan 8.360 nan 0.000 0.458 294 L N 0.454 121.644 121.223 -0.055 0.000 2.042 294 L HA -0.196 4.108 4.340 -0.061 0.000 0.210 294 L C 2.433 179.297 176.870 -0.010 0.000 1.076 294 L CA 1.866 56.693 54.840 -0.021 0.000 0.749 294 L CB -0.354 41.703 42.059 -0.004 0.000 0.893 294 L HN 0.131 nan 8.230 nan 0.000 0.432 295 A N -0.975 121.819 122.820 -0.043 0.000 1.930 295 A HA -0.201 4.082 4.320 -0.061 0.000 0.217 295 A C 2.147 179.759 177.584 0.047 0.000 1.175 295 A CA 1.400 53.466 52.037 0.048 0.000 0.627 295 A CB -0.414 18.573 19.000 -0.023 0.000 0.815 295 A HN 0.566 nan 8.150 nan 0.000 0.443 296 Q N -0.306 119.437 119.800 -0.096 0.000 2.016 296 Q HA -0.070 4.233 4.340 -0.061 0.000 0.200 296 Q C 2.431 178.416 176.000 -0.025 0.000 0.978 296 Q CA 1.726 57.487 55.803 -0.070 0.000 0.833 296 Q CB -1.043 27.621 28.738 -0.124 0.000 0.895 296 Q HN 0.619 nan 8.270 nan 0.000 0.427 297 A N 0.908 123.712 122.820 -0.027 0.000 1.978 297 A HA -0.159 4.125 4.320 -0.061 0.000 0.220 297 A C 2.129 179.713 177.584 -0.000 0.000 1.170 297 A CA 1.294 53.323 52.037 -0.013 0.000 0.636 297 A CB -0.585 18.408 19.000 -0.012 0.000 0.810 297 A HN 0.308 nan 8.150 nan 0.000 0.448 298 L N -0.406 120.830 121.223 0.021 0.000 2.093 298 L HA -0.116 4.188 4.340 -0.061 0.000 0.208 298 L C 2.213 179.085 176.870 0.003 0.000 1.085 298 L CA 1.989 56.850 54.840 0.034 0.000 0.755 298 L CB -0.521 41.598 42.059 0.101 0.000 0.904 298 L HN 0.477 nan 8.230 nan 0.000 0.435 299 Q N -0.056 119.743 119.800 -0.002 0.000 2.482 299 Q HA 0.164 4.467 4.340 -0.061 0.000 0.209 299 Q C 0.727 176.699 176.000 -0.046 0.000 0.961 299 Q CA 0.279 56.047 55.803 -0.058 0.000 0.945 299 Q CB -0.136 28.569 28.738 -0.054 0.000 1.012 299 Q HN 0.586 nan 8.270 nan 0.000 0.515 300 A N 0.940 123.743 122.820 -0.028 0.000 2.566 300 A HA 0.089 4.372 4.320 -0.061 0.000 0.245 300 A C 0.173 177.740 177.584 -0.029 0.000 1.056 300 A CA -0.038 51.984 52.037 -0.025 0.000 0.757 300 A CB 0.215 19.204 19.000 -0.018 0.000 0.979 300 A HN 0.094 nan 8.150 nan 0.000 0.508 301 V N 4.594 124.491 119.914 -0.028 0.000 2.439 301 V HA 0.225 4.309 4.120 -0.061 0.000 0.271 301 V C 1.011 177.092 176.094 -0.022 0.000 1.040 301 V CA 0.344 62.627 62.300 -0.028 0.000 1.002 301 V CB 0.046 31.852 31.823 -0.027 0.000 1.000 301 V HN 1.028 nan 8.190 nan 0.000 0.477 302 S N 4.053 119.740 115.700 -0.021 0.000 2.632 302 S HA 0.320 4.753 4.470 -0.061 0.000 0.271 302 S C 0.885 175.476 174.600 -0.014 0.000 1.260 302 S CA -0.754 57.436 58.200 -0.016 0.000 1.010 302 S CB 1.358 64.548 63.200 -0.016 0.000 0.965 302 S HN 0.659 nan 8.310 nan 0.000 0.534 303 E N 1.169 121.362 120.200 -0.012 0.000 2.153 303 E HA -0.228 4.086 4.350 -0.061 0.000 0.194 303 E C 2.225 178.820 176.600 -0.009 0.000 0.988 303 E CA 1.537 57.931 56.400 -0.010 0.000 0.811 303 E CB -0.452 29.243 29.700 -0.008 0.000 0.746 303 E HN 0.946 nan 8.360 nan 0.000 0.466 304 Q N 0.842 120.636 119.800 -0.010 0.000 2.135 304 Q HA -0.189 4.114 4.340 -0.061 0.000 0.204 304 Q C 1.586 177.580 176.000 -0.009 0.000 0.981 304 Q CA 1.646 57.444 55.803 -0.008 0.000 0.856 304 Q CB -0.350 28.383 28.738 -0.009 0.000 0.902 304 Q HN 0.296 nan 8.270 nan 0.000 0.425 305 E N 1.020 121.213 120.200 -0.012 0.000 2.158 305 E HA -0.069 4.244 4.350 -0.061 0.000 0.191 305 E C 1.701 178.294 176.600 -0.013 0.000 0.982 305 E CA 0.905 57.297 56.400 -0.013 0.000 0.823 305 E CB 0.166 29.855 29.700 -0.019 0.000 0.766 305 E HN 0.400 nan 8.360 nan 0.000 0.468 306 K N 0.271 120.663 120.400 -0.012 0.000 2.432 306 K HA -0.013 4.270 4.320 -0.061 0.000 0.196 306 K C 1.355 177.949 176.600 -0.009 0.000 1.038 306 K CA 1.253 57.533 56.287 -0.011 0.000 0.986 306 K CB 0.258 32.751 32.500 -0.011 0.000 0.782 306 K HN 0.103 nan 8.250 nan 0.000 0.485 307 T N -1.802 112.748 114.554 -0.008 0.000 3.214 307 T HA 0.256 4.569 4.350 -0.061 0.000 0.264 307 T C 0.104 174.801 174.700 -0.005 0.000 1.012 307 T CA -0.549 61.548 62.100 -0.006 0.000 0.901 307 T CB 0.028 68.894 68.868 -0.005 0.000 1.070 307 T HN -0.248 nan 8.240 nan 0.000 0.561 308 V N 1.895 121.806 119.914 -0.005 0.000 2.555 308 V HA 0.348 4.431 4.120 -0.061 0.000 0.302 308 V C 0.873 176.965 176.094 -0.003 0.000 1.038 308 V CA -0.815 61.483 62.300 -0.003 0.000 0.887 308 V CB 2.061 33.882 31.823 -0.003 0.000 0.991 308 V HN 0.239 nan 8.190 nan 0.000 0.434 309 E N 2.015 122.214 120.200 -0.002 0.000 2.274 309 E HA -0.019 4.294 4.350 -0.061 0.000 0.194 309 E C 0.163 176.763 176.600 -0.001 0.000 0.996 309 E CA 0.654 57.053 56.400 -0.001 0.000 0.840 309 E CB 0.445 30.145 29.700 -0.000 0.000 0.772 309 E HN 0.745 nan 8.360 nan 0.000 0.491 310 E N 0.550 120.750 120.200 0.001 0.000 2.210 310 E HA 0.353 4.666 4.350 -0.061 0.000 0.266 310 E C -0.591 176.010 176.600 0.002 0.000 0.883 310 E CA -0.623 55.779 56.400 0.003 0.000 0.761 310 E CB 2.832 32.536 29.700 0.007 0.000 1.156 310 E HN -0.120 nan 8.360 nan 0.000 0.412 311 V N 0.013 119.927 119.914 -0.000 0.000 2.667 311 V HA 0.639 4.723 4.120 -0.061 0.000 0.308 311 V C -2.697 173.402 176.094 0.009 0.000 1.048 311 V CA -2.764 59.535 62.300 -0.003 0.000 0.928 311 V CB 1.306 33.118 31.823 -0.017 0.000 1.004 311 V HN 0.452 nan 8.190 nan 0.000 0.444 312 P HA 0.175 nan 4.420 nan 0.000 0.274 312 P C -0.404 176.930 177.300 0.056 0.000 1.246 312 P CA -0.150 62.978 63.100 0.046 0.000 0.795 312 P CB 0.190 31.919 31.700 0.048 0.000 1.006 313 H N 2.926 121.997 119.070 0.001 0.000 3.001 313 H HA -0.014 4.506 4.556 -0.061 0.000 0.334 313 H C -1.411 173.914 175.328 -0.005 0.000 1.034 313 H CA -0.771 55.277 56.048 -0.001 0.000 1.420 313 H CB 0.266 30.028 29.762 0.000 0.000 1.405 313 H HN 0.217 nan 8.280 nan 0.000 0.593 314 P HA -0.214 nan 4.420 nan 0.000 0.218 314 P C 1.765 179.081 177.300 0.027 0.000 1.152 314 P CA 1.390 64.405 63.100 -0.142 0.000 0.857 314 P CB 0.176 31.734 31.700 -0.236 0.000 0.787 315 L N -1.068 120.314 121.223 0.265 0.000 2.072 315 L HA -0.138 4.165 4.340 -0.061 0.000 0.205 315 L C 2.157 179.125 176.870 0.164 0.000 1.079 315 L CA 1.407 56.377 54.840 0.217 0.000 0.752 315 L CB -1.000 41.202 42.059 0.239 0.000 0.906 315 L HN -0.040 nan 8.230 nan 0.000 0.436 316 D N 0.035 120.544 120.400 0.180 0.000 2.104 316 D HA -0.226 4.377 4.640 -0.061 0.000 0.194 316 D C 2.188 178.573 176.300 0.141 0.000 0.994 316 D CA 1.214 55.307 54.000 0.155 0.000 0.830 316 D CB -0.129 40.745 40.800 0.124 0.000 0.959 316 D HN 0.211 nan 8.370 nan 0.000 0.452 317 R N 0.733 121.273 120.500 0.068 0.000 2.080 317 R HA -0.167 4.137 4.340 -0.061 0.000 0.236 317 R C 1.601 177.867 176.300 -0.058 0.000 1.137 317 R CA 1.850 57.949 56.100 -0.002 0.000 0.943 317 R CB -0.056 30.219 30.300 -0.041 0.000 0.846 317 R HN 0.026 nan 8.270 nan 0.000 0.431 318 D N -0.467 119.859 120.400 -0.123 0.000 2.123 318 D HA -0.211 4.392 4.640 -0.061 0.000 0.196 318 D C 1.636 177.890 176.300 -0.077 0.000 0.992 318 D CA 1.237 55.034 54.000 -0.337 0.000 0.833 318 D CB -0.514 39.980 40.800 -0.511 0.000 0.954 318 D HN 0.334 nan 8.370 nan 0.000 0.455 319 Y N 1.495 121.777 120.300 -0.030 0.000 2.224 319 Y HA -0.196 4.315 4.550 -0.063 0.000 0.289 319 Y C 2.121 178.035 175.900 0.024 0.000 1.146 319 Y CA 1.638 59.759 58.100 0.034 0.000 1.182 319 Y CB -0.167 38.307 38.460 0.024 0.000 0.983 319 Y HN 0.010 nan 8.280 nan 0.000 0.524 320 Q N -0.344 119.429 119.800 -0.046 0.000 2.311 320 Q HA -0.052 4.252 4.340 -0.061 0.000 0.203 320 Q C 2.132 178.064 176.000 -0.114 0.000 0.954 320 Q CA 1.059 56.792 55.803 -0.118 0.000 0.885 320 Q CB -0.028 28.705 28.738 -0.010 0.000 0.963 320 Q HN 0.505 nan 8.270 nan 0.000 0.471 321 L N 0.216 121.387 121.223 -0.087 0.000 2.275 321 L HA -0.125 4.178 4.340 -0.061 0.000 0.215 321 L C 1.919 178.781 176.870 -0.014 0.000 1.119 321 L CA 0.676 55.482 54.840 -0.056 0.000 0.790 321 L CB -0.173 41.832 42.059 -0.089 0.000 0.919 321 L HN 0.288 nan 8.230 nan 0.000 0.443 322 L N -0.516 120.691 121.223 -0.027 0.000 2.291 322 L HA -0.101 4.202 4.340 -0.061 0.000 0.214 322 L C 0.950 177.764 176.870 -0.094 0.000 1.120 322 L CA 0.389 55.216 54.840 -0.022 0.000 0.799 322 L CB -0.295 41.742 42.059 -0.037 0.000 0.925 322 L HN 0.209 nan 8.230 nan 0.000 0.446 323 K N -0.520 119.792 120.400 -0.147 0.000 3.012 323 K HA -0.249 4.034 4.320 -0.061 0.000 0.259 323 K C -0.349 176.171 176.600 -0.133 0.000 0.989 323 K CA 0.451 56.660 56.287 -0.131 0.000 0.728 323 