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 1rxs_1_N DATA FIRST_RESID 1004 DATA SEQUENCE SDVFHLGLTK NDLQGATLAI VPGDPDRVEK IAALMDKPVK LASHREFTTW DATA SEQUENCE RAELDGKPVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APLEFPAVAD FECTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRHFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPXXXX MKQTESHAVK IVVEAARRLL 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 1004 S HA 0.000 nan 4.470 nan 0.000 0.327 1004 S C 0.000 174.594 174.600 -0.009 0.000 1.055 1004 S CA 0.000 58.187 58.200 -0.023 0.000 1.107 1004 S CB 0.000 63.163 63.200 -0.061 0.000 0.593 1005 D N 1.530 121.929 120.400 -0.002 0.000 2.333 1005 D HA 0.143 4.783 4.640 -0.000 0.000 0.208 1005 D C 0.988 177.301 176.300 0.023 0.000 0.984 1005 D CA 1.352 55.359 54.000 0.011 0.000 0.873 1005 D CB 0.465 41.272 40.800 0.012 0.000 0.935 1005 D HN 0.581 nan 8.370 nan 0.000 0.521 1006 V N -2.145 117.779 119.914 0.016 0.000 2.864 1006 V HA 0.380 4.500 4.120 -0.000 0.000 0.314 1006 V C 0.781 176.891 176.094 0.026 0.000 1.073 1006 V CA -1.014 61.309 62.300 0.038 0.000 0.956 1006 V CB 1.805 33.645 31.823 0.028 0.000 1.023 1006 V HN -0.150 nan 8.190 nan 0.000 0.435 1007 F N 1.513 121.396 119.950 -0.111 0.000 2.206 1007 F HA 0.076 4.603 4.527 -0.000 0.000 0.298 1007 F C 1.844 177.420 175.800 -0.375 0.000 1.090 1007 F CA 2.322 60.171 58.000 -0.251 0.000 1.323 1007 F CB -0.093 38.721 39.000 -0.311 0.000 1.028 1007 F HN 0.836 nan 8.300 nan 0.000 0.492 1008 H N -1.202 117.749 119.070 -0.198 0.000 2.460 1008 H HA 0.222 4.778 4.556 -0.000 0.000 0.297 1008 H C 2.098 177.307 175.328 -0.197 0.000 1.023 1008 H CA 1.021 56.911 56.048 -0.265 0.000 1.321 1008 H CB -0.216 29.428 29.762 -0.197 0.000 1.455 1008 H HN 0.106 nan 8.280 nan 0.000 0.539 1009 L N 0.062 121.237 121.223 -0.081 0.000 2.376 1009 L HA 0.074 4.414 4.340 -0.000 0.000 0.219 1009 L C 0.947 177.877 176.870 0.100 0.000 1.133 1009 L CA 0.661 55.503 54.840 0.004 0.000 0.816 1009 L CB -0.523 41.511 42.059 -0.042 0.000 0.933 1009 L HN 0.530 nan 8.230 nan 0.000 0.449 1010 G N 1.510 110.262 108.800 -0.080 0.000 2.350 1010 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.298 1010 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.298 1010 G C -0.274 174.650 174.900 0.041 0.000 1.037 1010 G CA 0.172 45.209 45.100 -0.105 0.000 1.074 1010 G HN 0.268 nan 8.290 nan 0.000 0.511 1011 L N -0.500 120.731 121.223 0.014 0.000 2.327 1011 L HA 0.884 5.224 4.340 -0.000 0.000 0.258 1011 L C 0.620 177.494 176.870 0.007 0.000 1.024 1011 L CA -0.654 54.199 54.840 0.022 0.000 0.825 1011 L CB 2.534 44.611 42.059 0.029 0.000 1.386 1011 L HN 0.394 nan 8.230 nan 