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 1djo_1_A DATA FIRST_RESID 1008 DATA SEQUENCE KLANVVILAT GGTIAGAGAS AANSATYQAA KVGVDKLIAG VPELADLANV DATA SEQUENCE RGEQVMQIAS ESITNDDLLK LGKRVAELAD SNDVDGIVIT HGTDTLEETA DATA SEQUENCE YFLNLVQKTD KPIVVVGSMR PGTAMSADGM LNLYNAVAVA SNKDSRGKGV DATA SEQUENCE LVTMNDEIQS GRDVSKSINI KTEAFKSAWG PLGMVVEGKS YWFRLPAKRH DATA SEQUENCE TVNSEFDIKQ ISSLPQVDIA YSYGNVTDTA YKALAQNGAK ALIHAGTGNG DATA SEQUENCE SVSSRVVPAL QQLRKNGTQI IRSSHVNQGG FVLRNAEQPD DKNDWVVAHD DATA SEQUENCE LNPEKARILA MVAMTKTQDS KELQRIFWEY 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 1008 K HA 0.000 nan 4.320 nan 0.000 0.191 1008 K C 0.000 176.597 176.600 -0.005 0.000 0.988 1008 K CA 0.000 56.285 56.287 -0.004 0.000 0.838 1008 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 1009 L N 2.273 123.493 121.223 -0.005 0.000 2.436 1009 L HA 0.582 4.922 4.340 0.000 0.000 0.265 1009 L C 0.368 177.233 176.870 -0.009 0.000 1.168 1009 L CA -0.477 54.358 54.840 -0.007 0.000 0.815 1009 L CB 1.191 43.247 42.059 -0.006 0.000 1.109 1009 L HN 0.584 nan 8.230 nan 0.000 0.462 1010 A N 2.434 125.246 122.820 -0.013 0.000 2.332 1010 A HA 0.264 4.584 4.320 0.000 0.000 0.258 1010 A C -0.261 177.317 177.584 -0.010 0.000 1.087 1010 A CA -0.530 51.500 52.037 -0.012 0.000 0.802 1010 A CB 0.087 19.078 19.000 -0.015 0.000 1.042 1010 A HN 0.768 nan 8.150 nan 0.000 0.489 1011 N N 0.635 119.331 118.700 -0.007 0.000 2.457 1011 N HA 0.425 5.165 4.740 0.000 0.000 0.250 1011 N C -1.275 174.232 175.510 -0.005 0.000 0.982 1011 N CA -0.062 52.985 53.050 -0.005 0.000 0.941 1011 N CB 1.583 40.069 38.487 -0.002 0.000 1.120 1011 N HN 0.298 nan 8.380 nan 0.000 0.505 1012 V N 2.355 122.265 119.914 -0.006 0.000 2.540 1012 V HA 0.410 4.530 4.120 0.000 0.000 0.302 1012 V C 0.146 176.240 176.094 -0.001 0.000 1.035 1012 V CA -0.848 61.448 62.300 -0.005 0.000 0.873 1012 V CB 2.198 34.013 31.823 -0.014 0.000 0.992 1012 V HN 0.240 nan 8.190 nan 0.000 0.428 1013 V N 5.717 125.634 119.914 0.004 0.000 2.483 1013 V HA 0.511 4.631 4.120 0.000 0.000 0.295 1013 V C -0.143 175.957 176.094 0.010 0.000 1.035 1013 V CA -0.483 61.822 62.300 0.008 0.000 0.896 1013 V CB 1.851 33.680 31.823 0.011 0.000 0.986 1013 V HN 0.668 nan 8.190 nan 0.000 0.447 1014 I N 5.509 126.086 120.570 0.011 0.000 2.330 1014 I HA 0.365 4.535 4.170 0.000 0.000 0.289 1014 I C -0.542 175.587 176.117 0.019 0.000 1.001 1014 I CA -0.318 60.991 61.300 0.014 0.000 1.193 1014 I CB 1.266 39.273 38.000 0.012 0.000 1.345 1014 I HN 0.367 nan 8.210 nan 0.000 0.461 1015 L N 6.842 128.080 121.223 0.025 0.000 2.259 1015 L HA 0.538 4.878 4.340 0.000 0.000 0.288 1015 L C 0.511 177.399 176.870 0.031 0.000 1.051 1015 L CA -0.433 54.424 54.840 0.030 0.000 0.824 1015 L CB 1.009 43.092 42.059 0.039 0.000 1.206 1015 L HN 0.617 nan 8.230 nan 0.000 0.429 1016 A N 1.927 124.759 122.820 0.021 0.000 2.363 1016 A HA 0.532 4.852 4.320 0.000 0.000 0.270 1016 A C 0.878 178.466 177.584 0.006 0.000 1.121 1016 A CA -0.016 52.030 52.037 0.015 0.000 0.800 1016 A CB 0.562 19.567 19.000 0.008 0.000 1.052 1016 A HN 0.812 nan 8.150 nan 0.000 0.493 1017 T N -1.102 113.447 114.554 -0.008 0.000 3.016 1017 T HA 0.534 4.884 4.350 0.000 0.000 0.271 1017 T C 0.956 175.611 174.700 -0.075 0.000 0.968 1017 T CA 1.102 63.174 62.100 -0.047 0.000 0.891 1017 T CB -0.201 68.619 68.868 -0.080 0.000 1.149 1017 T HN 2.502 nan 8.240 nan 0.000 0.524 1018 G N 0.526 109.297 108.800 -0.047 0.000 2.395 1018 G HA2 0.413 4.373 3.960 0.000 0.000 0.201 1018 G HA3 0.413 4.373 3.960 0.000 0.000 0.201 1018 G C 0.360 175.242 174.900 -0.030 0.000 1.206 1018 G CA 0.124 45.201 45.100 -0.039 0.000 1.210 1018 G HN 1.954 nan 8.290 nan 0.000 0.557 1019 G N -2.806 105.982 108.800 -0.019 0.000 2.698 1019 G HA2 0.244 4.204 3.960 0.000 0.000 0.225 1019 G HA3 0.244 4.204 3.960 0.000 0.000 0.225 1019 G C 0.808 175.719 174.900 0.019 0.000 1.345 1019 G CA 0.837 45.947 45.100 0.015 0.000 0.871 1019 G HN 1.884 nan 8.290 nan 0.000 0.540 1020 T N 0.181 114.728 114.554 -0.011 0.000 2.985 1020 T HA 0.055 4.405 4.350 0.000 0.000 0.266 1020 T C 2.450 177.038 174.700 -0.187 0.000 1.076 1020 T CA 1.359 63.338 62.100 -0.202 0.000 1.135 1020 T CB -0.112 68.525 68.868 -0.385 0.000 0.890 1020 T HN 0.584 nan 8.240 nan 0.000 0.480 1021 I N 1.046 121.563 120.570 -0.089 0.000 2.423 1021 I HA -0.137 4.033 4.170 0.000 0.000 0.254 1021 I C 1.864 177.949 176.117 -0.054 0.000 1.151 1021 I CA 0.931 62.192 61.300 -0.065 0.000 1.421 1021 I CB -0.087 37.897 38.000 -0.027 0.000 1.079 1021 I HN 0.182 nan 8.210 nan 0.000 0.431 1022 A N 0.062 122.857 122.820 -0.042 0.000 2.500 1022 A HA 0.496 4.816 4.320 0.000 0.000 0.267 1022 A C 0.837 178.410 177.584 -0.020 0.000 1.290 1022 A CA 0.146 52.169 52.037 -0.024 0.000 0.928 1022 A CB -0.579 18.415 19.000 -0.010 0.000 1.066 1022 A HN 0.404 nan 8.150 nan 0.000 0.516 1023 G N -1.185 107.582 108.800 -0.055 0.000 2.535 1023 G HA2 0.620 4.580 3.960 0.000 0.000 0.303 1023 G HA3 0.620 4.580 3.960 0.000 0.000 0.303 1023 G C -0.337 174.553 174.900 -0.017 0.000 1.237 1023 G CA 0.034 45.122 45.100 -0.020 0.000 0.986 1023 G HN 1.004 nan 8.290 nan 0.000 0.494 1024 A N -1.135 121.721 122.820 0.061 0.000 2.455 1024 A HA 0.837 5.157 4.320 0.000 0.000 0.300 1024 A C -0.016 177.638 177.584 0.117 0.000 1.040 1024 A CA 0.027 52.097 52.037 0.055 0.000 0.697 1024 A CB 1.664 20.689 19.000 0.042 0.000 1.265 1024 A HN 1.551 nan 8.150 nan 0.000 0.407 1025 G N -0.484 108.370 108.800 0.091 0.000 2.489 1025 G HA2 0.607 4.567 3.960 0.000 0.000 0.327 1025 G HA3 0.607 4.567 3.960 0.000 0.000 0.327 1025 G C 0.864 175.802 174.900 0.062 0.000 1.189 1025 G CA 0.145 45.312 45.100 0.112 0.000 0.962 1025 G HN 1.565 nan 8.290 nan 0.000 0.486 1026 A N -0.026 122.826 122.820 0.052 0.000 2.019 1026 A HA 0.308 4.628 4.320 0.000 0.000 0.219 1026 A C 1.606 179.204 177.584 0.024 0.000 1.164 1026 A CA 1.933 53.988 52.037 0.031 0.000 0.644 1026 A CB -0.485 18.529 19.000 0.022 0.000 0.805 1026 A HN 1.743 nan 8.150 nan 0.000 0.449 1027 S N -4.452 111.264 115.700 0.027 0.000 2.638 1027 S HA 0.644 5.114 4.470 0.000 0.000 0.274 1027 S C 0.617 175.229 174.600 0.020 0.000 1.157 1027 S CA 0.011 58.222 58.200 0.019 0.000 0.826 1027 S CB 1.136 64.345 63.200 0.015 0.000 1.139 1027 S HN 1.002 nan 8.310 nan 0.000 0.474 1028 A N 0.496 123.324 122.820 0.013 0.000 2.067 1028 A HA 0.373 4.693 4.320 0.000 0.000 0.219 1028 A C 2.025 179.616 177.584 0.012 0.000 1.158 1028 A CA 1.504 53.547 52.037 0.010 0.000 0.661 1028 A CB -1.299 17.704 19.000 0.005 0.000 0.801 1028 A HN 1.526 nan 8.150 nan 0.000 0.452 1029 A N -0.323 122.505 122.820 0.014 0.000 2.208 1029 A HA 0.086 4.406 4.320 0.000 0.000 0.209 1029 A C 0.568 178.166 177.584 0.024 0.000 1.161 1029 A CA 0.027 52.073 52.037 0.015 0.000 0.782 1029 A CB -0.514 18.493 19.000 0.011 0.000 0.816 1029 A HN 0.593 nan 8.150 nan 0.000 0.477 1030 N N 0.523 119.243 118.700 0.033 0.000 2.439 1030 N HA 0.214 4.954 4.740 0.000 0.000 0.243 1030 N C 0.941 176.493 175.510 0.069 0.000 1.088 1030 N CA 0.312 53.395 53.050 0.055 0.000 0.940 1030 N CB 0.913 39.441 38.487 0.068 0.000 1.180 1030 N HN 0.354 nan 8.380 nan 0.000 0.505 1031 S N 0.658 116.399 115.700 0.068 0.000 2.497 1031 S HA 0.206 4.676 4.470 0.000 0.000 0.218 1031 S C 1.360 176.035 174.600 0.125 0.000 1.023 1031 S CA 0.041 58.280 58.200 0.065 0.000 0.913 1031 S CB 0.521 63.744 63.200 0.038 0.000 0.800 1031 S HN 0.450 nan 8.310 nan 0.000 0.505 1032 A N 1.006 123.919 122.820 0.155 0.000 2.138 1032 A HA 0.432 4.752 4.320 0.000 0.000 0.203 1032 A C 0.841 178.538 177.584 0.188 0.000 1.286 1032 A CA 0.212 52.367 52.037 0.197 0.000 0.929 1032 A CB -0.020 19.035 19.000 0.091 0.000 0.975 1032 A HN 0.373 nan 8.150 nan 0.000 0.480 1033 T N 1.684 116.307 114.554 0.115 0.000 2.747 1033 T HA 0.554 4.904 4.350 0.000 0.000 0.301 1033 T C -0.672 174.066 174.700 0.062 0.000 0.952 1033 T CA 0.038 62.133 62.100 -0.008 0.000 0.983 1033 T CB -0.394 68.469 68.868 -0.008 0.000 0.930 1033 T HN 0.494 nan 8.240 nan 0.000 0.494 1034 Y N 0.899 121.198 120.300 -0.001 0.000 2.853 1034 Y HA 0.735 5.285 4.550 0.000 0.000 0.326 1034 Y C -1.612 174.288 175.900 -0.001 0.000 1.384 1034 Y CA -1.748 56.352 58.100 -0.000 0.000 1.077 1034 Y CB 1.043 39.505 38.460 0.003 0.000 1.395 1034 Y HN 0.162 nan 8.280 nan 0.000 0.451 1035 Q N 1.414 121.359 119.800 0.241 0.000 2.325 1035 Q HA 0.783 5.123 4.340 0.000 0.000 0.270 1035 Q C -0.643 175.551 176.000 0.323 0.000 1.020 1035 Q CA -0.553 55.337 55.803 0.144 0.000 0.785 1035 Q CB 2.174 30.957 28.738 0.073 0.000 1.259 1035 Q HN 0.904 nan 8.270 nan 0.000 0.452 1036 A N 1.885 124.872 122.820 0.278 0.000 2.257 1036 A HA 0.764 5.085 4.320 0.000 0.000 0.289 1036 A C 0.021 177.667 177.584 0.103 0.000 1.095 1036 A CA -0.065 52.118 52.037 0.243 0.000 0.836 1036 A CB 0.112 19.272 19.000 0.268 0.000 1.111 1036 A HN 1.436 nan 8.150 nan 0.000 0.497 1037 A N 0.130 122.987 122.820 0.062 0.000 2.362 1037 A HA -0.110 4.210 4.320 0.000 0.000 0.290 1037 A C 0.732 178.330 177.584 0.024 0.000 1.441 1037 A CA 1.339 53.392 52.037 0.026 0.000 0.743 1037 A CB -1.472 17.535 19.000 0.012 0.000 1.125 1037 A HN 0.695 nan 8.150 nan 0.000 0.378 1038 K N -1.094 119.321 120.400 0.025 0.000 2.425 1038 K HA 0.286 4.606 4.320 0.000 0.000 0.201 1038 K C 0.281 176.888 176.600 0.012 0.000 1.128 1038 K CA 0.838 57.138 56.287 0.021 0.000 1.000 1038 K CB 0.558 33.077 32.500 0.031 0.000 0.961 1038 K HN 0.541 nan 8.250 nan 0.000 0.555 1039 V N 1.264 121.182 119.914 0.007 0.000 2.483 1039 V HA 0.517 4.637 4.120 0.000 0.000 0.295 1039 V C 0.633 176.728 176.094 0.002 0.000 1.035 1039 V CA -1.119 61.182 62.300 0.003 0.000 0.896 1039 V CB 1.495 33.317 31.823 -0.001 0.000 0.986 1039 V HN 0.216 nan 8.190 nan 0.000 0.447 1040 G N 1.407 110.208 108.800 0.003 0.000 2.507 1040 G HA2 0.376 4.336 3.960 0.000 0.000 0.271 1040 G HA3 0.376 4.336 3.960 0.000 0.000 0.271 1040 G C 0.970 175.872 174.900 0.004 0.000 1.189 1040 G CA -0.057 45.044 45.100 0.003 0.000 0.859 1040 G HN 0.635 nan 8.290 nan 0.000 0.542 1041 V N 0.595 120.512 119.914 0.005 0.000 2.469 1041 V HA -0.157 3.963 4.120 0.000 0.000 0.251 1041 V C 2.225 178.324 176.094 0.008 0.000 1.064 1041 V CA 2.750 65.054 62.300 0.007 0.000 1.066 1041 V CB -0.422 31.406 31.823 0.008 0.000 0.667 1041 V HN 0.700 nan 8.190 nan 0.000 0.461 1042 D N -0.361 120.043 120.400 0.007 0.000 2.117 1042 D HA -0.136 4.504 4.640 0.000 0.000 0.197 1042 D C 2.215 178.520 176.300 0.008 0.000 0.987 1042 D CA 1.100 55.104 54.000 0.008 0.000 0.829 1042 D CB -0.318 40.486 40.800 0.007 0.000 0.961 1042 D HN 0.306 nan 8.370 nan 0.000 0.460 1043 K N 0.785 121.188 120.400 0.006 0.000 2.057 1043 K HA -0.065 4.255 4.320 0.000 0.000 0.207 1043 K C 2.285 178.888 176.600 0.006 0.000 1.049 1043 K CA 0.454 56.744 56.287 0.005 0.000 0.931 1043 K CB -0.486 32.016 32.500 0.003 0.000 0.714 1043 K HN 0.210 nan 8.250 nan 0.000 0.440 1044 L N 0.459 121.686 121.223 0.006 0.000 1.955 1044 L HA -0.211 4.129 4.340 0.000 0.000 0.213 1044 L C 2.557 179.435 176.870 0.014 0.000 1.072 1044 L CA 1.357 56.201 54.840 0.008 0.000 0.755 1044 L CB -0.529 41.535 42.059 0.007 0.000 0.888 1044 L HN 0.116 nan 8.230 nan 0.000 0.432 1045 I N 0.036 120.615 120.570 0.016 0.000 2.185 1045 I HA -0.367 3.803 4.170 0.000 0.000 0.246 1045 I C 2.834 178.964 176.117 0.022 0.000 1.088 1045 I CA 1.362 62.675 61.300 0.021 0.000 1.347 1045 I CB -0.581 37.430 38.000 0.018 0.000 1.041 1045 I HN 0.289 nan 8.210 nan 0.000 0.415 1046 A N 1.034 123.864 122.820 0.016 0.000 1.908 1046 A HA -0.183 4.137 4.320 0.000 0.000 0.218 1046 A C 2.415 180.007 177.584 0.014 0.000 1.181 1046 A CA 2.012 54.057 52.037 0.014 0.000 0.627 1046 A CB -1.505 17.501 19.000 0.009 0.000 0.818 1046 A HN 0.492 nan 8.150 nan 0.000 0.445 1047 G N -1.358 107.449 108.800 0.011 0.000 2.535 1047 G HA2 0.138 4.098 3.960 0.000 0.000 0.218 1047 G HA3 0.138 