K CB -1.709 30.748 32.500 -0.073 0.000 1.260 323 K HN 0.410 nan 8.250 nan 0.000 0.480 324 C N 0.452 119.632 119.300 -0.201 0.000 2.482 324 C HA 0.340 4.763 4.460 -0.061 0.000 0.317 324 C C -0.196 174.698 174.990 -0.160 0.000 1.197 324 C CA -0.717 58.217 59.018 -0.140 0.000 1.432 324 C CB 1.780 29.463 27.740 -0.094 0.000 2.062 324 C HN 0.535 nan 8.230 nan 0.000 0.471 325 Q N 3.865 123.644 119.800 -0.036 0.000 2.286 325 Q HA 0.570 4.873 4.340 -0.061 0.000 0.257 325 Q C -1.326 174.776 176.000 0.169 0.000 0.941 325 Q CA -0.033 55.819 55.803 0.082 0.000 0.912 325 Q CB 0.719 29.505 28.738 0.080 0.000 1.192 325 Q HN 0.825 nan 8.270 nan 0.000 0.410 326 L N 4.450 125.873 121.223 0.333 0.000 2.366 326 L HA 0.304 4.607 4.340 -0.061 0.000 0.266 326 L C -0.854 176.236 176.870 0.368 0.000 1.010 326 L CA -0.661 54.377 54.840 0.330 0.000 0.879 326 L CB 1.611 43.830 42.059 0.266 0.000 1.228 326 L HN 0.574 nan 8.230 nan 0.000 0.439 327 Q N 3.031 123.026 119.800 0.324 0.000 2.360 327 Q HA 0.358 4.661 4.340 -0.061 0.000 0.254 327 Q C -0.879 175.277 176.000 0.260 0.000 0.975 327 Q CA -0.492 55.463 55.803 0.253 0.000 0.912 327 Q CB 1.528 30.367 28.738 0.169 0.000 1.212 327 Q HN 0.488 nan 8.270 nan 0.000 0.452 328 L N 5.255 126.584 121.223 0.176 0.000 2.410 328 L HA 0.273 4.576 4.340 -0.061 0.000 0.273 328 L C -0.984 175.863 176.870 -0.039 0.000 1.144 328 L CA 0.443 55.224 54.840 -0.099 0.000 0.863 328 L CB 0.194 42.128 42.059 -0.208 0.000 1.140 328 L HN 0.710 nan 8.230 nan 0.000 0.463 329 L N 4.200 125.411 121.223 -0.020 0.000 2.456 329 L HA 0.428 4.731 4.340 -0.061 0.000 0.257 329 L C 0.029 176.902 176.870 0.005 0.000 1.162 329 L CA -0.731 54.152 54.840 0.072 0.000 0.808 329 L CB 0.953 43.141 42.059 0.215 0.000 1.136 329 L HN 0.708 nan 8.230 nan 0.000 0.466 330 D N -0.956 119.396 120.400 -0.080 0.000 2.654 330 D HA 0.222 4.825 4.640 -0.061 0.000 0.255 330 D C 0.340 176.248 176.300 -0.654 0.000 1.101 330 D CA -0.584 53.250 54.000 -0.277 0.000 1.116 330 D CB 1.387 42.084 40.800 -0.172 0.000 1.348 330 D HN 0.305 nan 8.370 nan 0.000 0.609 331 S N -0.667 114.630 115.700 -0.672 0.000 2.382 331 S HA -0.020 4.413 4.470 -0.061 0.000 0.228 331 S C 1.868 176.254 174.600 -0.357 0.000 1.027 331 S CA 1.152 58.921 58.200 -0.718 0.000 0.991 331 S CB -0.544 62.416 63.200 -0.401 0.000 0.823 331 S HN 0.750 nan 8.310 nan 0.000 0.469 332 G N 1.029 109.696 108.800 -0.221 0.000 2.848 332 G HA2 0.354 4.277 3.960 -0.061 0.000 0.208 332 G HA3 0.354 4.277 3.960 -0.061 0.000 0.208 332 G C 0.327 175.191 174.900 -0.060 0.000 1.152 332 G CA 0.285 45.320 45.100 -0.108 0.000 0.789 332 G HN 0.606 nan 8.290 nan 0.000 0.531 333 A N 0.814 123.597 122.820 -0.062 0.000 2.477 333 A HA 0.522 4.806 4.320 -0.061 0.000 0.246 333 A C -0.585 177.038 177.584 0.064 0.000 1.078 333 A CA -0.889 51.166 52.037 0.031 0.000 0.770 333 A CB 0.887 19.946 19.000 0.098 0.000 1.011 333 A HN 0.106 nan 8.150 nan 0.000 0.494 334 P HA -0.176 nan 4.420 nan 0.000 0.215 334 P C 1.147 178.476 177.300 0.047 0.000 1.157 334 P CA 1.605 64.732 63.100 0.046 0.000 0.868 334 P CB 0.172 31.897 31.700 0.041 0.000 0.788 335 E N -1.483 118.744 120.200 0.044 0.000 2.489 335 E HA -0.133 4.180 4.350 -0.061 0.000 0.193 335 E C 1.647 178.208 176.600 -0.066 0.000 1.057 335 E CA 0.168 56.553 56.400 -0.026 0.000 0.866 335 E CB -1.013 28.656 29.700 -0.053 0.000 0.916 335 E HN 0.301 nan 8.360 nan 0.000 0.500 336 Y N 2.718 122.961 120.300 -0.096 0.000 2.114 336 Y HA -0.173 4.337 4.550 -0.068 0.000 0.284 336 Y C 2.135 177.996 175.900 -0.065 0.000 1.143 336 Y CA 2.269 60.314 58.100 -0.093 0.000 1.135 336 Y CB 0.115 38.537 38.460 -0.063 0.000 0.980 336 Y HN -0.102 nan 8.280 nan 0.000 0.499 337 K N -0.762 119.742 120.400 0.173 0.000 2.097 337 K HA -0.140 4.143 4.320 -0.061 0.000 0.206 337 K C 1.986 178.602 176.600 0.026 0.000 1.049 337 K CA 1.486 57.838 56.287 0.109 0.000 0.933 337 K CB -0.505 32.053 32.500 0.095 0.000 0.717 337 K HN 0.206 nan 8.250 nan 0.000 0.442 338 V N 2.113 122.024 119.914 -0.006 0.000 2.332 338 V HA -0.255 3.829 4.120 -0.061 0.000 0.248 338 V C 2.212 178.300 176.094 -0.010 0.000 1.055 338 V CA 1.690 63.975 62.300 -0.026 0.000 1.038 338 V CB -0.396 31.388 31.823 -0.066 0.000 0.651 338 V HN 0.277 nan 8.190 nan 0.000 0.450 339 I N -0.667 119.850 120.570 -0.089 0.000 2.315 339 I HA -0.260 3.874 4.170 -0.061 0.000 0.248 339 I C 2.603 178.744 176.117 0.039 0.000 1.117 339 I CA 1.544 62.812 61.300 -0.053 0.000 1.404 339 I CB -0.362 37.468 38.000 -0.283 0.000 1.071 339 I HN 0.370 nan 8.210 nan 0.000 0.419 340 Q N 0.491 120.242 119.800 -0.081 0.000 2.079 340 Q HA -0.177 4.127 4.340 -0.061 0.000 0.200 340 Q C 2.141 178.173 176.000 0.053 0.000 0.974 340 Q CA 2.077 57.850 55.803 -0.050 0.000 0.840 340 Q CB 0.078 28.775 28.738 -0.068 0.000 0.898 340 Q HN 0.431 nan 8.270 nan 0.000 0.430 341 T N 0.071 114.674 114.554 0.081 0.000 2.737 341 T HA -0.173 4.141 4.350 -0.061 0.000 0.265 341 T C 1.360 176.183 174.700 0.204 0.000 1.038 341 T CA 1.158 63.324 62.100 0.109 0.000 1.144 341 T CB -0.514 68.406 68.868 0.087 0.000 0.866 341 T HN 0.368 nan 8.240 nan 0.000 0.434 342 Y N 1.821 122.178 120.300 0.095 0.000 2.241 342 Y HA -0.107 4.425 4.550 -0.029 0.000 0.286 342 Y C 2.065 178.170 175.900 0.342 0.000 1.166 342 Y CA 0.507 58.730 58.100 0.205 0.000 1.203 342 Y CB -0.756 37.800 38.460 0.160 0.000 0.977 342 Y HN 0.154 nan 8.280 nan 0.000 0.529 343 L N 0.333 121.720 121.223 0.272 0.000 2.068 343 L HA -0.075 4.228 4.340 -0.061 0.000 0.204 343 L C 2.027 178.852 176.870 -0.076 0.000 1.076 343 L CA 1.940 56.782 54.840 0.003 0.000 0.753 343 L CB -0.713 41.346 42.059 0.001 0.000 0.910 343 L HN 0.166 nan 8.230 nan 0.000 0.439 344 E N -1.058 119.141 120.200 -0.001 0.000 2.285 344 E HA -0.141 4.172 4.350 -0.061 0.000 0.194 344 E C 1.927 178.530 176.600 0.004 0.000 0.997 344 E CA 0.547 56.937 56.400 -0.015 0.000 0.845 344 E CB 0.007 29.708 29.700 0.001 0.000 0.782 344 E HN 0.537 nan 8.360 nan 0.000 0.491 345 Q N -0.291 119.540 119.800 0.051 0.000 2.354 345 Q HA -0.021 4.283 4.340 -0.061 0.000 0.203 345 Q C 1.870 177.908 176.000 0.062 0.000 0.933 345 Q CA 1.318 57.163 55.803 0.071 0.000 0.901 345 Q CB 0.537 29.346 28.738 0.118 0.000 1.007 345 Q HN 0.352 nan 8.270 nan 0.000 0.495 346 T N -3.657 110.914 114.554 0.029 0.000 3.044 346 T HA 0.338 4.651 4.350 -0.061 0.000 0.260 346 T C 0.809 175.441 174.700 -0.114 0.000 1.019 346 T CA 0.090 62.186 62.100 -0.006 0.000 0.921 346 T CB 0.447 69.332 68.868 0.029 0.000 1.053 346 T HN 0.081 nan 8.240 nan 0.000 0.533 347 G N 1.738 110.457 108.800 -0.135 0.000 2.528 347 G HA2 0.459 4.382 3.960 -0.061 0.000 0.289 347 G HA3 0.459 4.382 3.960 -0.061 0.000 0.289 347 G C -0.036 174.815 174.900 -0.082 0.000 1.192 347 G CA -0.465 44.540 45.100 -0.159 0.000 0.921 347 G HN 0.529 nan 8.290 nan 0.000 0.512 348 S N 0.442 116.097 115.700 -0.074 0.000 2.498 348 S HA 0.005 4.438 4.470 -0.061 0.000 0.281 348 S C 1.055 175.652 174.600 -0.005 0.000 1.265 348 S CA -0.526 57.657 58.200 -0.028 0.000 1.071 348 S CB 0.961 64.146 63.200 -0.026 0.000 0.894 348 S HN 0.503 nan 8.310 nan 0.000 0.491 349 N N 2.045 120.753 118.700 0.014 0.000 2.272 349 N HA -0.119 4.584 4.740 -0.061 0.000 0.185 349 N C 1.206 176.725 175.510 0.015 0.000 1.014 349 N CA 1.652 54.709 53.050 0.012 0.000 0.870 349 N CB -0.457 38.043 38.487 0.021 0.000 0.975 349 N HN 0.926 nan 8.380 nan 0.000 0.433 350 H N -0.714 118.339 119.070 -0.028 0.000 2.348 350 H HA 0.286 4.805 4.556 -0.061 0.000 0.313 350 H C 1.265 176.572 175.328 -0.035 0.000 1.051 350 H CA 0.869 56.901 56.048 -0.028 0.000 1.420 350 H CB 0.173 29.920 29.762 -0.026 0.000 1.484 350 H HN 0.046 nan 8.280 nan 0.000 0.609 351 R N 0.869 121.469 120.500 0.166 0.000 4.559 351 R HA 0.329 4.632 4.340 -0.061 0.000 0.177 351 R C 0.262 176.565 176.300 0.004 0.000 1.875 351 R CA 0.351 56.490 56.100 0.065 0.000 1.509 351 R CB -2.458 27.844 30.300 0.004 0.000 1.395 351 R HN 0.629 nan 8.270 nan 0.000 0.830 352 C N 3.512 122.810 119.300 -0.003 0.000 2.638 352 C HA 0.479 4.903 4.460 -0.061 0.000 0.410 352 C C -0.961 174.007 174.990 -0.037 0.000 1.404 352 C CA -1.155 57.843 59.018 -0.033 0.000 1.651 352 C CB 0.010 27.727 27.740 -0.038 0.000 2.495 352 C HN 0.688 nan 8.230 nan 0.000 0.606 353 P HA 0.330 nan 4.420 nan 0.000 0.282 353 P C -0.387 176.879 177.300 -0.056 