0.000 0.417 1012 T N -3.308 111.250 114.554 0.006 0.000 2.908 1012 T HA 0.319 4.669 4.350 -0.000 0.000 0.290 1012 T C 0.535 175.238 174.700 0.005 0.000 1.034 1012 T CA -0.803 61.299 62.100 0.004 0.000 1.010 1012 T CB 2.198 71.067 68.868 0.000 0.000 1.068 1012 T HN 0.613 nan 8.240 nan 0.000 0.481 1013 K N 1.142 121.546 120.400 0.006 0.000 2.089 1013 K HA -0.211 4.109 4.320 -0.000 0.000 0.210 1013 K C 2.153 178.754 176.600 0.001 0.000 1.048 1013 K CA 1.789 58.079 56.287 0.005 0.000 0.926 1013 K CB -0.267 32.236 32.500 0.006 0.000 0.714 1013 K HN 0.632 nan 8.250 nan 0.000 0.448 1014 N N 0.731 119.431 118.700 -0.001 0.000 2.104 1014 N HA -0.182 4.558 4.740 -0.000 0.000 0.190 1014 N C 1.051 176.557 175.510 -0.006 0.000 1.024 1014 N CA 1.632 54.680 53.050 -0.004 0.000 0.853 1014 N CB -0.229 38.256 38.487 -0.005 0.000 1.008 1014 N HN 0.298 nan 8.380 nan 0.000 0.424 1015 D N 0.622 121.018 120.400 -0.006 0.000 2.228 1015 D HA -0.136 4.504 4.640 -0.000 0.000 0.203 1015 D C 1.782 178.077 176.300 -0.007 0.000 0.988 1015 D CA 0.591 54.584 54.000 -0.010 0.000 0.864 1015 D CB -0.027 40.767 40.800 -0.009 0.000 0.928 1015 D HN 0.227 nan 8.370 nan 0.000 0.469 1016 L N 0.443 121.664 121.223 -0.003 0.000 2.341 1016 L HA 0.010 4.350 4.340 -0.000 0.000 0.214 1016 L C 0.770 177.637 176.870 -0.006 0.000 1.115 1016 L CA 0.587 55.425 54.840 -0.003 0.000 0.820 1016 L CB -0.263 41.793 42.059 -0.005 0.000 0.944 1016 L HN 0.018 nan 8.230 nan 0.000 0.452 1017 Q N -0.394 119.403 119.800 -0.006 0.000 2.457 1017 Q HA -0.289 4.051 4.340 -0.000 0.000 0.283 1017 Q C 1.104 177.100 176.000 -0.008 0.000 1.234 1017 Q CA 0.499 56.298 55.803 -0.006 0.000 0.877 1017 Q CB -2.524 26.211 28.738 -0.005 0.000 1.250 1017 Q HN 0.609 nan 8.270 nan 0.000 0.481 1018 G N -1.558 107.237 108.800 -0.009 0.000 2.159 1018 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.256 1018 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.256 1018 G C 0.341 175.229 174.900 -0.019 0.000 0.977 1018 G CA 0.291 45.383 45.100 -0.012 0.000 0.652 1018 G HN 1.239 nan 8.290 nan 0.000 0.531 1019 A N 0.124 122.930 122.820 -0.022 0.000 2.531 1019 A HA 0.587 4.907 4.320 -0.000 0.000 0.236 1019 A C 1.482 179.033 177.584 -0.055 0.000 1.062 1019 A CA 1.862 53.878 52.037 -0.035 0.000 0.760 1019 A CB 0.230 19.210 19.000 -0.032 0.000 0.995 1019 A HN 1.697 nan 8.150 nan 0.000 0.501 1020 T N -0.094 114.416 114.554 -0.074 0.000 3.058 1020 T HA 0.400 4.750 4.350 -0.000 0.000 0.278 1020 T C 0.051 174.646 174.700 -0.174 0.000 0.974 1020 T CA 0.059 62.096 62.100 -0.105 0.000 0.893 1020 T CB -0.482 68.345 68.868 -0.069 0.000 1.138 1020 T HN 0.567 nan 8.240 nan 0.000 0.529 1021 L N 1.629 122.755 