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 1omi_1_A DATA FIRST_RESID 1005 DATA SEQUENCE GSEFKKYLET NGIKPKQFHK KELIFNQWDP QEYCIFLYDG ITKLTSISEN DATA SEQUENCE GTIMNLQYYK GAFVIMSGFI DTETSVGYYN LEVISEQATA YVIKINELKE DATA SEQUENCE LLSKNLTHFF YVFQTLQKQV SYSLAKFNDF SINGKLGSIC GQLLILTYVY DATA SEQUENCE GKETPDGIKI TLDNLTMQEL XXXXXXXXXS AVSRIISKLK QEKVIVYKNS DATA SEQUENCE CFYVQNLDYL KRYAPKLDEW FYLACPATWG KLN 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 1005 G HA2 0.000 nan 3.960 nan 0.000 0.244 1005 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1005 G C 0.000 174.987 174.900 0.144 0.000 0.946 1005 G CA 0.000 45.031 45.100 -0.116 0.000 0.502 1006 S N 0.966 116.762 115.700 0.160 0.000 2.368 1006 S HA -0.010 4.459 4.470 -0.000 0.000 0.224 1006 S C 2.110 176.764 174.600 0.090 0.000 1.029 1006 S CA 1.354 59.685 58.200 0.219 0.000 0.988 1006 S CB -0.094 63.211 63.200 0.176 0.000 0.838 1006 S HN 0.362 nan 8.310 nan 0.000 0.462 1007 E N 0.684 120.913 120.200 0.048 0.000 2.130 1007 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 1007 E C 1.652 178.234 176.600 -0.031 0.000 0.998 1007 E CA 0.836 57.275 56.400 0.065 0.000 0.806 1007 E CB -0.372 29.410 29.700 0.137 0.000 0.738 1007 E HN 0.538 nan 8.360 nan 0.000 0.459 1008 F N 1.930 121.642 119.950 -0.398 0.000 2.293 1008 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 1008 F C 2.126 177.570 175.800 -0.595 0.000 1.086 1008 F CA 1.020 58.576 58.000 -0.741 0.000 1.375 1008 F CB 0.082 38.543 39.000 -0.897 0.000 1.045 1008 F HN -0.148 nan 8.300 nan 0.000 0.516 1009 K N 0.958 121.133 120.400 -0.375 0.000 2.062 1009 K HA -0.128 4.191 4.320 -0.000 0.000 0.205 1009 K C 1.975 178.324 176.600 -0.417 0.000 1.051 1009 K CA 1.211 57.196 56.287 -0.503 0.000 0.941 1009 K CB -0.121 32.192 32.500 -0.312 0.000 0.719 1009 K HN 0.281 nan 8.250 nan 0.000 0.440 1010 K N -0.476 119.796 120.400 -0.213 0.000 2.001 1010 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 1010 K C 2.192 178.716 176.600 -0.125 0.000 1.048 1010 K CA 1.441 57.658 56.287 -0.116 0.000 0.932 1010 K CB -0.464 32.026 32.500 -0.018 0.000 0.715 1010 K HN 0.089 nan 8.250 nan 0.000 0.437 1011 Y N 2.117 122.238 120.300 -0.298 0.000 2.241 1011 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 1011 Y C 1.709 177.396 175.900 -0.357 0.000 1.166 1011 Y CA 1.322 59.245 58.100 -0.295 0.000 1.203 1011 Y CB -0.225 37.959 38.460 -0.459 0.000 0.977 1011 Y HN -0.020 nan 8.280 nan 0.000 0.529 1012 L N -0.583 120.301 121.223 -0.566 0.000 2.095 1012 L HA -0.138 4.202 4.340 -0.000 0.000 0.204 1012 L C 2.348 179.032 176.870 -0.311 0.000 1.080 1012 L CA 1.392 55.889 54.840 -0.571 0.000 0.759 1012 L CB -0.537 41.087 42.059 -0.725 0.000 0.914 1012 L HN 0.188 nan 8.230 nan 0.000 0.439 1013 E N 0.056 120.127 120.200 -0.215 0.000 2.051 1013 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 1013 E C 1.631 178.165 176.600 -0.111 0.000 0.991 1013 E CA 1.790 58.138 56.400 -0.086 0.000 0.799 1013 E CB -0.367 29.309 29.700 -0.041 0.000 0.748 1013 E HN 0.510 nan 8.360 nan 0.000 0.449 1014 T N -1.039 113.432 114.554 -0.138 0.000 3.584 1014 T HA 0.053 4.403 4.350 -0.000 0.000 0.252 1014 T C 0.532 175.131 174.700 -0.168 0.000 1.103 1014 T CA 0.464 62.495 62.100 -0.115 0.000 0.977 1014 T CB -0.297 68.530 68.868 -0.067 0.000 1.044 1014 T HN 0.005 nan 8.240 nan 0.000 0.589 1015 N N -0.265 118.313 118.700 -0.204 0.000 2.039 1015 N HA 0.362 5.102 4.740 -0.000 0.000 0.228 1015 N C 0.842 176.266 175.510 -0.143 0.000 1.369 1015 N CA 0.287 53.208 53.050 -0.215 0.000 0.806 1015 N CB 1.146 39.410 38.487 -0.371 0.000 1.190 1015 N HN 0.428 nan 8.380 nan 0.000 0.506 1016 G N 1.306 110.042 108.800 -0.106 0.000 2.248 1016 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.252 1016 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.252 1016 G C -0.387 174.485 174.900 -0.046 0.000 1.085 1016 G CA -0.216 44.846 45.100 -0.063 0.000 0.845 1016 G HN 0.264 nan 8.290 nan 0.000 0.494 1017 I N 0.295 120.841 120.570 -0.040 0.000 2.388 1017 I HA 0.348 4.518 4.170 -0.000 0.000 0.281 1017 I C -0.026 176.168 176.117 0.128 0.000 1.046 1017 I CA -0.784 60.536 61.300 0.033 0.000 1.187 1017 I CB 1.247 39.243 38.000 -0.008 0.000 1.351 1017 I HN -0.103 nan 8.210 nan 0.000 0.472 1018 K N 7.854 128.280 120.400 0.043 0.000 2.138 1018 K HA 0.503 4.823 4.320 -0.000 0.000 0.263 1018 K C -2.392 174.076 176.600 -0.219 0.000 0.965 1018 K CA -1.832 54.434 56.287 -0.036 0.000 0.868 1018 K CB 1.022 33.494 32.500 -0.047 0.000 1.083 1018 K HN 0.182 nan 8.250 nan 0.000 0.443 1019 P HA 0.107 nan 4.420 nan 0.000 0.269 1019 P C -1.048 176.069 177.300 -0.306 0.000 1.215 1019 P CA -0.365 62.327 63.100 -0.681 0.000 0.780 1019 P CB 0.857 32.094 31.700 -0.772 0.000 0.898 1020 K N 1.012 121.280 120.400 -0.219 0.000 2.340 1020 K HA 0.448 4.768 4.320 -0.000 0.000 0.244 1020 K C 0.031 176.480 176.600 -0.251 0.000 0.973 1020 K CA -0.680 55.455 56.287 -0.253 0.000 0.828 1020 K CB 1.336 33.646 32.500 -0.316 0.000 1.226 1020 K HN 0.309 nan 8.250 nan 0.000 0.437 1021 Q N 1.534 121.081 119.800 -0.422 0.000 2.316 1021 Q HA 0.486 4.826 4.340 -0.000 0.000 0.264 1021 Q C -1.007 174.618 176.000 -0.624 0.000 0.987 1021 Q CA -0.510 55.092 55.803 -0.335 0.000 0.852 1021 Q CB 1.342 29.939 28.738 -0.235 0.000 1.287 1021 Q HN 0.422 nan 8.270 nan 0.000 0.448 1022 F N 0.861 120.580 119.950 -0.385 0.000 2.561 1022 F HA 0.501 5.028 4.527 -0.000 0.000 0.321 1022 F C 0.418 175.897 175.800 -0.534 0.000 1.065 1022 F CA -0.765 57.009 58.000 -0.376 0.000 0.934 1022 F CB 1.468 40.361 39.000 -0.178 0.000 1.215 1022 F HN 0.384 nan 8.300 nan 0.000 0.471 1023 H N -0.412 118.764 119.070 0.177 0.000 2.834 1023 H HA 0.334 4.890 4.556 -0.000 0.000 0.369 1023 H C -0.739 174.636 175.328 0.078 0.000 1.174 1023 H CA -1.267 54.840 56.048 0.097 0.000 1.165 1023 H CB 1.641 31.436 29.762 0.054 0.000 1.820 1023 H HN 0.424 nan 8.280 nan 0.000 0.558 1024 K N 1.608 122.125 120.400 0.194 0.000 2.464 1024 K HA -0.222 4.098 4.320 -0.000 0.000 0.265 1024 K C 0.292 176.946 176.600 0.090 0.000 1.055 1024 K CA 0.938 57.289 56.287 0.107 0.000 1.161 1024 K CB 0.250 32.796 32.500 0.077 0.000 0.804 1024 K HN 0.638 nan 8.250 nan 0.000 0.486 1025 K N -0.269 120.169 120.400 0.064 0.000 3.548 1025 K HA -0.214 4.106 4.320 -0.000 0.000 0.296 1025 K C 0.096 176.729 176.600 0.056 0.000 1.324 1025 K CA 1.159 57.477 56.287 0.052 0.000 0.976 1025 K CB -0.735 31.796 32.500 0.051 0.000 1.294 1025 K HN 0.753 nan 8.250 nan 0.000 0.464 1026 E N 0.903 121.150 120.200 0.078 0.000 2.371 1026 E HA 0.207 4.557 4.350 -0.000 0.000 0.257 1026 E C -0.558 176.062 176.600 0.034 0.000 1.134 1026 E CA -0.313 56.146 56.400 0.099 0.000 0.919 1026 E CB 0.557 30.371 29.700 0.189 0.000 1.025 1026 E HN 0.018 nan 8.360 nan 0.000 0.438 1027 L N 5.140 126.389 121.223 0.042 0.000 2.384 1027 L HA 0.228 4.568 4.340 -0.000 0.000 0.261 1027 L C 0.965 177.775 176.870 -0.099 0.000 1.024 1027 L CA 0.046 54.852 54.840 -0.058 0.000 0.899 1027 L CB 0.547 42.601 42.059 -0.009 0.000 1.243 1027 L HN 0.792 nan 8.230 nan 0.000 0.449 1028 I N 2.795 123.166 120.570 -0.332 0.000 2.597 1028 I HA -0.272 3.898 4.170 -0.000 0.000 0.262 1028 I C 0.586 176.584 176.117 -0.198 0.000 1.194 1028 I CA 1.423 62.452 61.300 -0.451 0.000 1.437 1028 I CB -0.333 37.203 38.000 -0.772 0.000 1.096 1028 I HN 0.541 nan 8.210 nan 0.000 0.451 1029 F N 0.002 119.847 119.950 -0.174 0.000 2.829 1029 F HA 0.435 4.962 4.527 -0.000 0.000 0.319 1029 F C -1.517 174.262 175.800 -0.034 0.000 1.153 1029 F CA -2.191 55.724 58.000 -0.142 0.000 0.912 1029 F CB 0.351 39.216 39.000 -0.225 0.000 1.292 1029 F HN 0.005 nan 8.300 nan 0.000 0.447 1030 N N -0.525 118.452 118.700 0.462 0.000 2.416 1030 N HA 0.342 5.081 4.740 -0.000 0.000 0.276 1030 N C -0.354 175.215 175.510 0.097 0.000 1.261 1030 N CA -0.570 52.632 53.050 0.254 0.000 0.790 1030 N CB 1.800 40.403 38.487 0.194 0.000 1.554 1030 N HN 0.782 nan 8.380 nan 0.000 0.481 1031 Q N -0.776 118.891 119.800 -0.223 0.000 2.437 1031 Q HA -0.031 4.309 4.340 -0.000 0.000 0.210 1031 Q C -0.272 175.378 176.000 -0.583 0.000 0.972 1031 Q CA 