0.000 1.262 353 P CA 0.365 63.426 63.100 -0.065 0.000 0.773 353 P CB 0.715 32.342 31.700 -0.121 0.000 0.879 354 T N 4.268 118.809 114.554 -0.022 0.000 2.733 354 T HA 0.224 4.537 4.350 -0.061 0.000 0.294 354 T C 0.288 174.940 174.700 -0.081 0.000 0.956 354 T CA -0.420 61.654 62.100 -0.043 0.000 0.987 354 T CB 0.351 69.203 68.868 -0.025 0.000 0.920 354 T HN 0.241 nan 8.240 nan 0.000 0.470 355 L N 4.340 125.504 121.223 -0.098 0.000 2.410 355 L HA 0.187 4.490 4.340 -0.061 0.000 0.273 355 L C 1.029 177.782 176.870 -0.196 0.000 1.144 355 L CA 0.690 55.459 54.840 -0.118 0.000 0.863 355 L CB 0.488 42.480 42.059 -0.111 0.000 1.140 355 L HN 0.571 nan 8.230 nan 0.000 0.463 356 Q N 3.755 123.399 119.800 -0.261 0.000 2.581 356 Q HA 0.289 4.593 4.340 -0.061 0.000 0.222 356 Q C -0.151 175.413 176.000 -0.727 0.000 0.904 356 Q CA 0.728 56.213 55.803 -0.530 0.000 0.923 356 Q CB 0.548 28.932 28.738 -0.591 0.000 1.117 356 Q HN 0.671 nan 8.270 nan 0.000 0.618 357 H N -0.889 118.098 119.070 -0.137 0.000 2.980 357 H HA 0.561 5.079 4.556 -0.063 0.000 0.367 357 H C -0.632 174.527 175.328 -0.281 0.000 1.206 357 H CA -0.667 55.196 56.048 -0.308 0.000 1.126 357 H CB 2.141 31.493 29.762 -0.683 0.000 1.838 357 H HN -0.037 nan 8.280 nan 0.000 0.552 358 I N 1.469 121.918 120.570 -0.201 0.000 2.512 358 I HA 0.138 4.272 4.170 -0.061 0.000 0.287 358 I C -0.754 175.308 176.117 -0.092 0.000 1.069 358 I CA -0.525 60.735 61.300 -0.067 0.000 1.056 358 I CB 2.111 40.054 38.000 -0.095 0.000 1.229 358 I HN 0.212 nan 8.210 nan 0.000 0.429 359 W N 4.865 126.285 121.300 0.201 0.000 2.469 359 W HA 0.380 5.003 4.660 -0.061 0.000 0.320 359 W C 0.141 176.806 176.519 0.244 0.000 1.086 359 W CA -0.814 56.643 57.345 0.188 0.000 1.211 359 W CB 1.912 31.454 29.460 0.137 0.000 1.298 359 W HN 0.343 nan 8.180 nan 0.000 0.525 360 K N 2.424 123.074 120.400 0.415 0.000 2.284 360 K HA 0.316 4.599 4.320 -0.061 0.000 0.287 360 K C -0.683 176.021 176.600 0.173 0.000 1.081 360 K CA -0.183 56.269 56.287 0.274 0.000 0.910 360 K CB 0.607 33.237 32.500 0.218 0.000 1.088 360 K HN 0.193 nan 8.250 nan 0.000 0.478 361 V N 4.896 124.850 119.914 0.067 0.000 2.368 361 V HA 0.073 4.156 4.120 -0.061 0.000 0.266 361 V C 0.084 176.161 176.094 -0.028 0.000 1.045 361 V CA -0.671 61.665 62.300 0.060 0.000 0.899 361 V CB 0.719 32.602 31.823 0.101 0.000 1.006 361 V HN 0.702 nan 8.190 nan 0.000 0.470 362 N N 3.904 122.605 118.700 0.002 0.000 3.114 362 N HA 0.140 4.843 4.740 -0.061 0.000 0.289 362 N C 0.028 175.518 175.510 -0.032 0.000 1.519 362 N CA -0.557 52.477 53.050 -0.027 0.000 1.026 362 N CB 0.656 39.143 38.487 -0.001 0.000 1.306 362 N HN 0.703 nan 8.380 nan 0.000 0.495 363 Q N 1.481 121.250 119.800 -0.052 0.000 2.283 363 Q HA 0.022 4.326 4.340 -0.061 0.000 0.269 363 Q C -0.553 175.416 176.000 -0.052 0.000 1.187 363 Q CA 0.317 56.086 55.803 -0.058 0.000 0.922 363 Q CB 0.124 28.817 28.738 -0.076 0.000 1.323 363 Q HN 0.215 nan 8.270 nan 0.000 0.432 364 E N 3.213 123.388 120.200 -0.042 0.000 2.351 364 E HA 0.284 4.597 4.350 -0.061 0.000 0.266 364 E C 0.651 177.235 176.600 -0.027 0.000 1.031 364 E CA 0.974 57.356 56.400 -0.030 0.000 0.911 364 E CB 0.761 30.446 29.700 -0.025 0.000 0.986 364 E HN 0.907 nan 8.360 nan 0.000 0.446 365 G N 3.771 112.561 108.800 -0.017 0.000 2.229 365 G HA2 -0.221 3.702 3.960 -0.061 0.000 0.189 365 G HA3 -0.221 3.702 3.960 -0.061 0.000 0.189 365 G C 0.783 175.682 174.900 -0.002 0.000 1.000 365 G CA 0.054 45.149 45.100 -0.009 0.000 0.663 365 G HN 0.507 nan 8.290 nan 0.000 0.493 366 E N -0.249 119.944 120.200 -0.013 0.000 2.431 366 E HA 0.129 4.442 4.350 -0.061 0.000 0.200 366 E C 1.852 178.474 176.600 0.035 0.000 0.995 366 E CA 0.311 56.706 56.400 -0.008 0.000 0.915 366 E CB 0.344 29.999 29.700 -0.075 0.000 0.930 366 E HN 0.597 nan 8.360 nan 0.000 0.496 367 E N 1.264 121.481 120.200 0.029 0.000 2.028 367 E HA -0.181 4.132 4.350 -0.061 0.000 0.190 367 E C 1.245 177.912 176.600 0.111 0.000 0.984 367 E CA 0.972 57.418 56.400 0.076 0.000 0.800 367 E CB 0.222 29.944 29.700 0.038 0.000 0.758 367 E HN 0.088 nan 8.360 nan 0.000 0.448 368 D N 0.673 121.111 120.400 0.062 0.000 2.126 368 D HA -0.235 4.368 4.640 -0.061 0.000 0.190 368 D C 2.187 178.518 176.300 0.052 0.000 1.001 368 D CA 1.903 55.929 54.000 0.045 0.000 0.841 368 D CB -0.360 40.454 40.800 0.023 0.000 0.949 368 D HN 0.372 nan 8.370 nan 0.000 0.446 369 R N -0.291 120.253 120.500 0.072 0.000 2.148 369 R HA -0.052 4.251 4.340 -0.061 0.000 0.223 369 R C 2.211 178.586 176.300 0.124 0.000 1.088 369 R CA 0.757 56.901 56.100 0.073 0.000 0.985 369 R CB -0.833 29.516 30.300 0.082 0.000 0.880 369 R HN 0.105 nan 8.270 nan 0.000 0.451 370 F N 2.149 122.112 119.950 0.022 0.000 2.558 370 F HA 0.061 4.550 4.527 -0.063 0.000 0.298 370 F C 1.669 177.490 175.800 0.035 0.000 1.119 370 F CA 0.846 58.882 58.000 0.059 0.000 1.451 370 F CB 0.209 39.227 39.000 0.029 0.000 1.091 370 F HN -0.037 nan 8.300 nan 0.000 0.563 371 Q N 0.059 119.878 119.800 0.031 0.000 2.436 371 Q HA 0.005 4.308 4.340 -0.061 0.000 0.209 371 Q C 2.384 178.295 176.000 -0.148 0.000 0.965 371 Q CA 0.872 56.644 55.803 -0.051 0.000 0.910 371 Q CB -0.767 27.968 28.738 -0.004 0.000 0.980 371 Q HN 0.498 nan 8.270 nan 0.000 0.491 372 A N 0.931 123.621 122.820 -0.217 0.000 1.877 372 A HA -0.158 4.126 4.320 -0.061 0.000 0.216 372 A C 1.399 178.720 177.584 -0.438 0.000 1.186 372 A CA 1.087 52.915 52.037 -0.348 0.000 0.620 372 A CB -0.554 18.161 19.000 -0.476 0.000 0.822 372 A HN 0.380 nan 8.150 nan 0.000 0.443 373 H N 0.425 119.333 119.070 -0.271 0.000 2.567 373 H HA 0.121 4.640 4.556 -0.061 0.000 0.294 373 H C 1.890 177.024 175.328 -0.324 0.000 1.050 373 H CA 0.717 56.587 56.048 -0.297 0.000 1.168 373 H CB -0.174 29.366 29.762 -0.369 0.000 1.422 373 H HN 0.687 nan 8.280 nan 0.000 0.562 374 S N 0.108 115.688 115.700 -0.200 0.000 2.423 374 S HA -0.130 4.303 4.470 -0.061 0.000 0.231 374 S C 2.225 176.775 174.600 -0.085 0.000 1.014 374 S CA 0.968 59.083 58.200 -0.142 0.000 0.965 374 S CB -0.132 63.010 63.200 -0.096 0.000 0.785 374 S HN 0.490 nan 8.310 nan 0.000 0.495 375 K N 0.462 120.815 120.400 -0.078 0.000 2.418 375 K HA 0.432 4.715 4.320 -0.061 0.000 0.195 375 K C 0.631 177.209 176.600 -0.037 0.000 1.035 375 K CA 0.522 56.778 56.287 -0.051 0.000 1.003 375 K CB -0.690 31.779 32.500 -0.051 0.000 0.793 375 K HN 0.440 nan 8.250 nan 0.000 0.494 376 L N 1.445 122.645 121.223 -0.038 0.000 2.260 376 L HA 0.573 4.876 4.340 -0.061 0.000 0.289 376 L C 0.902 177.754 176.870 -0.030 0.000 1.057 376 L CA -0.800 54.028 54.840 -0.021 0.000 0.811 376 L CB 0.831 42.894 42.059 0.006 0.000 1.184 376 L HN 0.263 nan 8.230 nan 0.000 0.429 377 G N 3.058 111.849 108.800 -0.015 0.000 2.546 377 G HA2 0.101 4.024 3.960 -0.061 0.000 0.239 377 G HA3 0.101 4.024 3.960 -0.061 0.000 0.239 377 G C -0.089 174.811 174.900 -0.002 0.000 1.476 377 G CA -0.288 44.807 45.100 -0.008 0.000 1.064 377 G HN 0.884 nan 8.290 nan 0.000 0.561 378 N N -0.659 118.045 118.700 0.007 0.000 2.608 378 N HA -0.165 4.538 4.740 -0.061 0.000 0.273 378 N C -0.324 175.188 175.510 0.003 0.000 1.133 378 N CA 0.491 53.551 53.050 0.016 0.000 0.726 378 N CB -0.754 37.755 38.487 0.036 0.000 0.890 378 N HN 0.627 nan 8.380 nan 0.000 0.548 379 R N 1.428 121.924 120.500 -0.006 0.000 2.514 379 R HA 0.520 4.824 4.340 -0.061 0.000 0.301 379 R C -0.055 176.212 176.300 -0.055 0.000 0.962 379 R CA -0.807 55.282 56.100 -0.018 0.000 0.882 379 R CB 1.842 32.150 30.300 0.014 0.000 1.143 379 R HN 0.334 nan 8.270 nan 0.000 0.452 380 K N 2.786 123.124 120.400 -0.105 0.000 2.482 380 K HA 0.251 4.534 4.320 -0.061 0.000 0.251 380 K C -1.372 175.095 176.600 -0.221 0.000 0.936 380 K CA -0.898 55.288 56.287 -0.169 0.000 0.791 380 K CB 1.503 33.883 32.500 -0.200 0.000 1.213 380 K HN 0.291 nan 8.250 nan 0.000 0.428 381 L N 5.876 126.964 121.223 -0.226 0.000 2.407 381 L HA 0.318 4.622 4.340 -0.061 0.000 0.282 381 L C -1.188 175.549 176.870 -0.221 0.000 1.110 381 L CA 0.316 55.029 54.840 -0.211 0.000 0.863 381 L CB 0.038 41.979 42.059 -0.197 0.000 1.207 381 L HN 0.555 nan 8.230 nan 0.000 0.454 382 L N 3.614 124.716 121.223 -0.201 0.000 2.322 382 L HA 0.493 4.796 4.340 -0.061 0.000 0.269 382 L C -0.765 176.141 176.870 0.060 0.000 1.012 382 L CA -0.801 53.973 54.840 -0.110 0.000 0.815 382 L CB 1.463 43.403 42.059 -0.198 