121.223 -0.162 0.000 2.362 1021 L HA 0.887 5.227 4.340 -0.000 0.000 0.271 1021 L C -1.428 175.321 176.870 -0.202 0.000 1.002 1021 L CA -0.980 53.738 54.840 -0.203 0.000 0.818 1021 L CB 1.883 43.871 42.059 -0.119 0.000 1.298 1021 L HN 0.224 nan 8.230 nan 0.000 0.420 1022 A N 5.530 128.185 122.820 -0.276 0.000 2.393 1022 A HA 0.685 5.005 4.320 -0.000 0.000 0.306 1022 A C -1.038 176.519 177.584 -0.045 0.000 1.050 1022 A CA -0.533 51.414 52.037 -0.149 0.000 0.724 1022 A CB 1.133 20.035 19.000 -0.164 0.000 1.248 1022 A HN 0.667 nan 8.150 nan 0.000 0.424 1023 I N 2.563 123.138 120.570 0.008 0.000 2.325 1023 I HA 0.349 4.519 4.170 -0.000 0.000 0.291 1023 I C -0.153 176.010 176.117 0.077 0.000 1.019 1023 I CA -0.544 60.780 61.300 0.039 0.000 1.302 1023 I CB 1.670 39.682 38.000 0.019 0.000 1.401 1023 I HN 0.456 nan 8.210 nan 0.000 0.485 1024 V N 5.873 125.849 119.914 0.103 0.000 2.276 1024 V HA 0.495 4.615 4.120 -0.000 0.000 0.268 1024 V C -2.493 173.651 176.094 0.083 0.000 1.032 1024 V CA -1.906 60.467 62.300 0.122 0.000 0.810 1024 V CB 0.296 32.229 31.823 0.183 0.000 1.060 1024 V HN 0.458 nan 8.190 nan 0.000 0.446 1025 P HA 0.314 nan 4.420 nan 0.000 0.276 1025 P C 0.960 178.286 177.300 0.043 0.000 1.261 1025 P CA 0.240 63.363 63.100 0.039 0.000 0.800 1025 P CB 1.751 33.462 31.700 0.019 0.000 1.066 1026 G N -0.467 108.347 108.800 0.023 0.000 2.426 1026 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.214 1026 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.214 1026 G C 0.217 175.115 174.900 -0.003 0.000 1.156 1026 G CA 0.438 45.546 45.100 0.014 0.000 0.802 1026 G HN 0.516 nan 8.290 nan 0.000 0.534 1027 D N 0.348 120.742 120.400 -0.010 0.000 2.317 1027 D HA 0.284 4.924 4.640 -0.000 0.000 0.234 1027 D C -1.192 175.099 176.300 -0.015 0.000 1.112 1027 D CA -2.569 51.416 54.000 -0.024 0.000 0.840 1027 D CB 2.098 42.879 40.800 -0.031 0.000 1.078 1027 D HN -0.053 nan 8.370 nan 0.000 0.486 1028 P HA -0.150 nan 4.420 nan 0.000 0.217 1028 P C 0.554 177.857 177.300 0.005 0.000 1.151 1028 P CA 0.999 64.105 63.100 0.010 0.000 0.849 1028 P CB 0.407 32.103 31.700 -0.005 0.000 0.787 1029 D N -1.145 119.245 120.400 -0.017 0.000 2.312 1029 D HA -0.087 4.553 4.640 -0.000 0.000 0.211 1029 D C 1.960 178.226 176.300 -0.058 0.000 0.964 1029 D CA 0.571 54.554 54.000 -0.029 0.000 0.877 1029 D CB -0.190 40.592 40.800 -0.030 0.000 0.924 1029 D HN 0.195 nan 8.370 nan 0.000 0.515 1030 R N 0.640 121.106 120.500 -0.055 0.000 2.280 1030 R HA 0.035 4.375 4.340 -0.000 0.000 0.195 1030 R C 1.912 178.146 176.300 -0.110 0.000 0.935 1030 R CA 0.041 56.097 56.100 -0.073 0.000 1.033 1030 R CB 0.308 30.581 30.300 -0.046 0.000 0.964 1030 