1.148 56.661 55.803 -0.484 0.000 0.903 1031 Q CB -0.331 27.958 28.738 -0.749 0.000 0.967 1031 Q HN 0.795 nan 8.270 nan 0.000 0.486 1032 W N 0.976 122.286 121.300 0.017 0.000 3.239 1032 W HA 0.296 4.956 4.660 -0.000 0.000 0.348 1032 W C 0.261 176.775 176.519 -0.010 0.000 1.183 1032 W CA -0.931 56.394 57.345 -0.032 0.000 1.819 1032 W CB 0.538 29.992 29.460 -0.010 0.000 1.091 1032 W HN -0.029 nan 8.180 nan 0.000 0.629 1033 D N 1.874 122.365 120.400 0.151 0.000 2.177 1033 D HA 0.114 4.754 4.640 -0.000 0.000 0.247 1033 D C -1.073 175.261 176.300 0.056 0.000 1.063 1033 D CA -1.830 52.255 54.000 0.141 0.000 0.867 1033 D CB 2.408 43.339 40.800 0.219 0.000 1.168 1033 D HN -0.093 nan 8.370 nan 0.000 0.445 1034 P HA 0.011 nan 4.420 nan 0.000 0.239 1034 P C 0.090 177.346 177.300 -0.074 0.000 1.188 1034 P CA 0.068 63.157 63.100 -0.019 0.000 0.794 1034 P CB 0.672 32.366 31.700 -0.009 0.000 0.937 1035 Q N 1.298 121.036 119.800 -0.105 0.000 2.395 1035 Q HA 0.112 4.452 4.340 -0.000 0.000 0.271 1035 Q C 0.207 175.927 176.000 -0.466 0.000 1.026 1035 Q CA 0.719 56.316 55.803 -0.343 0.000 0.900 1035 Q CB 0.444 28.860 28.738 -0.538 0.000 1.266 1035 Q HN 0.210 nan 8.270 nan 0.000 0.430 1036 E N 2.666 122.558 120.200 -0.514 0.000 2.114 1036 E HA 0.305 4.654 4.350 -0.000 0.000 0.266 1036 E C -0.820 175.527 176.600 -0.421 0.000 0.896 1036 E CA -0.373 55.810 56.400 -0.363 0.000 0.750 1036 E CB 0.614 30.194 29.700 -0.200 0.000 1.121 1036 E HN 0.341 nan 8.360 nan 0.000 0.413 1037 Y N -0.041 120.180 120.300 -0.131 0.000 2.602 1037 Y HA 0.449 4.999 4.550 -0.000 0.000 0.330 1037 Y C 0.385 176.271 175.900 -0.024 0.000 1.114 1037 Y CA -1.286 56.785 58.100 -0.047 0.000 1.182 1037 Y CB 1.267 39.730 38.460 0.005 0.000 1.305 1037 Y HN 0.412 nan 8.280 nan 0.000 0.502 1038 C N 3.753 123.199 119.300 0.243 0.000 2.340 1038 C HA 0.703 5.163 4.460 -0.000 0.000 0.323 1038 C C -1.149 174.003 174.990 0.270 0.000 1.260 1038 C CA -0.669 58.469 59.018 0.201 0.000 1.464 1038 C CB -1.347 26.500 27.740 0.178 0.000 2.156 1038 C HN 0.572 nan 8.230 nan 0.000 0.476 1039 I N 6.621 127.348 120.570 0.261 0.000 2.328 1039 I HA 0.271 4.441 4.170 -0.000 0.000 0.287 1039 I C -0.276 176.051 176.117 0.350 0.000 1.012 1039 I CA -0.513 60.944 61.300 0.261 0.000 1.195 1039 I CB 0.809 38.913 38.000 0.173 0.000 1.350 1039 I HN 0.641 nan 8.210 nan 0.000 0.464 1040 F N 8.374 128.485 119.950 0.268 0.000 2.384 1040 F HA 0.337 4.864 4.527 -0.000 0.000 0.359 1040 F C -0.085 175.937 175.800 0.369 0.000 1.143 1040 F CA -1.137 57.071 58.000 0.346 0.000 1.216 1040 F CB 0.528 39.757 39.000 0.381 0.000 1.512 1040 F HN 0.316 nan 8.300 nan 0.000 0.573 1041 L N 6.722 127.931 121.223 -0.024 0.000 2.600 1041 L HA 0.024 4.364 4.340 -0.000 0.000 0.278 1041 L C 0.177 176.907 176.870 -0.233 0.000 1.139 1041 L CA 0.506 55.304 54.840 -0.069 0.000 0.933 1041 L CB -0.279 41.770 42.059 -0.017 0.000 1.266 1041 L HN 0.686 nan 8.230 nan 0.000 0.471 1042 Y N 3.467 123.608 120.300 -0.266 0.000 2.448 1042 Y HA 0.179 4.729 4.550 -0.000 0.000 0.289 1042 Y C 0.539 176.416 175.900 -0.038 0.000 1.114 1042 Y CA 0.628 58.588 58.100 -0.234 0.000 1.235 1042 Y CB 0.467 38.967 38.460 0.068 0.000 1.045 1042 Y HN 0.719 nan 8.280 nan 0.000 0.554 1043 D N -0.660 119.747 120.400 0.011 0.000 2.803 1043 D HA 0.440 5.080 4.640 -0.000 0.000 0.218 1043 D C -0.501 175.823 176.300 0.039 0.000 1.245 1043 D CA 0.674 54.663 54.000 -0.019 0.000 0.821 1043 D CB 1.833 42.657 40.800 0.040 0.000 1.626 1043 D HN 0.425 nan 8.370 nan 0.000 0.487 1044 G N 1.238 110.067 108.800 0.047 0.000 2.434 1044 G HA2 0.045 4.005 3.960 -0.000 0.000 0.671 1044 G HA3 0.045 4.005 3.960 -0.000 0.000 0.671 1044 G C -1.387 173.557 174.900 0.073 0.000 1.280 1044 G CA -0.480 44.657 45.100 0.063 0.000 0.975 1044 G HN 0.556 nan 8.290 nan 0.000 0.510 1045 I N 1.132 121.741 120.570 0.065 0.000 2.608 1045 I HA 0.708 4.878 4.170 -0.000 0.000 0.295 1045 I C 0.525 176.679 176.117 0.061 0.000 1.049 1045 I CA -0.329 61.018 61.300 0.078 0.000 1.063 1045 I CB 2.616 40.653 38.000 0.062 0.000 1.248 1045 I HN 1.076 nan 8.210 nan 0.000 0.424 1046 T N 1.841 116.451 114.554 0.092 0.000 2.841 1046 T HA 0.687 5.037 4.350 -0.000 0.000 0.296 1046 T C -1.183 173.594 174.700 0.129 0.000 1.166 1046 T CA -1.014 61.124 62.100 0.062 0.000 1.007 1046 T CB 2.354 71.212 68.868 -0.017 0.000 1.253 1046 T HN 0.689 nan 8.240 nan 0.000 0.511 1047 K N 1.011 121.431 120.400 0.032 0.000 2.513 1047 K HA 0.607 4.927 4.320 -0.000 0.000 0.251 1047 K C -1.239 175.261 176.600 -0.167 0.000 0.939 1047 K CA -1.086 55.131 56.287 -0.117 0.000 0.793 1047 K CB 2.184 34.586 32.500 -0.163 0.000 1.241 1047 K HN 0.631 nan 8.250 nan 0.000 0.431 1048 L N 3.945 125.051 121.223 -0.195 0.000 2.331 1048 L HA 0.316 4.656 4.340 -0.000 0.000 0.278 1048 L C -0.495 176.228 176.870 -0.245 0.000 1.106 1048 L CA 0.385 55.127 54.840 -0.163 0.000 0.824 1048 L CB 1.089 43.073 42.059 -0.125 0.000 1.142 1048 L HN 1.107 nan 8.230 nan 0.000 0.443 1049 T N 0.762 115.231 114.554 -0.143 0.000 2.901 1049 T HA 0.559 4.909 4.350 -0.000 0.000 0.293 1049 T C -0.673 174.036 174.700 0.015 0.000 1.084 1049 T CA -0.720 61.322 62.100 -0.097 0.000 1.008 1049 T CB 2.029 70.853 68.868 -0.073 0.000 1.170 1049 T HN 0.513 nan 8.240 nan 0.000 0.509 1050 S N 0.809 116.523 115.700 0.024 0.000 2.540 1050 S HA 0.644 5.114 4.470 -0.000 0.000 0.275 1050 S C -1.387 173.242 174.600 0.048 0.000 1.123 1050 S CA -0.936 57.309 58.200 0.075 0.000 0.907 1050 S CB 0.781 64.063 63.200 0.137 0.000 1.081 1050 S HN 0.716 nan 8.310 nan 0.000 0.476 1051 I N 3.910 124.510 120.570 0.051 0.000 2.336 1051 I HA 0.371 4.540 4.170 -0.000 0.000 0.292 1051 I C 0.830 177.005 176.117 0.098 0.000 0.991 1051 I CA -0.402 60.951 61.300 0.087 0.000 1.227 1051 I CB 0.906 39.000 38.000 0.157 0.000 1.366 1051 I HN 0.585 nan 8.210 nan 0.000 0.466 1052 S N 4.563 120.315 115.700 0.087 0.000 2.589 1052 S HA 0.012 4.482 4.470 -0.000 0.000 0.265 1052 S C 1.329 175.994 174.600 0.108 0.000 1.342 1052 S CA -0.545 57.705 58.200 0.083 0.000 1.005 1052 S CB 0.507 63.744 63.200 0.061 0.000 0.909 1052 S HN 0.746 nan 8.310 nan 0.000 0.555 1053 E N 0.759 121.019 120.200 0.099 0.000 2.515 1053 E HA -0.148 4.202 4.350 -0.000 0.000 0.201 1053 E C 0.059 176.709 176.600 0.084 0.000 1.071 1053 E CA 0.797 57.260 56.400 0.106 0.000 0.880 1053 E CB -0.267 29.484 29.700 0.086 0.000 0.828 1053 E HN 0.474 nan 8.360 nan 0.000 0.540 1054 N N 0.457 119.201 118.700 0.074 0.000 2.273 1054 N HA 0.109 4.849 4.740 -0.000 0.000 0.231 1054 N C 0.947 176.495 175.510 0.062 0.000 1.134 1054 N CA 0.512 53.597 53.050 0.058 0.000 0.856 1054 N CB 1.138 39.652 38.487 0.045 0.000 1.068 1054 N HN 0.361 nan 8.380 nan 0.000 0.510 1055 G N 1.073 109.924 108.800 0.086 0.000 2.238 1055 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.270 1055 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.270 1055 G C 0.330 175.276 174.900 0.077 0.000 0.977 1055 G CA 1.122 46.277 45.100 0.092 0.000 0.639 1055 G HN 0.398 nan 8.290 nan 0.000 0.544 1056 T N 2.490 117.082 114.554 0.062 0.000 2.908 1056 T HA 0.435 4.785 4.350 -0.000 0.000 0.301 1056 T C 0.898 175.627 174.700 0.049 0.000 1.019 1056 T CA -0.062 62.067 62.100 0.048 0.000 1.152 1056 T CB 1.353 70.244 68.868 0.038 0.000 0.966 1056 T HN 0.250 nan 8.240 nan 0.000 0.540 1057 I N 3.520 124.114 120.570 0.040 0.000 2.474 1057 I HA 0.222 4.392 4.170 -0.000 0.000 0.287 1057 I C 0.340 176.464 176.117 0.012 0.000 1.048 1057 I CA -0.342 60.977 61.300 0.031 0.000 1.383 1057 I CB 0.502 38.519 38.000 0.028 0.000 1.412 1057 I HN 0.526 nan 8.210 nan 0.000 0.531 1058 M N 5.615 125.214 119.600 -0.002 0.000 1.987 1058 M HA 0.252 4.731 4.480 -0.000 0.000 0.298 1058 M C -0.578 175.677 176.300 -0.074 0.000 0.892 1058 M CA -0.794 54.490 55.300 -0.027 0.000 0.885 1058 M CB 0.489 33.081 32.600 -0.014 0.000 1.469 1058 M HN 0.335 nan 8.290 nan 0.000 0.389 1059 N N 4.010 122.651 118.700 -0.098 0.000 2.416 1059 N HA 0.139 4.879 4.740 -0.000 0.000 0.271 1059 N C 0.988 176.341 175.510 -0.261 0.000 1.245 1059 N CA 0.126 53.053 53.050 -0.205 0.000 0.940 1059 N CB 1.398 39.776 38.487 -0.182 0.000 1.175 1059 N HN 0.637 nan 8.380 nan 0.000 0.483 1060 L N 0.717 121.756 121.223 -0.307 0.000 2.202 1060 L HA 0.047 4.387 4.340 -0.000 0.000 0.205 1060 L C 0.842 177.483 176.870 -0.382 0.000 1.083 1060 L CA 0.768 55.428 54.840 -0.299 0.000 0.790 1060 L CB 0.048 41.925 42.059 -0.304 0.000 0.942 1060 L HN 0.468 nan 8.230 nan 0.000 0.452 1061 Q N -1.658 117.809 119.800 -0.554 0.000 2.575 1061 Q HA 0.407 4.747 4.340 -0.000 0.000 0.290 1061 Q C -1.931 173.500 176.000 -0.949 0.000 0.963 1061 Q CA -0.542 54.859 55.803 -0.670 0.000 0.783 1061 Q CB 1.781 30.127 28.738 -0.654 0.000 1.467 1061 Q HN -0.022 nan 8.270 nan 0.000 0.402 1062 Y N 0.635 120.552 120.300 -0.639 0.000 2.446 1062 Y HA 0.662 5.212 4.550 -0.000 0.000 0.345 1062 Y C -1.135 174.286 175.900 -0.799 0.000 0.984 1062 Y CA -0.482 57.310 58.100 -0.514 0.000 1.058 1062 Y CB 1.851 40.158 38.460 -0.254 0.000 1.220 1062 Y HN 0.540 nan 8.280 nan 0.000 0.455 1063 Y N 1.014 121.265 120.300 -0.082 0.000 2.477 1063 Y HA 0.511 5.061 4.550 -0.000 0.000 0.347 1063 Y C -0.285 175.561 175.900 -0.090 0.000 0.981 1063 Y CA -1.338 56.626 58.100 -0.226 0.000 1.033 1063 Y CB 2.278 40.576 38.460 -0.270 0.000 1.245 1063 Y HN 0.482 nan 8.280 nan 0.000 0.455 1064 K N 0.752 121.195 120.400 0.071 0.000 2.306 1064 K HA 0.816 5.136 4.320 -0.000 0.000 0.236 1064 K C 0.191 176.851 176.600 0.100 0.000 1.013 1064 K CA -0.907 55.443 56.287 0.105 0.000 0.857 1064 K CB 1.597 34.167 32.500 0.118 0.000 1.214 1064 K HN 0.786 nan 8.250 nan 0.000 0.449 1065 G N 0.162 109.004 108.800 0.070 0.000 2.349 1065 G HA2 0.247 4.207 3.960 -0.000 0.000 0.232 1065 G HA3 0.247 4.207 3.960 -0.000 0.000 0.232 1065 G C 0.066 174.970 174.900 0.006 0.000 1.240 1065 G CA 0.341 45.440 45.100 -0.002 0.000 0.870 1065 G HN 1.458 nan 8.290 nan 0.000 0.528 1066 A N 0.489 123.262 122.820 -0.079 0.000 1.758 1066 A HA 0.182 4.502 4.320 -0.000 0.000 0.226 1066 A C -0.280 177.468 177.584 0.273 0.000 1.327 1066 A CA 0.881 52.920 52.037 0.003 0.000 0.681 1066 A CB -1.589 17.441 19.000 0.050 0.000 1.173 1066 A HN 2.328 nan 8.150 nan 0.000 0.234 1067 F N 0.429 120.412 119.950 0.055 0.000 2.822 1067 F HA 0.462 4.989 4.527 -0.000 0.000 0.323 1067 F C -0.483 175.420 175.800 0.171 0.000 1.133 1067 F CA 0.237 58.325 58.000 0.147 0.000 0.941 1067 F CB 0.765 39.825 39.000 0.100 0.000 1.263 1067 F HN 1.518 nan 8.300 nan 0.000 0.451 1068 V N 4.683 124.620 119.914 0.038 0.000 2.815 1068 V HA 0.845 4.965 4.120 -0.000 0.000 0.314 1068 V C -1.252 174.937 176.094 0.159 0.000 1.064 1068 V CA -0.511 61.920 62.300 0.218 0.000 0.952 1068 V CB 1.964 33.903 31.823 0.192 0.000 1.020 1068 V HN 0.668 nan 8.190 nan 0.000 0.439 1069 I N 6.168 126.816 120.570 0.130 0.000 2.517 1069 I HA 0.372 4.541 4.170 -0.000 0.000 0.280 1069 I C -0.214 175.964 176.117 0.100 0.000 1.061 1069 I CA -0.300 61.032 61.300 0.053 0.000 1.091 1069 I CB 1.723 39.660 38.000 -0.105 0.000 1.205 1069 I HN 0.509 nan 8.210 nan 0.000 0.459 1070 M N 4.271 123.907 119.600 0.059 0.000 2.105 1070 M HA 0.187 4.667 4.480 -0.000 0.000 0.350 1070 M C 1.068 177.336 176.300 -0.053 0.000 1.308 1070 M CA -0.116 55.193 55.300 0.014 0.000 1.108 1070 M CB 1.244 33.837 32.600 -0.011 0.000 1.622 1070 M HN 0.634 nan 8.290 nan 0.000 0.468 1071 S N 1.147 116.773 115.700 -0.122 0.000 2.671 1071 S HA 0.360 4.829 4.470 -0.000 0.000 0.220 1071 S C 0.532 174.967 174.600 -0.274 0.000 0.951 1071 S CA -0.117 57.928 58.200 -0.258 0.000 0.932 1071 S CB -0.052 62.805 63.200 -0.571 0.000 0.777 1071 S HN 0.884 nan 8.310 nan 0.000 0.508 1072 G N 0.034 108.682 108.800 -0.253 0.000 2.677 1072 G HA2 0.576 4.536 3.960 -0.000 0.000 0.291 1072 G HA3 0.576 4.536 3.960 -0.000 0.000 0.291 1072 G C -1.209 173.528 174.900 -0.271 0.000 1.435 1072 G CA -0.957 43.971 45.100 -0.287 0.000 0.826 1072 G HN 0.144 nan 8.290 nan 0.000 0.491 1073 F N 0.111 120.044 119.950 -0.029 0.000 2.410 1073 F HA 0.330 4.857 4.527 -0.000 0.000 0.334 1073 F C 1.858 177.651 175.800 -0.011 0.000 1.134 1073 F CA -0.512 57.480 58.000 -0.013 0.000 1.227 1073 F CB 1.146 40.138 39.000 -0.012 0.000 1.194 1073 F HN 0.425 nan 8.300 nan 0.000 0.571 1074 I N -1.534 119.164 120.570 0.213 0.000 2.400 1074 I HA -0.045 4.125 4.170 -0.000 0.000 0.248 1074 I C 1.858 178.040 176.117 0.108 0.000 1.109 1074 I CA 0.877 62.243 61.300 0.110 0.000 1.425 1074 I CB -0.785 37.267 38.000 0.086 0.000 1.094 1074 I HN 0.496 nan 8.210 nan 0.000 0.425 1075 D N 1.679 122.157 120.400 0.130 0.000 2.154 1075 D HA -0.196 4.443 4.640 -0.000 0.000 0.190 1075 D C 1.205 177.535 176.300 0.050 0.000 1.003 1075 D CA 2.234 56.274 54.000 0.067 0.000 0.849 1075 D CB -0.039 40.761 40.800 -0.000 0.000 0.942 1075 D HN 0.482 nan 8.370 nan 0.000 0.446 1076 T N -0.949 113.653 114.554 0.080 0.000 3.460 1076 T HA 0.188 4.538 4.350 -0.000 0.000 0.304 1076 T C -0.020 174.728 174.700 0.080 0.000 0.991 1076 T CA -0.206 61.929 62.100 0.059 0.000 0.975 1076 T CB 0.383 69.266 68.868 0.026 0.000 1.196 1076 T HN 0.165 nan 8.240 nan 0.000 0.490 1077 E N 1.651 121.905 120.200 0.088 0.000 2.808 1077 E HA -0.238 4.112 4.350 -0.000 0.000 0.263 1077 E C 0.472 177.096 176.600 0.039 0.000 1.151 1077 E CA 1.154 57.581 56.400 0.045 0.000 0.750 1077 E CB -1.265 28.436 29.700 0.002 0.000 1.357 1077 E HN 0.761 nan 8.360 nan 0.000 0.439 1078 T N -2.698 111.923 114.554 0.113 0.000 2.922 1078 T HA 0.375 4.725 4.350 -0.000 0.000 0.285 1078 T C 0.269 175.003 174.700 0.056 0.000 1.005 1078 T CA -0.379 61.781 62.100 0.099 0.000 1.061 1078 T CB 2.007 70.961 68.868 0.144 0.000 1.007 1078 T HN 0.063 nan 8.240 nan 0.000 0.502 1079 S N 0.936 116.633 115.700 -0.005 0.000 2.552 1079 S HA 0.045 4.515 4.470 -0.000 0.000 0.289 1079 S C 1.067 175.541 174.600 -0.211 0.000 1.304 1079 S CA -0.219 57.918 58.200 -0.105 0.000 1.063 1079 S CB 0.492 63.697 63.200 0.008 0.000 0.848 1079 S HN 0.813 nan 8.310 nan 0.000 0.499 1080 V N 4.475 124.123 119.914 -0.443 0.000 2.992 1080 V HA 0.483 4.603 4.120 -0.000 0.000 0.250 1080 V C 0.829 176.645 176.094 -0.463 0.000 1.090 1080 V CA 1.644 63.585 62.300 -0.597 0.000 1.101 1080 V CB -0.105 31.219 31.823 -0.833 0.000 0.743 1080 V HN 0.972 nan 8.190 nan 0.000 0.468 1081 G N -1.659 106.761 108.800 -0.634 0.000 2.632 1081 G HA2 0.433 4.393 3.960 -0.000 0.000 0.292 1081 G HA3 0.433 4.393 3.960 -0.000 0.000 0.292 1081 G C -1.837 172.426 174.900 -1.062 0.000 1.465 1081 G CA -0.705 43.767 45.100 -1.047 0.000 0.824 1081 G HN 0.109 nan 8.290 nan 0.000 0.509 1082 Y N 1.484 121.302 120.300 -0.803 0.000 2.518 1082 Y HA 0.540 5.089 4.550 -0.000 0.000 0.344 1082 Y C 0.054 175.695 175.900 -0.433 0.000 0.982 1082 Y CA -0.600 57.182 58.100 -0.530 0.000 1.234 1082 Y CB 0.515 38.760 38.460 -0.358 0.000 1.114 1082 Y HN 0.495 nan 8.280 nan 0.000 0.515 1083 Y N 0.545 120.897 120.300 0.087 0.000 2.965 1083 Y HA 0.482 5.031 4.550 -0.000 0.000 0.310 1083 Y C -0.378 175.623 175.900 0.168 0.000 1.480 1083 Y CA -1.696 56.463 58.100 0.099 0.000 1.094 1083 Y CB 1.576 40.137 38.460 0.167 0.000 1.377 1083 Y HN 0.344 nan 8.280 nan 0.000 0.514 1084 N N 0.848 119.722 118.700 0.290 0.000 2.324 1084 N HA 0.300 5.040 4.740 -0.000 0.000 0.285 1084 N C -2.265 173.028 175.510 -0.362 0.000 1.076 1084 N CA -0.526 52.520 53.050 -0.008 0.000 0.864 1084 N CB 2.908 41.377 38.487 -0.030 0.000 1.632 1084 N HN 0.411 nan 8.380 nan 0.000 0.478 1085 L N 1.573 122.218 121.223 -0.964 0.000 2.297 1085 L HA 0.363 4.703 4.340 -0.000 0.000 0.277 1085 L C 0.152 176.718 176.870 -0.506 0.000 1.040 1085 L CA -0.183 54.150 54.840 -0.846 0.000 0.867 1085 L CB 0.329 41.558 42.059 -1.383 0.000 1.244 1085 L HN 0.524 nan 8.230 nan 0.000 0.433 1086 E N 3.550 123.585 120.200 -0.276 0.000 2.175 1086 E HA 0.385 4.735 4.350 -0.000 0.000 0.278 1086 E C -1.076 175.457 176.600 -0.112 0.000 0.969 1086 E CA -0.789 55.513 56.400 -0.164 0.000 0.796 1086 E CB 1.620 31.270 29.700 -0.084 0.000 1.104 1086 E HN 0.414 nan 8.360 nan 0.000 0.395 1087 V N 6.343 126.200 119.914 -0.095 0.000 2.637 1087 V HA 0.039 4.159 4.120 -0.000 0.000 0.296 1087 V C 1.138 177.239 176.094 0.011 0.000 1.046 1087 V CA 0.463 62.736 62.300 -0.046 0.000 1.066 1087 