0.000 1.295 382 L HN 0.495 nan 8.230 nan 0.000 0.438 383 W N -0.323 121.140 121.300 0.273 0.000 2.313 383 W HA 0.380 5.014 4.660 -0.042 0.000 0.328 383 W C -0.151 176.568 176.519 0.334 0.000 1.197 383 W CA 0.063 57.551 57.345 0.239 0.000 1.235 383 W CB 0.584 30.078 29.460 0.056 0.000 1.158 383 W HN 0.378 nan 8.180 nan 0.000 0.578 384 H N 0.658 120.008 119.070 0.465 0.000 3.177 384 H HA 0.377 4.895 4.556 -0.064 0.000 0.314 384 H C 0.037 175.522 175.328 0.262 0.000 1.059 384 H CA -0.520 55.657 56.048 0.215 0.000 1.515 384 H CB 0.379 30.161 29.762 0.033 0.000 1.672 384 H HN 0.543 nan 8.280 nan 0.000 0.514 385 G N 2.997 111.800 108.800 0.006 0.000 2.364 385 G HA2 0.401 4.325 3.960 -0.061 0.000 0.267 385 G HA3 0.401 4.325 3.960 -0.061 0.000 0.267 385 G C -0.446 174.503 174.900 0.082 0.000 1.233 385 G CA -0.087 45.072 45.100 0.099 0.000 0.885 385 G HN 0.543 nan 8.290 nan 0.000 0.490 386 T N 1.118 115.814 114.554 0.237 0.000 2.906 386 T HA 0.435 4.748 4.350 -0.061 0.000 0.295 386 T C -0.033 174.794 174.700 0.212 0.000 1.061 386 T CA -1.024 61.231 62.100 0.260 0.000 1.000 386 T CB 1.052 70.176 68.868 0.426 0.000 1.103 386 T HN 0.698 nan 8.240 nan 0.000 0.486 387 N N 4.201 123.008 118.700 0.179 0.000 2.530 387 N HA 0.106 4.809 4.740 -0.061 0.000 0.277 387 N C 1.225 176.822 175.510 0.145 0.000 1.168 387 N CA -0.560 52.576 53.050 0.143 0.000 0.979 387 N CB 0.999 39.555 38.487 0.115 0.000 1.141 387 N HN 0.798 nan 8.380 nan 0.000 0.459 388 M N 1.462 121.132 119.600 0.118 0.000 2.337 388 M HA -0.177 4.266 4.480 -0.061 0.000 0.261 388 M C 1.669 177.985 176.300 0.027 0.000 1.067 388 M CA 1.552 56.912 55.300 0.099 0.000 1.074 388 M CB -0.149 32.489 32.600 0.064 0.000 1.395 388 M HN 0.816 nan 8.290 nan 0.000 0.431 389 A N -0.636 122.227 122.820 0.072 0.000 2.014 389 A HA -0.054 4.230 4.320 -0.061 0.000 0.218 389 A C 1.676 179.400 177.584 0.232 0.000 1.163 389 A CA 1.495 53.635 52.037 0.171 0.000 0.652 389 A CB -0.615 18.513 19.000 0.213 0.000 0.808 389 A HN 0.560 nan 8.150 nan 0.000 0.449 390 V N -3.821 116.183 119.914 0.151 0.000 3.427 390 V HA 0.192 4.275 4.120 -0.061 0.000 0.305 390 V C 1.553 177.706 176.094 0.097 0.000 1.412 390 V CA 0.525 62.897 62.300 0.121 0.000 1.086 390 V CB -0.287 31.603 31.823 0.112 0.000 0.964 390 V HN 0.061 nan 8.190 nan 0.000 0.439 391 V N 1.510 121.482 119.914 0.097 0.000 2.343 391 V HA -0.159 3.924 4.120 -0.061 0.000 0.247 391 V C 3.091 179.189 176.094 0.006 0.000 1.051 391 V CA 2.526 64.897 62.300 0.119 0.000 1.036 391 V CB -0.950 30.874 31.823 0.001 0.000 0.654 391 V HN 0.676 nan 8.190 nan 0.000 0.451 392 A N 0.071 122.814 122.820 -0.128 0.000 1.877 392 A HA -0.111 4.172 4.320 -0.061 0.000 0.216 392 A C 2.444 179.980 177.584 -0.080 0.000 1.186 392 A CA 2.057 53.960 52.037 -0.222 0.000 0.620 392 A CB -0.832 17.864 19.000 -0.505 0.000 0.822 392 A HN 0.562 nan 8.150 nan 0.000 0.443 393 A N -0.055 122.743 122.820 -0.036 0.000 1.908 393 A HA -0.105 4.178 4.320 -0.061 0.000 0.218 393 A C 2.110 179.660 177.584 -0.057 0.000 1.181 393 A CA 1.586 53.609 52.037 -0.023 0.000 0.627 393 A CB -0.627 18.372 19.000 -0.001 0.000 0.818 393 A HN 0.516 nan 8.150 nan 0.000 0.445 394 I N -0.506 120.016 120.570 -0.081 0.000 2.315 394 I HA -0.210 3.924 4.170 -0.061 0.000 0.248 394 I C 2.067 178.061 176.117 -0.205 0.000 1.117 394 I CA 0.955 62.132 61.300 -0.205 0.000 1.404 394 I CB -0.261 37.516 38.000 -0.371 0.000 1.071 394 I HN 0.265 nan 8.210 nan 0.000 0.419 395 L N -0.016 121.151 121.223 -0.094 0.000 2.465 395 L HA -0.102 4.201 4.340 -0.061 0.000 0.224 395 L C 2.090 178.925 176.870 -0.059 0.000 1.145 395 L CA 0.966 55.775 54.840 -0.051 0.000 0.834 395 L CB -0.504 41.555 42.059 -0.001 0.000 0.944 395 L HN 0.273 nan 8.230 nan 0.000 0.451 396 T N -2.704 111.818 114.554 -0.055 0.000 3.034 396 T HA 0.045 4.358 4.350 -0.061 0.000 0.248 396 T C 1.700 176.371 174.700 -0.048 0.000 1.040 396 T CA 0.648 62.726 62.100 -0.037 0.000 1.107 396 T CB 0.447 69.313 68.868 -0.004 0.000 0.932 396 T HN 0.135 nan 8.240 nan 0.000 0.474 397 S N -0.138 115.524 115.700 -0.063 0.000 2.632 397 S HA 0.541 4.974 4.470 -0.061 0.000 0.237 397 S C 0.994 175.541 174.600 -0.087 0.000 1.037 397 S CA 0.013 58.177 58.200 -0.060 0.000 1.009 397 S CB 0.915 64.089 63.200 -0.045 0.000 0.974 397 S HN 0.792 nan 8.310 nan 0.000 0.544 398 G N 1.941 110.660 108.800 -0.135 0.000 2.741 398 G HA2 -0.215 3.708 3.960 -0.061 0.000 0.222 398 G HA3 -0.215 3.708 3.960 -0.061 0.000 0.222 398 G C -0.663 174.109 174.900 -0.212 0.000 1.364 398 G CA -0.842 44.146 45.100 -0.187 0.000 0.866 398 G HN 0.349 nan 8.290 nan 0.000 0.555 399 L N 0.529 121.609 121.223 -0.238 0.000 2.360 399 L HA 0.515 4.818 4.340 -0.061 0.000 0.276 399 L C 1.162 177.955 176.870 -0.129 0.000 1.121 399 L CA -0.099 54.592 54.840 -0.247 0.000 0.845 399 L CB 0.647 42.516 42.059 -0.316 0.000 1.143 399 L HN 0.561 nan 8.230 nan 0.000 0.452 400 R N 3.519 123.958 120.500 -0.102 0.000 2.832 400 R HA 0.610 4.913 4.340 -0.061 0.000 0.271 400 R C -0.786 175.499 176.300 -0.026 0.000 0.996 400 R CA -0.746 55.325 56.100 -0.048 0.000 0.977 400 R CB 2.193 32.471 30.300 -0.036 0.000 1.168 400 R HN 0.499 nan 8.270 nan 0.000 0.482 401 I N 3.542 124.107 120.570 -0.008 0.000 2.313 401 I HA 0.196 4.329 4.170 -0.061 0.000 0.286 401 I C -0.213 175.905 176.117 0.002 0.000 1.091 401 I CA -0.400 60.904 61.300 0.007 0.000 1.216 401 I CB 0.586 38.596 38.000 0.018 0.000 1.434 401 I HN 0.326 nan 8.210 nan 0.000 0.487 402 M N 6.329 125.932 119.600 0.006 0.000 2.228 402 M HA 0.354 4.797 4.480 -0.061 0.000 0.326 402 M C -2.288 173.981 176.300 -0.052 0.000 1.122 402 M CA -2.444 52.847 55.300 -0.015 0.000 1.161 402 M CB -0.468 32.141 32.600 0.015 0.000 1.437 402 M HN 0.046 nan 8.290 nan 0.000 0.465 403 P HA 0.149 nan 4.420 nan 0.000 0.271 403 P C -0.613 176.518 177.300 -0.282 0.000 1.218 403 P CA 0.445 63.362 63.100 -0.305 0.000 0.780 403 P CB 0.220 31.656 31.700 -0.441 0.000 0.901 404 H N -1.986 117.021 119.070 -0.106 0.000 3.641 404 H HA -0.161 4.359 4.556 -0.061 0.000 0.193 404 H C 0.209 175.562 175.328 0.041 0.000 1.013 404 H CA 1.036 57.062 56.048 -0.037 0.000 1.212 404 H CB -2.191 27.519 29.762 -0.087 0.000 1.089 404 H HN 0.483 nan 8.280 nan 0.000 0.339 405 S N 0.319 116.080 115.700 0.102 0.000 2.565 405 S HA 0.674 5.107 4.470 -0.061 0.000 0.274 405 S C 0.891 175.564 174.600 0.121 0.000 1.309 405 S CA 0.135 58.404 58.200 0.115 0.000 1.043 405 S CB 2.563 65.819 63.200 0.093 0.000 0.939 405 S HN 0.705 nan 8.310 nan 0.000 0.504 406 G N 0.388 109.265 108.800 0.127 0.000 2.815 406 G HA2 0.870 4.793 3.960 -0.061 0.000 0.305 406 G HA3 0.870 4.793 3.960 -0.061 0.000 0.305 406 G C -0.225 174.752 174.900 0.128 0.000 1.277 406 G CA -0.396 44.794 45.100 0.150 0.000 0.795 406 G HN 1.721 nan 8.290 nan 0.000 0.528 407 G N -1.705 107.180 108.800 0.142 0.000 2.345 407 G HA2 0.274 4.197 3.960 -0.061 0.000 0.285 407 G HA3 0.274 4.197 3.960 -0.061 0.000 0.285 407 G C 0.161 175.193 174.900 0.220 0.000 1.297 407 G CA -0.074 45.066 45.100 0.067 0.000 0.875 407 G HN 0.622 nan 8.290 nan 0.000 0.506 408 R N -0.989 119.668 120.500 0.262 0.000 2.189 408 R HA 0.109 4.412 4.340 -0.061 0.000 0.218 408 R C 1.281 177.832 176.300 0.418 0.000 1.074 408 R CA 1.467 57.766 56.100 0.331 0.000 0.991 408 R CB -0.030 30.512 30.300 0.404 0.000 0.883 408 R HN 0.239 nan 8.270 nan 0.000 0.457 409 V N -0.365 119.842 119.914 0.489 0.000 3.070 409 V HA 0.351 4.434 4.120 -0.061 0.000 0.345 409 V C 0.634 176.901 176.094 0.288 0.000 1.403 409 V CA 0.148 62.628 62.300 0.301 0.000 1.155 409 V CB 0.083 31.961 31.823 0.091 0.000 1.140 409 V HN 0.588 nan 8.190 nan 0.000 0.505 410 G N 1.313 110.317 108.800 0.340 0.000 2.545 410 G HA2 -0.233 3.690 3.960 -0.061 0.000 0.216 410 G HA3 -0.233 3.690 3.960 -0.061 0.000 0.216 410 G C -0.156 174.933 174.900 0.314 0.000 1.314 410 G CA -0.050 45.228 45.100 0.297 0.000 0.906 410 G HN 0.397 nan 8.290 nan 0.000 0.563 411 K N 1.102 121.675 120.400 0.289 0.000 2.229 411 K HA 0.556 4.839 4.320 -0.061 0.000 0.247 411 K C 0.641 177.347 176.600 0.177 0.000 1.117 411 K CA 0.459 56.876 56.287 0.217 0.000 1.036 411 K CB -0.461 32.131 32.500 0.152 0.000 1.654 411 K HN 1.162 nan 8.250 nan 0.000 0.405 412 G N 2.007 110.794 108.800 -0.022 0.000 2.911 412 G HA2 0.417 4.341 3.960 -0.061 0.000 0.299 412 G HA3 0.417 