4.098 3.960 0.000 0.000 0.218 1047 G C 0.408 175.315 174.900 0.011 0.000 1.122 1047 G CA 1.132 46.236 45.100 0.008 0.000 0.769 1047 G HN 0.452 nan 8.290 nan 0.000 0.549 1048 V N 1.090 121.020 119.914 0.026 0.000 2.313 1048 V HA 0.196 4.316 4.120 0.000 0.000 0.262 1048 V C -1.563 174.563 176.094 0.054 0.000 1.011 1048 V CA -1.062 61.263 62.300 0.042 0.000 0.858 1048 V CB 1.702 33.572 31.823 0.079 0.000 1.104 1048 V HN -0.013 nan 8.190 nan 0.000 0.456 1049 P HA -0.127 nan 4.420 nan 0.000 0.215 1049 P C 1.339 178.675 177.300 0.060 0.000 1.153 1049 P CA 1.086 64.207 63.100 0.035 0.000 0.853 1049 P CB 0.397 32.107 31.700 0.017 0.000 0.788 1050 E N -0.954 119.287 120.200 0.069 0.000 2.333 1050 E HA -0.163 4.187 4.350 0.000 0.000 0.200 1050 E C 1.708 178.449 176.600 0.235 0.000 1.010 1050 E CA 0.544 57.021 56.400 0.128 0.000 0.841 1050 E CB -1.145 28.588 29.700 0.056 0.000 0.757 1050 E HN 0.120 nan 8.360 nan 0.000 0.508 1051 L N 0.376 121.719 121.223 0.200 0.000 2.081 1051 L HA -0.201 4.139 4.340 0.000 0.000 0.212 1051 L C 2.119 179.030 176.870 0.068 0.000 1.080 1051 L CA 1.908 56.828 54.840 0.134 0.000 0.754 1051 L CB -1.052 41.059 42.059 0.088 0.000 0.893 1051 L HN 0.180 nan 8.230 nan 0.000 0.433 1052 A N -0.881 121.977 122.820 0.062 0.000 2.032 1052 A HA -0.241 4.079 4.320 0.000 0.000 0.221 1052 A C 1.921 179.527 177.584 0.036 0.000 1.165 1052 A CA 1.988 54.048 52.037 0.039 0.000 0.645 1052 A CB -0.613 18.408 19.000 0.034 0.000 0.807 1052 A HN 0.518 nan 8.150 nan 0.000 0.453 1053 D N -0.068 120.367 120.400 0.059 0.000 2.183 1053 D HA -0.053 4.587 4.640 0.000 0.000 0.203 1053 D C 1.912 178.228 176.300 0.026 0.000 0.969 1053 D CA 0.881 54.913 54.000 0.053 0.000 0.842 1053 D CB -0.264 40.589 40.800 0.089 0.000 0.957 1053 D HN 0.496 nan 8.370 nan 0.000 0.484 1054 L N 0.008 121.232 121.223 0.001 0.000 2.072 1054 L HA 0.128 4.468 4.340 0.000 0.000 0.205 1054 L C 1.150 177.992 176.870 -0.046 0.000 1.079 1054 L CA 0.615 55.416 54.840 -0.064 0.000 0.752 1054 L CB -0.076 41.874 42.059 -0.182 0.000 0.906 1054 L HN -0.019 nan 8.230 nan 0.000 0.436 1055 A N -1.567 121.236 122.820 -0.029 0.000 2.456 1055 A HA 0.371 4.691 4.320 0.000 0.000 0.294 1055 A C -1.454 176.125 177.584 -0.009 0.000 1.057 1055 A CA -0.805 51.220 52.037 -0.020 0.000 0.623 1055 A CB 0.432 19.414 19.000 -0.029 0.000 1.338 1055 A HN 0.014 nan 8.150 nan 0.000 0.464 1056 N N 0.816 119.512 118.700 -0.006 0.000 2.408 1056 N HA 0.444 5.184 4.740 0.000 0.000 0.257 1056 N C -0.334 175.175 175.510 -0.001 0.000 1.064 1056 N CA 0.211 53.260 53.050 -0.001 0.000 0.952 1056 N CB 1.374 39.861 38.487 0.000 0.000 1.093 1056 N HN 1.128 nan 8.380 nan 0.000 0.490 1057 V N 0.786 120.701 119.914 0.002 0.000 2.715 1057 V HA 0.802 4.923 4.120 0.000 0.000 0.310 1057 V C -0.318 175.780 176.094 0.006 0.000 1.054 1057 V CA -1.110 61.192 62.300 0.002 0.000 0.928 1057 V CB 2.020 33.845 31.823 0.003 0.000 1.007 1057 V HN 0.719 nan 8.190 nan 0.000 0.437 1058 R N 2.663 123.167 120.500 0.006 0.000 2.621 1058 R HA 0.835 5.175 4.340 0.000 0.000 0.284 1058 R C -0.163 176.142 176.300 0.009 0.000 0.998 1058 R CA -0.414 55.691 56.100 0.008 0.000 0.895 1058 R CB 1.946 32.250 30.300 0.007 0.000 1.195 1058 R HN 1.075 nan 8.270 nan 0.000 0.450 1059 G N 0.699 109.505 108.800 0.010 0.000 2.437 1059 G HA2 0.451 4.411 3.960 0.000 0.000 0.319 1059 G HA3 0.451 4.411 3.960 0.000 0.000 0.319 1059 G C -1.184 173.722 174.900 0.011 0.000 1.158 1059 G CA -0.584 44.522 45.100 0.010 0.000 0.899 1059 G HN 0.675 nan 8.290 nan 0.000 0.502 1060 E N -0.099 120.109 120.200 0.012 0.000 2.313 1060 E HA 0.231 4.581 4.350 0.000 0.000 0.280 1060 E C -1.141 175.466 176.600 0.012 0.000 0.898 1060 E CA -0.628 55.779 56.400 0.012 0.000 0.803 1060 E CB 1.592 31.300 29.700 0.014 0.000 1.286 1060 E HN 0.307 nan 8.360 nan 0.000 0.401 1061 Q N 3.568 123.374 119.800 0.009 0.000 2.344 1061 Q HA 0.195 4.535 4.340 0.000 0.000 0.253 1061 Q C -0.158 175.846 176.000 0.008 0.000 1.050 1061 Q CA 0.123 55.931 55.803 0.007 0.000 0.912 1061 Q CB 1.326 30.066 28.738 0.004 0.000 1.258 1061 Q HN 0.553 nan 8.270 nan 0.000 0.443 1062 V N 4.531 124.450 119.914 0.009 0.000 2.599 1062 V HA 0.096 4.216 4.120 0.000 0.000 0.245 1062 V C 0.735 176.830 176.094 0.002 0.000 1.046 1062 V CA 1.628 63.934 62.300 0.010 0.000 1.065 1062 V CB -0.631 31.203 31.823 0.019 0.000 0.703 1062 V HN 0.895 nan 8.190 nan 0.000 0.464 1063 M N -2.082 117.515 119.600 -0.005 0.000 2.790 1063 M HA 0.523 5.003 4.480 0.000 0.000 0.272 1063 M C -1.985 174.303 176.300 -0.020 0.000 1.168 1063 M CA -0.625 54.667 55.300 -0.014 0.000 0.829 1063 M CB 2.261 34.849 32.600 -0.021 0.000 1.675 1063 M HN -0.282 nan 8.290 nan 0.000 0.505 1064 Q N 2.830 122.618 119.800 -0.021 0.000 2.907 1064 Q HA 0.573 4.913 4.340 0.000 0.000 0.262 1064 Q C -1.263 174.723 176.000 -0.023 0.000 0.997 1064 Q CA -0.140 55.651 55.803 -0.019 0.000 0.797 1064 Q CB 1.568 30.301 28.738 -0.009 0.000 1.228 1064 Q HN 0.821 nan 8.270 nan 0.000 0.466 1065 I N -2.664 117.881 120.570 -0.041 0.000 3.108 1065 I HA 0.930 5.100 4.170 0.000 0.000 0.312 1065 I C -0.663 175.428 176.117 -0.043 0.000 1.095 1065 I CA -1.522 59.754 61.300 -0.041 0.000 1.000 1065 I CB 2.069 40.037 38.000 -0.053 0.000 1.229 1065 I HN 0.125 nan 8.210 nan 0.000 0.454 1066 A N 1.764 124.569 122.820 -0.024 0.000 2.274 1066 A HA 0.456 4.776 4.320 0.000 0.000 0.309 1066 A C 1.058 178.627 177.584 -0.025 0.000 1.226 1066 A CA 0.001 52.037 52.037 -0.002 0.000 0.853 1066 A CB 0.642 19.652 19.000 0.016 0.000 1.146 1066 A HN 0.967 nan 8.150 nan 0.000 0.518 1067 S N 1.839 117.521 115.700 -0.031 0.000 2.440 1067 S HA -0.194 4.276 4.470 0.000 0.000 0.238 1067 S C 1.356 175.980 174.600 0.039 0.000 1.010 1067 S CA 1.364 59.551 58.200 -0.022 0.000 0.972 1067 S CB -0.288 62.951 63.200 0.064 0.000 0.774 1067 S HN 0.846 nan 8.310 nan 0.000 0.501 1068 E N 1.437 121.659 120.200 0.036 0.000 2.268 1068 E HA -0.052 4.298 4.350 0.000 0.000 0.195 1068 E C 0.801 177.406 176.600 0.008 0.000 0.995 1068 E CA 1.099 57.516 56.400 0.027 0.000 0.836 1068 E CB -0.533 29.176 29.700 0.015 0.000 0.763 1068 E HN 0.574 nan 8.360 nan 0.000 0.491 1069 S N 0.868 116.567 115.700 -0.002 0.000 2.583 1069 S HA 0.271 4.741 4.470 0.000 0.000 0.239 1069 S C 0.565 175.155 174.600 -0.016 0.000 0.966 1069 S CA -0.522 57.671 58.200 -0.011 0.000 0.973 1069 S CB -0.161 63.030 63.200 -0.016 0.000 0.794 1069 S HN 0.261 nan 8.310 nan 0.000 0.463 1070 I N 3.181 123.744 120.570 -0.011 0.000 2.696 1070 I HA 0.175 4.345 4.170 0.000 0.000 0.284 1070 I C 0.566 176.669 176.117 -0.023 0.000 1.129 1070 I CA 0.204 61.493 61.300 -0.018 0.000 1.410 1070 I CB 1.077 39.080 38.000 0.006 0.000 1.399 1070 I HN 0.233 nan 8.210 nan 0.000 0.579 1071 T N 2.049 116.581 114.554 -0.036 0.000 2.940 1071 T HA 0.341 4.691 4.350 0.000 0.000 0.288 1071 T C 0.707 175.362 174.700 -0.075 0.000 1.045 1071 T CA -0.826 61.246 62.100 -0.046 0.000 1.018 1071 T CB 1.298 70.144 68.868 -0.037 0.000 1.151 1071 T HN 0.556 nan 8.240 nan 0.000 0.529 1072 N N 0.710 119.360 118.700 -0.083 0.000 2.289 1072 N HA -0.067 4.673 4.740 0.000 0.000 0.184 1072 N C 1.225 176.668 175.510 -0.111 0.000 1.016 1072 N CA 0.967 53.943 53.050 -0.123 0.000 0.872 1072 N CB -0.357 38.073 38.487 -0.094 0.000 0.973 1072 N HN 0.597 nan 8.380 nan 0.000 0.433 1073 D N 0.394 120.755 120.400 -0.066 0.000 2.224 1073 D HA -0.080 4.560 4.640 0.000 0.000 0.205 1073 D C 0.865 177.140 176.300 -0.040 0.000 0.965 1073 D CA 0.734 54.709 54.000 -0.043 0.000 0.852 1073 D CB -0.054 40.731 40.800 -0.025 0.000 0.947 1073 D HN 0.240 nan 8.370 nan 0.000 0.494 1074 D N 0.537 120.907 120.400 -0.050 0.000 2.149 1074 D HA -0.042 4.598 4.640 0.000 0.000 0.201 1074 D C 2.375 178.649 176.300 -0.043 0.000 0.972 1074 D CA 0.206 54.184 54.000 -0.036 0.000 0.835 1074 D CB -0.184 40.594 40.800 -0.036 0.000 0.966 1074 D HN 0.208 nan 8.370 nan 0.000 0.476 1075 L N 0.255 121.406 121.223 -0.120 0.000 2.017 1075 L HA -0.139 4.201 4.340 0.000 0.000 0.208 1075 L C 2.533 179.348 176.870 -0.091 0.000 1.073 1075 L CA 0.742 55.446 54.840 -0.228 0.000 0.745 1075 L CB -0.308 41.368 42.059 -0.638 0.000 0.894 1075 L HN 0.055 nan 8.230 nan 0.000 0.432 1076 L N -0.337 120.844 121.223 -0.070 0.000 2.042 1076 L HA -0.255 4.085 4.340 0.000 0.000 0.210 1076 L C 2.800 179.720 176.870 0.083 0.000 1.076 1076 L CA 1.210 56.091 54.840 0.068 0.000 0.749 1076 L CB -0.537 41.543 42.059 0.035 0.000 0.893 1076 L HN 0.252 nan 8.230 nan 0.000 0.432 1077 K N 0.593 121.018 120.400 0.041 0.000 2.057 1077 K HA -0.181 4.139 4.320 0.000 0.000 0.207 1077 K C 2.086 178.723 176.600 0.061 0.000 1.049 1077 K CA 1.512 57.824 56.287 0.042 0.000 0.931 1077 K CB -0.298 32.214 32.500 0.020 0.000 0.714 1077 K HN 0.297 nan 8.250 nan 0.000 0.440 1078 L N -0.044 121.224 121.223 0.075 0.000 2.072 1078 L HA -0.057 4.283 4.340 0.000 0.000 0.205 1078 L C 2.278 179.227 176.870 0.133 0.000 1.079 1078 L CA 1.408 56.306 54.840 0.097 0.000 0.752 1078 L CB -0.642 41.484 42.059 0.111 0.000 0.906 1078 L HN 0.302 nan 8.230 nan 0.000 0.436 1079 G N -0.298 108.623 108.800 0.202 0.000 2.422 1079 G HA2 -0.247 3.713 3.960 0.000 0.000 0.218 1079 G HA3 -0.247 3.713 3.960 0.000 0.000 0.218 1079 G C 1.621 176.590 174.900 0.116 0.000 1.146 1079 G CA 0.554 45.784 45.100 0.217 0.000 0.769 1079 G HN 0.308 nan 8.290 nan 0.000 0.547 1080 K N -0.076 120.385 120.400 0.103 0.000 2.103 1080 K HA -0.014 4.306 4.320 0.000 0.000 0.204 1080 K C 2.543 179.174 176.600 0.051 0.000 1.052 1080 K CA 0.980 57.306 56.287 0.066 0.000 0.945 1080 K CB -0.074 32.461 32.500 0.059 0.000 0.722 1080 K HN 0.144 nan 8.250 nan 0.000 0.443 1081 R N 1.442 121.974 120.500 0.054 0.000 2.081 1081 R HA -0.107 4.233 4.340 0.000 0.000 0.235 1081 R C 1.896 178.221 176.300 0.041 0.000 1.131 1081 R CA 1.320 57.446 56.100 0.043 0.000 0.960 1081 R CB -0.689 29.637 30.300 0.043 0.000 0.856 1081 R HN -0.057 nan 8.270 nan 0.000 0.436 1082 V N 0.932 120.876 119.914 0.051 0.000 2.343 1082 V HA -0.207 3.913 4.120 0.000 0.000 0.247 1082 V C 2.376 178.490 176.094 0.032 0.000 1.051 1082 V CA 1.958 64.285 62.300 0.044 0.000 1.036 1082 V CB -0.966 30.890 31.823 0.055 0.000 0.654 1082 V HN 0.577 nan 8.190 nan 0.000 0.451 1083 A N -0.710 122.129 122.820 0.031 0.000 1.972 1083 A HA -0.234 4.086 4.320 0.000 0.000 0.219 1083 A C 2.176 179.771 177.584 0.019 0.000 1.169 1083 A CA 1.843 53.893 52.037 0.021 0.000 0.635 1083 A CB -0.390 18.621 19.000 0.019 0.000 0.810 1083 A HN 0.635 nan 8.150 nan 0.000 0.446 1084 E N -0.382 119.831 120.200 0.022 0.000 2.028 1084 E HA -0.104 4.246 4.350 0.000 0.000 0.191 1084 E C 1.831 178.441 176.600 0.016 0.000 0.988 1084 E CA 0.890 57.301 56.400 0.018 0.000 0.799 1084 E CB -0.156 29.555 29.700 0.020 0.000 0.755 1084 E HN 0.402 nan 8.360 nan 0.000 0.447 1085 L N 0.494 121.728 121.223 0.018 0.000 2.131 1085 L HA -0.125 4.215 4.340 0.000 0.000 0.210 1085 L C 2.400 179.278 176.870 0.014 0.000 1.092 1085 L CA 1.461 56.310 54.840 0.016 0.000 0.759 1085 L CB -1.352 40.718 42.059 0.018 0.000 0.903 1085 L HN 0.132 nan 8.230 nan 0.000 0.435 1086 A N -0.400 122.429 122.820 0.015 0.000 1.969 1086 A HA -0.179 4.141 4.320 0.000 0.000 0.218 1086 A C 1.901 179.490 177.584 0.009 0.000 1.169 1086 A CA 1.500 53.545 52.037 0.013 0.000 0.635 1086 A CB -0.357 18.652 19.000 0.014 0.000 0.810 1086 A HN 0.329 nan 8.150 nan 0.000 0.445 1087 D N -0.064 120.341 120.400 0.009 0.000 2.269 1087 D HA 0.005 4.645 4.640 0.000 0.000 0.208 1087 D C 1.049 177.352 176.300 0.005 0.000 0.963 1087 D CA 0.792 54.796 54.000 0.007 0.000 0.864 1087 D CB -0.236 40.568 40.800 0.007 0.000 0.936 1087 D HN 0.313 nan 8.370 nan 0.000 0.505 1088 S N 0.038 115.742 115.700 0.006 0.000 2.564 1088 S HA 0.058 4.528 4.470 0.000 0.000 0.278 1088 S C 0.917 175.519 174.600 0.003 0.000 1.333 1088 S CA -0.500 57.703 58.200 0.005 0.000 1.048 1088 S CB 0.620 63.824 63.200 0.006 0.000 