V CB 1.015 32.826 31.823 -0.020 0.000 0.968 1087 V HN 0.790 nan 8.190 nan 0.000 0.483 1088 I N 2.172 122.759 120.570 0.028 0.000 4.032 1088 I HA 0.049 4.218 4.170 -0.000 0.000 0.313 1088 I C 1.344 177.478 176.117 0.027 0.000 1.272 1088 I CA 0.373 61.695 61.300 0.037 0.000 1.307 1088 I CB 0.614 38.646 38.000 0.054 0.000 1.155 1088 I HN 0.762 nan 8.210 nan 0.000 0.431 1089 S N 0.055 115.775 115.700 0.033 0.000 2.686 1089 S HA 0.240 4.709 4.470 -0.000 0.000 0.270 1089 S C 1.048 175.689 174.600 0.067 0.000 1.194 1089 S CA -0.566 57.654 58.200 0.033 0.000 0.990 1089 S CB 1.564 64.787 63.200 0.038 0.000 1.029 1089 S HN 0.026 nan 8.310 nan 0.000 0.560 1090 E N 0.920 121.163 120.200 0.072 0.000 1.997 1090 E HA -0.084 4.266 4.350 -0.000 0.000 0.201 1090 E C 0.935 177.669 176.600 0.223 0.000 1.011 1090 E CA 1.365 57.831 56.400 0.110 0.000 0.847 1090 E CB -0.488 29.257 29.700 0.076 0.000 0.787 1090 E HN 0.736 nan 8.360 nan 0.000 0.472 1091 Q N -0.997 118.922 119.800 0.199 0.000 2.189 1091 Q HA 0.566 4.906 4.340 -0.000 0.000 0.193 1091 Q C -0.831 175.235 176.000 0.111 0.000 1.034 1091 Q CA -0.421 55.510 55.803 0.213 0.000 1.062 1091 Q CB 1.431 30.274 28.738 0.176 0.000 1.118 1091 Q HN 0.279 nan 8.270 nan 0.000 0.569 1092 A N 0.286 123.152 122.820 0.076 0.000 2.573 1092 A HA 0.398 4.718 4.320 -0.000 0.000 0.312 1092 A C -1.259 176.402 177.584 0.128 0.000 1.041 1092 A CA -0.649 51.438 52.037 0.085 0.000 0.880 1092 A CB 1.050 20.087 19.000 0.061 0.000 1.249 1092 A HN 0.425 nan 8.150 nan 0.000 0.385 1093 T N 1.672 116.306 114.554 0.133 0.000 2.809 1093 T HA 0.766 5.116 4.350 -0.000 0.000 0.284 1093 T C -0.050 174.740 174.700 0.149 0.000 0.992 1093 T CA 0.410 62.595 62.100 0.142 0.000 0.957 1093 T CB 1.371 70.341 68.868 0.170 0.000 0.942 1093 T HN 1.845 nan 8.240 nan 0.000 0.439 1094 A N 2.854 125.752 122.820 0.131 0.000 2.454 1094 A HA 0.793 5.113 4.320 -0.000 0.000 0.302 1094 A C -1.861 175.757 177.584 0.058 0.000 1.079 1094 A CA -0.754 51.370 52.037 0.145 0.000 0.731 1094 A CB 1.173 20.202 19.000 0.049 0.000 1.299 1094 A HN 0.773 nan 8.150 nan 0.000 0.413 1095 Y N 1.225 121.652 120.300 0.212 0.000 2.587 1095 Y HA 0.404 4.954 4.550 -0.000 0.000 0.328 1095 Y C 0.161 176.176 175.900 0.193 0.000 0.980 1095 Y CA -0.600 57.615 58.100 0.192 0.000 1.272 1095 Y CB 1.233 39.816 38.460 0.206 0.000 1.094 1095 Y HN 0.358 nan 8.280 nan 0.000 0.503 1096 V N 5.814 125.875 119.914 0.245 0.000 2.521 1096 V HA 0.174 4.294 4.120 -0.000 0.000 0.286 1096 V C 0.224 176.460 176.094 0.237 0.000 1.034 1096 V CA -0.092 62.352 62.300 0.240 0.000 1.045 1096 V CB 0.208 32.155 31.823 0.206 0.000 0.974 1096 V HN 0.531 nan 8.190 nan 0.000 0.480 1097 I N 4.759 125.483 120.570 0.256 0.000 2.534 1097 I HA 0.393 4.562 4.170 -0.000 0.000 0.288 1097 I C 0.105 176.318 176.117 0.161 0.000 1.077 1097 I CA -0.820 60.587 61.300 0.178 0.000 1.051 1097 I CB 1.917 40.000 38.000 0.138 0.000 1.234 1097 I HN 0.496 nan 8.210 nan 0.000 0.425 1098 K N 3.450 123.903 120.400 0.088 0.000 2.414 1098 K HA 0.074 4.394 4.320 -0.000 0.000 0.272 1098 K C 1.047 177.642 176.600 -0.009 0.000 0.993 1098 K CA -0.180 56.103 56.287 -0.007 0.000 0.964 1098 K CB 1.178 33.656 32.500 -0.038 0.000 0.925 1098 K HN 0.476 nan 8.250 nan 0.000 0.487 1099 I N 3.411 123.950 120.570 -0.053 0.000 2.118 1099 I HA -0.387 3.783 4.170 -0.000 0.000 0.241 1099 I C 1.645 177.747 176.117 -0.025 0.000 1.070 1099 I CA 2.072 63.353 61.300 -0.033 0.000 1.327 1099 I CB -0.428 37.537 38.000 -0.057 0.000 1.034 1099 I HN 0.773 nan 8.210 nan 0.000 0.405 1100 N N 0.099 118.779 118.700 -0.033 0.000 2.166 1100 N HA -0.217 4.523 4.740 -0.000 0.000 0.186 1100 N C 1.646 177.141 175.510 -0.024 0.000 1.019 1100 N CA 1.725 54.759 53.050 -0.027 0.000 0.856 1100 N CB -0.707 37.763 38.487 -0.027 0.000 0.993 1100 N HN 0.521 nan 8.380 nan 0.000 0.426 1101 E N 0.265 120.453 120.200 -0.020 0.000 2.051 1101 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 1101 E C 1.854 178.443 176.600 -0.017 0.000 0.991 1101 E CA 0.714 57.102 56.400 -0.019 0.000 0.799 1101 E CB -0.221 29.471 29.700 -0.014 0.000 0.748 1101 E HN 0.290 nan 8.360 nan 0.000 0.449 1102 L N 1.915 123.137 121.223 -0.002 0.000 2.013 1102 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 1102 L C 2.274 179.120 176.870 -0.040 0.000 1.073 1102 L CA 1.939 56.787 54.840 0.014 0.000 0.753 1102 L CB -0.563 41.520 42.059 0.039 0.000 0.890 1102 L HN 0.076 nan 8.230 nan 0.000 0.432 1103 K N -0.222 120.137 120.400 -0.067 0.000 2.103 1103 K HA -0.273 4.047 4.320 -0.000 0.000 0.207 1103 K C 2.032 178.570 176.600 -0.102 0.000 1.048 1103 K CA 2.019 58.234 56.287 -0.121 0.000 0.930 1103 K CB -0.040 32.417 32.500 -0.072 0.000 0.716 1103 K HN 0.497 nan 8.250 nan 0.000 0.444 1104 E N 0.449 120.621 120.200 -0.047 0.000 2.051 1104 E HA -0.120 4.230 4.350 -0.000 0.000 0.189 1104 E C 1.897 178.504 176.600 0.013 0.000 0.979 1104 E CA 0.669 57.057 56.400 -0.020 0.000 0.803 1104 E CB -0.000 29.692 29.700 -0.013 0.000 0.761 1104 E HN 0.298 nan 8.360 nan 0.000 0.451 1105 L N 1.032 122.273 121.223 0.030 0.000 2.450 1105 L HA -0.149 4.191 4.340 -0.000 0.000 0.224 1105 L C 2.196 179.221 176.870 0.258 0.000 1.149 1105 L CA 0.435 55.356 54.840 0.136 0.000 0.816 1105 L CB -0.382 41.715 42.059 0.064 0.000 0.932 1105 L HN 0.264 nan 8.230 nan 0.000 0.449 1106 L N -1.375 119.879 121.223 0.052 0.000 2.145 1106 L HA -0.033 4.306 4.340 -0.000 0.000 0.201 1106 L C 2.668 179.535 176.870 -0.004 0.000 1.075 1106 L CA 0.548 55.352 54.840 -0.061 0.000 0.773 1106 L CB -0.443 41.286 42.059 -0.549 0.000 0.936 1106 L HN 0.120 nan 8.230 nan 0.000 0.451 1107 S N 0.222 115.915 115.700 -0.012 0.000 2.387 1107 S HA -0.162 4.308 4.470 -0.000 0.000 0.230 1107 S C 1.900 176.529 174.600 0.047 0.000 1.035 1107 S CA 1.217 59.444 58.200 0.044 0.000 1.014 1107 S CB -0.174 63.043 63.200 0.029 0.000 0.836 1107 S HN 0.307 nan 8.310 nan 0.000 0.466 1108 K N 1.123 121.565 120.400 0.069 0.000 2.148 1108 K HA 0.094 4.414 4.320 -0.000 0.000 0.204 1108 K C 0.681 177.302 176.600 0.035 0.000 1.050 1108 K CA 0.569 56.903 56.287 0.079 0.000 0.942 1108 K CB -0.267 32.324 32.500 0.152 0.000 0.724 1108 K HN 0.253 nan 8.250 nan 0.000 0.446 1109 N N 1.010 119.710 118.700 -0.000 0.000 2.609 1109 N HA 0.047 4.787 4.740 -0.000 0.000 0.268 1109 N C 0.441 175.843 175.510 -0.180 0.000 1.106 1109 N CA -0.098 52.859 53.050 -0.155 0.000 0.823 1109 N CB 0.902 39.164 38.487 -0.374 0.000 1.263 1109 N HN -0.202 nan 8.380 nan 0.000 0.533 1110 L N 1.832 122.927 121.223 -0.212 0.000 2.261 1110 L HA -0.074 4.266 4.340 -0.000 0.000 0.216 1110 L C 1.964 178.448 176.870 -0.643 0.000 1.114 1110 L CA 1.264 55.856 54.840 -0.414 0.000 0.777 1110 L CB -1.437 40.320 42.059 -0.503 0.000 0.910 1110 L HN 0.481 nan 8.230 nan 0.000 0.440 1111 T N -1.408 112.914 114.554 -0.386 0.000 2.674 1111 T HA -0.202 4.147 4.350 -0.000 0.000 0.265 1111 T C 1.792 176.402 174.700 -0.149 0.000 1.039 1111 T CA 1.576 63.540 62.100 -0.227 0.000 1.150 1111 T CB -0.293 68.372 68.868 -0.338 0.000 0.864 1111 T HN 0.480 nan 8.240 nan 0.000 0.427 1112 H N -0.613 118.392 119.070 -0.109 0.000 2.457 1112 H HA 0.114 4.670 4.556 -0.000 0.000 0.294 1112 H C 1.966 177.296 175.328 0.004 0.000 1.064 1112 H CA 0.900 56.904 56.048 -0.074 0.000 1.330 1112 H CB -0.187 29.536 29.762 -0.064 0.000 1.395 1112 H HN 0.339 nan 8.280 nan 0.000 0.541 1113 F N 0.417 120.294 119.950 -0.122 0.000 2.134 1113 F HA -0.279 4.248 4.527 -0.000 0.000 0.299 1113 F C 1.442 177.219 175.800 -0.038 0.000 1.097 1113 F CA 0.545 58.464 58.000 -0.135 0.000 1.264 1113 F CB -0.027 38.797 39.000 -0.293 0.000 1.001 1113 F HN 0.067 nan 8.300 nan 0.000 0.479 1114 F N -0.210 119.828 119.950 0.148 0.000 2.134 1114 F HA -0.221 4.306 4.527 -0.000 0.000 0.299 1114 F C 2.213 178.068 175.800 0.092 0.000 1.097 1114 F CA 1.160 59.160 58.000 0.001 0.000 1.264 1114 F CB -1.713 37.230 39.000 -0.094 0.000 1.001 1114 F HN 0.099 nan 8.300 nan 0.000 0.479 1115 Y N 0.695 121.086 120.300 0.152 0.000 2.114 1115 Y HA -0.249 4.301 4.550 -0.000 0.000 0.282 1115 Y C 2.336 178.206 175.900 -0.049 0.000 1.165 1115 Y CA 1.652 