4.341 3.960 -0.061 0.000 0.299 412 G C -1.169 173.606 174.900 -0.208 0.000 1.283 412 G CA -0.848 44.063 45.100 -0.315 0.000 0.805 412 G HN 0.319 nan 8.290 nan 0.000 0.548 413 I N 0.953 121.363 120.570 -0.267 0.000 2.312 413 I HA 0.306 4.440 4.170 -0.061 0.000 0.290 413 I C -0.992 175.024 176.117 -0.169 0.000 1.008 413 I CA -0.524 60.707 61.300 -0.115 0.000 1.226 413 I CB 1.097 39.094 38.000 -0.004 0.000 1.371 413 I HN 0.298 nan 8.210 nan 0.000 0.468 414 Y N 5.885 126.061 120.300 -0.207 0.000 2.316 414 Y HA 0.480 4.993 4.550 -0.063 0.000 0.331 414 Y C -0.169 175.532 175.900 -0.332 0.000 1.083 414 Y CA 0.069 58.066 58.100 -0.171 0.000 1.206 414 Y CB 0.908 39.245 38.460 -0.206 0.000 1.195 414 Y HN 0.362 nan 8.280 nan 0.000 0.497 415 F N 0.649 120.718 119.950 0.198 0.000 2.664 415 F HA 0.848 5.340 4.527 -0.059 0.000 0.329 415 F C -0.431 175.502 175.800 0.223 0.000 1.090 415 F CA -1.196 56.925 58.000 0.203 0.000 0.978 415 F CB 1.752 40.831 39.000 0.130 0.000 1.378 415 F HN 0.390 nan 8.300 nan 0.000 0.495 416 A N -0.180 122.901 122.820 0.435 0.000 2.520 416 A HA 0.529 4.812 4.320 -0.061 0.000 0.298 416 A C -0.054 177.736 177.584 0.343 0.000 1.051 416 A CA -0.050 52.213 52.037 0.376 0.000 0.690 416 A CB 1.234 20.411 19.000 0.296 0.000 1.281 416 A HN 0.847 nan 8.150 nan 0.000 0.402 417 S N 0.536 116.412 115.700 0.294 0.000 2.528 417 S HA 0.108 4.541 4.470 -0.061 0.000 0.219 417 S C 0.173 175.031 174.600 0.430 0.000 0.985 417 S CA 0.554 58.933 58.200 0.298 0.000 0.914 417 S CB -0.126 63.211 63.200 0.228 0.000 0.776 417 S HN 0.677 nan 8.310 nan 0.000 0.526 418 E N 1.904 122.287 120.200 0.305 0.000 2.129 418 E HA 0.275 4.589 4.350 -0.061 0.000 0.268 418 E C 0.262 176.797 176.600 -0.109 0.000 0.900 418 E CA -0.474 56.002 56.400 0.127 0.000 0.755 418 E CB 0.989 30.748 29.700 0.099 0.000 1.117 418 E HN 0.236 nan 8.360 nan 0.000 0.410 419 N N 2.392 120.764 118.700 -0.547 0.000 2.137 419 N HA -0.218 4.486 4.740 -0.061 0.000 0.190 419 N C 1.544 176.771 175.510 -0.471 0.000 1.017 419 N CA 1.957 54.375 53.050 -1.053 0.000 0.859 419 N CB 0.195 37.886 38.487 -1.327 0.000 1.002 419 N HN 0.436 nan 8.380 nan 0.000 0.428 420 S N 0.433 115.971 115.700 -0.269 0.000 2.383 420 S HA -0.169 4.264 4.470 -0.061 0.000 0.229 420 S C 1.914 176.468 174.600 -0.075 0.000 1.030 420 S CA 1.214 59.325 58.200 -0.148 0.000 1.002 420 S CB -0.315 62.834 63.200 -0.085 0.000 0.829 420 S HN 0.275 nan 8.310 nan 0.000 0.467 421 K N 1.753 122.140 120.400 -0.022 0.000 2.057 421 K HA 0.115 4.398 4.320 -0.061 0.000 0.206 421 K C 2.182 178.867 176.600 0.142 0.000 1.050 421 K CA 1.710 58.042 56.287 0.074 0.000 0.935 421 K CB -0.762 31.815 32.500 0.128 0.000 0.715 421 K HN 0.362 nan 8.250 nan 0.000 0.439 422 S N 0.136 115.881 115.700 0.076 0.000 2.387 422 S HA 0.029 4.462 4.470 -0.061 0.000 0.226 422 S C 1.953 176.615 174.600 0.103 0.000 1.026 422 S CA 0.795 59.065 58.200 0.117 0.000 0.972 422 S CB -0.299 62.957 63.200 0.093 0.000 0.814 422 S HN 0.503 nan 8.310 nan 0.000 0.477 423 A N 1.440 124.238 122.820 -0.037 0.000 2.024 423 A HA 0.033 4.316 4.320 -0.061 0.000 0.220 423 A C 2.172 179.734 177.584 -0.036 0.000 1.164 423 A CA 1.553 53.554 52.037 -0.060 0.000 0.643 423 A CB -1.155 17.763 19.000 -0.136 0.000 0.806 423 A HN 0.517 nan 8.150 nan 0.000 0.451 424 G N -2.589 106.182 108.800 -0.049 0.000 2.625 424 G HA2 -0.057 3.866 3.960 -0.061 0.000 0.214 424 G HA3 -0.057 3.866 3.960 -0.061 0.000 0.214 424 G C 1.041 175.756 174.900 -0.308 0.000 1.132 424 G CA 0.912 45.902 45.100 -0.184 0.000 0.782 424 G HN 0.633 nan 8.290 nan 0.000 0.538 425 Y N -0.681 119.587 120.300 -0.054 0.000 2.444 425 Y HA 0.297 4.809 4.550 -0.062 0.000 0.249 425 Y C 0.902 176.793 175.900 -0.016 0.000 1.134 425 Y CA -0.547 57.525 58.100 -0.047 0.000 1.261 425 Y CB 0.946 39.353 38.460 -0.087 0.000 1.143 425 Y HN -0.087 nan 8.280 nan 0.000 0.523 426 V N 2.752 122.728 119.914 0.104 0.000 2.352 426 V HA 0.200 4.283 4.120 -0.061 0.000 0.253 426 V C 0.452 176.586 176.094 0.065 0.000 1.083 426 V CA -0.428 61.924 62.300 0.087 0.000 0.993 426 V CB -0.740 31.116 31.823 0.054 0.000 1.111 426 V HN 0.133 nan 8.190 nan 0.000 0.490 427 I N 3.772 124.391 120.570 0.082 0.000 2.297 427 I HA 0.911 5.044 4.170 -0.061 0.000 0.291 427 I C 0.828 176.990 176.117 0.075 0.000 1.033 427 I CA 0.001 61.350 61.300 0.080 0.000 1.253 427 I CB 0.750 38.791 38.000 0.067 0.000 1.396 427 I HN 0.702 nan 8.210 nan 0.000 0.476 428 G N 5.290 114.151 108.800 0.101 0.000 2.644 428 G HA2 0.790 4.713 3.960 -0.061 0.000 0.307 428 G HA3 0.790 4.713 3.960 -0.061 0.000 0.307 428 G C -0.380 174.382 174.900 -0.231 0.000 1.250 428 G CA -0.692 44.385 45.100 -0.039 0.000 0.996 428 G HN 0.634 nan 8.290 nan 0.000 0.489 429 M N -0.137 119.270 119.600 -0.322 0.000 2.705 429 M HA 0.446 4.890 4.480 -0.061 0.000 0.311 429 M C 0.013 176.030 176.300 -0.472 0.000 1.214 429 M CA -0.833 54.262 55.300 -0.342 0.000 0.920 429 M CB 1.712 34.204 32.600 -0.180 0.000 1.687 429 M HN 0.378 nan 8.290 nan 0.000 0.481 430 K N 0.223 120.418 120.400 -0.341 0.000 2.258 430 K HA 0.357 4.640 4.320 -0.061 0.000 0.264 430 K C -0.692 175.818 176.600 -0.151 0.000 1.007 430 K CA -0.143 55.998 56.287 -0.244 0.000 0.941 430 K CB 0.550 32.973 32.500 -0.128 0.000 0.966 430 K HN 0.645 nan 8.250 nan 0.000 0.480 431 C N 2.280 121.519 119.300 -0.101 0.000 3.493 431 C HA 0.322 4.745 4.460 -0.061 0.000 0.228 431 C C 1.076 176.069 174.990 0.005 0.000 1.227 431 C CA -0.228 58.765 59.018 -0.041 0.000 1.291 431 C CB -0.427 27.290 27.740 -0.039 0.000 1.820 431 C HN 1.174 nan 8.230 nan 0.000 0.547 432 G N 1.836 110.632 108.800 -0.007 0.000 2.990 432 G HA2 -0.165 3.758 3.960 -0.061 0.000 0.225 432 G HA3 -0.165 3.758 3.960 -0.061 0.000 0.225 432 G C 0.749 175.636 174.900 -0.022 0.000 1.304 432 G CA 1.048 46.150 45.100 0.002 0.000 0.816 432 G HN 1.644 nan 8.290 nan 0.000 0.528 433 A N -2.336 120.459 122.820 -0.040 0.000 2.458 433 A HA 0.429 4.713 4.320 -0.061 0.000 0.152 433 A C 0.509 177.982 177.584 -0.184 0.000 1.790 433 A CA 0.772 52.737 52.037 -0.120 0.000 1.327 433 A CB 0.111 19.007 19.000 -0.173 0.000 1.572 433 A HN 0.620 nan 8.150 nan 0.000 0.416 434 H N -0.065 118.977 119.070 -0.047 0.000 2.499 434 H HA 0.367 4.887 4.556 -0.060 0.000 0.352 434 H C -0.866 174.356 175.328 -0.177 0.000 1.237 434 H CA 0.156 56.131 56.048 -0.122 0.000 1.343 434 H CB 0.659 30.264 29.762 -0.263 0.000 1.578 434 H HN 0.327 nan 8.280 nan 0.000 0.577 435 H N 1.700 120.683 119.070 -0.145 0.000 2.632 435 H HA 0.197 4.715 4.556 -0.062 0.000 0.258 435 H C -0.841 174.330 175.328 -0.261 0.000 1.278 435 H CA -0.414 55.537 56.048 -0.162 0.000 1.352 435 H CB -0.005 29.699 29.762 -0.096 0.000 1.418 435 H HN 0.185 nan 8.280 nan 0.000 0.513 436 V N 3.436 123.145 119.914 -0.342 0.000 2.637 436 V HA 0.380 4.463 4.120 -0.061 0.000 0.296 436 V C 1.000 176.920 176.094 -0.291 0.000 1.046 436 V CA 0.250 62.341 62.300 -0.349 0.000 1.066 436 V CB 1.245 32.886 31.823 -0.303 0.000 0.968 436 V HN 0.847 nan 8.190 nan 0.000 0.483 437 G N 3.274 111.859 108.800 -0.358 0.000 2.704 437 G HA2 0.648 4.571 3.960 -0.061 0.000 0.293 437 G HA3 0.648 4.571 3.960 -0.061 0.000 0.293 437 G C -2.140 172.488 174.900 -0.452 0.000 1.421 437 G CA -0.510 44.407 45.100 -0.304 0.000 0.870 437 G HN 0.389 nan 8.290 nan 0.000 0.492 438 Y N -0.013 120.299 120.300 0.020 0.000 2.446 438 Y HA 0.752 5.263 4.550 -0.065 0.000 0.345 438 Y C 0.514 176.386 175.900 -0.045 0.000 0.984 438 Y CA -0.809 57.274 58.100 -0.028 0.000 1.058 438 Y CB 2.477 40.871 38.460 -0.109 0.000 1.220 438 Y HN 0.324 nan 8.280 nan 0.000 0.455 439 M N 2.986 122.644 119.600 0.097 0.000 2.518 439 M HA 0.506 4.949 4.480 -0.061 0.000 0.300 439 M C -1.697 174.637 176.300 0.055 0.000 1.175 439 M CA -0.622 54.764 55.300 0.143 0.000 0.890 439 M CB 2.438 35.173 32.600 0.225 0.000 1.710 439 M HN 0.440 nan 8.290 nan 0.000 0.453 440 F N 1.805 121.978 119.950 0.371 0.000 2.450 440 F HA 0.589 5.076 4.527 -0.066 0.000 0.332 440 F C -0.408 175.583 175.800 0.318 0.000 1.093 440 F CA -0.573 57.612 58.000 0.310 0.000 1.003 440 F CB 1.283 40.413 39.000 0.216 0.000 1.151 440 F HN 0.336 nan 8.300 nan 0.000 0.474 441 L N 2.749 124.215 121.223 0.404 0.000 2.280 441 L HA 0.604 4.907 4.340 -0.061 0.000 0.287 441 L C 0.186 177.168 176.870 0.187 0.000 1.023 441 L CA -0.502 54.449 54.840 