R HN 0.004 nan 8.270 nan 0.000 0.489 1031 V N 1.000 120.850 119.914 -0.107 0.000 2.261 1031 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 1031 V C 2.327 178.182 176.094 -0.397 0.000 1.047 1031 V CA 2.126 64.341 62.300 -0.140 0.000 1.015 1031 V CB -0.431 31.390 31.823 -0.004 0.000 0.642 1031 V HN 0.419 nan 8.190 nan 0.000 0.446 1032 E N 0.268 120.098 120.200 -0.617 0.000 2.077 1032 E HA -0.287 4.063 4.350 -0.000 0.000 0.193 1032 E C 2.222 178.437 176.600 -0.641 0.000 0.989 1032 E CA 1.520 57.257 56.400 -1.107 0.000 0.800 1032 E CB -0.062 29.096 29.700 -0.903 0.000 0.746 1032 E HN 0.571 nan 8.360 nan 0.000 0.452 1033 K N 0.246 120.431 120.400 -0.359 0.000 2.063 1033 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 1033 K C 2.146 178.629 176.600 -0.194 0.000 1.048 1033 K CA 1.787 57.938 56.287 -0.225 0.000 0.928 1033 K CB -0.152 32.263 32.500 -0.142 0.000 0.713 1033 K HN 0.217 nan 8.250 nan 0.000 0.442 1034 I N 0.556 121.015 120.570 -0.184 0.000 2.202 1034 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 1034 I C 2.430 178.469 176.117 -0.130 0.000 1.091 1034 I CA 1.130 62.356 61.300 -0.124 0.000 1.368 1034 I CB -0.380 37.569 38.000 -0.085 0.000 1.058 1034 I HN 0.158 nan 8.210 nan 0.000 0.410 1035 A N 0.805 123.507 122.820 -0.196 0.000 1.948 1035 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 1035 A C 2.466 179.984 177.584 -0.110 0.000 1.177 1035 A CA 1.960 53.918 52.037 -0.131 0.000 0.636 1035 A CB -0.902 18.000 19.000 -0.165 0.000 0.815 1035 A HN 0.455 nan 8.150 nan 0.000 0.449 1036 A N -1.222 121.482 122.820 -0.194 0.000 2.125 1036 A HA 0.101 4.421 4.320 -0.000 0.000 0.219 1036 A C 1.647 179.192 177.584 -0.066 0.000 1.156 1036 A CA 1.224 53.185 52.037 -0.125 0.000 0.671 1036 A CB -0.322 18.579 19.000 -0.164 0.000 0.794 1036 A HN 0.368 nan 8.150 nan 0.000 0.459 1037 L N -1.117 120.067 121.223 -0.065 0.000 2.599 1037 L HA 0.242 4.582 4.340 -0.000 0.000 0.230 1037 L C 1.000 177.856 176.870 -0.024 0.000 1.141 1037 L CA 0.883 55.699 54.840 -0.040 0.000 0.877 1037 L CB -0.964 41.070 42.059 -0.041 0.000 1.009 1037 L HN 0.417 nan 8.230 nan 0.000 0.447 1038 M N -1.864 117.727 119.600 -0.016 0.000 2.861 1038 M HA 0.308 4.788 4.480 -0.000 0.000 0.294 1038 M C -0.441 175.868 176.300 0.015 0.000 1.185 1038 M CA -0.885 54.416 55.300 0.000 0.000 0.809 1038 M CB 1.109 33.714 32.600 0.007 0.000 1.722 1038 M HN -0.194 nan 8.290 nan 0.000 0.496 1039 D N 0.903 121.315 120.400 0.020 0.000 2.253 1039 D HA 0.208 4.848 4.640 -0.000 0.000 0.249 1039 D C -0.551 175.776 176.300 0.045 0.000 1.049 1039 D CA -0.153 53.863 54.000 0.027 0.000 0.929 1039 D CB 0.846 41.657 40.800 0.018 0.000 1.176 1039 D HN 0.452 