0.900 1088 S HN -0.058 nan 8.310 nan 0.000 0.505 1089 N N 2.220 120.921 118.700 0.002 0.000 2.398 1089 N HA 0.108 4.848 4.740 0.000 0.000 0.188 1089 N C 0.024 175.535 175.510 0.000 0.000 1.122 1089 N CA 0.272 53.323 53.050 0.000 0.000 0.866 1089 N CB 0.238 38.724 38.487 -0.001 0.000 0.970 1089 N HN 0.551 nan 8.380 nan 0.000 0.462 1090 D N -0.128 120.273 120.400 0.002 0.000 2.336 1090 D HA 0.089 4.729 4.640 0.000 0.000 0.228 1090 D C -0.483 175.818 176.300 0.002 0.000 1.120 1090 D CA 0.296 54.297 54.000 0.002 0.000 0.839 1090 D CB 0.859 41.660 40.800 0.003 0.000 0.932 1090 D HN -0.055 nan 8.370 nan 0.000 0.509 1091 V N 1.421 121.337 119.914 0.002 0.000 2.525 1091 V HA 0.113 4.233 4.120 0.000 0.000 0.299 1091 V C 0.286 176.381 176.094 0.002 0.000 1.034 1091 V CA -0.603 61.699 62.300 0.003 0.000 0.863 1091 V CB 2.763 34.590 31.823 0.006 0.000 0.999 1091 V HN -0.134 nan 8.190 nan 0.000 0.423 1092 D N 3.122 123.522 120.400 0.000 0.000 2.338 1092 D HA 0.216 4.856 4.640 0.000 0.000 0.224 1092 D C 0.814 177.115 176.300 0.001 0.000 0.967 1092 D CA 1.027 55.026 54.000 -0.001 0.000 0.896 1092 D CB 1.339 42.136 40.800 -0.005 0.000 1.028 1092 D HN 0.673 nan 8.370 nan 0.000 0.493 1093 G N 0.127 108.928 108.800 0.001 0.000 2.660 1093 G HA2 0.645 4.605 3.960 0.000 0.000 0.294 1093 G HA3 0.645 4.605 3.960 0.000 0.000 0.294 1093 G C -1.306 173.597 174.900 0.006 0.000 1.369 1093 G CA -0.531 44.572 45.100 0.004 0.000 0.912 1093 G HN -0.022 nan 8.290 nan 0.000 0.479 1094 I N 0.627 121.204 120.570 0.011 0.000 2.499 1094 I HA 0.426 4.596 4.170 0.000 0.000 0.288 1094 I C -0.655 175.470 176.117 0.015 0.000 1.048 1094 I CA -1.040 60.268 61.300 0.015 0.000 1.062 1094 I CB 2.374 40.387 38.000 0.021 0.000 1.238 1094 I HN 0.115 nan 8.210 nan 0.000 0.426 1095 V N 7.069 126.990 119.914 0.013 0.000 2.555 1095 V HA 0.537 4.657 4.120 0.000 0.000 0.302 1095 V C -0.227 175.881 176.094 0.023 0.000 1.038 1095 V CA -0.472 61.835 62.300 0.012 0.000 0.887 1095 V CB 2.309 34.133 31.823 0.002 0.000 0.991 1095 V HN 0.466 nan 8.190 nan 0.000 0.434 1096 I N 3.714 124.302 120.570 0.031 0.000 2.447 1096 I HA 0.391 4.561 4.170 0.000 0.000 0.287 1096 I C 0.157 176.310 176.117 0.060 0.000 1.023 1096 I CA -0.459 60.872 61.300 0.053 0.000 1.083 1096 I CB 2.384 40.431 38.000 0.077 0.000 1.245 1096 I HN 0.671 nan 8.210 nan 0.000 0.434 1097 T N 1.834 116.424 114.554 0.060 0.000 2.806 1097 T HA 0.421 4.771 4.350 0.000 0.000 0.290 1097 T C -0.514 174.255 174.700 0.114 0.000 0.966 1097 T CA -0.444 61.692 62.100 0.060 0.000 1.060 1097 T CB 1.140 70.026 68.868 0.029 0.000 0.927 1097 T HN 0.554 nan 8.240 nan 0.000 0.485 1098 H N 1.120 120.189 119.070 -0.002 0.000 2.974 1098 H HA 0.459 5.015 4.556 0.000 0.000 0.366 1098 H C 0.305 175.647 175.328 0.024 0.000 1.155 1098 H CA -0.422 55.635 56.048 0.015 0.000 1.186 1098 H CB 1.728 31.502 29.762 0.019 0.000 1.799 1098 H HN 1.042 nan 8.280 nan 0.000 0.541 1099 G N 1.222 110.085 108.800 0.104 0.000 2.414 1099 G HA2 0.051 4.011 3.960 0.000 0.000 0.236 1099 G HA3 0.051 4.011 3.960 0.000 0.000 0.236 1099 G C 1.198 176.303 174.900 0.341 0.000 1.293 1099 G CA 0.371 45.572 45.100 0.169 0.000 0.869 1099 G HN 0.714 nan 8.290 nan 0.000 0.556 1100 T N -0.682 114.037 114.554 0.274 0.000 2.995 1100 T HA -0.106 4.244 4.350 0.000 0.000 0.269 1100 T C 1.526 176.449 174.700 0.371 0.000 1.091 1100 T CA 1.514 63.855 62.100 0.400 0.000 1.128 1100 T CB -0.100 69.056 68.868 0.480 0.000 0.891 1100 T HN 0.365 nan 8.240 nan 0.000 0.492 1101 D N 2.429 122.972 120.400 0.239 0.000 2.133 1101 D HA -0.083 4.557 4.640 0.000 0.000 0.195 1101 D C 2.032 178.428 176.300 0.160 0.000 0.997 1101 D CA 2.168 56.261 54.000 0.155 0.000 0.840 1101 D CB -0.446 40.421 40.800 0.112 0.000 0.947 1101 D HN 0.741 nan 8.370 nan 0.000 0.452 1102 T N -2.341 112.347 114.554 0.223 0.000 3.200 1102 T HA 0.229 4.579 4.350 0.000 0.000 0.284 1102 T C 1.600 176.395 174.700 0.159 0.000 1.009 1102 T CA -0.344 61.874 62.100 0.196 0.000 0.907 1102 T CB -0.284 68.696 68.868 0.187 0.000 1.120 1102 T HN 0.057 nan 8.240 nan 0.000 0.534 1103 L N 2.018 123.329 121.223 0.147 0.000 2.042 1103 L HA -0.136 4.204 4.340 0.000 0.000 0.210 1103 L C 2.743 179.587 176.870 -0.042 0.000 1.076 1103 L CA 2.309 57.053 54.840 -0.160 0.000 0.749 1103 L CB -0.299 41.761 42.059 0.001 0.000 0.893 1103 L HN 0.536 nan 8.230 nan 0.000 0.432 1104 E N -0.678 119.625 120.200 0.171 0.000 2.265 1104 E HA -0.267 4.083 4.350 0.000 0.000 0.196 1104 E C 1.563 178.250 176.600 0.145 0.000 0.996 1104 E CA 1.464 57.969 56.400 0.176 0.000 0.832 1104 E CB -0.317 29.505 29.700 0.202 0.000 0.756 1104 E HN 0.694 nan 8.360 nan 0.000 0.491 1105 E N 0.784 121.055 120.200 0.119 0.000 2.060 1105 E HA -0.057 4.293 4.350 0.000 0.000 0.189 1105 E C 2.098 178.785 176.600 0.145 0.000 0.974 1105 E CA 1.419 57.907 56.400 0.147 0.000 0.808 1105 E CB -0.060 29.704 29.700 0.107 0.000 0.768 1105 E HN 0.202 nan 8.360 nan 0.000 0.453 1106 T N 1.388 115.965 114.554 0.039 0.000 2.788 1106 T HA -0.131 4.219 4.350 0.000 0.000 0.268 1106 T C 2.058 176.829 174.700 0.119 0.000 1.044 1106 T CA 1.188 63.322 62.100 0.056 0.000 1.139 1106 T CB -0.227 68.573 68.868 -0.115 0.000 0.867 1106 T HN 0.229 nan 8.240 nan 0.000 0.454 1107 A N 0.655 123.503 122.820 0.048 0.000 1.902 1107 A HA -0.127 4.193 4.320 0.000 0.000 0.217 1107 A C 2.134 179.845 177.584 0.211 0.000 1.181 1107 A CA 1.467 53.558 52.037 0.089 0.000 0.623 1107 A CB -0.928 18.098 19.000 0.043 0.000 0.818 1107 A HN 0.532 nan 8.150 nan 0.000 0.443 1108 Y N -0.885 119.470 120.300 0.092 0.000 2.263 1108 Y HA -0.110 4.440 4.550 0.000 0.000 0.292 1108 Y C 1.932 177.902 175.900 0.117 0.000 1.130 1108 Y CA 0.801 58.964 58.100 0.104 0.000 1.179 1108 Y CB -0.872 37.653 38.460 0.108 0.000 0.998 1108 Y HN 0.360 nan 8.280 nan 0.000 0.532 1109 F N 0.312 120.262 119.950 0.001 0.000 2.069 1109 F HA -0.267 4.260 4.527 0.000 0.000 0.298 1109 F C 2.017 177.775 175.800 -0.070 0.000 1.113 1109 F CA 1.959 59.889 58.000 -0.116 0.000 1.214 1109 F CB -0.773 38.196 39.000 -0.052 0.000 0.978 1109 F HN 0.011 nan 8.300 nan 0.000 0.474 1110 L N 0.123 121.338 121.223 -0.013 0.000 2.131 1110 L HA -0.238 4.103 4.340 0.000 0.000 0.210 1110 L C 2.163 178.992 176.870 -0.068 0.000 1.092 1110 L CA 1.608 56.394 54.840 -0.090 0.000 0.759 1110 L CB -0.920 41.176 42.059 0.063 0.000 0.903 1110 L HN 0.234 nan 8.230 nan 0.000 0.435 1111 N N 0.092 118.807 118.700 0.025 0.000 2.289 1111 N HA -0.139 4.601 4.740 0.000 0.000 0.184 1111 N C 1.696 177.256 175.510 0.085 0.000 1.016 1111 N CA 1.063 54.175 53.050 0.103 0.000 0.872 1111 N CB 0.042 38.667 38.487 0.231 0.000 0.973 1111 N HN 0.260 nan 8.380 nan 0.000 0.433 1112 L N -0.862 120.314 121.223 -0.079 0.000 2.298 1112 L HA 0.079 4.419 4.340 0.000 0.000 0.209 1112 L C 1.679 178.495 176.870 -0.090 0.000 1.084 1112 L CA 0.436 55.224 54.840 -0.086 0.000 0.816 1112 L CB 0.053 41.890 42.059 -0.370 0.000 0.967 1112 L HN 0.139 nan 8.230 nan 0.000 0.460 1113 V N -5.226 114.526 119.914 -0.270 0.000 3.645 1113 V HA 0.188 4.308 4.120 0.000 0.000 0.275 1113 V C 0.684 176.702 176.094 -0.126 0.000 1.356 1113 V CA -0.259 61.901 62.300 -0.235 0.000 1.051 1113 V CB 0.090 31.613 31.823 -0.500 0.000 0.828 1113 V HN 0.134 nan 8.190 nan 0.000 0.441 1114 Q N 2.419 122.164 119.800 -0.091 0.000 2.361 1114 Q HA 0.354 4.694 4.340 0.000 0.000 0.250 1114 Q C -0.307 175.698 176.000 0.008 0.000 1.023 1114 Q CA 0.123 55.907 55.803 -0.031 0.000 0.915 1114 Q CB 1.270 30.001 28.738 -0.011 0.000 1.238 1114 Q HN 0.463 nan 8.270 nan 0.000 0.451 1115 K N 2.267 122.670 120.400 0.006 0.000 2.502 1115 K HA 0.157 4.477 4.320 0.000 0.000 0.244 1115 K C 0.013 176.621 176.600 0.014 0.000 1.249 1115 K CA -0.039 56.255 56.287 0.013 0.000 1.193 1115 K CB 0.084 32.586 32.500 0.003 0.000 1.674 1115 K HN 0.413 nan 8.250 nan 0.000 0.302 1116 T N -0.013 114.557 114.554 0.026 0.000 2.894 1116 T HA 0.124 4.474 4.350 0.000 0.000 0.309 1116 T C -0.079 174.643 174.700 0.037 0.000 1.208 1116 T CA -0.732 61.382 62.100 0.023 0.000 1.016 1116 T CB 1.291 70.171 68.868 0.019 0.000 1.192 1116 T HN 0.437 nan 8.240 nan 0.000 0.491 1117 D N 1.933 122.348 120.400 0.025 0.000 2.349 1117 D HA 0.097 4.737 4.640 0.000 0.000 0.214 1117 D C 0.158 176.468 176.300 0.017 0.000 1.063 1117 D CA -0.231 53.786 54.000 0.029 0.000 0.847 1117 D CB 0.362 41.170 40.800 0.013 0.000 0.933 1117 D HN 0.397 nan 8.370 nan 0.000 0.513 1118 K N 1.658 122.067 120.400 0.015 0.000 2.326 1118 K HA 0.242 4.562 4.320 0.000 0.000 0.275 1118 K C -2.483 174.128 176.600 0.018 0.000 1.018 1118 K CA -1.504 54.790 56.287 0.012 0.000 0.962 1118 K CB 0.486 32.993 32.500 0.010 0.000 0.953 1118 K HN -0.051 nan 8.250 nan 0.000 0.475 1119 P HA 0.034 nan 4.420 nan 0.000 0.267 1119 P C -0.738 176.578 177.300 0.026 0.000 1.209 1119 P CA 0.463 63.580 63.100 0.028 0.000 0.763 1119 P CB 0.346 32.067 31.700 0.035 0.000 0.816 1120 I N 3.749 124.337 120.570 0.030 0.000 2.411 1120 I HA 0.271 4.441 4.170 0.000 0.000 0.284 1120 I C -0.536 175.597 176.117 0.026 0.000 1.012 1120 I CA -0.838 60.479 61.300 0.029 0.000 1.119 1120 I CB 1.773 39.793 38.000 0.033 0.000 1.261 1120 I HN -0.035 nan 8.210 nan 0.000 0.448 1121 V N 7.283 127.208 119.914 0.018 0.000 2.409 1121 V HA 0.387 4.507 4.120 0.000 0.000 0.291 1121 V C -0.042 176.049 176.094 -0.004 0.000 1.020 1121 V CA -0.701 61.602 62.300 0.005 0.000 0.848 1121 V CB 2.180 34.002 31.823 -0.001 0.000 0.990 1121 V HN 0.362 nan 8.190 nan 0.000 0.430 1122 V N 5.760 125.660 119.914 -0.023 0.000 2.427 1122 V HA 0.667 4.787 4.120 0.000 0.000 0.286 1122 V C -0.134 175.911 176.094 -0.082 0.000 1.034 1122 V CA -0.453 61.823 62.300 -0.040 0.000 0.893 1122 V CB 1.714 33.497 31.823 -0.066 0.000 0.982 1122 V HN 0.622 nan 8.190 nan 0.000 0.452 1123 V N 3.848 123.728 119.914 -0.056 0.000 3.049 1123 V HA 1.038 5.158 4.120 0.000 0.000 0.309 1123 V C 0.025 176.090 176.094 -0.049 0.000 1.148 1123 V CA 0.498 62.748 62.300 -0.083 0.000 0.990 1123 V CB 2.228 34.020 31.823 -0.052 0.000 1.039 1123 V HN 1.033 nan 8.190 nan 0.000 0.430 1124 G N 2.614 111.367 108.800 -0.079 0.000 2.870 1124 G HA2 0.806 4.766 3.960 0.000 0.000 0.299 1124 G HA3 0.806 4.766 3.960 0.000 0.000 0.299 1124 G C -0.934 173.953 174.900 -0.022 0.000 1.324 1124 G CA -0.052 45.035 45.100 -0.022 0.000 0.808 1124 G HN 1.697 nan 8.290 nan 0.000 0.535 1125 S N -1.218 114.482 115.700 0.001 0.000 2.536 1125 S HA 0.432 4.902 4.470 0.000 0.000 0.271 1125 S C 0.587 175.190 174.600 0.005 0.000 1.134 1125 S CA -0.614 57.583 58.200 -0.006 0.000 0.897 1125 S CB 1.954 65.132 63.200 -0.038 0.000 1.094 1125 S HN 0.334 nan 8.310 nan 0.000 0.473 1126 M N 1.331 120.949 119.600 0.031 0.000 2.349 1126 M HA 0.181 4.661 4.480 0.000 0.000 0.266 1126 M C 0.658 176.941 176.300 -0.028 0.000 1.076 1126 M CA 1.102 56.428 55.300 0.043 0.000 1.126 1126 M CB -0.924 31.720 32.600 0.073 0.000 1.392 1126 M HN 0.679 nan 8.290 nan 0.000 0.440 1127 R N 0.512 120.972 120.500 -0.067 0.000 2.664 1127 R HA 0.413 4.753 4.340 0.000 0.000 0.286 1127 R C -2.354 173.827 176.300 -0.198 0.000 0.967 1127 R CA -1.744 54.289 56.100 -0.112 0.000 0.933 1127 R CB 1.042 31.314 30.300 -0.047 0.000 1.146 1127 R HN -0.020 nan 8.270 nan 0.000 0.468 1128 P HA 0.000 nan 4.420 nan 0.000 0.274 1128 P C 0.235 177.461 177.300 -0.123 0.000 1.237 1128 P CA -0.154 62.782 63.100 -0.272 0.000 0.793 1128 P CB 0.825 32.349 31.700 -0.293 0.000 0.977 1129 G N 0.565 109.310 108.800 -0.090 0.000 2.498 1129 G HA2 -0.187 3.773 3.960 0.000 0.000 0.219 1129 G HA3 -0.187 3.773 3.960 0.000 0.000 0.219 1129 G C 1.200 176.081 174.900 -0.033 0.000 1.119 1129 G CA 1.118 46.188 45.100 -0.050 0.000 0.766 1129 G HN 0.648 nan 8.290 nan 0.000 0.552 1130 T N -2.161 112.375 114.554 -0.029 0.000 3.100 1130 T HA 0.574 4.924 4.350 0.000 0.000 0.253 1130 T C 1.093 175.789 174.700 -0.006 0.000 1.118 1130 T CA 0.421 62.515 62.100 -0.010 