0.185 0.000 0.819 441 L CB 1.173 43.285 42.059 0.088 0.000 1.212 441 L HN 0.765 nan 8.230 nan 0.000 0.420 442 G N 1.974 110.864 108.800 0.149 0.000 2.415 442 G HA2 0.332 4.256 3.960 -0.061 0.000 0.327 442 G HA3 0.332 4.256 3.960 -0.061 0.000 0.327 442 G C -0.871 173.944 174.900 -0.142 0.000 1.182 442 G CA -0.387 44.733 45.100 0.033 0.000 0.924 442 G HN 0.604 nan 8.290 nan 0.000 0.470 443 E N 1.701 121.784 120.200 -0.194 0.000 2.129 443 E HA 0.332 4.645 4.350 -0.061 0.000 0.283 443 E C -0.600 175.904 176.600 -0.161 0.000 1.080 443 E CA -0.376 55.915 56.400 -0.182 0.000 0.867 443 E CB 0.742 30.327 29.700 -0.192 0.000 1.056 443 E HN 0.127 nan 8.360 nan 0.000 0.404 444 V N 3.869 123.662 119.914 -0.201 0.000 2.370 444 V HA 0.397 4.481 4.120 -0.061 0.000 0.283 444 V C 0.213 176.262 176.094 -0.074 0.000 1.023 444 V CA -0.835 61.331 62.300 -0.223 0.000 0.857 444 V CB 1.327 32.826 31.823 -0.541 0.000 0.985 444 V HN 0.794 nan 8.190 nan 0.000 0.443 445 A N 5.437 128.248 122.820 -0.014 0.000 2.539 445 A HA 0.491 4.774 4.320 -0.061 0.000 0.306 445 A C 0.932 178.464 177.584 -0.086 0.000 1.392 445 A CA -0.153 51.840 52.037 -0.072 0.000 1.060 445 A CB -0.179 18.703 19.000 -0.196 0.000 1.134 445 A HN 0.922 nan 8.150 nan 0.000 0.542 446 L N 2.783 123.984 121.223 -0.036 0.000 2.162 446 L HA 0.145 4.448 4.340 -0.061 0.000 0.205 446 L C 2.091 178.984 176.870 0.039 0.000 1.086 446 L CA 0.974 55.822 54.840 0.013 0.000 0.778 446 L CB -0.848 41.247 42.059 0.060 0.000 0.928 446 L HN 0.978 nan 8.230 nan 0.000 0.446 447 G N 0.509 109.326 108.800 0.028 0.000 2.611 447 G HA2 -0.403 3.520 3.960 -0.061 0.000 0.301 447 G HA3 -0.403 3.520 3.960 -0.061 0.000 0.301 447 G C 0.231 175.181 174.900 0.083 0.000 1.233 447 G CA 0.375 45.499 45.100 0.040 0.000 0.993 447 G HN 0.360 nan 8.290 nan 0.000 0.553 448 R N 1.939 122.499 120.500 0.100 0.000 2.248 448 R HA 0.408 4.711 4.340 -0.061 0.000 0.328 448 R C -0.122 176.373 176.300 0.326 0.000 1.067 448 R CA 0.080 56.280 56.100 0.168 0.000 0.924 448 R CB 0.049 30.389 30.300 0.067 0.000 1.013 448 R HN 0.570 nan 8.270 nan 0.000 0.454 449 E N 2.954 123.349 120.200 0.325 0.000 2.200 449 E HA 0.048 4.361 4.350 -0.061 0.000 0.283 449 E C -1.032 175.772 176.600 0.341 0.000 1.015 449 E CA -0.585 56.007 56.400 0.319 0.000 0.819 449 E CB 1.214 31.097 29.700 0.305 0.000 1.081 449 E HN 0.481 nan 8.360 nan 0.000 0.397 450 H N 2.908 121.981 119.070 0.005 0.000 2.640 450 H HA 0.141 4.660 4.556 -0.061 0.000 0.297 450 H C -0.881 174.392 175.328 -0.091 0.000 1.073 450 H CA -0.350 55.464 56.048 -0.390 0.000 1.305 450 H CB 0.245 29.491 29.762 -0.861 0.000 1.404 450 H HN 0.490 nan 8.280 nan 0.000 0.459 451 H N 6.492 125.175 119.070 -0.644 0.000 2.562 451 H HA 0.258 4.776 4.556 -0.062 0.000 0.314 451 H C 0.250 175.256 175.328 -0.537 0.000 1.079 451 H CA -0.475 55.287 56.048 -0.476 0.000 1.349 451 H CB 1.258 30.887 29.762 -0.222 0.000 1.432 451 H HN 0.632 nan 8.280 nan 0.000 0.479 452 I N 0.792 121.173 120.570 -0.315 0.000 2.892 452 I HA 0.338 4.471 4.170 -0.061 0.000 0.306 452 I C 0.063 176.151 176.117 -0.049 0.000 1.078 452 I CA -1.121 60.087 61.300 -0.154 0.000 1.032 452 I CB 2.230 40.170 38.000 -0.100 0.000 1.229 452 I HN 0.488 nan 8.210 nan 0.000 0.435 453 N N 0.925 119.699 118.700 0.123 0.000 2.194 453 N HA 0.204 4.907 4.740 -0.061 0.000 0.231 453 N C -0.699 174.999 175.510 0.314 0.000 1.247 453 N CA -0.281 52.917 53.050 0.247 0.000 0.884 453 N CB 0.884 39.571 38.487 0.333 0.000 1.146 453 N HN 0.696 nan 8.380 nan 0.000 0.516 454 T N 0.367 115.103 114.554 0.303 0.000 2.912 454 T HA 0.275 4.588 4.350 -0.061 0.000 0.299 454 T C -1.360 173.542 174.700 0.337 0.000 1.052 454 T CA -0.586 61.665 62.100 0.252 0.000 0.996 454 T CB 1.839 70.790 68.868 0.139 0.000 1.070 454 T HN -0.045 nan 8.240 nan 0.000 0.465 455 D N 2.644 123.168 120.400 0.206 0.000 2.506 455 D HA 0.183 4.786 4.640 -0.061 0.000 0.234 455 D C 0.333 176.749 176.300 0.193 0.000 1.143 455 D CA 0.587 54.725 54.000 0.231 0.000 0.871 455 D CB 0.292 41.115 40.800 0.038 0.000 1.190 455 D HN 0.356 nan 8.370 nan 0.000 0.459 456 N N 1.744 120.573 118.700 0.216 0.000 2.716 456 N HA 0.217 4.920 4.740 -0.061 0.000 0.245 456 N C -2.545 173.058 175.510 0.155 0.000 1.495 456 N CA -1.598 51.542 53.050 0.151 0.000 0.759 456 N CB 1.056 39.621 38.487 0.131 0.000 1.261 456 N HN -0.017 nan 8.380 nan 0.000 0.515 457 P HA -0.004 nan 4.420 nan 0.000 0.239 457 P C 0.761 178.132 177.300 0.119 0.000 1.184 457 P CA 0.790 63.978 63.100 0.147 0.000 0.760 457 P CB 0.155 31.924 31.700 0.115 0.000 0.884 458 S N -2.193 113.563 115.700 0.093 0.000 2.517 458 S HA 0.109 4.542 4.470 -0.061 0.000 0.214 458 S C 0.716 175.343 174.600 0.046 0.000 0.991 458 S CA -0.223 58.014 58.200 0.062 0.000 0.906 458 S CB -0.839 62.385 63.200 0.041 0.000 0.789 458 S HN 0.013 nan 8.310 nan 0.000 0.513 459 L N 1.883 123.139 121.223 0.055 0.000 2.525 459 L HA 0.191 4.494 4.340 -0.061 0.000 0.278 459 L C 1.171 178.039 176.870 -0.004 0.000 1.218 459 L CA 0.245 55.070 54.840 -0.025 0.000 0.878 459 L CB 0.455 42.500 42.059 -0.025 0.000 1.127 459 L HN 0.244 nan 8.230 nan 0.000 0.492 460 K N 0.792 121.106 120.400 -0.144 0.000 2.481 460 K HA 0.179 4.462 4.320 -0.061 0.000 0.210 460 K C -0.266 176.194 176.600 -0.232 0.000 1.161 460 K CA 0.065 56.324 56.287 -0.046 0.000 1.023 460 K CB 0.973 33.466 32.500 -0.013 0.000 0.971 460 K HN 0.738 nan 8.250 nan 0.000 0.577 461 S N 0.091 115.389 115.700 -0.669 0.000 2.595 461 S HA 0.429 4.863 4.470 -0.061 0.000 0.270 461 S C -3.194 170.961 174.600 -0.741 0.000 1.145 461 S CA -1.421 56.343 58.200 -0.727 0.000 0.825 461 S CB 1.695 64.763 63.200 -0.220 0.000 1.107 461 S HN -0.256 nan 8.310 nan 0.000 0.461 462 P HA 0.435 nan 4.420 nan 0.000 0.272 462 P C -2.635 174.589 177.300 -0.127 0.000 1.240 462 P CA -0.989 61.993 63.100 -0.196 0.000 0.791 462 P CB -0.717 31.022 31.700 0.066 0.000 0.978 463 P HA 0.180 nan 4.420 nan 0.000 0.272 463 P C -2.376 175.030 177.300 0.177 0.000 1.223 463 P CA -1.146 61.928 63.100 -0.044 0.000 0.784 463 P CB -1.145 30.402 31.700 -0.256 0.000 0.923 464 P HA -0.007 nan 4.420 nan 0.000 0.260 464 P C 1.018 178.268 177.300 -0.082 0.000 1.172 464 P CA 1.684 64.790 63.100 0.009 0.000 0.760 464 P CB -0.170 31.523 31.700 -0.012 0.000 0.773 465 G N 1.638 110.341 108.800 -0.163 0.000 2.234 465 G HA2 -0.228 3.696 3.960 -0.061 0.000 0.235 465 G HA3 -0.228 3.696 3.960 -0.061 0.000 0.235 465 G C -0.129 174.472 174.900 -0.499 0.000 0.997 465 G CA -0.537 44.336 45.100 -0.378 0.000 0.623 465 G HN 0.405 nan 8.290 nan 0.000 0.514 466 F N 1.187 121.130 119.950 -0.011 0.000 2.458 466 F HA 0.616 5.105 4.527 -0.063 0.000 0.330 466 F C 0.880 176.695 175.800 0.024 0.000 1.082 466 F CA -0.827 57.185 58.000 0.020 0.000 0.995 466 F CB 1.425 40.448 39.000 0.038 0.000 1.170 466 F HN -0.111 nan 8.300 nan 0.000 0.478 467 D N -0.115 120.420 120.400 0.225 0.000 2.417 467 D HA 0.069 4.672 4.640 -0.061 0.000 0.207 467 D C -0.122 176.273 176.300 0.159 0.000 1.075 467 D CA 0.572 54.654 54.000 0.138 0.000 0.851 467 D CB 0.633 41.477 40.800 0.073 0.000 0.976 467 D HN 0.408 nan 8.370 nan 0.000 0.505 468 S N -0.297 115.526 115.700 0.206 0.000 2.537 468 S HA 0.512 4.946 4.470 -0.061 0.000 0.270 468 S C -0.895 173.814 174.600 0.182 0.000 1.142 468 S CA -0.855 57.457 58.200 0.187 0.000 0.870 468 S CB 2.344 65.610 63.200 0.109 0.000 1.112 468 S HN -0.167 nan 8.310 nan 0.000 0.466 469 V N 2.777 122.803 119.914 0.188 0.000 2.435 469 V HA 0.562 4.645 4.120 -0.061 0.000 0.290 469 V C -0.483 175.532 176.094 -0.132 0.000 1.030 469 V CA -0.619 61.729 62.300 0.081 0.000 0.881 469 V CB 1.189 33.128 31.823 0.192 0.000 0.983 469 V HN 0.887 nan 8.190 nan 0.000 0.445 470 I N 3.695 124.068 120.570 -0.328 0.000 2.410 470 I HA 0.536 4.669 4.170 -0.061 0.000 0.286 470 I C 0.384 176.084 176.117 -0.695 0.000 1.009 470 I CA -0.688 60.239 61.300 -0.622 0.000 1.111 470 I CB 1.866 39.319 38.000 -0.912 0.000 1.262 470 I HN 0.663 nan 8.210 nan 0.000 0.443 471 A N 7.217 129.602 122.820 -0.726 0.000 2.671 471 A HA 0.367 4.650 4.320 -0.061 0.000 0.306 471 A C 0.244 177.361 177.584 -0.780 0.000 1.473 471 A CA -0.498 50.988 52.037 -0.918 0.000 1.155 471 A CB -0.256 17.760 19.000 -1.640 0.000 1.123 471 A HN 0.566 nan 8.150 nan 0.000 0.545 472 R N 1.776 121.833 120.500 -0.738 0.000 2.449 472 R