nan 8.370 nan 0.000 0.437 1040 K N -0.364 120.067 120.400 0.051 0.000 3.278 1040 K HA -0.136 4.184 4.320 -0.000 0.000 0.270 1040 K C -2.336 174.326 176.600 0.103 0.000 0.955 1040 K CA 0.085 56.409 56.287 0.062 0.000 0.723 1040 K CB -1.362 31.162 32.500 0.040 0.000 1.382 1040 K HN 0.354 nan 8.250 nan 0.000 0.461 1041 P HA 0.126 nan 4.420 nan 0.000 0.271 1041 P C -0.385 177.128 177.300 0.354 0.000 1.220 1041 P CA -0.078 63.212 63.100 0.316 0.000 0.768 1041 P CB 1.279 33.171 31.700 0.321 0.000 0.848 1042 V N 4.072 124.125 119.914 0.232 0.000 2.623 1042 V HA 0.253 4.373 4.120 -0.000 0.000 0.304 1042 V C 0.380 176.058 176.094 -0.692 0.000 1.054 1042 V CA -0.964 61.221 62.300 -0.191 0.000 0.882 1042 V CB 2.052 33.806 31.823 -0.115 0.000 1.002 1042 V HN 0.479 nan 8.190 nan 0.000 0.424 1043 K N 3.675 123.175 120.400 -1.500 0.000 2.416 1043 K HA 0.331 4.651 4.320 -0.000 0.000 0.283 1043 K C 0.335 176.534 176.600 -0.669 0.000 1.037 1043 K CA 0.021 55.328 56.287 -1.634 0.000 0.995 1043 K CB 0.624 32.293 32.500 -1.386 0.000 0.938 1043 K HN 0.662 nan 8.250 nan 0.000 0.475 1044 L N 2.740 123.698 121.223 -0.442 0.000 2.262 1044 L HA 0.324 4.664 4.340 -0.000 0.000 0.197 1044 L C 0.502 177.288 176.870 -0.141 0.000 1.073 1044 L CA 0.292 55.011 54.840 -0.202 0.000 0.800 1044 L CB 0.228 42.233 42.059 -0.090 0.000 0.987 1044 L HN 0.804 nan 8.230 nan 0.000 0.470 1045 A N -1.255 121.494 122.820 -0.118 0.000 2.601 1045 A HA 0.612 4.932 4.320 -0.000 0.000 0.291 1045 A C -1.177 176.348 177.584 -0.098 0.000 1.075 1045 A CA -0.283 51.706 52.037 -0.080 0.000 0.671 1045 A CB 1.723 20.769 19.000 0.077 0.000 1.277 1045 A HN -0.143 nan 8.150 nan 0.000 0.417 1046 S N 0.648 116.167 115.700 -0.302 0.000 2.680 1046 S HA 0.620 5.090 4.470 -0.000 0.000 0.262 1046 S C -1.740 172.549 174.600 -0.519 0.000 1.138 1046 S CA -0.469 57.589 58.200 -0.236 0.000 1.072 1046 S CB 0.220 63.334 63.200 -0.142 0.000 1.097 1046 S HN 0.727 nan 8.310 nan 0.000 0.468 1047 H N 3.347 122.480 119.070 0.104 0.000 2.856 1047 H HA 0.518 5.074 4.556 -0.000 0.000 0.355 1047 H C 0.537 175.930 175.328 0.109 0.000 1.079 1047 H CA -0.555 55.551 56.048 0.097 0.000 1.240 1047 H CB 1.556 31.379 29.762 0.102 0.000 1.701 1047 H HN 0.732 nan 8.280 nan 0.000 0.527 1048 R N 0.511 121.087 120.500 0.125 0.000 3.750 1048 R HA -0.244 4.096 4.340 -0.000 0.000 0.495 1048 R C 1.196 177.391 176.300 -0.175 0.000 0.241 1048 R CA 1.951 58.034 56.100 -0.029 0.000 1.551 1048 R CB -0.734 29.551 30.300 -0.026 0.000 0.956 1048 R HN 0.777 nan 8.270 nan 0.000 0.584 1049 E N 1.993 121.904 120.200 -0.482 0.000 2.489 1049 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 1049 E C -0.144 176.186 