59.755 58.100 0.005 0.000 1.148 1115 Y CB -0.826 37.560 38.460 -0.123 0.000 0.972 1115 Y HN -0.122 nan 8.280 nan 0.000 0.504 1116 V N -0.000 119.789 119.914 -0.209 0.000 2.358 1116 V HA -0.282 3.837 4.120 -0.000 0.000 0.246 1116 V C 2.234 178.285 176.094 -0.072 0.000 1.047 1116 V CA 2.028 64.161 62.300 -0.278 0.000 1.035 1116 V CB -1.082 30.677 31.823 -0.106 0.000 0.658 1116 V HN 0.517 nan 8.190 nan 0.000 0.452 1117 F N 0.576 120.531 119.950 0.008 0.000 2.126 1117 F HA -0.277 4.250 4.527 -0.000 0.000 0.299 1117 F C 2.653 178.429 175.800 -0.041 0.000 1.096 1117 F CA 2.352 60.377 58.000 0.043 0.000 1.255 1117 F CB -0.114 38.946 39.000 0.099 0.000 0.997 1117 F HN 0.117 nan 8.300 nan 0.000 0.479 1118 Q N -0.276 119.642 119.800 0.197 0.000 2.119 1118 Q HA -0.206 4.133 4.340 -0.000 0.000 0.201 1118 Q C 2.162 178.106 176.000 -0.093 0.000 0.972 1118 Q CA 2.180 58.024 55.803 0.068 0.000 0.847 1118 Q CB -0.273 28.476 28.738 0.020 0.000 0.903 1118 Q HN 0.568 nan 8.270 nan 0.000 0.433 1119 T N -0.943 113.434 114.554 -0.295 0.000 2.833 1119 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 1119 T C 1.755 176.344 174.700 -0.185 0.000 1.054 1119 T CA 0.864 62.702 62.100 -0.437 0.000 1.135 1119 T CB -0.176 68.141 68.868 -0.919 0.000 0.869 1119 T HN 0.140 nan 8.240 nan 0.000 0.466 1120 L N 1.448 122.580 121.223 -0.152 0.000 2.027 1120 L HA 0.057 4.397 4.340 -0.000 0.000 0.206 1120 L C 2.942 179.801 176.870 -0.018 0.000 1.074 1120 L CA 1.666 56.457 54.840 -0.082 0.000 0.745 1120 L CB -1.061 40.873 42.059 -0.208 0.000 0.898 1120 L HN 0.367 nan 8.230 nan 0.000 0.433 1121 Q N -1.086 118.684 119.800 -0.049 0.000 2.181 1121 Q HA -0.275 4.065 4.340 -0.000 0.000 0.205 1121 Q C 2.148 178.240 176.000 0.153 0.000 0.980 1121 Q CA 1.396 57.222 55.803 0.037 0.000 0.862 1121 Q CB -0.126 28.652 28.738 0.067 0.000 0.905 1121 Q HN 0.266 nan 8.270 nan 0.000 0.429 1122 K N 1.155 121.662 120.400 0.179 0.000 1.991 1122 K HA -0.175 4.145 4.320 -0.000 0.000 0.212 1122 K C 2.033 178.905 176.600 0.455 0.000 1.049 1122 K CA 1.608 58.114 56.287 0.364 0.000 0.932 1122 K CB -0.056 32.660 32.500 0.360 0.000 0.717 1122 K HN 0.194 nan 8.250 nan 0.000 0.441 1123 Q N -0.396 119.607 119.800 0.338 0.000 2.124 1123 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 1123 Q C 2.049 178.163 176.000 0.190 0.000 0.977 1123 Q CA 1.513 57.458 55.803 0.236 0.000 0.850 1123 Q CB -0.114 28.763 28.738 0.232 0.000 0.901 1123 Q HN 0.096 nan 8.270 nan 0.000 0.429 1124 V N 1.250 121.262 119.914 0.163 0.000 2.261 1124 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 1124 V C 2.497 178.680 176.094 0.148 0.000 1.047 1124 V CA 2.149 64.520 62.300 0.118 0.000 1.015 1124 V CB -0.857 31.015 31.823 0.081 0.000 0.642 1124 V HN 0.503 nan 8.190 nan 0.000 0.446 1125 S N -0.717 115.127 115.700 0.240 0.000 2.399 1125 S HA -0.284 4.186 4.470 -0.000 0.000 0.231 1125 S C 1.969 176.670 174.600 0.168 0.000 1.022 1125 S CA 1.813 60.193 58.200 0.299 0.000 0.983 1125 S CB -0.818 62.662 63.200 0.466 0.000 0.803 1125 S HN 0.664 nan 8.310 nan 0.000 0.480 1126 Y N 2.463 122.651 120.300 -0.187 0.000 2.163 1126 Y HA -0.047 4.503 4.550 -0.000 0.000 0.288 1126 Y C 2.605 178.269 175.900 -0.393 0.000 1.136 1126 Y CA 1.574 59.170 58.100 -0.839 0.000 1.147 1126 Y CB -0.680 37.218 38.460 -0.935 0.000 0.987 1126 Y HN 0.278 nan 8.280 nan 0.000 0.509 1127 S N 0.529 116.208 115.700 -0.035 0.000 2.382 1127 S HA -0.169 4.301 4.470 -0.000 0.000 0.228 1127 S C 1.988 176.565 174.600 -0.040 0.000 1.027 1127 S CA 1.561 59.729 58.200 -0.052 0.000 0.991 1127 S CB -0.518 62.692 63.200 0.016 0.000 0.823 1127 S HN 0.458 nan 8.310 nan 0.000 0.469 1128 L N 0.865 122.091 121.223 0.006 0.000 2.093 1128 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 1128 L C 2.741 179.663 176.870 0.088 0.000 1.085 1128 L CA 1.135 56.031 54.840 0.093 0.000 0.755 1128 L CB -0.633 41.484 42.059 0.097 0.000 0.904 1128 L HN 0.312 nan 8.230 nan 0.000 0.435 1129 A N -0.069 122.728 122.820 -0.037 0.000 1.873 1129 A HA -0.225 4.095 4.320 -0.000 0.000 0.215 1129 A C 2.366 179.878 177.584 -0.120 0.000 1.186 1129 A CA 1.672 53.675 52.037 -0.058 0.000 0.616 1129 A CB -0.367 18.572 19.000 -0.101 0.000 0.823 1129 A HN 0.250 nan 8.150 nan 0.000 0.442 1130 K N -1.639 118.596 120.400 -0.274 0.000 2.063 1130 K HA -0.151 4.168 4.320 -0.000 0.000 0.208 1130 K C 1.756 178.352 176.600 -0.007 0.000 1.048 1130 K CA 1.678 57.829 56.287 -0.227 0.000 0.928 1130 K CB -0.319 31.965 32.500 -0.359 0.000 0.713 1130 K HN 0.464 nan 8.250 nan 0.000 0.442 1131 F N 2.361 122.263 119.950 -0.080 0.000 2.171 1131 F HA -0.217 4.310 4.527 -0.000 0.000 0.300 1131 F C 2.051 177.889 175.800 0.063 0.000 1.090 1131 F CA 1.439 59.447 58.000 0.013 0.000 1.293 1131 F CB -0.384 38.612 39.000 -0.005 0.000 1.013 1131 F HN 0.129 nan 8.300 nan 0.000 0.486 1132 N N 0.499 119.156 118.700 -0.071 0.000 2.080 1132 N HA -0.198 4.542 4.740 -0.000 0.000 0.189 1132 N C 1.374 176.795 175.510 -0.149 0.000 1.036 1132 N CA 1.938 54.904 53.050 -0.139 0.000 0.846 1132 N CB -0.469 38.017 38.487 -0.002 0.000 1.015 1132 N HN 0.216 nan 8.380 nan 0.000 0.423 1133 D N -0.112 120.245 120.400 -0.071 0.000 2.182 1133 D HA -0.129 4.511 4.640 -0.000 0.000 0.201 1133 D C 1.507 177.774 176.300 -0.055 0.000 0.986 1133 D CA 0.579 54.551 54.000 -0.047 0.000 0.847 1133 D CB -0.453 40.339 40.800 -0.012 0.000 0.942 1133 D HN 0.351 nan 8.370 nan 0.000 0.467 1134 F N 1.159 120.999 119.950 -0.183 0.000 2.187 1134 F HA -0.062 4.465 4.527 -0.000 0.000 0.295 1134 F C 2.299 177.973 175.800 -0.211 0.000 1.091 1134 F CA 0.896 58.794 58.000 -0.171 0.000 1.308 1134 F CB -0.164 38.744 39.000 -0.154 0.000 1.030 1134 F HN -0.207 nan 8.300 nan 0.000 0.487 1135 S N 0.812 116.264 115.700 -0.413 0.000 2.419 1135 S HA -0.135 4.335 4.470 -0.000 0.000 0.233 1135 S C 2.076 176.466 174.600 -0.351 0.000 1.016 1135 S CA 1.620 59.552 58.200 -0.447 0.000 0.974 1135 S CB -0.395 62.510 63.200 -0.493 0.000 0.786 1135 S HN 0.412 nan 8.310 nan 0.000 0.492 1136 I N 1.057 121.460 120.570 -0.279 0.000 2.429 1136 I HA 0.020 4.190 4.170 -0.000 0.000 0.247 1136 I C 0.862 176.869 176.117 -0.183 0.000 1.099 1136 I CA 0.704 61.892 61.300 -0.188 0.000 1.422 1136 I CB -0.042 37.888 38.000 -0.118 0.000 1.112 1136 I HN 0.161 nan 8.210 nan 0.000 0.430 1137 N N 0.820 119.402 118.700 -0.196 0.000 2.235 1137 N HA 0.212 4.952 4.740 -0.000 0.000 0.231 1137 N C 0.719 176.071 175.510 -0.264 0.000 1.177 1137 N CA 0.586 53.540 53.050 -0.160 0.000 0.874 1137 N CB 0.940 39.416 38.487 -0.018 0.000 1.097 1137 N HN 0.355 nan 8.380 nan 0.000 0.518 1138 G N 2.208 110.693 108.800 -0.525 0.000 2.574 1138 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.295 1138 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.295 1138 G C 0.995 175.765 174.900 -0.218 0.000 1.300 1138 G CA 0.218 44.899 45.100 -0.700 0.000 0.944 1138 G HN 0.155 nan 8.290 nan 0.000 0.551 1139 K N -0.394 120.033 120.400 0.045 0.000 2.113 1139 K HA -0.045 4.274 4.320 -0.000 0.000 0.208 1139 K C 2.507 179.140 176.600 0.055 0.000 1.047 1139 K CA 1.571 57.960 56.287 0.169 0.000 0.928 1139 K CB -0.587 31.982 32.500 0.115 0.000 0.716 1139 K HN 0.463 nan 8.250 nan 0.000 0.446 1140 L N 0.352 121.553 121.223 -0.036 0.000 2.127 1140 L HA -0.142 4.198 4.340 -0.000 0.000 0.211 1140 L C 1.883 178.723 176.870 -0.050 0.000 1.089 1140 L CA 2.159 56.950 54.840 -0.082 0.000 0.757 1140 L CB -1.138 40.806 42.059 -0.193 0.000 0.899 1140 L HN 0.197 nan 8.230 nan 0.000 0.434 1141 G N -1.270 107.515 108.800 -0.025 0.000 2.394 1141 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.215 1141 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.215 1141 G C 1.601 176.535 174.900 0.058 0.000 1.165 1141 G CA 0.710 45.823 45.100 0.021 0.000 0.784 1141 G HN 0.470 nan 8.290 nan 0.000 0.535 1142 S N 0.933 116.699 115.700 0.111 0.000 2.351 1142 S HA -0.107 4.363 4.470 -0.000 0.000 0.220 1142 S C 2.296 176.920 174.600 0.040 0.000 1.035 1142 S CA 1.064 59.318 58.200 0.090 0.000 1.031 1142 S CB -0.236 63.036 63.200 0.120 0.000 0.928 1142 S HN 0.202 nan 8.310 nan 0.000 0.433 1143 I N 1.594 