HA 0.201 4.504 4.340 -0.061 0.000 0.296 472 R C 0.835 176.904 176.300 -0.384 0.000 1.047 472 R CA 0.512 56.155 56.100 -0.762 0.000 1.018 472 R CB 0.504 29.853 30.300 -1.586 0.000 0.962 472 R HN 0.712 nan 8.270 nan 0.000 0.428 473 G N 0.523 109.186 108.800 -0.229 0.000 2.522 473 G HA2 0.147 4.070 3.960 -0.061 0.000 0.304 473 G HA3 0.147 4.070 3.960 -0.061 0.000 0.304 473 G C 0.516 175.430 174.900 0.023 0.000 1.210 473 G CA -0.542 44.504 45.100 -0.089 0.000 0.960 473 G HN 0.750 nan 8.290 nan 0.000 0.497 474 H N -1.254 117.893 119.070 0.129 0.000 2.489 474 H HA 0.023 4.542 4.556 -0.061 0.000 0.293 474 H C 1.432 176.831 175.328 0.119 0.000 1.066 474 H CA 1.209 57.337 56.048 0.134 0.000 1.305 474 H CB 0.189 30.015 29.762 0.106 0.000 1.386 474 H HN 0.521 nan 8.280 nan 0.000 0.551 475 T N -2.127 112.545 114.554 0.197 0.000 2.864 475 T HA 0.587 4.900 4.350 -0.061 0.000 0.289 475 T C -0.934 173.839 174.700 0.121 0.000 1.082 475 T CA -1.138 61.053 62.100 0.152 0.000 1.009 475 T CB 3.313 72.263 68.868 0.136 0.000 1.234 475 T HN 0.076 nan 8.240 nan 0.000 0.526 476 E N 0.390 120.664 120.200 0.123 0.000 2.354 476 E HA 0.484 4.797 4.350 -0.061 0.000 0.283 476 E C -3.154 173.527 176.600 0.134 0.000 0.938 476 E CA -1.885 54.592 56.400 0.130 0.000 0.777 476 E CB 2.059 31.831 29.700 0.119 0.000 1.222 476 E HN 0.400 nan 8.360 nan 0.000 0.423 477 P HA -0.029 nan 4.420 nan 0.000 0.258 477 P C -0.684 176.690 177.300 0.125 0.000 1.172 477 P CA 0.156 63.349 63.100 0.155 0.000 0.762 477 P CB 0.310 32.137 31.700 0.212 0.000 0.764 478 D N 6.175 126.638 120.400 0.104 0.000 2.660 478 D HA -0.091 4.512 4.640 -0.061 0.000 0.253 478 D C -1.277 175.069 176.300 0.076 0.000 1.256 478 D CA -1.049 53.002 54.000 0.086 0.000 0.914 478 D CB 0.262 41.105 40.800 0.072 0.000 1.137 478 D HN 0.221 nan 8.370 nan 0.000 0.542 479 P HA -0.124 nan 4.420 nan 0.000 0.222 479 P C 1.227 178.556 177.300 0.049 0.000 1.147 479 P CA 1.266 64.406 63.100 0.066 0.000 0.790 479 P CB 0.006 31.753 31.700 0.079 0.000 0.780 480 T N -4.180 110.403 114.554 0.048 0.000 3.085 480 T HA -0.060 4.254 4.350 -0.061 0.000 0.263 480 T C 1.410 176.129 174.700 0.031 0.000 1.127 480 T CA 0.786 62.908 62.100 0.038 0.000 1.103 480 T CB -0.554 68.337 68.868 0.038 0.000 0.921 480 T HN 0.006 nan 8.240 nan 0.000 0.510 481 Q N 1.139 120.960 119.800 0.034 0.000 2.247 481 Q HA 0.245 4.548 4.340 -0.061 0.000 0.204 481 Q C -0.521 175.488 176.000 0.014 0.000 0.872 481 Q CA -0.077 55.743 55.803 0.029 0.000 0.951 481 Q CB 0.158 28.920 28.738 0.041 0.000 1.099 481 Q HN 0.588 nan 8.270 nan 0.000 0.501 482 D N 1.229 121.632 120.400 0.006 0.000 2.443 482 D HA 0.075 4.678 4.640 -0.061 0.000 0.239 482 D C 0.090 176.371 176.300 -0.032 0.000 1.136 482 D CA 0.721 54.707 54.000 -0.023 0.000 0.879 482 D CB 1.041 41.830 40.800 -0.019 0.000 1.195 482 D HN -0.136 nan 8.370 nan 0.000 0.443 483 T N 0.786 115.303 114.554 -0.062 0.000 2.926 483 T HA 0.459 4.772 4.350 -0.061 0.000 0.289 483 T C -1.007 173.651 174.700 -0.069 0.000 1.054 483 T CA -0.679 61.389 62.100 -0.054 0.000 1.015 483 T CB 1.071 69.909 68.868 -0.051 0.000 1.167 483 T HN 0.233 nan 8.240 nan 0.000 0.526 484 E N 1.342 121.513 120.200 -0.049 0.000 2.248 484 E HA 0.510 4.823 4.350 -0.061 0.000 0.267 484 E C -1.119 175.461 176.600 -0.034 0.000 0.877 484 E CA -0.648 55.725 56.400 -0.045 0.000 0.759 484 E CB 2.404 32.088 29.700 -0.026 0.000 1.182 484 E HN 0.406 nan 8.360 nan 0.000 0.418 485 L N 1.975 123.180 121.223 -0.031 0.000 2.325 485 L HA 0.307 4.610 4.340 -0.061 0.000 0.278 485 L C -0.087 176.790 176.870 0.011 0.000 1.023 485 L CA -0.495 54.341 54.840 -0.005 0.000 0.811 485 L CB 1.618 43.679 42.059 0.005 0.000 1.249 485 L HN 0.571 nan 8.230 nan 0.000 0.431 486 E N 4.666 124.879 120.200 0.022 0.000 1.963 486 E HA 0.325 4.638 4.350 -0.061 0.000 0.274 486 E C -1.432 175.191 176.600 0.037 0.000 1.061 486 E CA -0.374 56.042 56.400 0.026 0.000 0.847 486 E CB 0.438 30.152 29.700 0.023 0.000 1.083 486 E HN 0.443 nan 8.360 nan 0.000 0.402 487 L N 4.804 126.049 121.223 0.038 0.000 2.294 487 L HA 0.305 4.608 4.340 -0.061 0.000 0.283 487 L C -0.463 176.429 176.870 0.038 0.000 1.015 487 L CA -0.874 53.988 54.840 0.036 0.000 0.831 487 L CB 1.325 43.398 42.059 0.023 0.000 1.217 487 L HN 0.589 nan 8.230 nan 0.000 0.420 488 D N 3.377 123.797 120.400 0.033 0.000 2.689 488 D HA -0.187 4.416 4.640 -0.061 0.000 0.237 488 D C 1.214 177.539 176.300 0.041 0.000 1.148 488 D CA 1.510 55.533 54.000 0.038 0.000 0.656 488 D CB -0.746 40.084 40.800 0.051 0.000 1.050 488 D HN 1.097 nan 8.370 nan 0.000 0.426 489 G N -0.947 107.873 108.800 0.033 0.000 2.189 489 G HA2 -0.346 3.577 3.960 -0.061 0.000 0.267 489 G HA3 -0.346 3.577 3.960 -0.061 0.000 0.267 489 G C 0.135 175.051 174.900 0.028 0.000 0.975 489 G CA 0.494 45.610 45.100 0.027 0.000 0.644 489 G HN 0.431 nan 8.290 nan 0.000 0.537 490 Q N 0.096 119.918 119.800 0.037 0.000 2.282 490 Q HA 0.430 4.733 4.340 -0.061 0.000 0.260 490 Q C -0.160 175.856 176.000 0.028 0.000 0.964 490 Q CA -0.525 55.300 55.803 0.038 0.000 0.880 490 Q CB 1.456 30.234 28.738 0.066 0.000 1.286 490 Q HN 0.348 nan 8.270 nan 0.000 0.445 491 Q N 1.808 121.618 119.800 0.017 0.000 2.337 491 Q HA 0.306 4.609 4.340 -0.061 0.000 0.255 491 Q C -0.604 175.397 176.000 0.001 0.000 0.997 491 Q CA -0.214 55.593 55.803 0.007 0.000 0.925 491 Q CB 0.988 29.728 28.738 0.002 0.000 1.212 491 Q HN 0.298 nan 8.270 nan 0.000 0.436 492 V N 3.482 123.392 119.914 -0.008 0.000 2.384 492 V HA 0.256 4.339 4.120 -0.061 0.000 0.287 492 V C 0.300 176.356 176.094 -0.064 0.000 1.020 492 V CA -0.847 61.436 62.300 -0.027 0.000 0.850 492 V CB 1.858 33.669 31.823 -0.020 0.000 0.987 492 V HN 0.454 nan 8.190 nan 0.000 0.436 493 V N 5.965 125.831 119.914 -0.079 0.000 2.572 493 V HA 0.199 4.282 4.120 -0.061 0.000 0.291 493 V C 0.085 176.059 176.094 -0.200 0.000 1.039 493 V CA 0.064 62.298 62.300 -0.109 0.000 1.055 493 V CB 1.349 33.123 31.823 -0.081 0.000 0.969 493 V HN 0.632 nan 8.190 nan 0.000 0.482 494 V N 7.284 127.049 119.914 -0.249 0.000 2.419 494 V HA 0.325 4.408 4.120 -0.061 0.000 0.287 494 V C -2.415 173.406 176.094 -0.455 0.000 1.017 494 V CA -1.939 60.079 62.300 -0.470 0.000 0.844 494 V CB 1.661 33.229 31.823 -0.425 0.000 1.011 494 V HN 0.704 nan 8.190 nan 0.000 0.429 495 P HA 0.103 nan 4.420 nan 0.000 0.266 495 P C 0.112 177.352 177.300 -0.100 0.000 1.193 495 P CA 0.319 63.300 63.100 -0.198 0.000 0.770 495 P CB 0.563 32.282 31.700 0.031 0.000 0.836 496 Q N 0.210 120.035 119.800 0.042 0.000 2.101 496 Q HA 0.214 4.517 4.340 -0.061 0.000 0.236 496 Q C 0.796 176.864 176.000 0.112 0.000 0.772 496 Q CA 0.181 56.037 55.803 0.089 0.000 0.944 496 Q CB 0.971 29.727 28.738 0.030 0.000 1.171 496 Q HN 0.560 nan 8.270 nan 0.000 0.463 497 G N 0.396 109.261 108.800 0.108 0.000 2.461 497 G HA2 0.430 4.353 3.960 -0.061 0.000 0.329 497 G HA3 0.430 4.353 3.960 -0.061 0.000 0.329 497 G C -0.206 174.761 174.900 0.112 0.000 1.170 497 G CA -0.274 44.883 45.100 0.095 0.000 0.935 497 G HN -0.095 nan 8.290 nan 0.000 0.492 498 Q N -0.071 119.782 119.800 0.088 0.000 2.492 498 Q HA 0.111 4.414 4.340 -0.061 0.000 0.238 498 Q C -2.102 173.953 176.000 0.091 0.000 1.045 498 Q CA -1.039 54.814 55.803 0.083 0.000 0.934 498 Q CB 0.772 29.547 28.738 0.062 0.000 1.276 498 Q HN 0.207 nan 8.270 nan 0.000 0.521 499 P HA -0.040 nan 4.420 nan 0.000 0.267 499 P C -1.034 176.319 177.300 0.088 0.000 1.205 499 P CA 0.177 63.335 63.100 0.097 0.000 0.765 499 P CB 0.455 32.209 31.700 0.091 0.000 0.828 500 V N 1.738 121.709 119.914 0.095 0.000 2.864 500 V HA 0.689 4.772 4.120 -0.061 0.000 0.314 500 V C -2.697 173.458 176.094 0.102 0.000 1.073 500 V CA -3.407 58.946 62.300 0.088 0.000 0.956 500 V CB 1.546 33.418 31.823 0.081 0.000 1.023 500 V HN 0.231 nan 8.190 nan 0.000 0.435 501 P HA 0.195 nan 4.420 nan 0.000 0.265 501 P C -0.563 176.812 177.300 0.126 0.000 1.193 501 P CA 0.067 63.231 63.100 0.107 0.000 0.765 501 P CB 0.267 32.013 31.700 0.077 0.000 0.823 502 C N 6.614 126.016 119.300 0.169 0.000 2.357 502 C HA 0.230 4.653 4.460 -0.061 0.000 0.300 502 C C -1.020 174.089 174.990 0.199 0.000 1.074 502 C CA -1.173 57.973 59.018 0.212 0.000 1.566 502 C CB 0.272 28.194 27.740 0.303 0.000 1.791 502 C HN 0.588 nan 8.230 nan 0.000 0.415 503 P HA -0.189 nan 4.420 nan 0.000 0.217 503 P C 1.424 178.723 