0.000 1.058 1130 T CB 0.278 69.148 68.868 0.003 0.000 0.953 1130 T HN 0.320 nan 8.240 nan 0.000 0.515 1131 A N 2.804 125.615 122.820 -0.015 0.000 2.302 1131 A HA 0.711 5.031 4.320 0.000 0.000 0.285 1131 A C 0.578 178.157 177.584 -0.009 0.000 1.105 1131 A CA -1.085 50.948 52.037 -0.006 0.000 0.816 1131 A CB 0.155 19.149 19.000 -0.009 0.000 1.067 1131 A HN 0.698 nan 8.150 nan 0.000 0.489 1132 M N 0.594 120.192 119.600 -0.003 0.000 2.238 1132 M HA 0.413 4.893 4.480 0.000 0.000 0.347 1132 M C 0.237 176.532 176.300 -0.007 0.000 1.173 1132 M CA 0.801 56.097 55.300 -0.005 0.000 1.147 1132 M CB 0.196 32.794 32.600 -0.003 0.000 1.547 1132 M HN 0.824 nan 8.290 nan 0.000 0.455 1133 S N 0.026 115.720 115.700 -0.010 0.000 3.561 1133 S HA -0.130 4.340 4.470 0.000 0.000 0.318 1133 S C 0.428 175.021 174.600 -0.012 0.000 1.181 1133 S CA 0.613 58.807 58.200 -0.011 0.000 0.916 1133 S CB -2.215 60.981 63.200 -0.007 0.000 0.966 1133 S HN 1.217 nan 8.310 nan 0.000 0.550 1134 A N 1.583 124.393 122.820 -0.017 0.000 2.555 1134 A HA 0.315 4.635 4.320 0.000 0.000 0.233 1134 A C 1.229 178.801 177.584 -0.019 0.000 1.060 1134 A CA 0.584 52.606 52.037 -0.024 0.000 0.759 1134 A CB 0.217 19.198 19.000 -0.032 0.000 0.995 1134 A HN 0.551 nan 8.150 nan 0.000 0.506 1135 D N 1.866 122.256 120.400 -0.017 0.000 2.360 1135 D HA 0.021 4.661 4.640 0.000 0.000 0.210 1135 D C 1.400 177.696 176.300 -0.007 0.000 1.047 1135 D CA 0.856 54.851 54.000 -0.008 0.000 0.854 1135 D CB -0.630 40.172 40.800 0.002 0.000 0.936 1135 D HN 0.567 nan 8.370 nan 0.000 0.514 1136 G N 1.064 109.854 108.800 -0.016 0.000 2.432 1136 G HA2 -0.233 3.727 3.960 0.000 0.000 0.219 1136 G HA3 -0.233 3.727 3.960 0.000 0.000 0.219 1136 G C 1.454 176.357 174.900 0.004 0.000 1.135 1136 G CA 1.069 46.162 45.100 -0.012 0.000 0.767 1136 G HN 0.116 nan 8.290 nan 0.000 0.550 1137 M N -0.009 119.592 119.600 0.002 0.000 2.067 1137 M HA 0.080 4.560 4.480 0.000 0.000 0.260 1137 M C 2.283 178.608 176.300 0.042 0.000 1.069 1137 M CA 0.896 56.205 55.300 0.014 0.000 1.117 1137 M CB -1.084 31.510 32.600 -0.009 0.000 1.334 1137 M HN 0.201 nan 8.290 nan 0.000 0.407 1138 L N 0.365 121.603 121.223 0.026 0.000 2.141 1138 L HA -0.121 4.219 4.340 0.000 0.000 0.209 1138 L C 1.944 178.873 176.870 0.099 0.000 1.094 1138 L CA 1.743 56.617 54.840 0.057 0.000 0.763 1138 L CB -0.882 41.189 42.059 0.020 0.000 0.908 1138 L HN 0.288 nan 8.230 nan 0.000 0.437 1139 N N -0.387 118.344 118.700 0.052 0.000 2.084 1139 N HA -0.205 4.535 4.740 0.000 0.000 0.190 1139 N C 1.942 177.476 175.510 0.040 0.000 1.030 1139 N CA 1.580 54.649 53.050 0.032 0.000 0.849 1139 N CB -0.446 38.042 38.487 0.001 0.000 1.012 1139 N HN 0.377 nan 8.380 nan 0.000 0.423 1140 L N -0.341 120.913 121.223 0.051 0.000 2.017 1140 L HA -0.209 4.131 4.340 0.000 0.000 0.208 1140 L C 2.244 179.156 176.870 0.069 0.000 1.073 1140 L CA 1.305 56.173 54.840 0.047 0.000 0.745 1140 L CB -0.372 41.716 42.059 0.048 0.000 0.894 1140 L HN 0.166 nan 8.230 nan 0.000 0.432 1141 Y N 1.185 121.480 120.300 -0.009 0.000 2.128 1141 Y HA -0.325 4.225 4.550 0.000 0.000 0.284 1141 Y C 2.441 178.338 175.900 -0.005 0.000 1.154 1141 Y CA 2.137 60.234 58.100 -0.005 0.000 1.149 1141 Y CB -0.243 38.215 38.460 -0.003 0.000 0.976 1141 Y HN 0.298 nan 8.280 nan 0.000 0.505 1142 N N 0.270 119.013 118.700 0.072 0.000 2.244 1142 N HA -0.119 4.621 4.740 0.000 0.000 0.183 1142 N C 1.939 177.406 175.510 -0.071 0.000 1.016 1142 N CA 1.184 54.224 53.050 -0.016 0.000 0.866 1142 N CB -0.624 37.891 38.487 0.047 0.000 0.980 1142 N HN 0.530 nan 8.380 nan 0.000 0.430 1143 A N 0.690 123.482 122.820 -0.047 0.000 1.877 1143 A HA -0.071 4.249 4.320 0.000 0.000 0.216 1143 A C 2.468 180.012 177.584 -0.066 0.000 1.186 1143 A CA 1.292 53.301 52.037 -0.046 0.000 0.620 1143 A CB -0.755 18.228 19.000 -0.027 0.000 0.822 1143 A HN 0.094 nan 8.150 nan 0.000 0.443 1144 V N -0.136 119.720 119.914 -0.097 0.000 2.427 1144 V HA -0.201 3.919 4.120 0.000 0.000 0.248 1144 V C 3.031 179.032 176.094 -0.154 0.000 1.051 1144 V CA 1.741 63.974 62.300 -0.113 0.000 1.048 1144 V CB -1.177 30.573 31.823 -0.123 0.000 0.666 1144 V HN 0.611 nan 8.190 nan 0.000 0.456 1145 A N -0.207 122.465 122.820 -0.246 0.000 1.940 1145 A HA -0.160 4.160 4.320 0.000 0.000 0.219 1145 A C 2.357 179.873 177.584 -0.113 0.000 1.176 1145 A CA 2.165 54.060 52.037 -0.236 0.000 0.631 1145 A CB -0.562 18.252 19.000 -0.309 0.000 0.814 1145 A HN 0.360 nan 8.150 nan 0.000 0.446 1146 V N -0.640 119.226 119.914 -0.079 0.000 2.488 1146 V HA -0.092 4.028 4.120 0.000 0.000 0.246 1146 V C 2.892 178.993 176.094 0.011 0.000 1.046 1146 V CA 1.546 63.836 62.300 -0.018 0.000 1.053 1146 V CB -0.857 30.955 31.823 -0.019 0.000 0.679 1146 V HN 0.581 nan 8.190 nan 0.000 0.458 1147 A N -0.665 122.147 122.820 -0.013 0.000 2.119 1147 A HA -0.091 4.229 4.320 0.000 0.000 0.217 1147 A C 2.306 179.885 177.584 -0.008 0.000 1.153 1147 A CA 1.683 53.719 52.037 -0.002 0.000 0.692 1147 A CB -0.291 18.702 19.000 -0.011 0.000 0.799 1147 A HN 0.490 nan 8.150 nan 0.000 0.458 1148 S N 0.081 115.765 115.700 -0.026 0.000 2.524 1148 S HA 0.049 4.519 4.470 0.000 0.000 0.216 1148 S C 0.734 175.324 174.600 -0.017 0.000 0.987 1148 S CA -0.410 57.773 58.200 -0.028 0.000 0.909 1148 S CB -0.166 63.004 63.200 -0.050 0.000 0.781 1148 S HN 0.594 nan 8.310 nan 0.000 0.521 1149 N N 2.125 120.824 118.700 -0.002 0.000 2.458 1149 N HA 0.135 4.875 4.740 0.000 0.000 0.270 1149 N C 0.760 176.281 175.510 0.017 0.000 1.102 1149 N CA 0.015 53.074 53.050 0.014 0.000 0.967 1149 N CB 1.332 39.847 38.487 0.047 0.000 1.078 1149 N HN -0.081 nan 8.380 nan 0.000 0.471 1150 K N 2.636 123.034 120.400 -0.004 0.000 2.147 1150 K HA -0.053 4.267 4.320 0.000 0.000 0.205 1150 K C 0.496 177.071 176.600 -0.043 0.000 1.049 1150 K CA 1.539 57.813 56.287 -0.021 0.000 0.936 1150 K CB 0.070 32.552 32.500 -0.029 0.000 0.722 1150 K HN 0.513 nan 8.250 nan 0.000 0.446 1151 D N -0.247 120.132 120.400 -0.035 0.000 2.350 1151 D HA -0.046 4.594 4.640 0.000 0.000 0.216 1151 D C 0.978 177.170 176.300 -0.180 0.000 0.968 1151 D CA 0.689 54.618 54.000 -0.119 0.000 0.894 1151 D CB 0.198 40.959 40.800 -0.065 0.000 0.909 1151 D HN 0.186 nan 8.370 nan 0.000 0.520 1152 S N 0.096 115.799 115.700 0.006 0.000 2.527 1152 S HA 0.039 4.509 4.470 0.000 0.000 0.222 1152 S C 0.882 175.462 174.600 -0.032 0.000 0.985 1152 S CA -0.111 58.137 58.200 0.080 0.000 0.921 1152 S CB 0.488 63.803 63.200 0.191 0.000 0.772 1152 S HN 0.236 nan 8.310 nan 0.000 0.529 1153 R N 0.756 121.219 120.500 -0.063 0.000 2.643 1153 R HA 0.346 4.686 4.340 0.000 0.000 0.270 1153 R C 1.292 177.547 176.300 -0.076 0.000 1.061 1153 R CA 0.589 56.658 56.100 -0.051 0.000 1.107 1153 R CB -0.109 30.165 30.300 -0.043 0.000 0.999 1153 R HN 0.274 nan 8.270 nan 0.000 0.460 1154 G N 1.476 110.264 108.800 -0.019 0.000 2.168 1154 G HA2 -0.289 3.671 3.960 0.000 0.000 0.257 1154 G HA3 -0.289 3.671 3.960 0.000 0.000 0.257 1154 G C 0.617 175.530 174.900 0.022 0.000 0.997 1154 G CA 0.283 45.403 45.100 0.033 0.000 0.708 1154 G HN 0.534 nan 8.290 nan 0.000 0.520 1155 K N 0.117 120.460 120.400 -0.095 0.000 2.353 1155 K HA 0.417 4.737 4.320 0.000 0.000 0.195 1155 K C 1.482 177.846 176.600 -0.392 0.000 1.031 1155 K CA 0.807 56.979 56.287 -0.192 0.000 1.079 1155 K CB 0.593 33.007 32.500 -0.143 0.000 0.857 1155 K HN 1.636 nan 8.250 nan 0.000 0.535 1156 G N 1.024 109.584 108.800 -0.400 0.000 2.728 1156 G HA2 -0.243 3.717 3.960 0.000 0.000 0.294 1156 G HA3 -0.243 3.717 3.960 0.000 0.000 0.294 1156 G C -0.481 174.357 174.900 -0.103 0.000 1.342 1156 G CA -0.601 44.251 45.100 -0.413 0.000 0.866 1156 G HN -0.069 nan 8.290 nan 0.000 0.534 1157 V N 0.802 120.702 119.914 -0.024 0.000 2.655 1157 V HA 0.452 4.572 4.120 0.000 0.000 0.300 1157 V C 1.087 177.200 176.094 0.032 0.000 1.044 1157 V CA 0.427 62.742 62.300 0.026 0.000 1.095 1157 V CB 0.681 32.538 31.823 0.057 0.000 0.952 1157 V HN 0.664 nan 8.190 nan 0.000 0.485 1158 L N 5.149 126.393 121.223 0.035 0.000 2.323 1158 L HA 0.807 5.147 4.340 0.000 0.000 0.265 1158 L C -0.532 176.334 176.870 -0.006 0.000 1.012 1158 L CA -0.922 53.938 54.840 0.034 0.000 0.820 1158 L CB 2.066 44.164 42.059 0.064 0.000 1.334 1158 L HN 0.477 nan 8.230 nan 0.000 0.427 1159 V N 0.411 120.306 119.914 -0.033 0.000 2.577 1159 V HA 0.635 4.755 4.120 0.000 0.000 0.303 1159 V C -0.371 175.665 176.094 -0.096 0.000 1.042 1159 V CA -0.019 62.225 62.300 -0.093 0.000 0.872 1159 V CB 2.016 33.747 31.823 -0.153 0.000 0.998 1159 V HN 0.856 nan 8.190 nan 0.000 0.423 1160 T N 5.010 119.504 114.554 -0.101 0.000 2.963 1160 T HA 0.770 5.120 4.350 0.000 0.000 0.343 1160 T C -0.583 174.069 174.700 -0.080 0.000 1.146 1160 T CA -0.463 61.589 62.100 -0.079 0.000 1.016 1160 T CB 0.384 69.218 68.868 -0.057 0.000 1.046 1160 T HN 0.722 nan 8.240 nan 0.000 0.496 1161 M N 2.879 122.435 119.600 -0.073 0.000 2.520 1161 M HA 0.467 4.947 4.480 0.000 0.000 0.283 1161 M C -0.012 176.286 176.300 -0.003 0.000 1.237 1161 M CA -0.753 54.518 55.300 -0.047 0.000 0.885 1161 M CB 2.230 34.776 32.600 -0.091 0.000 1.727 1161 M HN 0.610 nan 8.290 nan 0.000 0.468 1162 N N 1.675 120.383 118.700 0.014 0.000 2.747 1162 N HA -0.182 4.558 4.740 0.000 0.000 0.249 1162 N C -0.833 174.683 175.510 0.010 0.000 1.107 1162 N CA 1.532 54.595 53.050 0.021 0.000 0.707 1162 N CB -0.940 37.570 38.487 0.039 0.000 1.054 1162 N HN 0.896 nan 8.380 nan 0.000 0.555 1163 D N -2.411 117.994 120.400 0.009 0.000 3.079 1163 D HA -0.209 4.431 4.640 0.000 0.000 0.214 1163 D C -0.410 175.888 176.300 -0.002 0.000 1.145 1163 D CA 1.645 55.651 54.000 0.011 0.000 0.958 1163 D CB -1.240 39.567 40.800 0.011 0.000 1.117 1163 D HN 0.805 nan 8.370 nan 0.000 0.416 1164 E N -0.347 119.845 120.200 -0.014 0.000 2.235 1164 E HA 0.670 5.020 4.350 0.000 0.000 0.265 1164 E C 0.288 176.850 176.600 -0.064 0.000 0.940 1164 E CA -0.843 55.540 56.400 -0.030 0.000 0.819 1164 E CB 1.858 31.551 29.700 -0.011 0.000 1.206 1164 E HN 0.047 nan 8.360 nan 0.000 0.409 1165 I N 2.659 123.165 120.570 -0.106 0.000 2.371 1165 I HA 0.149 4.319 4.170 0.000 0.000 0.282 1165 I C -0.223 175.850 176.117 -0.074 0.000 1.031 1165 I CA -0.541 60.665 61.300 -0.156 0.000 1.180 1165 I CB 0.759 38.520 38.000 -0.400 0.000 1.336 1165 I HN 0.204 nan 8.210 nan 0.000 0.467 1166 Q N 3.382 123.167 119.800 -0.026 0.000 2.235 1166 Q HA 0.355 4.695 4.340 0.000 0.000 0.256 1166 Q C -0.273 175.756 176.000 0.047 0.000 0.951 1166 Q CA -0.459 55.359 55.803 0.026 0.000 0.890 1166 Q CB 2.598 31.357 28.738 0.034 0.000 1.279 1166 Q HN 0.559 nan 8.270 nan 0.000 0.444 1167 S N 0.135 115.884 115.700 0.081 0.000 2.499 1167 S HA 0.270 4.740 4.470 0.000 0.000 0.275 1167 S C 1.215 175.859 174.600 0.073 0.000 1.257 1167 S CA 0.014 58.265 58.200 0.085 0.000 1.050 1167 S CB 0.556 63.821 63.200 0.107 0.000 0.937 1167 S HN 0.746 nan 8.310 nan 0.000 0.490 1168 G N 4.476 113.318 108.800 0.069 0.000 2.470 1168 G HA2 -0.188 3.772 3.960 0.000 0.000 0.220 1168 G HA3 -0.188 3.772 3.960 0.000 0.000 0.220 1168 G C 1.412 176.370 174.900 0.097 0.000 1.121 1168 G CA 0.586 45.737 45.100 0.084 0.000 0.766 1168 G HN 0.776 nan 8.290 nan 0.000 0.553 1169 R N 1.277 121.825 120.500 0.081 0.000 2.070 1169 R HA -0.117 4.223 4.340 0.000 0.000 0.232 1169 R C 1.480 177.615 176.300 -0.275 0.000 1.138 1169 R CA 2.120 58.168 56.100 -0.087 0.000 0.936 1169 R CB -0.279 30.039 30.300 0.030 0.000 0.839 1169 R HN 0.459 nan 8.270 nan 0.000 0.429 1170 D N -0.536 119.833 120.400 -0.052 0.000 2.431 1170 D HA 0.066 4.706 4.640 0.000 0.000 0.213 1170 D C 0.082 176.410 176.300 0.047 0.000 1.130 1170 D CA -0.387 53.612 54.000 -0.001 0.000 0.834 1170 D CB 0.528 41.416 40.800 0.147 0.000 0.985 1170 D HN 0.024 nan 8.370 nan 0.000 0.504 1171 V N 0.352 120.311 119.914 0.076 0.000 2.637 1171 V HA 0.439 4.559 4.120 0.000 0.000 0.296 1171 V C -0.256 175.936 176.094 0.164 0.000 1.046 1171 V CA 0.137 62.518 62.300 