122.183 120.570 0.032 0.000 2.194 1143 I HA -0.207 3.963 4.170 -0.000 0.000 0.246 1143 I C 2.474 178.588 176.117 -0.006 0.000 1.093 1143 I CA 0.872 62.173 61.300 0.002 0.000 1.355 1143 I CB -1.840 36.154 38.000 -0.009 0.000 1.046 1143 I HN 0.354 nan 8.210 nan 0.000 0.413 1144 C N 0.860 120.171 119.300 0.017 0.000 2.435 1144 C HA -0.029 4.430 4.460 -0.000 0.000 0.279 1144 C C 2.993 177.989 174.990 0.010 0.000 1.321 1144 C CA 0.818 59.856 59.018 0.033 0.000 1.752 1144 C CB -1.629 26.161 27.740 0.083 0.000 1.959 1144 C HN 0.655 nan 8.230 nan 0.000 0.500 1145 G N -0.488 108.322 108.800 0.016 0.000 2.394 1145 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.214 1145 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.214 1145 G C 1.466 176.381 174.900 0.026 0.000 1.176 1145 G CA 1.001 46.112 45.100 0.018 0.000 0.786 1145 G HN 0.526 nan 8.290 nan 0.000 0.533 1146 Q N 0.190 120.001 119.800 0.018 0.000 2.062 1146 Q HA -0.087 4.253 4.340 -0.000 0.000 0.209 1146 Q C 2.512 178.513 176.000 0.001 0.000 0.996 1146 Q CA 1.540 57.355 55.803 0.019 0.000 0.859 1146 Q CB -0.494 28.240 28.738 -0.006 0.000 0.920 1146 Q HN 0.494 nan 8.270 nan 0.000 0.415 1147 L N -0.515 120.683 121.223 -0.042 0.000 2.093 1147 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 1147 L C 2.266 179.080 176.870 -0.094 0.000 1.085 1147 L CA 0.555 55.346 54.840 -0.081 0.000 0.755 1147 L CB -0.508 41.477 42.059 -0.123 0.000 0.904 1147 L HN 0.338 nan 8.230 nan 0.000 0.435 1148 L N 0.910 122.066 121.223 -0.112 0.000 1.994 1148 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 1148 L C 2.406 179.074 176.870 -0.338 0.000 1.071 1148 L CA 1.912 56.586 54.840 -0.277 0.000 0.745 1148 L CB -0.490 41.428 42.059 -0.237 0.000 0.892 1148 L HN 0.270 nan 8.230 nan 0.000 0.431 1149 I N -4.020 116.536 120.570 -0.025 0.000 2.252 1149 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 1149 I C 2.306 178.537 176.117 0.190 0.000 1.102 1149 I CA 1.063 62.503 61.300 0.233 0.000 1.385 1149 I CB -0.703 37.638 38.000 0.568 0.000 1.064 1149 I HN 0.204 nan 8.210 nan 0.000 0.414 1150 L N 1.669 122.978 121.223 0.144 0.000 2.013 1150 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 1150 L C 2.772 179.733 176.870 0.151 0.000 1.073 1150 L CA 2.366 57.330 54.840 0.208 0.000 0.753 1150 L CB -1.422 40.708 42.059 0.118 0.000 0.890 1150 L HN 0.333 nan 8.230 nan 0.000 0.432 1151 T N -1.610 112.952 114.554 0.013 0.000 2.607 1151 T HA -0.268 4.082 4.350 -0.000 0.000 0.267 1151 T C 1.860 176.594 174.700 0.056 0.000 1.049 1151 T CA 1.818 63.908 62.100 -0.016 0.000 1.162 1151 T CB -0.567 68.216 68.868 -0.141 0.000 0.863 1151 T HN 0.321 nan 8.240 nan 0.000 0.424 1152 Y N 0.365 120.564 120.300 -0.168 0.000 2.165 1152 Y HA -0.165 4.385 4.550 -0.000 0.000 0.286 1152 Y C 2.716 178.566 175.900 -0.083 0.000 1.155 1152 Y CA 0.369 58.308 58.100 -0.268 0.000 1.164 1152 Y CB -0.172 37.775 38.460 -0.855 0.000 0.978 1152 Y HN 0.046 nan 8.280 nan 0.000 0.513 1153 V N -1.899 118.106 119.914 0.153 0.000 2.379 1153 V HA -0.244 3.876 4.120 -0.000 0.000 0.243 1153 V C 0.855 176.778 176.094 -0.284 0.000 1.035 1153 V CA 1.622 63.880 62.300 -0.070 0.000 1.035 1153 V CB -0.468 31.224 31.823 -0.218 0.000 0.673 1153 V HN 0.333 nan 8.190 nan 0.000 0.457 1154 Y N 0.321 120.681 120.300 0.099 0.000 2.467 1154 Y HA 0.528 5.078 4.550 -0.000 0.000 0.250 1154 Y C 1.378 177.291 175.900 0.021 0.000 1.155 1154 Y CA -0.296 57.835 58.100 0.052 0.000 1.249 1154 Y CB -0.140 38.342 38.460 0.037 0.000 1.146 1154 Y HN 0.213 nan 8.280 nan 0.000 0.524 1155 G N 1.120 109.997 108.800 0.128 0.000 2.415 1155 G HA2 0.482 4.442 3.960 -0.000 0.000 0.269 1155 G HA3 0.482 4.442 3.960 -0.000 0.000 0.269 1155 G C -0.418 174.505 174.900 0.038 0.000 1.209 1155 G CA -0.510 44.627 45.100 0.063 0.000 0.835 1155 G HN -0.143 nan 8.290 nan 0.000 0.534 1156 K N 1.883 122.290 120.400 0.011 0.000 2.443 1156 K HA 0.257 4.577 4.320 -0.000 0.000 0.252 1156 K C -0.307 176.301 176.600 0.013 0.000 0.933 1156 K CA -0.680 55.614 56.287 0.013 0.000 0.792 1156 K CB 2.764 35.273 32.500 0.015 0.000 1.185 1156 K HN 0.678 nan 8.250 nan 0.000 0.425 1157 E N 1.568 121.780 120.200 0.020 0.000 2.415 1157 E HA 0.042 4.392 4.350 -0.000 0.000 0.263 1157 E C -0.046 176.583 176.600 0.047 0.000 0.995 1157 E CA 0.678 57.097 56.400 0.031 0.000 0.915 1157 E CB 0.601 30.312 29.700 0.019 0.000 0.951 1157 E HN 0.633 nan 8.360 nan 0.000 0.449 1158 T N 0.237 114.837 114.554 0.076 0.000 2.841 1158 T HA 0.378 4.728 4.350 -0.000 0.000 0.296 1158 T C -2.405 172.343 174.700 0.080 0.000 1.166 1158 T CA -1.738 60.418 62.100 0.093 0.000 1.007 1158 T CB 1.515 70.485 68.868 0.169 0.000 1.253 1158 T HN 0.071 nan 8.240 nan 0.000 0.511 1159 P HA 0.231 nan 4.420 nan 0.000 0.252 1159 P C 0.089 177.398 177.300 0.014 0.000 1.265 1159 P CA 0.443 63.560 63.100 0.027 0.000 0.775 1159 P CB 0.047 31.754 31.700 0.011 0.000 1.128 1160 D N -2.040 118.389 120.400 0.047 0.000 2.479 1160 D HA 0.217 4.857 4.640 -0.000 0.000 0.216 1160 D C 1.322 177.689 176.300 0.113 0.000 1.110 1160 D CA 0.675 54.670 54.000 -0.008 0.000 0.841 1160 D CB 1.401 42.058 40.800 -0.237 0.000 1.040 1160 D HN 0.152 nan 8.370 nan 0.000 0.505 1161 G N 1.160 110.061 108.800 0.168 0.000 2.204 1161 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.153 1161 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.153 1161 G C -1.354 173.634 174.900 0.146 0.000 1.295 1161 G CA -0.740 44.452 45.100 0.152 0.000 1.257 1161 G HN 0.072 nan 8.290 nan 0.000 0.495 1162 I N 1.849 122.489 120.570 0.118 0.000 2.420 1162 I HA 0.354 4.524 4.170 -0.000 0.000 0.282 1162 I C 0.200 176.271 176.117 -0.077 0.000 1.019 1162 I CA -0.513 60.805 61.300 0.031 0.000 1.130 1162 I CB 1.763 39.773 38.000 0.017 0.000 1.262 1162 I HN 0.418 nan 8.210 nan 0.000 0.454 1163 K N 6.582 126.851 120.400 -0.218 0.000 2.339 1163 K HA 0.287 4.606 4.320 -0.000 0.000 0.286 1163 K C -0.224 176.230 176.600 -0.242 0.000 1.050 1163 K CA -0.572 55.385 56.287 -0.551 0.000 0.956 1163 K CB 0.758 32.865 32.500 -0.656 0.000 0.990 1163 K HN 0.438 nan 8.250 nan 0.000 0.475 1164 I N 5.046 125.505 120.570 -0.184 0.000 2.389 1164 I HA -0.009 4.161 4.170 -0.000 0.000 0.295 1164 I C 0.272 176.357 176.117 -0.054 0.000 1.117 1164 I CA 0.232 61.518 61.300 -0.023 0.000 1.317 1164 I CB 0.129 38.177 38.000 0.080 0.000 1.431 1164 I HN 0.571 nan 8.210 nan 0.000 0.521 1165 T N 7.559 122.108 114.554 -0.008 0.000 4.508 1165 T HA 0.276 4.626 4.350 -0.000 0.000 0.232 1165 T C 0.372 175.044 174.700 -0.046 0.000 1.027 1165 T CA 0.096 62.187 62.100 -0.015 0.000 0.999 1165 T CB -0.362 68.532 68.868 0.044 0.000 1.402 1165 T HN 0.298 nan 8.240 nan 0.000 1.003 1166 L N 1.384 122.541 121.223 -0.110 0.000 2.362 1166 L HA 0.392 4.732 4.340 -0.000 0.000 0.271 1166 L C -0.623 176.164 176.870 -0.137 0.000 1.002 1166 L CA -1.233 53.476 54.840 -0.220 0.000 0.818 1166 L CB 1.919 43.800 42.059 -0.297 0.000 1.298 1166 L HN 0.217 nan 8.230 nan 0.000 0.420 1167 D N 2.366 122.681 120.400 -0.141 0.000 2.570 1167 D HA -0.096 4.544 4.640 -0.000 0.000 0.243 1167 D C 1.015 177.278 176.300 -0.061 0.000 1.171 1167 D CA 0.379 54.329 54.000 -0.083 0.000 0.879 1167 D CB 0.368 41.123 40.800 -0.075 0.000 1.143 1167 D HN 0.514 nan 8.370 nan 0.000 0.511 1168 N N 2.289 120.966 118.700 -0.039 0.000 2.513 1168 N HA -0.189 4.551 4.740 -0.000 0.000 0.187 1168 N C 1.109 176.615 175.510 -0.005 0.000 1.056 1168 N CA 0.878 53.921 53.050 -0.012 0.000 0.907 1168 N CB -0.117 38.366 38.487 -0.006 0.000 0.954 1168 N HN 0.467 nan 8.380 nan 0.000 0.445 1169 L N -1.433 119.780 121.223 -0.017 0.000 2.616 1169 L HA 0.214 4.554 4.340 -0.000 0.000 0.229 1169 L C 1.149 178.008 176.870 -0.018 0.000 1.110 1169 L CA 0.307 55.139 54.840 -0.012 0.000 0.884 1169 L CB 0.187 42.240 42.059 -0.009 0.000 1.115 1169 L HN 0.187 nan 8.230 nan 0.000 0.481 1170 T N -0.678 113.854 114.554 -0.037 0.000 3.040 1170 T HA 0.070 4.420 4.350 -0.000 0.000 0.252 1170 T C 1.967 176.630 174.700 -0.062 0.000 1.064 1170 T CA 0.279 62.347 62.100 -0.052 0.000 1.110 1170 T CB 0.163 68.979 68.868 -0.086 0.000 0.921 1170 T HN 0.047 nan 8.240 