177.300 -0.002 0.000 1.148 503 P CA 1.252 64.383 63.100 0.053 0.000 0.828 503 P CB 0.180 31.896 31.700 0.026 0.000 0.783 504 E N -1.517 118.647 120.200 -0.060 0.000 2.333 504 E HA -0.125 4.188 4.350 -0.061 0.000 0.198 504 E C 0.157 176.376 176.600 -0.635 0.000 1.007 504 E CA 0.746 56.931 56.400 -0.357 0.000 0.845 504 E CB -0.157 29.258 29.700 -0.477 0.000 0.766 504 E HN 0.266 nan 8.360 nan 0.000 0.507 505 F N -0.629 119.376 119.950 0.091 0.000 2.815 505 F HA 0.162 4.653 4.527 -0.060 0.000 0.335 505 F C 1.600 177.525 175.800 0.209 0.000 1.179 505 F CA -0.176 57.898 58.000 0.123 0.000 1.204 505 F CB 0.574 39.636 39.000 0.102 0.000 1.050 505 F HN -0.053 nan 8.300 nan 0.000 0.510 506 S N -0.426 115.416 115.700 0.238 0.000 2.399 506 S HA -0.176 4.257 4.470 -0.061 0.000 0.231 506 S C 1.680 176.354 174.600 0.124 0.000 1.022 506 S CA 1.382 59.680 58.200 0.163 0.000 0.983 506 S CB -0.608 62.615 63.200 0.038 0.000 0.803 506 S HN 0.339 nan 8.310 nan 0.000 0.480 507 S N 0.724 116.520 115.700 0.160 0.000 2.573 507 S HA 0.403 4.836 4.470 -0.061 0.000 0.244 507 S C 0.342 175.096 174.600 0.255 0.000 0.984 507 S CA -0.347 57.943 58.200 0.150 0.000 1.001 507 S CB -0.151 63.093 63.200 0.073 0.000 0.788 507 S HN 0.422 nan 8.310 nan 0.000 0.456 508 S N 1.688 117.623 115.700 0.393 0.000 2.600 508 S HA 0.237 4.670 4.470 -0.061 0.000 0.265 508 S C 1.535 176.264 174.600 0.214 0.000 1.325 508 S CA 0.308 58.689 58.200 0.303 0.000 1.002 508 S CB 0.648 64.028 63.200 0.301 0.000 0.921 508 S HN 0.623 nan 8.310 nan 0.000 0.554 509 T N 0.696 115.314 114.554 0.105 0.000 3.113 509 T HA 0.241 4.554 4.350 -0.061 0.000 0.256 509 T C 0.139 174.632 174.700 -0.345 0.000 1.131 509 T CA 0.256 62.288 62.100 -0.113 0.000 1.074 509 T CB -0.507 68.225 68.868 -0.226 0.000 0.944 509 T HN 0.399 nan 8.240 nan 0.000 0.516 510 F N 1.419 121.283 119.950 -0.143 0.000 2.427 510 F HA 0.539 5.030 4.527 -0.060 0.000 0.346 510 F C 1.456 176.981 175.800 -0.459 0.000 1.120 510 F CA -1.015 56.868 58.000 -0.195 0.000 1.033 510 F CB 1.876 40.796 39.000 -0.134 0.000 1.126 510 F HN -0.108 nan 8.300 nan 0.000 0.462 511 S N 1.168 116.753 115.700 -0.192 0.000 2.395 511 S HA -0.019 4.415 4.470 -0.061 0.000 0.225 511 S C 0.371 174.941 174.600 -0.049 0.000 1.027 511 S CA 0.743 58.809 58.200 -0.223 0.000 0.965 511 S CB -0.054 63.167 63.200 0.035 0.000 0.812 511 S HN 0.624 nan 8.310 nan 0.000 0.482 512 Q N 0.405 120.232 119.800 0.045 0.000 2.394 512 Q HA 0.467 4.770 4.340 -0.061 0.000 0.273 512 Q C -1.035 175.006 176.000 0.070 0.000 1.089 512 Q CA -0.390 55.459 55.803 0.077 0.000 0.812 512 Q CB 1.980 30.782 28.738 0.106 0.000 1.353 512 Q HN 0.037 nan 8.270 nan 0.000 0.438 513 S N 1.589 117.311 115.700 0.036 0.000 2.549 513 S HA 0.065 4.498 4.470 -0.061 0.000 0.283 513 S C -0.622 173.988 174.600 0.015 0.000 1.320 513 S CA -0.048 58.102 58.200 -0.082 0.000 1.058 513 S CB 0.210 63.351 63.200 -0.099 0.000 0.882 513 S HN 0.352 nan 8.310 nan 0.000 0.498 514 E N 2.401 122.493 120.200 -0.179 0.000 2.207 514 E HA 0.202 4.515 4.350 -0.061 0.000 0.250 514 E C -1.313 175.215 176.600 -0.119 0.000 0.890 514 E CA -0.279 56.112 56.400 -0.015 0.000 0.749 514 E CB 0.925 30.629 29.700 0.006 0.000 1.193 514 E HN 0.580 nan 8.360 nan 0.000 0.423 515 Y N 2.393 122.678 120.300 -0.025 0.000 2.359 515 Y HA 0.176 4.695 4.550 -0.051 0.000 0.330 515 Y C 0.231 176.098 175.900 -0.055 0.000 1.143 515 Y CA -0.424 57.650 58.100 -0.043 0.000 1.318 515 Y CB 0.704 39.176 38.460 0.020 0.000 1.234 515 Y HN 0.260 nan 8.280 nan 0.000 0.522 516 L N 5.617 126.812 121.223 -0.047 0.000 2.386 516 L HA 0.562 4.865 4.340 -0.061 0.000 0.271 516 L C -0.365 176.384 176.870 -0.201 0.000 0.993 516 L CA -0.872 53.812 54.840 -0.260 0.000 0.819 516 L CB 1.759 43.544 42.059 -0.458 0.000 1.294 516 L HN 0.648 nan 8.230 nan 0.000 0.414 517 I N -0.787 119.603 120.570 -0.301 0.000 2.785 517 I HA 0.465 4.598 4.170 -0.061 0.000 0.302 517 I C -1.002 174.867 176.117 -0.412 0.000 1.069 517 I CA -0.727 60.460 61.300 -0.187 0.000 1.045 517 I CB 2.381 40.352 38.000 -0.049 0.000 1.236 517 I HN 0.456 nan 8.210 nan 0.000 0.429 518 Y N 2.186 122.483 120.300 -0.004 0.000 2.660 518 Y HA 0.289 4.803 4.550 -0.060 0.000 0.254 518 Y C -0.149 175.758 175.900 0.012 0.000 1.176 518 Y CA -0.473 57.626 58.100 -0.001 0.000 1.195 518 Y CB 0.634 39.091 38.460 -0.005 0.000 1.190 518 Y HN 0.594 nan 8.280 nan 0.000 0.535 519 Q N -1.296 118.563 119.800 0.098 0.000 2.263 519 Q HA 0.325 4.628 4.340 -0.061 0.000 0.262 519 Q C -0.274 175.761 176.000 0.060 0.000 0.984 519 Q CA -0.646 55.207 55.803 0.083 0.000 0.813 519 Q CB 1.633 30.434 28.738 0.106 0.000 1.299 519 Q HN 0.267 nan 8.270 nan 0.000 0.428 520 E N 1.125 121.360 120.200 0.058 0.000 2.171 520 E HA -0.237 4.076 4.350 -0.061 0.000 0.197 520 E C 1.383 178.038 176.600 0.092 0.000 0.997 520 E CA 1.852 58.284 56.400 0.053 0.000 0.810 520 E CB 0.071 29.791 29.700 0.032 0.000 0.738 520 E HN 0.821 nan 8.360 nan 0.000 0.467 521 S N 0.740 116.523 115.700 0.138 0.000 2.500 521 S HA -0.172 4.261 4.470 -0.061 0.000 0.239 521 S C 1.708 176.471 174.600 0.273 0.000 0.989 521 S CA 0.748 59.093 58.200 0.241 0.000 0.951 521 S CB -0.098 63.288 63.200 0.311 0.000 0.759 521 S HN 0.273 nan 8.310 nan 0.000 0.523 522 Q N -0.363 119.456 119.800 0.032 0.000 2.451 522 Q HA 0.207 4.511 4.340 -0.061 0.000 0.206 522 Q C 0.368 176.472 176.000 0.173 0.000 0.947 522 Q CA 0.085 55.797 55.803 -0.153 0.000 0.937 522 Q CB 0.180 28.728 28.738 -0.316 0.000 1.025 522 Q HN 0.650 nan 8.270 nan 0.000 0.511 523 C N 0.896 120.306 119.300 0.183 0.000 2.382 523 C HA 0.658 5.082 4.460 -0.061 0.000 0.327 523 C C -0.656 174.273 174.990 -0.102 0.000 1.250 523 C CA -0.615 58.443 59.018 0.066 0.000 1.707 523 C CB 0.916 28.718 27.740 0.103 0.000 2.272 523 C HN 0.270 nan 8.230 nan 0.000 0.506 524 R N 5.123 125.387 120.500 -0.394 0.000 2.468 524 R HA 0.539 4.842 4.340 -0.061 0.000 0.302 524 R C -1.177 174.904 176.300 -0.365 0.000 1.041 524 R CA -0.411 55.316 56.100 -0.622 0.000 0.899 524 R CB 0.426 29.850 30.300 -1.461 0.000 1.167 524 R HN 0.877 nan 8.270 nan 0.000 0.483 525 L N 5.149 126.226 121.223 -0.243 0.000 2.559 525 L HA 0.084 4.387 4.340 -0.061 0.000 0.274 525 L C 0.996 177.753 176.870 -0.188 0.000 1.205 525 L CA 0.116 54.866 54.840 -0.150 0.000 0.907 525 L CB 0.477 42.455 42.059 -0.135 0.000 1.153 525 L HN 0.652 nan 8.230 nan 0.000 0.490 526 R N 2.450 122.841 120.500 -0.182 0.000 2.215 526 R HA 0.236 4.539 4.340 -0.061 0.000 0.190 526 R C -0.666 175.236 176.300 -0.664 0.000 0.968 526 R CA 0.563 56.363 56.100 -0.500 0.000 1.122 526 R CB 0.335 30.285 30.300 -0.584 0.000 1.151 526 R HN 0.439 nan 8.270 nan 0.000 0.582 527 Y N -0.435 119.948 120.300 0.139 0.000 2.524 527 Y HA 0.516 5.042 4.550 -0.040 0.000 0.347 527 Y C -0.810 175.229 175.900 0.231 0.000 1.005 527 Y CA -1.281 56.921 58.100 0.171 0.000 1.025 527 Y CB 1.811 40.331 38.460 0.099 0.000 1.275 527 Y HN -0.203 nan 8.280 nan 0.000 0.460 528 L N 3.607 125.069 121.223 0.399 0.000 2.325 528 L HA 0.692 4.995 4.340 -0.061 0.000 0.281 528 L C -1.855 175.249 176.870 0.390 0.000 1.004 528 L CA -0.707 54.261 54.840 0.213 0.000 0.823 528 L CB 0.910 43.027 42.059 0.097 0.000 1.236 528 L HN 0.539 nan 8.230 nan 0.000 0.415 529 L N 4.334 125.726 121.223 0.281 0.000 2.317 529 L HA 0.539 4.842 4.340 -0.061 0.000 0.281 529 L C -0.034 177.061 176.870 0.374 0.000 1.024 529 L CA -0.108 54.917 54.840 0.309 0.000 0.810 529 L CB 1.658 43.864 42.059 0.244 0.000 1.240 529 L HN 0.623 nan 8.230 nan 0.000 0.427 530 E N 2.915 123.348 120.200 0.389 0.000 2.092 530 E HA 0.550 4.863 4.350 -0.061 0.000 0.271 530 E C -1.196 175.450 176.600 0.077 0.000 0.919 530 E CA -0.683 55.881 56.400 0.272 0.000 0.760 530 E CB 1.258 31.286 29.700 0.547 0.000 1.106 530 E HN 0.459 nan 8.360 nan 0.000 0.408 531 V N 1.285 121.200 119.914 0.001 0.000 2.769 531 V HA 0.584 4.668 4.120 -0.061 0.000 0.312 531 V C -0.374 175.793 176.094 0.122 0.000 1.058 531 V CA -0.675 61.637 62.300 0.020 0.000 0.952 531 V CB 1.642 33.447 31.823 -0.029 0.000 1.019 531 V HN 0.728 nan 8.190 nan 0.000 0.445 532 H N 0.000 119.014 119.070 -0.093 0.000 2.539 532 H HA 0.000 4.519 4.556 -0.061 0.000 0.296 532 H CA 0.000 56.022 56.048 -0.043 0.000 1.023 532 H CB 0.000 29.689 29.762 -0.122 0.000 1.292 532 H HN 0.000 nan 8.280 nan 0.000 0.496