0.135 0.000 1.066 1171 V CB 1.264 33.188 31.823 0.169 0.000 0.968 1171 V HN 0.304 nan 8.190 nan 0.000 0.483 1172 S N 5.033 120.810 115.700 0.129 0.000 2.549 1172 S HA 0.439 4.909 4.470 0.000 0.000 0.280 1172 S C -0.689 173.762 174.600 -0.249 0.000 1.109 1172 S CA -0.896 57.316 58.200 0.019 0.000 0.905 1172 S CB 1.502 64.688 63.200 -0.022 0.000 1.081 1172 S HN 0.917 nan 8.310 nan 0.000 0.477 1173 K N 2.558 122.646 120.400 -0.520 0.000 2.278 1173 K HA 0.293 4.613 4.320 0.000 0.000 0.289 1173 K C 0.224 176.583 176.600 -0.402 0.000 1.080 1173 K CA -0.018 55.720 56.287 -0.915 0.000 0.934 1173 K CB -0.071 31.946 32.500 -0.805 0.000 1.093 1173 K HN 0.548 nan 8.250 nan 0.000 0.459 1174 S N 4.067 119.577 115.700 -0.316 0.000 2.497 1174 S HA 0.219 4.689 4.470 0.000 0.000 0.218 1174 S C 0.412 174.931 174.600 -0.134 0.000 1.023 1174 S CA -0.134 57.963 58.200 -0.171 0.000 0.913 1174 S CB 0.258 63.384 63.200 -0.123 0.000 0.800 1174 S HN 0.529 nan 8.310 nan 0.000 0.505 1175 I N 2.292 122.773 120.570 -0.148 0.000 2.466 1175 I HA 0.370 4.540 4.170 0.000 0.000 0.289 1175 I C -0.838 175.226 176.117 -0.089 0.000 1.026 1175 I CA -0.745 60.498 61.300 -0.094 0.000 1.078 1175 I CB 1.589 39.550 38.000 -0.064 0.000 1.249 1175 I HN -0.030 nan 8.210 nan 0.000 0.429 1176 N N 5.281 123.944 118.700 -0.062 0.000 2.493 1176 N HA 0.535 5.275 4.740 0.000 0.000 0.275 1176 N C 1.122 176.624 175.510 -0.014 0.000 1.186 1176 N CA -0.124 52.902 53.050 -0.040 0.000 0.978 1176 N CB 1.687 40.153 38.487 -0.035 0.000 1.184 1176 N HN 0.740 nan 8.380 nan 0.000 0.487 1177 I N -1.551 119.024 120.570 0.009 0.000 4.519 1177 I HA -0.455 3.715 4.170 0.000 0.000 0.056 1177 I C 0.224 176.356 176.117 0.025 0.000 0.610 1177 I CA 1.543 62.857 61.300 0.024 0.000 0.951 1177 I CB -0.973 37.035 38.000 0.014 0.000 0.858 1177 I HN 0.491 nan 8.210 nan 0.000 0.164 1178 K N 1.772 122.179 120.400 0.013 0.000 2.319 1178 K HA 0.139 4.459 4.320 0.000 0.000 0.265 1178 K C 1.371 177.990 176.600 0.032 0.000 1.000 1178 K CA 0.722 57.018 56.287 0.016 0.000 0.943 1178 K CB 0.392 32.895 32.500 0.005 0.000 0.950 1178 K HN 0.509 nan 8.250 nan 0.000 0.485 1179 T N -1.747 112.828 114.554 0.035 0.000 2.962 1179 T HA -0.128 4.222 4.350 0.000 0.000 0.270 1179 T C 1.084 175.828 174.700 0.074 0.000 1.088 1179 T CA 0.893 63.025 62.100 0.053 0.000 1.127 1179 T CB -0.105 68.783 68.868 0.035 0.000 0.883 1179 T HN 0.738 nan 8.240 nan 0.000 0.493 1180 E N 1.453 121.684 120.200 0.051 0.000 2.320 1180 E HA 0.369 4.719 4.350 0.000 0.000 0.189 1180 E C 1.679 178.315 176.600 0.059 0.000 1.100 1180 E CA 0.274 56.709 56.400 0.057 0.000 1.009 1180 E CB -0.187 29.528 29.700 0.025 0.000 1.145 1180 E HN 0.541 nan 8.360 nan 0.000 0.454 1181 A N 1.061 123.925 122.820 0.073 0.000 1.958 1181 A HA -0.147 4.173 4.320 0.000 0.000 0.221 1181 A C 0.634 178.117 177.584 -0.168 0.000 1.178 1181 A CA 0.860 52.873 52.037 -0.040 0.000 0.642 1181 A CB -0.579 18.394 19.000 -0.045 0.000 0.816 1181 A HN 0.308 nan 8.150 nan 0.000 0.453 1182 F N 0.547 120.495 119.950 -0.003 0.000 2.424 1182 F HA 0.456 4.983 4.527 0.000 0.000 0.356 1182 F C 0.595 176.387 175.800 -0.014 0.000 1.110 1182 F CA -0.031 57.965 58.000 -0.006 0.000 1.161 1182 F CB 1.039 40.038 39.000 -0.001 0.000 1.115 1182 F HN -0.046 nan 8.300 nan 0.000 0.507 1183 K N 1.410 121.847 120.400 0.062 0.000 2.480 1183 K HA 0.623 4.943 4.320 0.000 0.000 0.258 1183 K C -1.058 175.551 176.600 0.015 0.000 0.990 1183 K CA -0.942 55.361 56.287 0.026 0.000 0.857 1183 K CB 2.270 34.751 32.500 -0.032 0.000 1.384 1183 K HN 0.453 nan 8.250 nan 0.000 0.446 1184 S N -0.387 115.306 115.700 -0.011 0.000 2.547 1184 S HA 0.509 4.979 4.470 0.000 0.000 0.281 1184 S C 0.501 175.004 174.600 -0.162 0.000 1.118 1184 S CA -0.119 58.057 58.200 -0.040 0.000 0.947 1184 S CB 1.556 64.783 63.200 0.046 0.000 1.053 1184 S HN 0.604 nan 8.310 nan 0.000 0.482 1185 A N 3.234 125.834 122.820 -0.366 0.000 2.024 1185 A HA 0.011 4.331 4.320 0.000 0.000 0.220 1185 A C 0.987 178.099 177.584 -0.786 0.000 1.164 1185 A CA 1.032 52.654 52.037 -0.691 0.000 0.643 1185 A CB -0.608 17.758 19.000 -1.056 0.000 0.806 1185 A HN 0.933 nan 8.150 nan 0.000 0.451 1186 W N -0.672 120.645 121.300 0.028 0.000 3.239 1186 W HA 0.457 5.117 4.660 0.000 0.000 0.348 1186 W C 1.177 177.717 176.519 0.036 0.000 1.183 1186 W CA 0.276 57.641 57.345 0.033 0.000 1.819 1186 W CB -0.157 29.324 29.460 0.036 0.000 1.091 1186 W HN 0.595 nan 8.180 nan 0.000 0.629 1187 G N 1.842 110.702 108.800 0.101 0.000 2.781 1187 G HA2 -0.191 3.770 3.960 0.000 0.000 0.683 1187 G HA3 -0.191 3.770 3.960 0.000 0.000 0.683 1187 G C -2.438 172.523 174.900 0.102 0.000 1.390 1187 G CA -1.234 43.913 45.100 0.080 0.000 0.850 1187 G HN -0.115 nan 8.290 nan 0.000 0.557 1188 P HA 0.366 nan 4.420 nan 0.000 0.276 1188 P C 1.187 178.554 177.300 0.112 0.000 1.244 1188 P CA -0.573 62.569 63.100 0.070 0.000 0.801 1188 P CB 0.852 32.569 31.700 0.028 0.000 1.006 1189 L N -0.100 121.191 121.223 0.114 0.000 2.240 1189 L HA 0.189 4.529 4.340 0.000 0.000 0.211 1189 L C 1.505 178.481 176.870 0.177 0.000 1.106 1189 L CA 1.328 56.286 54.840 0.197 0.000 0.793 1189 L CB -0.528 41.696 42.059 0.275 0.000 0.927 1189 L HN 0.647 nan 8.230 nan 0.000 0.446 1190 G N -1.484 107.323 108.800 0.012 0.000 2.435 1190 G HA2 0.479 4.439 3.960 0.000 0.000 0.296 1190 G HA3 0.479 4.439 3.960 0.000 0.000 0.296 1190 G C -1.477 173.414 174.900 -0.015 0.000 1.240 1190 G CA -0.638 44.492 45.100 0.051 0.000 0.872 1190 G HN -0.173 nan 8.290 nan 0.000 0.480 1191 M N -0.512 119.096 119.600 0.012 0.000 2.618 1191 M HA 0.612 5.092 4.480 0.000 0.000 0.281 1191 M C -1.283 175.040 176.300 0.039 0.000 1.267 1191 M CA -0.915 54.403 55.300 0.029 0.000 0.845 1191 M CB 2.884 35.541 32.600 0.095 0.000 1.732 1191 M HN 0.331 nan 8.290 nan 0.000 0.461 1192 V N 1.841 121.782 119.914 0.046 0.000 2.443 1192 V HA 0.669 4.789 4.120 0.000 0.000 0.293 1192 V C -0.975 175.195 176.094 0.126 0.000 1.021 1192 V CA -0.729 61.616 62.300 0.074 0.000 0.848 1192 V CB 1.651 33.477 31.823 0.004 0.000 0.998 1192 V HN 0.616 nan 8.190 nan 0.000 0.424 1193 V N 2.946 122.990 119.914 0.216 0.000 2.638 1193 V HA 0.476 4.596 4.120 0.000 0.000 0.306 1193 V C 0.150 176.364 176.094 0.200 0.000 1.052 1193 V CA -0.819 61.585 62.300 0.173 0.000 0.885 1193 V CB 1.714 33.604 31.823 0.112 0.000 0.999 1193 V HN 1.019 nan 8.190 nan 0.000 0.424 1194 E N 3.380 123.678 120.200 0.163 0.000 2.183 1194 E HA -0.306 4.044 4.350 0.000 0.000 0.196 1194 E C 1.322 178.046 176.600 0.206 0.000 1.364 1194 E CA 0.651 57.154 56.400 0.172 0.000 0.700 1194 E CB -1.172 28.599 29.700 0.118 0.000 1.106 1194 E HN 1.545 nan 8.360 nan 0.000 0.347 1195 G N -0.008 108.944 108.800 0.254 0.000 2.302 1195 G HA2 -0.386 3.574 3.960 0.000 0.000 0.263 1195 G HA3 -0.386 3.574 3.960 0.000 0.000 0.263 1195 G C 0.381 175.294 174.900 0.022 0.000 0.995 1195 G CA 0.993 46.163 45.100 0.116 0.000 0.622 1195 G HN 0.297 nan 8.290 nan 0.000 0.538 1196 K N 0.762 121.192 120.400 0.050 0.000 2.110 1196 K HA 0.592 4.912 4.320 0.000 0.000 0.263 1196 K C -0.387 176.121 176.600 -0.154 0.000 0.975 1196 K CA -0.260 55.974 56.287 -0.087 0.000 0.895 1196 K CB 1.439 33.852 32.500 -0.146 0.000 1.060 1196 K HN 0.141 nan 8.250 nan 0.000 0.448 1197 S N 1.606 117.117 115.700 -0.316 0.000 2.475 1197 S HA 0.448 4.918 4.470 0.000 0.000 0.298 1197 S C -1.270 173.005 174.600 -0.541 0.000 1.119 1197 S CA -0.614 57.406 58.200 -0.300 0.000 1.085 1197 S CB 0.398 63.506 63.200 -0.153 0.000 1.028 1197 S HN 0.319 nan 8.310 nan 0.000 0.489 1198 Y N 0.830 120.976 120.300 -0.257 0.000 2.338 1198 Y HA 0.435 4.985 4.550 0.000 0.000 0.333 1198 Y C -0.833 174.790 175.900 -0.461 0.000 0.968 1198 Y CA -0.892 57.055 58.100 -0.256 0.000 1.123 1198 Y CB 0.928 39.311 38.460 -0.128 0.000 1.165 1198 Y HN 0.643 nan 8.280 nan 0.000 0.452 1199 W N 3.347 124.495 121.300 -0.254 0.000 2.496 1199 W HA 0.520 5.180 4.660 0.000 0.000 0.327 1199 W C -0.296 175.953 176.519 -0.450 0.000 1.086 1199 W CA -0.466 56.757 57.345 -0.204 0.000 1.222 1199 W CB 0.668 30.063 29.460 -0.109 0.000 1.304 1199 W HN 0.513 nan 8.180 nan 0.000 0.547 1200 F N 0.617 120.734 119.950 0.278 0.000 2.819 1200 F HA 0.317 4.844 4.527 0.000 0.000 0.325 1200 F C 0.915 176.819 175.800 0.174 0.000 1.041 1200 F CA -0.164 57.946 58.000 0.184 0.000 1.184 1200 F CB 0.225 39.294 39.000 0.115 0.000 1.019 1200 F HN -0.033 nan 8.300 nan 0.000 0.590 1201 R N 0.671 121.402 120.500 0.384 0.000 2.808 1201 R HA 0.680 5.020 4.340 0.000 0.000 0.272 1201 R C -1.325 175.134 176.300 0.264 0.000 0.995 1201 R CA -0.677 55.588 56.100 0.274 0.000 0.917 1201 R CB 2.232 32.678 30.300 0.243 0.000 1.217 1201 R HN 0.004 nan 8.270 nan 0.000 0.471 1202 L N 1.862 123.182 121.223 0.162 0.000 2.354 1202 L HA 0.553 4.893 4.340 0.000 0.000 0.269 1202 L C -1.977 174.950 176.870 0.095 0.000 1.005 1202 L CA -2.068 52.835 54.840 0.106 0.000 0.819 1202 L CB 1.939 44.019 42.059 0.035 0.000 1.311 1202 L HN 0.302 nan 8.230 nan 0.000 0.423 1203 P HA 0.214 nan 4.420 nan 0.000 0.272 1203 P C -0.309 177.035 177.300 0.072 0.000 1.223 1203 P CA -0.246 62.907 63.100 0.089 0.000 0.784 1203 P CB 1.034 32.784 31.700 0.083 0.000 0.923 1204 A N 1.013 123.858 122.820 0.041 0.000 2.456 1204 A HA 0.138 4.458 4.320 0.000 0.000 0.237 1204 A C 0.465 178.040 177.584 -0.015 0.000 1.217 1204 A CA 0.192 52.227 52.037 -0.003 0.000 0.962 1204 A CB 0.111 19.082 19.000 -0.049 0.000 1.079 1204 A HN 0.305 nan 8.150 nan 0.000 0.536 1205 K N 1.095 121.511 120.400 0.027 0.000 2.118 1205 K HA 0.434 4.754 4.320 0.000 0.000 0.254 1205 K C -0.385 176.209 176.600 -0.009 0.000 0.961 1205 K CA -0.597 55.692 56.287 0.003 0.000 0.876 1205 K CB 1.068 33.608 32.500 0.066 0.000 1.077 1205 K HN 0.322 nan 8.250 nan 0.000 0.440 1206 R N 1.748 122.113 120.500 -0.224 0.000 2.640 1206 R HA 0.028 4.368 4.340 0.000 0.000 0.270 1206 R C 0.122 176.370 176.300 -0.086 0.000 1.024 1206 R CA 0.475 56.354 56.100 -0.369 0.000 1.085 1206 R CB -0.065 29.724 30.300 -0.852 0.000 0.963 1206 R HN 0.789 nan 8.270 nan 0.000 0.426 1207 H N -1.732 117.331 119.070 -0.011 0.000 2.981 1207 H HA 0.205 4.761 4.556 0.000 0.000 0.327 1207 H C 0.502 175.867 175.328 0.062 0.000 1.342 1207 H CA -0.365 55.736 56.048 0.088 0.000 1.123 1207 H CB 0.325 30.138 29.762 0.085 0.000 1.851 1207 H HN 0.667 nan 8.280 nan 0.000 0.531 1208 T N -1.319 113.397 114.554 0.271 0.000 1.863 1208 T HA -0.405 3.945 4.350 0.000 0.000 0.084 1208 T C 1.957 176.691 174.700 0.056 0.000 1.787 1208 T CA 3.757 65.956 62.100 0.164 0.000 0.730 1208 T CB -2.130 66.868 68.868 0.217 0.000 0.778 1208 T HN 1.515 nan 8.240 nan 0.000 0.392 1209 V N 2.042 121.975 119.914 0.032 0.000 2.439 1209 V HA -0.203 3.917 4.120 0.000 0.000 0.253 1209 V C 1.890 177.941 176.094 -0.072 0.000 1.074 1209 V CA 2.517 64.803 62.300 -0.023 0.000 1.076 1209 V CB -1.727 30.083 31.823 -0.022 0.000 0.664 1209 V HN 1.014 nan 8.190 nan 0.000 0.461 1210 N N 0.284 118.897 118.700 -0.145 0.000 2.251 1210 N HA 0.173 4.913 4.740 0.000 0.000 0.217 1210 N C 0.418 175.857 175.510 -0.118 0.000 1.124 1210 N CA 0.498 53.453 53.050 -0.159 0.000 0.843 1210 N CB 0.278 38.623 38.487 -0.237 0.000 1.024 1210 N HN 0.492 nan 8.380 nan 0.000 0.501 1211 S N 0.617 116.300 115.700 -0.029 0.000 2.562 1211 S HA 0.053 4.523 4.470 0.000 0.000 0.275 1211 S C 0.979 175.560 174.600 -0.030 0.000 1.281 1211 S CA -0.732 57.532 58.200 0.108 0.000 1.045 1211 S CB 0.749 64.086 63.200 0.229 0.000 0.962 1211 S HN 0.479 nan 8.310 nan 0.000 0.503 1212 E N 3.213 123.298 120.200 -0.190 0.000 2.489 1212 E HA 0.090 4.440 4.350 0.000 0.000 0.193 1212 E C -0.753 175.518 176.600 -0.547 0.000 1.057 1212 E CA 0.019 56.178 56.400 -0.401 0.000 0.866 1212 E CB -0.067 29.342 29.700 -0.485 0.000 0.916 1212 E HN 0.576 nan 8.360 nan 0.000 0.500 1213 F N 1.143 121.070 119.950 -0.038 0.000 2.458 1213 F HA 0.452 4.979 4.527 0.000 0.000 0.330 1213 