nan 0.000 0.480 1171 M N 2.001 121.574 119.600 -0.045 0.000 2.279 1171 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 1171 M C 2.340 178.636 176.300 -0.008 0.000 1.062 1171 M CA 1.438 56.727 55.300 -0.018 0.000 1.099 1171 M CB -0.967 31.660 32.600 0.044 0.000 1.394 1171 M HN 0.395 nan 8.290 nan 0.000 0.426 1172 Q N 0.011 119.807 119.800 -0.007 0.000 2.230 1172 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 1172 Q C 1.100 177.100 176.000 0.001 0.000 0.963 1172 Q CA 1.199 57.002 55.803 -0.001 0.000 0.866 1172 Q CB -0.576 28.161 28.738 -0.001 0.000 0.931 1172 Q HN 0.311 nan 8.270 nan 0.000 0.452 1173 E N 0.335 120.530 120.200 -0.009 0.000 2.365 1173 E HA 0.221 4.571 4.350 -0.000 0.000 0.188 1173 E C -0.363 176.229 176.600 -0.014 0.000 1.102 1173 E CA 0.160 56.566 56.400 0.011 0.000 0.927 1173 E CB -0.013 29.696 29.700 0.015 0.000 1.073 1173 E HN 0.422 nan 8.360 nan 0.000 0.467 1185 A N 2.045 124.869 122.820 0.007 0.000 2.032 1185 A HA 0.026 4.346 4.320 -0.000 0.000 0.221 1185 A C 2.035 179.621 177.584 0.003 0.000 1.165 1185 A CA 2.185 54.225 52.037 0.005 0.000 0.645 1185 A CB -1.179 17.827 19.000 0.011 0.000 0.807 1185 A HN 0.844 nan 8.150 nan 0.000 0.453 1186 V N 0.129 120.047 119.914 0.006 0.000 2.428 1186 V HA -0.321 3.798 4.120 -0.000 0.000 0.255 1186 V C 2.693 178.786 176.094 -0.002 0.000 1.080 1186 V CA 2.437 64.739 62.300 0.003 0.000 1.083 1186 V CB -0.946 30.880 31.823 0.006 0.000 0.665 1186 V HN 0.616 nan 8.190 nan 0.000 0.461 1187 S N -1.046 114.654 115.700 -0.001 0.000 2.387 1187 S HA -0.146 4.324 4.470 -0.000 0.000 0.226 1187 S C 2.077 176.673 174.600 -0.005 0.000 1.026 1187 S CA 1.126 59.325 58.200 -0.002 0.000 0.972 1187 S CB -0.311 62.886 63.200 -0.006 0.000 0.814 1187 S HN 0.526 nan 8.310 nan 0.000 0.477 1188 R N 0.687 121.183 120.500 -0.007 0.000 2.091 1188 R HA -0.029 4.311 4.340 -0.000 0.000 0.238 1188 R C 2.109 178.400 176.300 -0.016 0.000 1.136 1188 R CA 1.402 57.496 56.100 -0.010 0.000 0.959 1188 R CB -0.386 29.908 30.300 -0.010 0.000 0.856 1188 R HN 0.407 nan 8.270 nan 0.000 0.437 1189 I N 0.380 120.940 120.570 -0.017 0.000 2.233 1189 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 1189 I C 2.080 178.180 176.117 -0.030 0.000 1.093 1189 I CA 0.779 62.064 61.300 -0.024 0.000 1.380 1189 I CB -0.212 37.775 38.000 -0.022 0.000 1.067 1189 I HN 0.142 nan 8.210 nan 0.000 0.413 1190 I N 0.569 121.124 120.570 -0.026 0.000 2.286 1190 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 1190 I C 2.615 178.730 176.117 -0.003 0.000 1.115 1190 I CA 1.494 62.778 61.300 -0.026 0.000 1.392 1190 I CB -1.146 36.858 38.000 0.008 0.000 1.065 1190 I HN 0.192 nan 8.210 nan 0.000 0.418 1191 S N 0.577 116.276 115.700 -0.002 0.000 2.355 1191 S HA -0.188 4.282 4.470 -0.000 0.000 0.222 1191 S C 2.006 176.595 174.600 -0.018 0.000 1.031 1191 S CA 1.216 59.415 58.200 -0.001 0.000 0.993 1191 S CB -0.191 63.007 63.200 -0.005 0.000 0.859 1191 S HN 0.396 nan 8.310 nan 0.000 0.453 1192 K N 1.375 121.758 120.400 -0.028 0.000 2.020 1192 K HA -0.151 4.169 4.320 -0.000 0.000 0.212 1192 K C 2.025 178.578 176.600 -0.078 0.000 1.050 1192 K CA 1.396 57.658 56.287 -0.042 0.000 0.929 1192 K CB -0.419 32.059 32.500 -0.037 0.000 0.714 1192 K HN 0.281 nan 8.250 nan 0.000 0.443 1193 L N 0.796 121.964 121.223 -0.092 0.000 2.012 1193 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 1193 L C 2.581 179.375 176.870 -0.127 0.000 1.073 1193 L CA 1.740 56.482 54.840 -0.164 0.000 0.748 1193 L CB -0.512 41.468 42.059 -0.131 0.000 0.891 1193 L HN 0.232 nan 8.230 nan 0.000 0.431 1194 K N -0.309 120.065 120.400 -0.044 0.000 2.032 1194 K HA -0.277 4.043 4.320 -0.000 0.000 0.209 1194 K C 2.133 178.714 176.600 -0.031 0.000 1.048 1194 K CA 1.731 58.017 56.287 -0.001 0.000 0.927 1194 K CB -0.231 32.297 32.500 0.046 0.000 0.712 1194 K HN 0.140 nan 8.250 nan 0.000 0.441 1195 Q N 1.729 121.506 119.800 -0.039 0.000 2.045 1195 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 1195 Q C 1.134 177.098 176.000 -0.061 0.000 0.991 1195 Q CA 1.868 57.647 55.803 -0.040 0.000 0.851 1195 Q CB -0.030 28.687 28.738 -0.035 0.000 0.911 1195 Q HN 0.316 nan 8.270 nan 0.000 0.418 1196 E N 0.073 120.209 120.200 -0.107 0.000 2.512 1196 E HA -0.032 4.318 4.350 -0.000 0.000 0.195 1196 E C -0.367 176.143 176.600 -0.150 0.000 1.083 1196 E CA 0.243 56.561 56.400 -0.136 0.000 0.873 1196 E CB 0.082 29.652 29.700 -0.216 0.000 0.897 1196 E HN 0.318 nan 8.360 nan 0.000 0.514 1197 K N -0.794 119.539 120.400 -0.112 0.000 3.230 1197 K HA -0.200 4.120 4.320 -0.000 0.000 0.285 1197 K C 0.928 177.463 176.600 -0.109 0.000 1.196 1197 K CA 0.349 56.587 56.287 -0.080 0.000 0.838 1197 K CB -2.034 30.434 32.500 -0.052 0.000 1.262 1197 K HN 0.046 nan 8.250 nan 0.000 0.492 1198 V N 0.474 120.269 119.914 -0.199 0.000 2.283 1198 V HA -0.077 4.043 4.120 -0.000 0.000 0.243 1198 V C 1.528 177.573 176.094 -0.081 0.000 1.039 1198 V CA 2.012 64.180 62.300 -0.219 0.000 1.016 1198 V CB -0.381 31.172 31.823 -0.449 0.000 0.650 1198 V HN 0.466 nan 8.190 nan 0.000 0.449 1199 I N -1.267 119.273 120.570 -0.049 0.000 3.264 1199 I HA 0.827 4.997 4.170 -0.000 0.000 0.309 1199 I C -0.919 175.282 176.117 0.140 0.000 1.099 1199 I CA -1.064 60.268 61.300 0.052 0.000 0.989 1199 I CB 2.212 40.208 38.000 -0.007 0.000 1.250 1199 I HN -0.042 nan 8.210 nan 0.000 0.478 1200 V N -0.149 119.938 119.914 0.287 0.000 2.924 1200 V HA 0.461 4.581 4.120 -0.000 0.000 0.300 1200 V C -2.021 174.325 176.094 0.420 0.000 1.227 1200 V CA -0.607 61.858 62.300 0.275 0.000 0.954 1200 V CB 1.407 33.304 31.823 0.122 0.000 1.055 1200 V HN 0.832 nan 8.190 nan 0.000 0.429 1201 Y N 3.947 124.350 120.300 0.172 0.000 2.385 1201 Y HA 0.771 5.321 4.550 -0.000 0.000 0.341 1201 Y C 0.036 175.933 175.900 -0.004 0.000 0.965 1201 Y CA -0.159 57.929 58.100 -0.020 0.000 1.180 1201 Y CB 1.194 39.536 38.460 -0.196 0.000 1.139 1201 Y HN 0.945 nan 8.280 nan 0.000 0.502 1202 K N 5.011 125.251 120.400 -0.267 0.000 2.565 1202 K HA 0.305 4.625 4.320 -0.000 0.000 0.251 1202 K C -0.929 175.581 176.600 -0.149 0.000 0.956 1202 K CA -0.499 55.680 56.287 -0.181 0.000 0.809 1202 K CB 0.727 33.098 32.500 -0.215 0.000 1.267 1202 K HN 0.755 nan 8.250 nan 0.000 0.438 1203 N N 2.419 121.022 118.700 -0.162 0.000 2.816 1203 N HA -0.153 4.587 4.740 -0.000 0.000 0.247 1203 N C -1.062 174.333 175.510 -0.192 0.000 1.100 1203 N CA 1.348 54.333 53.050 -0.109 0.000 0.687 1203 N CB -1.717 36.763 38.487 -0.012 0.000 1.003 1203 N HN 0.785 nan 8.380 nan 0.000 0.554 1204 S N -2.470 113.027 115.700 -0.339 0.000 3.635 1204 S HA -0.233 4.237 4.470 -0.000 0.000 0.328 1204 S C 0.052 174.361 174.600 -0.485 0.000 1.135 1204 S CA 1.064 59.067 58.200 -0.328 0.000 0.942 1204 S CB -1.556 61.585 63.200 -0.099 0.000 0.930 1204 S HN 0.706 nan 8.310 nan 0.000 0.512 1205 C N -0.055 118.762 119.300 -0.805 0.000 3.170 1205 C HA 0.677 5.136 4.460 -0.000 0.000 0.319 1205 C C -0.482 174.161 174.990 -0.578 0.000 1.260 1205 C CA -1.009 57.673 59.018 -0.561 0.000 1.374 1205 C CB 1.105 28.639 27.740 -0.343 0.000 1.739 1205 C HN 0.429 nan 8.230 nan 0.000 0.479 1206 F N 1.642 121.460 119.950 -0.221 0.000 2.394 1206 F HA 0.560 5.087 4.527 -0.000 0.000 0.340 1206 F C -0.181 175.523 175.800 -0.159 0.000 1.105 1206 F CA -0.093 57.891 58.000 -0.027 0.000 1.124 1206 F CB 0.645 39.683 39.000 0.063 0.000 1.145 1206 F HN 0.453 nan 8.300 nan 0.000 0.505 1207 Y N 2.099 122.530 120.300 0.219 0.000 2.326 1207 Y HA 0.478 5.028 4.550 -0.000 0.000 0.331 1207 Y C -0.417 175.533 175.900 0.083 0.000 0.962 1207 Y CA -1.108 57.052 58.100 0.100 0.000 1.167 1207 Y CB 1.448 39.934 38.460 0.043 0.000 1.148 1207 Y HN 0.162 nan 8.280 nan 0.000 0.463 1208 V N 4.804 124.806 119.914 0.145 0.000 2.461 1208 V HA 0.119 4.239 4.120 -0.000 0.000 0.275 1208 V C 0.341 176.481 176.094 0.077 0.000 1.047 1208 V CA 0.092 62.435 62.300 0.072 0.000 0.955 1208 V CB 1.356 33.185 31.823 0.011 0.000 0.988 1208 V HN 0.873 nan 8.190 nan 0.000 0.471 1209 Q N 2.867 122.699 119.800 0.053 0.000 2.246 1209 Q HA 0.227 4.567 4.340 -0.000 0.000 0.222 1209 Q C 0.233 176.245 176.000 0.020 0.000 0.851 1209 