F C 0.021 175.772 175.800 -0.081 0.000 1.082 1213 F CA -1.283 56.662 58.000 -0.092 0.000 0.995 1213 F CB 1.558 40.453 39.000 -0.174 0.000 1.170 1213 F HN -0.174 nan 8.300 nan 0.000 0.478 1214 D N 2.012 122.478 120.400 0.110 0.000 2.855 1214 D HA 0.174 4.814 4.640 0.000 0.000 0.241 1214 D C 0.378 176.687 176.300 0.014 0.000 1.277 1214 D CA -0.438 53.582 54.000 0.033 0.000 0.918 1214 D CB 1.707 42.518 40.800 0.018 0.000 1.462 1214 D HN 0.449 nan 8.370 nan 0.000 0.559 1215 I N 3.989 124.545 120.570 -0.025 0.000 2.399 1215 I HA -0.181 3.989 4.170 0.000 0.000 0.254 1215 I C 1.748 177.877 176.117 0.020 0.000 1.146 1215 I CA 1.640 62.930 61.300 -0.016 0.000 1.412 1215 I CB 0.057 38.037 38.000 -0.033 0.000 1.076 1215 I HN 0.384 nan 8.210 nan 0.000 0.432 1216 K N -0.324 120.086 120.400 0.016 0.000 2.288 1216 K HA -0.068 4.252 4.320 0.000 0.000 0.201 1216 K C 1.359 177.973 176.600 0.023 0.000 1.048 1216 K CA 0.739 57.038 56.287 0.020 0.000 0.956 1216 K CB -0.006 32.502 32.500 0.014 0.000 0.746 1216 K HN 0.414 nan 8.250 nan 0.000 0.461 1217 Q N -0.012 119.803 119.800 0.026 0.000 2.247 1217 Q HA 0.207 4.547 4.340 0.000 0.000 0.204 1217 Q C 0.046 176.069 176.000 0.037 0.000 0.872 1217 Q CA 0.259 56.080 55.803 0.030 0.000 0.951 1217 Q CB 0.779 29.535 28.738 0.031 0.000 1.099 1217 Q HN 0.288 nan 8.270 nan 0.000 0.501 1218 I N 0.886 121.481 120.570 0.041 0.000 2.354 1218 I HA 0.138 4.308 4.170 0.000 0.000 0.286 1218 I C 0.686 176.834 176.117 0.051 0.000 1.007 1218 I CA -0.098 61.232 61.300 0.049 0.000 1.167 1218 I CB 1.724 39.760 38.000 0.061 0.000 1.320 1218 I HN -0.111 nan 8.210 nan 0.000 0.458 1219 S N 2.843 118.567 115.700 0.040 0.000 2.456 1219 S HA 0.087 4.557 4.470 0.000 0.000 0.224 1219 S C 0.579 175.198 174.600 0.032 0.000 1.035 1219 S CA 0.124 58.345 58.200 0.034 0.000 0.940 1219 S CB 0.219 63.434 63.200 0.025 0.000 0.799 1219 S HN 0.787 nan 8.310 nan 0.000 0.508 1220 S N 0.515 116.233 115.700 0.030 0.000 2.607 1220 S HA 0.720 5.190 4.470 0.000 0.000 0.273 1220 S C -1.592 173.020 174.600 0.021 0.000 1.148 1220 S CA -0.970 57.242 58.200 0.021 0.000 0.833 1220 S CB 1.269 64.476 63.200 0.012 0.000 1.130 1220 S HN -0.007 nan 8.310 nan 0.000 0.470 1221 L N 2.296 123.523 121.223 0.007 0.000 2.329 1221 L HA 0.666 5.006 4.340 0.000 0.000 0.279 1221 L C -2.106 174.760 176.870 -0.006 0.000 1.014 1221 L CA -1.770 53.071 54.840 0.001 0.000 0.814 1221 L CB 0.943 42.993 42.059 -0.016 0.000 1.257 1221 L HN 0.687 nan 8.230 nan 0.000 0.424 1222 P HA 0.094 nan 4.420 nan 0.000 0.272 1222 P C -0.689 176.609 177.300 -0.004 0.000 1.223 1222 P CA -0.518 62.581 63.100 -0.000 0.000 0.784 1222 P CB 1.040 32.743 31.700 0.004 0.000 0.923 1223 Q N 0.990 120.790 119.800 -0.001 0.000 2.296 1223 Q HA 0.348 4.688 4.340 0.000 0.000 0.262 1223 Q C -1.245 174.758 176.000 0.004 0.000 0.981 1223 Q CA -0.272 55.529 55.803 -0.002 0.000 0.905 1223 Q CB 0.479 29.216 28.738 -0.001 0.000 1.186 1223 Q HN 0.233 nan 8.270 nan 0.000 0.399 1224 V N 4.931 124.847 119.914 0.005 0.000 2.623 1224 V HA 0.398 4.518 4.120 0.000 0.000 0.304 1224 V C -0.719 175.382 176.094 0.012 0.000 1.054 1224 V CA -0.820 61.489 62.300 0.014 0.000 0.882 1224 V CB 2.090 33.929 31.823 0.027 0.000 1.002 1224 V HN 0.876 nan 8.190 nan 0.000 0.424 1225 D N 3.312 123.718 120.400 0.009 0.000 2.497 1225 D HA 0.678 5.318 4.640 0.000 0.000 0.243 1225 D C -0.886 175.414 176.300 -0.000 0.000 1.039 1225 D CA -0.393 53.608 54.000 0.001 0.000 1.052 1225 D CB 3.055 43.848 40.800 -0.012 0.000 1.344 1225 D HN 0.311 nan 8.370 nan 0.000 0.553 1226 I N 0.666 121.230 120.570 -0.009 0.000 2.498 1226 I HA 0.492 4.662 4.170 0.000 0.000 0.290 1226 I C -0.463 175.620 176.117 -0.056 0.000 1.032 1226 I CA -0.804 60.491 61.300 -0.007 0.000 1.073 1226 I CB 2.008 40.029 38.000 0.035 0.000 1.251 1226 I HN 0.256 nan 8.210 nan 0.000 0.426 1227 A N 5.395 128.139 122.820 -0.127 0.000 2.330 1227 A HA 0.629 4.949 4.320 0.000 0.000 0.327 1227 A C -1.492 176.065 177.584 -0.044 0.000 1.155 1227 A CA -0.380 51.489 52.037 -0.281 0.000 0.803 1227 A CB 0.866 19.239 19.000 -1.046 0.000 1.208 1227 A HN 0.614 nan 8.150 nan 0.000 0.477 1228 Y N 1.511 121.784 120.300 -0.044 0.000 2.310 1228 Y HA 0.526 5.076 4.550 0.000 0.000 0.326 1228 Y C 0.717 176.803 175.900 0.311 0.000 1.151 1228 Y CA 0.351 58.526 58.100 0.126 0.000 1.195 1228 Y CB 1.542 40.070 38.460 0.112 0.000 1.210 1228 Y HN 0.626 nan 8.280 nan 0.000 0.483 1229 S N 5.006 120.733 115.700 0.046 0.000 2.503 1229 S HA 0.782 5.252 4.470 0.000 0.000 0.301 1229 S C -1.663 173.089 174.600 0.254 0.000 1.087 1229 S CA -0.257 58.025 58.200 0.136 0.000 1.042 1229 S CB 0.409 63.668 63.200 0.100 0.000 1.043 1229 S HN 0.625 nan 8.310 nan 0.000 0.489 1230 Y N -0.201 120.171 120.300 0.121 0.000 2.895 1230 Y HA 0.647 5.197 4.550 0.000 0.000 0.339 1230 Y C 0.030 175.995 175.900 0.108 0.000 1.363 1230 Y CA -1.269 56.911 58.100 0.133 0.000 1.085 1230 Y CB -0.055 38.504 38.460 0.165 0.000 1.500 1230 Y HN 0.696 nan 8.280 nan 0.000 0.442 1231 G N 1.262 110.200 108.800 0.230 0.000 2.305 1231 G HA2 0.284 4.244 3.960 0.000 0.000 0.243 1231 G HA3 0.284 4.244 3.960 0.000 0.000 0.243 1231 G C 0.088 175.028 174.900 0.066 0.000 1.288 1231 G CA 0.730 45.899 45.100 0.114 0.000 0.901 1231 G HN 1.133 nan 8.290 nan 0.000 0.516 1232 N N -0.764 117.925 118.700 -0.019 0.000 2.782 1232 N HA -0.223 4.517 4.740 0.000 0.000 0.251 1232 N C 0.306 175.741 175.510 -0.124 0.000 1.101 1232 N CA 0.949 53.984 53.050 -0.025 0.000 0.764 1232 N CB -1.212 37.310 38.487 0.059 0.000 1.122 1232 N HN 0.641 nan 8.380 nan 0.000 0.561 1233 V N 0.602 120.298 119.914 -0.363 0.000 2.811 1233 V HA 0.505 4.625 4.120 0.000 0.000 0.302 1233 V C 1.045 177.048 176.094 -0.151 0.000 1.063 1233 V CA 0.824 62.829 62.300 -0.492 0.000 1.088 1233 V CB 1.064 32.432 31.823 -0.760 0.000 0.982 1233 V HN 0.406 nan 8.190 nan 0.000 0.485 1234 T N 1.840 116.373 114.554 -0.037 0.000 2.938 1234 T HA 0.430 4.780 4.350 0.000 0.000 0.285 1234 T C 0.402 175.155 174.700 0.089 0.000 1.028 1234 T CA -0.002 62.109 62.100 0.017 0.000 1.005 1234 T CB 1.415 70.306 68.868 0.040 0.000 1.157 1234 T HN 0.755 nan 8.240 nan 0.000 0.550 1235 D N -0.762 119.673 120.400 0.058 0.000 2.349 1235 D HA 0.046 4.686 4.640 0.000 0.000 0.224 1235 D C 1.475 177.894 176.300 0.198 0.000 1.029 1235 D CA 0.158 54.220 54.000 0.103 0.000 0.879 1235 D CB -0.801 39.989 40.800 -0.016 0.000 0.906 1235 D HN 0.519 nan 8.370 nan 0.000 0.528 1236 T N 0.527 115.171 114.554 0.149 0.000 2.570 1236 T HA -0.252 4.098 4.350 0.000 0.000 0.266 1236 T C 2.110 176.882 174.700 0.119 0.000 1.071 1236 T CA 2.440 64.609 62.100 0.115 0.000 1.172 1236 T CB -0.684 68.239 68.868 0.091 0.000 0.864 1236 T HN 0.431 nan 8.240 nan 0.000 0.421 1237 A N 0.295 123.185 122.820 0.117 0.000 1.908 1237 A HA -0.103 4.217 4.320 0.000 0.000 0.218 1237 A C 2.091 179.667 177.584 -0.014 0.000 1.181 1237 A CA 1.655 53.703 52.037 0.018 0.000 0.627 1237 A CB -1.133 17.837 19.000 -0.051 0.000 0.818 1237 A HN 0.614 nan 8.150 nan 0.000 0.445 1238 Y N 0.205 120.522 120.300 0.027 0.000 2.097 1238 Y HA -0.222 4.328 4.550 0.000 0.000 0.282 1238 Y C 2.495 178.395 175.900 0.001 0.000 1.152 1238 Y CA 2.058 60.161 58.100 0.006 0.000 1.136 1238 Y CB -0.307 38.140 38.460 -0.022 0.000 0.975 1238 Y HN 0.226 nan 8.280 nan 0.000 0.498 1239 K N -0.296 120.209 120.400 0.174 0.000 2.057 1239 K HA -0.111 4.209 4.320 0.000 0.000 0.206 1239 K C 2.423 179.059 176.600 0.060 0.000 1.050 1239 K CA 0.976 57.319 56.287 0.095 0.000 0.935 1239 K CB -0.405 32.140 32.500 0.075 0.000 0.715 1239 K HN 0.277 nan 8.250 nan 0.000 0.439 1240 A N 1.374 124.225 122.820 0.053 0.000 1.908 1240 A HA -0.179 4.141 4.320 0.000 0.000 0.218 1240 A C 2.033 179.629 177.584 0.021 0.000 1.181 1240 A CA 1.331 53.386 52.037 0.031 0.000 0.627 1240 A CB -0.508 18.507 19.000 0.026 0.000 0.818 1240 A HN 0.098 nan 8.150 nan 0.000 0.445 1241 L N -0.497 120.735 121.223 0.015 0.000 2.046 1241 L HA -0.124 4.216 4.340 0.000 0.000 0.208 1241 L C 2.970 179.849 176.870 0.015 0.000 1.077 1241 L CA 1.970 56.812 54.840 0.004 0.000 0.747 1241 L CB -1.299 40.750 42.059 -0.018 0.000 0.896 1241 L HN 0.420 nan 8.230 nan 0.000 0.432 1242 A N -1.493 121.344 122.820 0.029 0.000 1.930 1242 A HA -0.219 4.101 4.320 0.000 0.000 0.217 1242 A C 2.168 179.766 177.584 0.024 0.000 1.175 1242 A CA 1.267 53.322 52.037 0.029 0.000 0.627 1242 A CB -0.427 18.598 19.000 0.040 0.000 0.815 1242 A HN 0.540 nan 8.150 nan 0.000 0.443 1243 Q N -0.508 119.307 119.800 0.025 0.000 2.226 1243 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 1243 Q C 0.576 176.585 176.000 0.015 0.000 0.975 1243 Q CA 1.383 57.198 55.803 0.020 0.000 0.866 1243 Q CB -0.180 28.571 28.738 0.021 0.000 0.915 1243 Q HN 0.695 nan 8.270 nan 0.000 0.440 1244 N N -1.116 117.592 118.700 0.012 0.000 2.322 1244 N HA 0.135 4.875 4.740 0.000 0.000 0.216 1244 N C 0.238 175.752 175.510 0.007 0.000 1.144 1244 N CA 0.589 53.643 53.050 0.008 0.000 0.830 1244 N CB 1.178 39.668 38.487 0.005 0.000 1.034 1244 N HN 0.322 nan 8.380 nan 0.000 0.484 1245 G N -0.795 108.010 108.800 0.009 0.000 2.218 1245 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 1245 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 1245 G C 0.314 175.220 174.900 0.009 0.000 0.994 1245 G CA -0.239 44.866 45.100 0.008 0.000 0.637 1245 G HN 0.519 nan 8.290 nan 0.000 0.505 1246 A N 0.717 123.542 122.820 0.009 0.000 2.545 1246 A HA 0.515 4.835 4.320 0.000 0.000 0.253 1246 A C 1.438 179.031 177.584 0.014 0.000 1.074 1246 A CA 1.120 53.163 52.037 0.010 0.000 0.760 1246 A CB 0.311 19.317 19.000 0.009 0.000 1.005 1246 A HN 0.200 nan 8.150 nan 0.000 0.506 1247 K N 0.981 121.390 120.400 0.014 0.000 2.361 1247 K HA 0.271 4.591 4.320 0.000 0.000 0.196 1247 K C 0.483 177.095 176.600 0.019 0.000 1.039 1247 K CA 1.220 57.518 56.287 0.017 0.000 1.001 1247 K CB 0.113 32.623 32.500 0.017 0.000 0.795 1247 K HN 0.850 nan 8.250 nan 0.000 0.495 1248 A N 0.725 123.556 122.820 0.018 0.000 2.520 1248 A HA 0.675 4.995 4.320 0.000 0.000 0.298 1248 A C -1.403 176.189 177.584 0.013 0.000 1.051 1248 A CA -0.675 51.371 52.037 0.016 0.000 0.690 1248 A CB 1.250 20.268 19.000 0.029 0.000 1.281 1248 A HN 0.092 nan 8.150 nan 0.000 0.402 1249 L N 2.831 124.055 121.223 0.002 0.000 2.356 1249 L HA 0.483 4.823 4.340 0.000 0.000 0.277 1249 L C -0.875 176.002 176.870 0.012 0.000 0.996 1249 L CA -0.808 54.038 54.840 0.010 0.000 0.822 1249 L CB 1.726 43.805 42.059 0.034 0.000 1.256 1249 L HN 0.526 nan 8.230 nan 0.000 0.413 1250 I N 2.540 123.127 120.570 0.028 0.000 2.325 1250 I HA 0.130 4.300 4.170 0.000 0.000 0.291 1250 I C 0.011 176.174 176.117 0.076 0.000 1.019 1250 I CA -0.332 60.994 61.300 0.044 0.000 1.302 1250 I CB 0.802 38.838 38.000 0.061 0.000 1.401 1250 I HN 0.541 nan 8.210 nan 0.000 0.485 1251 H N 6.441 125.503 119.070 -0.013 0.000 2.690 1251 H HA 0.548 5.104 4.556 0.000 0.000 0.289 1251 H C -0.152 175.181 175.328 0.009 0.000 1.089 1251 H CA -0.601 55.467 56.048 0.034 0.000 1.299 1251 H CB 0.934 30.693 29.762 -0.005 0.000 1.405 1251 H HN 0.641 nan 8.280 nan 0.000 0.463 1252 A N 5.145 127.787 122.820 -0.297 0.000 3.015 1252 A HA 0.443 4.763 4.320 0.000 0.000 0.293 1252 A C 1.044 178.267 177.584 -0.602 0.000 1.572 1252 A CA 0.009 51.853 52.037 -0.322 0.000 1.274 1252 A CB -0.846 18.105 19.000 -0.082 0.000 1.156 1252 A HN 0.876 nan 8.150 nan 0.000 0.562 1253 G N 0.881 109.140 108.800 -0.902 0.000 2.616 1253 G HA2 0.444 4.404 3.960 0.000 0.000 0.268 1253 G HA3 0.444 4.404 3.960 0.000 0.000 0.268 1253 G C 0.510 175.044 174.900 -0.610 0.000 1.213 1253 G CA 0.334 44.999 45.100 -0.726 0.000 0.926 1253 G HN 0.770 nan 8.290 nan 0.000 0.523 1254 T N -2.146 112.151 114.554 -0.428 0.000 2.849 1254 T HA 0.547 4.897 4.350 0.000 0.000 0.284 1254 T C 1.422 175.941 174.700 -0.302 0.000 1.004 1254 T CA 0.564 62.362 62.100 -0.505 0.000 1.021 1254 T CB 0.901 