Q CA -0.031 55.796 55.803 0.039 0.000 0.945 1209 Q CB 0.606 29.363 28.738 0.032 0.000 1.122 1209 Q HN 0.656 nan 8.270 nan 0.000 0.508 1210 N N 0.948 119.658 118.700 0.016 0.000 2.750 1210 N HA 0.092 4.832 4.740 -0.000 0.000 0.253 1210 N C -0.240 175.310 175.510 0.066 0.000 1.408 1210 N CA -0.081 52.991 53.050 0.037 0.000 0.780 1210 N CB 1.015 39.514 38.487 0.021 0.000 1.191 1210 N HN 0.074 nan 8.380 nan 0.000 0.511 1211 L N 1.357 122.602 121.223 0.036 0.000 2.201 1211 L HA 0.117 4.457 4.340 -0.000 0.000 0.212 1211 L C 1.163 178.051 176.870 0.030 0.000 1.105 1211 L CA 1.799 56.645 54.840 0.011 0.000 0.775 1211 L CB 0.019 42.067 42.059 -0.018 0.000 0.913 1211 L HN 0.397 nan 8.230 nan 0.000 0.440 1212 D N -1.584 118.847 120.400 0.052 0.000 2.224 1212 D HA -0.231 4.409 4.640 -0.000 0.000 0.205 1212 D C 1.755 178.096 176.300 0.069 0.000 0.965 1212 D CA 1.203 55.229 54.000 0.044 0.000 0.852 1212 D CB -0.010 40.812 40.800 0.036 0.000 0.947 1212 D HN 0.479 nan 8.370 nan 0.000 0.494 1213 Y N 1.922 122.225 120.300 0.004 0.000 2.163 1213 Y HA -0.148 4.402 4.550 -0.000 0.000 0.288 1213 Y C 2.300 178.251 175.900 0.085 0.000 1.136 1213 Y CA 1.198 59.334 58.100 0.059 0.000 1.147 1213 Y CB -0.270 38.247 38.460 0.095 0.000 0.987 1213 Y HN -0.144 nan 8.280 nan 0.000 0.509 1214 L N 0.035 121.398 121.223 0.234 0.000 2.017 1214 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 1214 L C 2.303 179.178 176.870 0.007 0.000 1.073 1214 L CA 1.835 56.744 54.840 0.114 0.000 0.745 1214 L CB -0.636 41.442 42.059 0.031 0.000 0.894 1214 L HN 0.150 nan 8.230 nan 0.000 0.432 1215 K N -0.413 119.980 120.400 -0.012 0.000 2.209 1215 K HA -0.175 4.145 4.320 -0.000 0.000 0.204 1215 K C 2.270 178.825 176.600 -0.075 0.000 1.048 1215 K CA 0.857 57.142 56.287 -0.003 0.000 0.940 1215 K CB -0.130 32.396 32.500 0.044 0.000 0.729 1215 K HN 0.189 nan 8.250 nan 0.000 0.451 1216 R N 0.042 120.426 120.500 -0.193 0.000 2.075 1216 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 1216 R C 1.019 176.975 176.300 -0.573 0.000 1.126 1216 R CA 1.447 57.286 56.100 -0.434 0.000 0.963 1216 R CB 0.061 29.956 30.300 -0.676 0.000 0.858 1216 R HN 0.235 nan 8.270 nan 0.000 0.435 1217 Y N -1.400 118.772 120.300 -0.213 0.000 2.468 1217 Y HA 0.350 4.900 4.550 -0.000 0.000 0.268 1217 Y C 0.441 176.275 175.900 -0.110 0.000 1.177 1217 Y CA 0.093 58.077 58.100 -0.194 0.000 1.265 1217 Y CB 1.028 39.318 38.460 -0.284 0.000 1.103 1217 Y HN 0.074 nan 8.280 nan 0.000 0.522 1218 A N -0.678 122.152 122.820 0.017 0.000 3.365 1218 A HA 0.412 4.731 4.320 -0.000 0.000 0.258 1218 A C -2.209 175.401 177.584 0.044 0.000 0.964 1218 A CA -0.979 51.077 52.037 0.033 0.000 0.988 1218 A CB 0.126 19.150 19.000 0.040 0.000 1.193 1218 A HN 0.027 nan 8.150 nan 0.000 0.508 1219 P HA -0.181 nan 4.420 nan 0.000 0.211 1219 P C 1.572 178.923 177.300 0.085 0.000 1.179 1219 P CA 1.318 64.436 63.100 0.030 0.000 0.910 1219 P CB 0.336 32.025 31.700 -0.017 0.000 0.785 1220 K N -0.339 120.103 120.400 0.069 0.000 2.103 1220 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 1220 K C 2.054 178.770 176.600 0.192 0.000 1.048 1220 K CA 1.109 57.461 56.287 0.109 0.000 0.930 1220 K CB -1.302 31.239 32.500 0.068 0.000 0.716 1220 K HN 0.039 nan 8.250 nan 0.000 0.444 1221 L N 0.382 121.704 121.223 0.164 0.000 2.093 1221 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 1221 L C 1.668 178.834 176.870 0.493 0.000 1.085 1221 L CA 1.869 56.861 54.840 0.255 0.000 0.755 1221 L CB -0.446 41.690 42.059 0.128 0.000 0.904 1221 L HN 0.292 nan 8.230 nan 0.000 0.435 1222 D N -0.141 120.487 120.400 0.381 0.000 2.097 1222 D HA -0.255 4.385 4.640 -0.000 0.000 0.197 1222 D C 2.045 178.631 176.300 0.477 0.000 0.984 1222 D CA 1.404 55.706 54.000 0.503 0.000 0.826 1222 D CB 0.134 41.154 40.800 0.367 0.000 0.973 1222 D HN 0.317 nan 8.370 nan 0.000 0.460 1223 E N -0.826 119.551 120.200 0.294 0.000 2.033 1223 E HA -0.223 4.127 4.350 -0.000 0.000 0.199 1223 E C 2.109 178.867 176.600 0.263 0.000 1.011 1223 E CA 1.287 57.802 56.400 0.192 0.000 0.815 1223 E CB -0.543 29.245 29.700 0.148 0.000 0.755 1223 E HN 0.463 nan 8.360 nan 0.000 0.451 1224 W N 0.432 121.836 121.300 0.174 0.000 2.304 1224 W HA -0.277 4.383 4.660 -0.000 0.000 0.315 1224 W C 1.971 178.603 176.519 0.189 0.000 1.233 1224 W CA 2.212 59.652 57.345 0.158 0.000 1.261 1224 W CB -0.719 28.835 29.460 0.156 0.000 1.150 1224 W HN 0.178 nan 8.180 nan 0.000 0.494 1225 F N -0.811 119.318 119.950 0.299 0.000 2.134 1225 F HA -0.231 4.296 4.527 -0.000 0.000 0.299 1225 F C 2.502 178.241 175.800 -0.102 0.000 1.097 1225 F CA 2.212 60.295 58.000 0.138 0.000 1.264 1225 F CB -1.018 38.403 39.000 0.700 0.000 1.001 1225 F HN 0.022 nan 8.300 nan 0.000 0.479 1226 Y N 0.251 120.467 120.300 -0.140 0.000 2.224 1226 Y HA -0.209 4.341 4.550 -0.000 0.000 0.289 1226 Y C 1.788 177.437 175.900 -0.418 0.000 1.146 1226 Y CA 1.665 59.344 58.100 -0.703 0.000 1.182 1226 Y CB -0.314 37.361 38.460 -1.308 0.000 0.983 1226 Y HN 0.017 nan 8.280 nan 0.000 0.524 1227 L N -0.660 120.330 121.223 -0.390 0.000 2.341 1227 L HA 0.071 4.411 4.340 -0.000 0.000 0.214 1227 L C 2.232 178.837 176.870 -0.442 0.000 1.115 1227 L CA 0.814 55.398 54.840 -0.426 0.000 0.820 1227 L CB -0.319 41.619 42.059 -0.202 0.000 0.944 1227 L HN 0.342 nan 8.230 nan 0.000 0.452 1228 A N -2.249 120.212 122.820 -0.597 0.000 2.324 1228 A HA 0.145 4.465 4.320 -0.000 0.000 0.220 1228 A C 0.902 178.196 177.584 -0.484 0.000 1.209 1228 A CA 0.020 51.691 52.037 -0.609 0.000 0.918 1228 A CB 0.106 18.507 19.000 -0.999 0.000 0.959 1228 A HN 0.429 nan 8.150 nan 0.000 0.507 1229 C N -0.227 118.826 119.300 -0.412 0.000 3.327 1229 C HA 0.304 4.764 4.460 -0.000 0.000 0.192 1229 C C -1.707 173.266 174.990 -0.029 0.000 1.603 1229 C CA -0.729 58.170 59.018 -0.198 0.000 1.222 1229 C CB 0.119 27.719 27.740 -0.233 0.000 1.981 1229 C HN 0.330 nan 8.230 nan 0.000 0.563 1230 P HA -0.256 nan 4.420 nan 0.000 0.217 1230 P C 1.705 179.051 177.300 0.077 0.000 1.158 1230 P CA 2.702 65.746 63.100 -0.094 0.000 0.887 1230 P CB 0.277 31.860 31.700 -0.196 0.000 0.792 1231 A N -1.050 121.795 122.820 0.041 0.000 1.829 1231 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 1231 A C 2.322 179.949 177.584 0.072 0.000 1.207 1231 A CA 2.965 55.034 52.037 0.054 0.000 0.622 1231 A CB -1.936 17.083 19.000 0.032 0.000 0.846 1231 A HN 0.155 nan 8.150 nan 0.000 0.447 1232 T N -1.511 113.097 114.554 0.089 0.000 2.594 1232 T HA -0.303 4.046 4.350 -0.000 0.000 0.266 1232 T C 1.418 176.070 174.700 -0.081 0.000 1.070 1232 T CA 2.147 64.291 62.100 0.073 0.000 1.166 1232 T CB -0.551 68.479 68.868 0.270 0.000 0.862 1232 T HN 0.647 nan 8.240 nan 0.000 0.436 1233 W N 1.428 122.600 121.300 -0.214 0.000 2.301 1233 W HA -0.195 4.465 4.660 -0.000 0.000 0.325 1233 W C 2.586 178.927 176.519 -0.297 0.000 1.250 1233 W CA 1.783 58.847 57.345 -0.468 0.000 1.261 1233 W CB -0.998 28.404 29.460 -0.097 0.000 1.157 1233 W HN 0.317 nan 8.180 nan 0.000 0.473 1234 G N -0.088 108.795 108.800 0.139 0.000 2.450 1234 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 1234 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 1234 G C 1.343 176.161 174.900 -0.137 0.000 1.130 1234 G CA 0.876 45.995 45.100 0.031 0.000 0.760 1234 G HN 0.311 nan 8.290 nan 0.000 0.557 1235 K N -0.226 120.096 120.400 -0.130 0.000 2.643 1235 K HA 0.209 4.528 4.320 -0.000 0.000 0.193 1235 K C 0.980 177.492 176.600 -0.146 0.000 1.027 1235 K CA 0.247 56.470 56.287 -0.107 0.000 1.033 1235 K CB -0.035 32.426 32.500 -0.066 0.000 0.827 1235 K HN 0.353 nan 8.250 nan 0.000 0.500 1236 L N -1.345 119.727 121.223 -0.252 0.000 3.617 1236 L HA 0.112 4.451 4.340 -0.000 0.000 0.336 1236 L C -0.386 176.310 176.870 -0.289 0.000 1.141 1236 L CA -0.102 54.608 54.840 -0.216 0.000 1.225 1236 L CB 0.459 42.424 42.059 -0.157 0.000 1.725 1236 L HN 0.053 nan 8.230 nan 0.000 0.621 1237 N N 0.000 118.414 118.700 -0.477 0.000 1.763 1237 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1237 N CA 0.000 52.743 53.050 -0.512 0.000 0.885 1237 N CB 0.000 37.743 38.487 -1.240 0.000 1.341 1237 N HN 0.000 nan 8.380 nan 0.000 0.667