69.686 68.868 -0.138 0.000 1.013 1254 T HN 2.137 nan 8.240 nan 0.000 0.527 1255 G N 1.739 110.394 108.800 -0.243 0.000 2.652 1255 G HA2 -0.356 3.604 3.960 0.000 0.000 0.318 1255 G HA3 -0.356 3.604 3.960 0.000 0.000 0.318 1255 G C 0.385 175.219 174.900 -0.111 0.000 1.295 1255 G CA 0.383 45.405 45.100 -0.129 0.000 0.999 1255 G HN 1.039 nan 8.290 nan 0.000 0.548 1256 N N 2.800 121.466 118.700 -0.056 0.000 3.254 1256 N HA 0.307 5.047 4.740 0.000 0.000 0.308 1256 N C 1.483 177.003 175.510 0.018 0.000 1.281 1256 N CA 1.365 54.403 53.050 -0.020 0.000 1.212 1256 N CB -0.981 37.500 38.487 -0.010 0.000 1.478 1256 N HN 1.815 nan 8.380 nan 0.000 0.548 1257 G N 0.915 109.704 108.800 -0.019 0.000 2.168 1257 G HA2 -0.289 3.671 3.960 0.000 0.000 0.257 1257 G HA3 -0.289 3.671 3.960 0.000 0.000 0.257 1257 G C 0.166 175.153 174.900 0.145 0.000 0.997 1257 G CA 0.402 45.522 45.100 0.033 0.000 0.708 1257 G HN 0.472 nan 8.290 nan 0.000 0.520 1258 S N -1.075 114.673 115.700 0.079 0.000 2.558 1258 S HA 0.356 4.826 4.470 0.000 0.000 0.291 1258 S C 0.550 175.284 174.600 0.224 0.000 1.306 1258 S CA 0.276 58.542 58.200 0.110 0.000 1.056 1258 S CB 1.903 65.126 63.200 0.038 0.000 0.836 1258 S HN 0.828 nan 8.310 nan 0.000 0.504 1259 V N 2.442 122.427 119.914 0.119 0.000 2.540 1259 V HA 0.422 4.542 4.120 0.000 0.000 0.302 1259 V C 0.372 176.457 176.094 -0.015 0.000 1.035 1259 V CA -0.878 61.421 62.300 -0.003 0.000 0.873 1259 V CB 1.911 33.619 31.823 -0.191 0.000 0.992 1259 V HN 0.917 nan 8.190 nan 0.000 0.428 1260 S N 2.765 118.442 115.700 -0.039 0.000 2.562 1260 S HA 0.057 4.527 4.470 0.000 0.000 0.281 1260 S C 1.605 176.173 174.600 -0.052 0.000 1.333 1260 S CA 0.185 58.361 58.200 -0.041 0.000 1.052 1260 S CB 0.999 64.163 63.200 -0.059 0.000 0.884 1260 S HN 1.175 nan 8.310 nan 0.000 0.506 1261 S N 4.555 120.237 115.700 -0.031 0.000 2.469 1261 S HA -0.092 4.378 4.470 0.000 0.000 0.238 1261 S C 1.592 176.169 174.600 -0.039 0.000 0.998 1261 S CA 0.692 58.876 58.200 -0.026 0.000 0.957 1261 S CB -0.325 62.865 63.200 -0.017 0.000 0.764 1261 S HN 0.820 nan 8.310 nan 0.000 0.514 1262 R N 0.124 120.594 120.500 -0.050 0.000 2.236 1262 R HA 0.183 4.523 4.340 0.000 0.000 0.208 1262 R C 1.440 177.690 176.300 -0.084 0.000 1.036 1262 R CA 0.881 56.949 56.100 -0.054 0.000 1.001 1262 R CB -0.102 30.169 30.300 -0.048 0.000 0.896 1262 R HN 0.390 nan 8.270 nan 0.000 0.464 1263 V N -0.545 119.289 119.914 -0.132 0.000 3.431 1263 V HA -0.045 4.075 4.120 0.000 0.000 0.253 1263 V C 2.020 177.986 176.094 -0.213 0.000 1.184 1263 V CA 0.466 62.623 62.300 -0.238 0.000 1.104 1263 V CB 0.693 32.267 31.823 -0.415 0.000 0.799 1263 V HN 0.011 nan 8.190 nan 0.000 0.462 1264 V N 1.157 121.008 119.914 -0.104 0.000 2.282 1264 V HA -0.208 3.912 4.120 0.000 0.000 0.249 1264 V C 0.111 176.237 176.094 0.053 0.000 1.057 1264 V CA 2.832 65.150 62.300 0.030 0.000 1.032 1264 V CB -1.680 30.181 31.823 0.064 0.000 0.645 1264 V HN 0.494 nan 8.190 nan 0.000 0.447 1265 P HA -0.157 nan 4.420 nan 0.000 0.216 1265 P C 1.630 178.935 177.300 0.008 0.000 1.150 1265 P CA 2.021 65.125 63.100 0.007 0.000 0.837 1265 P CB -0.150 31.543 31.700 -0.011 0.000 0.786 1266 A N -1.175 121.624 122.820 -0.034 0.000 1.930 1266 A HA -0.124 4.196 4.320 0.000 0.000 0.217 1266 A C 1.982 179.547 177.584 -0.032 0.000 1.175 1266 A CA 1.266 53.279 52.037 -0.039 0.000 0.627 1266 A CB -1.486 17.469 19.000 -0.076 0.000 0.815 1266 A HN 0.071 nan 8.150 nan 0.000 0.443 1267 L N -0.141 121.044 121.223 -0.063 0.000 2.141 1267 L HA -0.132 4.208 4.340 0.000 0.000 0.209 1267 L C 2.593 179.603 176.870 0.234 0.000 1.094 1267 L CA 1.685 56.495 54.840 -0.049 0.000 0.763 1267 L CB -0.766 41.118 42.059 -0.291 0.000 0.908 1267 L HN 0.474 nan 8.230 nan 0.000 0.437 1268 Q N -1.306 118.661 119.800 0.278 0.000 2.123 1268 Q HA -0.231 4.109 4.340 0.000 0.000 0.199 1268 Q C 2.112 178.190 176.000 0.131 0.000 0.966 1268 Q CA 1.319 57.264 55.803 0.235 0.000 0.845 1268 Q CB -0.124 28.671 28.738 0.096 0.000 0.907 1268 Q HN 0.575 nan 8.270 nan 0.000 0.439 1269 Q N 0.966 120.815 119.800 0.080 0.000 2.079 1269 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 1269 Q C 2.035 178.069 176.000 0.057 0.000 0.974 1269 Q CA 0.936 56.770 55.803 0.052 0.000 0.840 1269 Q CB -0.008 28.749 28.738 0.032 0.000 0.898 1269 Q HN 0.364 nan 8.270 nan 0.000 0.430 1270 L N 0.297 121.556 121.223 0.059 0.000 2.083 1270 L HA -0.174 4.166 4.340 0.000 0.000 0.209 1270 L C 2.765 179.676 176.870 0.067 0.000 1.083 1270 L CA 1.244 56.115 54.840 0.051 0.000 0.752 1270 L CB -0.362 41.717 42.059 0.033 0.000 0.899 1270 L HN 0.207 nan 8.230 nan 0.000 0.433 1271 R N 0.890 121.460 120.500 0.116 0.000 2.066 1271 R HA -0.151 4.189 4.340 0.000 0.000 0.232 1271 R C 2.155 178.512 176.300 0.096 0.000 1.131 1271 R CA 1.599 57.785 56.100 0.144 0.000 0.955 1271 R CB -0.219 30.262 30.300 0.302 0.000 0.851 1271 R HN 0.144 nan 8.270 nan 0.000 0.432 1272 K N -0.180 120.268 120.400 0.081 0.000 2.152 1272 K HA -0.086 4.234 4.320 0.000 0.000 0.206 1272 K C 1.614 178.238 176.600 0.040 0.000 1.048 1272 K CA 1.871 58.187 56.287 0.049 0.000 0.933 1272 K CB -0.186 32.335 32.500 0.036 0.000 0.721 1272 K HN 0.367 nan 8.250 nan 0.000 0.447 1273 N N -0.876 117.850 118.700 0.042 0.000 2.550 1273 N HA -0.048 4.692 4.740 0.000 0.000 0.186 1273 N C 0.656 176.186 175.510 0.033 0.000 1.110 1273 N CA 0.403 53.473 53.050 0.034 0.000 0.912 1273 N CB 0.481 38.987 38.487 0.032 0.000 0.968 1273 N HN 0.361 nan 8.380 nan 0.000 0.448 1274 G N -0.237 108.587 108.800 0.040 0.000 2.179 1274 G HA2 -0.215 3.745 3.960 0.000 0.000 0.220 1274 G HA3 -0.215 3.745 3.960 0.000 0.000 0.220 1274 G C 0.079 175.002 174.900 0.037 0.000 0.990 1274 G CA -0.250 44.872 45.100 0.037 0.000 0.646 1274 G HN 0.244 nan 8.290 nan 0.000 0.517 1275 T N 3.154 117.732 114.554 0.039 0.000 2.749 1275 T HA 0.480 4.830 4.350 0.000 0.000 0.295 1275 T C 0.355 175.072 174.700 0.027 0.000 0.936 1275 T CA -0.220 61.898 62.100 0.029 0.000 1.060 1275 T CB 1.400 70.283 68.868 0.025 0.000 0.904 1275 T HN 0.254 nan 8.240 nan 0.000 0.500 1276 Q N 2.501 122.313 119.800 0.020 0.000 2.364 1276 Q HA 0.216 4.556 4.340 0.000 0.000 0.267 1276 Q C -0.205 175.767 176.000 -0.048 0.000 0.999 1276 Q CA 0.069 55.878 55.803 0.011 0.000 0.886 1276 Q CB 0.820 29.568 28.738 0.016 0.000 1.243 1276 Q HN 0.486 nan 8.270 nan 0.000 0.415 1277 I N 4.305 124.811 120.570 -0.107 0.000 2.382 1277 I HA 0.372 4.542 4.170 0.000 0.000 0.285 1277 I C -0.028 175.932 176.117 -0.261 0.000 1.007 1277 I CA -0.537 60.582 61.300 -0.302 0.000 1.142 1277 I CB 0.865 38.375 38.000 -0.816 0.000 1.289 1277 I HN 0.455 nan 8.210 nan 0.000 0.453 1278 I N 6.348 126.800 120.570 -0.197 0.000 2.355 1278 I HA 0.364 4.534 4.170 0.000 0.000 0.288 1278 I C 0.387 176.436 176.117 -0.113 0.000 0.999 1278 I CA -0.686 60.491 61.300 -0.205 0.000 1.163 1278 I CB 1.067 38.916 38.000 -0.251 0.000 1.316 1278 I HN 0.321 nan 8.210 nan 0.000 0.454 1279 R N 4.474 124.928 120.500 -0.078 0.000 2.210 1279 R HA 0.389 4.729 4.340 0.000 0.000 0.338 1279 R C -0.107 176.213 176.300 0.033 0.000 1.062 1279 R CA -0.107 56.027 56.100 0.056 0.000 0.902 1279 R CB 1.413 31.787 30.300 0.124 0.000 1.050 1279 R HN 0.620 nan 8.270 nan 0.000 0.461 1280 S N 1.519 117.224 115.700 0.008 0.000 2.788 1280 S HA 0.677 5.147 4.470 0.000 0.000 0.291 1280 S C -0.565 173.990 174.600 -0.075 0.000 1.061 1280 S CA -0.359 57.850 58.200 0.015 0.000 0.923 1280 S CB 1.360 64.587 63.200 0.044 0.000 1.339 1280 S HN 0.644 nan 8.310 nan 0.000 0.591 1281 S N -0.543 115.115 115.700 -0.071 0.000 2.611 1281 S HA 0.405 4.875 4.470 0.000 0.000 0.268 1281 S C -1.194 173.351 174.600 -0.093 0.000 1.156 1281 S CA -0.442 57.650 58.200 -0.179 0.000 0.817 1281 S CB 0.586 63.688 63.200 -0.164 0.000 1.122 1281 S HN 1.050 nan 8.310 nan 0.000 0.466 1282 H N -0.669 118.326 119.070 -0.125 0.000 2.524 1282 H HA 0.687 5.243 4.556 0.000 0.000 0.297 1282 H C -0.591 174.726 175.328 -0.019 0.000 1.115 1282 H CA -0.696 55.322 56.048 -0.050 0.000 1.027 1282 H CB -0.281 29.433 29.762 -0.079 0.000 1.591 1282 H HN 0.353 nan 8.280 nan 0.000 0.543 1283 V N 1.700 121.619 119.914 0.008 0.000 2.266 1283 V HA 0.174 4.294 4.120 0.000 0.000 0.266 1283 V C -0.126 175.973 176.094 0.008 0.000 1.036 1283 V CA -0.521 61.785 62.300 0.010 0.000 0.828 1283 V CB 0.321 32.111 31.823 -0.054 0.000 1.081 1283 V HN 0.634 nan 8.190 nan 0.000 0.449 1284 N N 2.025 120.738 118.700 0.023 0.000 2.238 1284 N HA 0.074 4.814 4.740 0.000 0.000 0.222 1284 N C 1.426 176.908 175.510 -0.047 0.000 1.133 1284 N CA -0.166 52.885 53.050 0.001 0.000 0.854 1284 N CB 0.640 39.141 38.487 0.024 0.000 1.041 1284 N HN 0.660 nan 8.380 nan 0.000 0.510 1285 Q N 0.579 120.342 119.800 -0.062 0.000 2.302 1285 Q HA 0.205 4.545 4.340 0.000 0.000 0.202 1285 Q C 0.373 176.268 176.000 -0.174 0.000 0.936 1285 Q CA 0.352 56.093 55.803 -0.103 0.000 0.886 1285 Q CB 0.478 29.169 28.738 -0.078 0.000 0.986 1285 Q HN 0.324 nan 8.270 nan 0.000 0.487 1286 G N -1.919 106.786 108.800 -0.158 0.000 2.495 1286 G HA2 0.460 4.420 3.960 0.000 0.000 0.294 1286 G HA3 0.460 4.420 3.960 0.000 0.000 0.294 1286 G C -0.465 174.371 174.900 -0.106 0.000 1.397 1286 G CA -0.260 44.701 45.100 -0.233 0.000 0.790 1286 G HN 0.467 nan 8.290 nan 0.000 0.486 1287 G N -1.367 107.404 108.800 -0.048 0.000 2.645 1287 G HA2 0.486 4.446 3.960 0.000 0.000 0.239 1287 G HA3 0.486 4.446 3.960 0.000 0.000 0.239 1287 G C -0.239 174.823 174.900 0.271 0.000 1.331 1287 G CA 0.706 45.856 45.100 0.083 0.000 0.890 1287 G HN 2.399 nan 8.290 nan 0.000 0.572 1288 F N -3.868 116.149 119.950 0.111 0.000 2.741 1288 F HA 0.662 5.189 4.527 0.000 0.000 0.311 1288 F C -0.405 175.481 175.800 0.143 0.000 1.149 1288 F CA -1.389 56.682 58.000 0.119 0.000 0.930 1288 F CB 0.890 39.929 39.000 0.065 0.000 1.312 1288 F HN 0.684 nan 8.300 nan 0.000 0.450 1289 V N 3.095 123.270 119.914 0.436 0.000 2.432 1289 V HA 0.340 4.460 4.120 0.000 0.000 0.271 1289 V C -0.253 176.144 176.094 0.505 0.000 1.046 1289 V CA -0.363 62.124 62.300 0.313 0.000 0.945 1289 V CB 0.894 32.862 31.823 0.242 0.000 0.992 1289 V HN 0.725 nan 8.190 nan 0.000 0.471 1290 L N 6.217 127.638 121.223 0.329 0.000 2.292 1290 L HA 0.466 4.806 4.340 0.000 0.000 0.284 1290 L C 0.457 177.520 176.870 0.321 0.000 1.065 1290 L CA -0.034 55.043 54.840 0.395 0.000 0.806 1290 L CB 0.919 43.108 42.059 0.215 0.000 1.175 1290 L HN 0.664 nan 8.230 nan 0.000 0.431 1291 R N 4.241 124.977 120.500 0.393 0.000 2.570 1291 R HA 0.052 4.392 4.340 0.000 0.000 0.277 1291 R C 0.258 176.688 176.300 0.218 0.000 1.039 1291 R CA 0.359 56.648 56.100 0.316 0.000 1.065 1291 R CB 0.105 30.672 30.300 0.444 0.000 0.964 1291 R HN 0.885 nan 8.270 nan 0.000 0.428 1292 N N 0.955 119.751 118.700 0.160 0.000 2.778 1292 N HA -0.271 4.469 4.740 0.000 0.000 0.249 1292 N C 0.113 175.676 175.510 0.089 0.000 1.069 1292 N CA 1.238 54.351 53.050 0.105 0.000 0.831 1292 N CB -1.128 37.414 38.487 0.092 0.000 1.142 1292 N HN 0.688 nan 8.380 nan 0.000 0.573 1293 A N 0.570 123.452 122.820 0.105 0.000 1.843 1293 A HA 0.016 4.336 4.320 0.000 0.000 0.213 1293 A C 1.926 179.547 177.584 0.061 0.000 1.239 1293 A CA 1.027 53.110 52.037 0.076 0.000 0.606 1293 A CB -0.064 18.982 19.000 0.077 0.000 0.903 1293 A HN 0.181 nan 8.150 nan 0.000 0.455 1294 E N -0.507 119.737 120.200 0.074 0.000 2.230 1294 E HA 0.060 4.410 4.350 0.000 0.000 0.192 1294 E C 0.033 176.678 176.600 0.075 0.000 0.987 1294 E CA 0.565 57.004 56.400 0.066 0.000 0.841 1294 E CB 0.210 29.954 29.700 0.073 0.000 0.783 1294 E HN 0.468 nan 8.360 nan 0.000 0.481 1295 Q N -0.188 119.670 119.800 0.097 0.000 2.421 1295 Q HA 0.299 4.639 4.340 0.000 0.000 0.280 1295 Q C -2.536 173.478 176.000 0.023 0.000 1.085 1295 Q CA -2.029 53.825 55.803 0.084 0.000 0.807 1295 Q CB 2.483 31.359 28.738 0.229 0.000 1.405 1295 Q HN -0.079 nan 8.270 nan 0.000 0.419 1296 P HA 0.077 nan 4.420 nan 0.000 0.244 1296 P C -0.232 176.953 177.300 -0.192 0.000 1.769 1296 P CA 0.013 63.043 63.100 -0.117 0.000 1.102 1296 P CB 0.263 31.872 31.700 -0.151 0.000 1.937 1297 D N 1.229 121.590 120.400 -0.066 0.000 2.133 1297 D HA -0.177 4.463 4.640 0.000 0.000 0.195 1297 D C 1.159 177.403 176.300 -0.093 0.000 0.997 1297 D CA 1.362 55.340 54.000 -0.037 0.000 0.840 1297 D CB -0.011 40.850 40.800 0.101 0.000 0.947 1297 D HN 0.338 nan 8.370 nan 0.000 0.452 1298 D N 0.753 121.119 120.400 -0.057 0.000 2.097 1298 D HA -0.141 4.499 4.640 0.000 0.000 0.195 1298 D C 1.983 178.220 176.300 -0.105 0.000 0.989 1298 D CA 0.792 54.762 54.000 -0.050 0.000 0.827 1298 D CB -0.146 40.645 40.800 -0.016 0.000 0.966 1298 D HN 0.246 nan 8.370 nan 0.000 0.456 1299 K N 0.487 120.800 120.400 -0.146 0.000 2.057 1299 K HA -0.101 4.219 4.320 0.000 0.000 0.207 1299 K C 1.333 177.778 176.600 -0.259 0.000 1.049 1299 K CA 1.009 57.192 56.287 -0.173 0.000 0.931 1299 K CB 0.174 32.570 32.500 -0.173 0.000 0.714 1299 K HN -0.018 nan 8.250 nan 0.000 0.440 1300 N N 1.123 119.554 118.700 -0.449 0.000 2.412 1300 N HA -0.082 4.658 4.740 0.000 0.000 0.184 1300 N C -0.469 174.766 175.510 -0.458 0.000 1.101 1300 N CA 0.655 53.298 53.050 -0.677 0.000 0.881 1300 N CB 0.110 37.623 38.487 -1.623 0.000 0.969 1300 N HN 0.218 nan 8.380 nan 0.000 0.459 1301 D N -0.526 119.732 120.400 -0.236 0.000 2.746 1301 D HA -0.159 4.481 4.640 0.000 0.000 0.236 1301 D C -0.850 175.534 176.300 0.140 0.000 1.129 1301 D CA 0.428 54.405 54.000 -0.039 0.000 0.691 1301 D CB -0.960 39.840 40.800 -0.001 0.000 1.077 1301 D HN 0.170 nan 8.370 nan 0.000 0.432 1302 W N -0.716 120.555 121.300 -0.049 0.000 2.367 1302 W HA 0.695 5.355 4.660 0.000 0.000 0.369 1302 W C 0.515 176.976 176.519 -0.097 0.000 1.276 1302 W CA -0.752 56.554 57.345 -0.065 0.000 1.415 1302 W CB 0.411 29.835 29.460 -0.060 0.000 1.306 1302 W HN -0.201 nan 8.180 nan 0.000 0.669 1303 V N 1.249 121.221 119.914 0.096 0.000 2.823 1303 V HA 0.478 4.598 4.120 0.000 0.000 0.312 1303 V C -0.572 175.423 176.094 -0.165 0.000 1.072 1303 V CA -1.176 61.057 62.300 -0.112 0.000 0.937 1303 V CB 1.886 33.567 31.823 -0.237 0.000 1.013 1303 V HN 0.191 nan 8.190 nan 0.000 0.430 1304 V N 2.780 122.571 119.914 -0.205 0.000 2.483 1304 V HA 0.525 4.645 4.120 0.000 0.000 0.295 1304 V C 0.977 176.944 176.094 -0.213 0.000 1.035 1304 V CA 0.289 62.533 62.300 -0.093 0.000 0.896 1304 V CB 1.770 33.657 31.823 0.106 0.000 0.986 1304 V HN 1.060 nan 8.190 nan 0.000 0.447 1305 A N 3.787 126.550 122.820 -0.095 0.000 2.238 1305 A HA 0.131 4.452 4.320 0.000 0.000 0.208 1305 A C 1.133 179.002 177.584 0.476 0.000 1.177 1305 A CA 1.131 53.206 52.037 0.063 0.000 0.804 1305 A CB -0.885 18.183 19.000 0.114 0.000 0.823 1305 A HN 1.224 nan 8.150 nan 0.000 0.482 1306 H N -0.304 118.967 119.070 0.335 0.000 1.452 1306 H HA -0.283 4.273 4.556 0.000 0.000 0.090 1306 H C 0.691 176.279 175.328 0.434 0.000 0.629 1306 H CA 1.601 57.902 56.048 0.422 0.000 1.901 1306 H CB -1.049 28.961 29.762 0.413 0.000 2.257 1306 H HN 0.601 nan 8.280 nan 0.000 0.961 1307 D N 2.251 122.785 120.400 0.225 0.000 2.360 1307 D HA 0.108 4.748 4.640 0.000 0.000 0.210 1307 D C 0.611 177.056 176.300 0.243 0.000 1.047 1307 D CA 0.093 54.239 54.000 0.243 0.000 0.854 1307 D CB -0.051 40.912 40.800 0.271 0.000 0.936 1307 D HN 0.289 nan 8.370 nan 0.000 0.514 1308 L N 2.548 123.938 121.223 0.278 0.000 2.462 1308 L HA 0.083 4.423 4.340 0.000 0.000 0.272 1308 L C 0.788 177.774 176.870 0.193 0.000 1.166 1308 L CA -0.675 54.300 54.840 0.225 0.000 0.880 1308 L CB 0.060 42.302 42.059 0.305 0.000 1.142 1308 L HN 0.016 nan 8.230 nan 0.000 0.473 1309 N N 4.342 123.121 118.700 0.132 0.000 2.288 1309 N HA 0.099 4.839 4.740 0.000 0.000 0.237 1309 N C -2.113 173.479 175.510 0.136 0.000 1.311 1309 N CA -1.201 51.916 53.050 0.113 0.000 0.909 1309 N CB -0.157 38.378 38.487 0.080 0.000 1.167 1309 N HN 0.178 nan 8.380 nan 0.000 0.476 1310 P HA -0.236 nan 4.420 nan 0.000 0.214 1310 P C 1.110 178.490 177.300 0.133 0.000 1.163 1310 P CA 1.854 65.026 63.100 0.120 0.000 0.889 1310 P CB -0.055 31.714 31.700 0.116 0.000 0.790 1311 E N -0.203 120.070 120.200 0.120 0.000 2.204 1311 E HA -0.167 4.183 4.350 0.000 0.000 0.194 1311 E C 1.532 178.231 176.600 0.166 0.000 0.989 1311 E CA 1.165 57.637 56.400 0.120 0.000 0.824 1311 E CB -0.731 29.026 29.700 0.095 0.000 0.756 1311 E HN 0.223 nan 8.360 nan 0.000 0.477 1312 K N 1.021 121.533 120.400 0.187 0.000 2.031 1312 K HA 0.101 4.421 4.320 0.000 0.000 0.205 1312 K C 2.253 179.071 176.600 0.362 0.000 1.049 1312 K CA 1.158 57.606 56.287 0.268 0.000 0.939 1312 K CB -0.403 32.172 32.500 0.125 0.000 0.717 1312 K HN 0.214 nan 8.250 nan 0.000 0.438 1313 A N 1.775 124.794 122.820 0.332 0.000 1.972 1313 A HA -0.187 4.133 4.320 0.000 0.000 0.219 1313 A C 2.238 180.040 177.584 0.364 0.000 1.169 1313 A CA 1.574 53.889 52.037 0.463 0.000 0.635 1313 A CB -0.441 18.817 19.000 0.429 0.000 0.810 1313 A HN 0.290 nan 8.150 nan 0.000 0.446 1314 R N -0.350 120.290 120.500 0.232 0.000 2.081 1314 R HA -0.106 4.234 4.340 0.000 0.000 0.235 1314 R C 1.789 178.156 176.300 0.113 0.000 1.131 1314 R CA 1.652 57.844 56.100 0.154 0.000 0.960 1314 R CB -0.297 30.066 30.300 0.105 0.000 0.856 1314 R HN 0.408 nan 8.270 nan 0.000 0.436 1315 I N 1.242 121.886 120.570 0.123 0.000 2.179 1315 I HA -0.261 3.909 4.170 0.000 0.000 0.242 1315 I C 2.369 178.437 176.117 -0.083 0.000 1.088 1315 I CA 0.979 62.313 61.300 0.056 0.000 1.357 1315 I CB -1.168 36.907 38.000 0.124 0.000 1.051 1315 I HN 0.302 nan 8.210 nan 0.000 0.409 1316 L N 1.335 122.482 121.223 -0.127 0.000 2.046 1316 L HA -0.087 4.253 4.340 0.000 0.000 0.208 1316 L C 2.581 179.282 176.870 -0.282 0.000 1.077 1316 L CA 2.069 56.679 54.840 -0.382 0.000 0.747 1316 L CB -0.906 40.830 42.059 -0.538 0.000 0.896 1316 L HN 0.189 nan 8.230 nan 0.000 0.432 1317 A N -0.636 122.194 122.820 0.017 0.000 1.883 1317 A HA -0.264 4.056 4.320 0.000 0.000 0.217 1317 A C 2.289 179.870 177.584 -0.005 0.000 1.186 1317 A CA 2.271 54.392 52.037 0.140 0.000 0.624 1317 A CB -0.563 18.581 19.000 0.241 0.000 0.822 1317 A HN 0.515 nan 8.150 nan 0.000 0.444 1318 M N -0.830 118.754 119.600 -0.026 0.000 2.115 1318 M HA -0.185 4.295 4.480 0.000 0.000 0.258 1318 M C 2.202 178.432 176.300 -0.117 0.000 1.071 1318 M CA 1.981 57.254 55.300 -0.045 0.000 1.100 1318 M CB -0.700 31.885 32.600 -0.026 0.000 1.292 1318 M HN 0.273 nan 8.290 nan 0.000 0.415 1319 V N 0.573 120.357 119.914 -0.218 0.000 2.252 1319 V HA -0.320 3.800 4.120 0.000 0.000 0.249 1319 V C 2.615 178.342 176.094 -0.611 0.000 1.056 1319 V CA 2.212 64.253 62.300 -0.433 0.000 1.022 1319 V CB -1.378 30.032 31.823 -0.689 0.000 0.641 1319 V HN 0.595 nan 8.190 nan 0.000 0.445 1320 A N -0.878 121.573 122.820 -0.616 0.000 1.940 1320 A HA -0.215 4.105 4.320 0.000 0.000 0.219 1320 A C 2.142 179.691 177.584 -0.058 0.000 1.176 1320 A CA 2.144 53.972 52.037 -0.349 0.000 0.631 1320 A CB -0.533 18.363 19.000 -0.173 0.000 0.814 1320 A HN 0.543 nan 8.150 nan 0.000 0.446 1321 M N 0.347 119.913 119.600 -0.057 0.000 2.659 1321 M HA -0.053 4.427 4.480 0.000 0.000 0.243 1321 M C 1.734 178.040 176.300 0.010 0.000 1.111 1321 M CA 1.298 56.600 55.300 0.004 0.000 1.070 1321 M CB -0.282 32.324 32.600 0.011 0.000 1.525 1321 M HN 0.660 nan 8.290 nan 0.000 0.517 1322 T N -2.828 111.724 114.554 -0.004 0.000 3.081 1322 T HA 0.026 4.376 4.350 0.000 0.000 0.255 1322 T C 1.630 176.367 174.700 0.061 0.000 1.113 1322 T CA 0.504 62.617 62.100 0.022 0.000 1.082 1322 T CB 0.181 69.056 68.868 0.012 0.000 0.939 1322 T HN 0.363 nan 8.240 nan 0.000 0.506 1323 K N -0.240 120.217 120.400 0.095 0.000 2.424 1323 K HA 0.233 4.553 4.320 0.000 0.000 0.198 1323 K C 0.218 176.869 176.600 0.084 0.000 1.190 1323 K CA 0.233 56.588 56.287 0.113 0.000 0.935 1323 K CB 1.212 33.832 32.500 0.200 0.000 1.087 1323 K HN 0.254 nan 8.250 nan 0.000 0.524 1324 T N -0.802 113.803 114.554 0.085 0.000 2.894 1324 T HA 0.274 4.624 4.350 0.000 0.000 0.309 1324 T C -1.155 173.579 174.700 0.057 0.000 1.208 1324 T CA -0.525 61.614 62.100 0.066 0.000 1.016 1324 T CB 1.951 70.862 68.868 0.072 0.000 1.192 1324 T HN 0.089 nan 8.240 nan 0.000 0.491 1325 Q N 1.085 120.913 119.800 0.047 0.000 2.118 1325 Q HA 0.190 4.530 4.340 0.000 0.000 0.219 1325 Q C -0.857 175.168 176.000 0.041 0.000 0.794 1325 Q CA -0.388 55.441 55.803 0.043 0.000 1.035 1325 Q CB 0.813 29.573 28.738 0.036 0.000 1.177 1325 Q HN 0.547 nan 8.270 nan 0.000 0.478 1326 D N 0.058 120.483 120.400 0.042 0.000 2.316 1326 D HA 0.114 4.754 4.640 0.000 0.000 0.245 1326 D C 0.573 176.895 176.300 0.038 0.000 1.171 1326 D CA 0.153 54.175 54.000 0.037 0.000 0.856 1326 D CB 1.494 42.314 40.800 0.034 0.000 1.090 1326 D HN -0.076 nan 8.370 nan 0.000 0.476 1327 S N 3.795 119.515 115.700 0.032 0.000 2.374 1327 S HA -0.171 4.299 4.470 0.000 0.000 0.227 1327 S C 1.739 176.339 174.600 -0.000 0.000 1.037 1327 S CA 0.913 59.127 58.200 0.023 0.000 1.024 1327 S CB 0.093 63.312 63.200 0.032 0.000 0.861 1327 S HN 0.545 nan 8.310 nan 0.000 0.456 1328 K N 1.094 121.497 120.400 0.004 0.000 2.097 1328 K HA -0.004 4.316 4.320 0.000 0.000 0.206 1328 K C 1.950 178.552 176.600 0.003 0.000 1.049 1328 K CA 0.829 57.113 56.287 -0.006 0.000 0.933 1328 K CB -0.312 32.198 32.500 0.017 0.000 0.717 1328 K HN 0.361 nan 8.250 nan 0.000 0.442 1329 E N 0.694 120.912 120.200 0.030 0.000 2.152 1329 E HA -0.092 4.258 4.350 0.000 0.000 0.192 1329 E C 2.046 178.689 176.600 0.071 0.000 0.983 1329 E CA 0.439 56.871 56.400 0.053 0.000 0.818 1329 E CB -0.058 29.675 29.700 0.056 0.000 0.758 1329 E HN 0.062 nan 8.360 nan 0.000 0.467 1330 L N 1.117 122.381 121.223 0.068 0.000 2.083 1330 L HA -0.192 4.148 4.340 0.000 0.000 0.209 1330 L C 2.468 179.415 176.870 0.129 0.000 1.083 1330 L CA 1.553 56.470 54.840 0.128 0.000 0.752 1330 L CB -0.626 41.497 42.059 0.106 0.000 0.899 1330 L HN 0.070 nan 8.230 nan 0.000 0.433 1331 Q N -0.644 119.117 119.800 -0.065 0.000 2.119 1331 Q HA -0.197 4.143 4.340 0.000 0.000 0.201 1331 Q C 2.395 178.173 176.000 -0.371 0.000 0.972 1331 Q CA 1.438 57.030 55.803 -0.352 0.000 0.847 1331 Q CB -0.299 28.115 28.738 -0.540 0.000 0.903 1331 Q HN 0.208 nan 8.270 nan 0.000 0.433 1332 R N 0.242 120.694 120.500 -0.080 0.000 2.096 1332 R HA -0.078 4.262 4.340 0.000 0.000 0.235 1332 R C 2.066 178.494 176.300 0.214 0.000 1.127 1332 R CA 1.432 57.613 56.100 0.135 0.000 0.968 1332 R CB -0.509 29.880 30.300 0.147 0.000 0.861 1332 R HN 0.472 nan 8.270 nan 0.000 0.440 1333 I N -0.015 120.675 120.570 0.200 0.000 2.252 1333 I HA -0.249 3.921 4.170 0.000 0.000 0.245 1333 I C 1.851 178.125 176.117 0.261 0.000 1.102 1333 I CA 1.183 62.648 61.300 0.275 0.000 1.385 1333 I CB -0.293 37.800 38.000 0.156 0.000 1.064 1333 I HN 0.034 nan 8.210 nan 0.000 0.414 1334 F N -0.596 119.403 119.950 0.082 0.000 2.546 1334 F HA -0.165 4.362 4.527 0.000 0.000 0.298 1334 F C 1.662 177.567 175.800 0.176 0.000 1.120 1334 F CA 0.864 58.922 58.000 0.097 0.000 1.456 1334 F CB -0.044 38.925 39.000 -0.052 0.000 1.088 1334 F HN 0.187 nan 8.300 nan 0.000 0.572 1335 W N -0.309 121.088 121.300 0.162 0.000 3.211 1335 W HA 0.159 4.819 4.660 0.000 0.000 0.292 1335 W C 1.517 178.020 176.519 -0.027 0.000 1.268 1335 W CA 0.094 57.391 57.345 -0.080 0.000 1.702 1335 W CB -0.472 28.907 29.460 -0.135 0.000 1.092 1335 W HN 0.130 nan 8.180 nan 0.000 0.643 1336 E N -2.041 118.328 120.200 0.282 0.000 2.434 1336 E HA 0.035 4.385 4.350 0.000 0.000 0.207 1336 E C -0.143 176.422 176.600 -0.058 0.000 0.929 1336 E CA 0.320 56.765 56.400 0.075 0.000 1.001 1336 E CB 0.522 30.224 29.700 0.004 0.000 1.016 1336 E HN -0.029 nan 8.360 nan 0.000 0.502 1337 Y N 0.000 120.385 120.300 0.142 0.000 2.660 1337 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 1337 Y CA 0.000 58.205 58.100 0.175 0.000 1.940 1337 Y CB 0.000 38.544 38.460 0.140 0.000 1.050 1337 Y HN 0.000 nan 8.280 nan 0.000 0.758