176.600 -0.450 0.000 1.057 1049 E CA 0.640 56.753 56.400 -0.479 0.000 0.866 1049 E CB 0.080 29.463 29.700 -0.529 0.000 0.916 1049 E HN 0.376 nan 8.360 nan 0.000 0.500 1050 F N 1.752 121.738 119.950 0.061 0.000 2.335 1050 F HA 0.307 4.834 4.527 -0.000 0.000 0.365 1050 F C 0.266 176.114 175.800 0.080 0.000 1.122 1050 F CA -0.647 57.400 58.000 0.078 0.000 1.151 1050 F CB 1.372 40.433 39.000 0.101 0.000 1.282 1050 F HN -0.321 nan 8.300 nan 0.000 0.513 1051 T N 1.978 116.663 114.554 0.220 0.000 2.771 1051 T HA 0.440 4.790 4.350 -0.000 0.000 0.281 1051 T C -0.119 174.729 174.700 0.246 0.000 0.982 1051 T CA -0.507 61.712 62.100 0.197 0.000 0.978 1051 T CB 1.255 70.230 68.868 0.178 0.000 0.930 1051 T HN 0.405 nan 8.240 nan 0.000 0.447 1052 T N 3.550 118.237 114.554 0.223 0.000 2.809 1052 T HA 0.466 4.816 4.350 -0.000 0.000 0.284 1052 T C -1.117 173.713 174.700 0.217 0.000 0.992 1052 T CA -0.608 61.620 62.100 0.214 0.000 0.957 1052 T CB 0.639 69.587 68.868 0.133 0.000 0.942 1052 T HN 0.443 nan 8.240 nan 0.000 0.439 1053 W N 1.969 123.285 121.300 0.026 0.000 2.706 1053 W HA 0.661 5.321 4.660 -0.000 0.000 0.346 1053 W C 0.296 176.821 176.519 0.010 0.000 1.071 1053 W CA -1.098 56.255 57.345 0.014 0.000 1.206 1053 W CB 1.205 30.671 29.460 0.009 0.000 1.413 1053 W HN 0.374 nan 8.180 nan 0.000 0.542 1054 R N 1.595 122.210 120.500 0.191 0.000 2.664 1054 R HA 0.869 5.209 4.340 -0.000 0.000 0.286 1054 R C -0.587 175.806 176.300 0.155 0.000 0.967 1054 R CA -0.286 55.888 56.100 0.123 0.000 0.933 1054 R CB 1.468 31.795 30.300 0.046 0.000 1.146 1054 R HN 0.666 nan 8.270 nan 0.000 0.468 1055 A N 2.511 125.396 122.820 0.109 0.000 2.566 1055 A HA 0.538 4.858 4.320 -0.000 0.000 0.291 1055 A C -1.510 176.104 177.584 0.049 0.000 1.278 1055 A CA -0.637 51.456 52.037 0.093 0.000 0.711 1055 A CB 1.653 20.710 19.000 0.096 0.000 1.332 1055 A HN 0.697 nan 8.150 nan 0.000 0.478 1056 E N -0.825 119.398 120.200 0.037 0.000 2.292 1056 E HA 0.571 4.920 4.350 -0.000 0.000 0.272 1056 E C -2.309 174.298 176.600 0.012 0.000 0.881 1056 E CA -0.569 55.843 56.400 0.020 0.000 0.754 1056 E CB 2.234 31.945 29.700 0.019 0.000 1.201 1056 E HN 0.408 nan 8.360 nan 0.000 0.425 1057 L N 3.873 125.098 121.223 0.003 0.000 2.439 1057 L HA 0.318 4.658 4.340 -0.000 0.000 0.270 1057 L C -1.257 175.610 176.870 -0.005 0.000 0.972 1057 L CA -0.203 54.636 54.840 -0.003 0.000 0.836 1057 L CB 1.557 43.612 42.059 -0.007 0.000 1.255 1057 L HN 0.587 nan 8.230 nan 0.000 0.404 1058 D N 4.547 124.944 120.400 -0.005 0.000 2.720 1058 D HA -0.209 4.431 4.640 -0.000 0.000 0.229 1058 D C 1.211 177.509 176.300 -0.004 0.000 1.198 1058 D CA 1.451 55.448 54.000 -0.005 0.000 0.639 1058 D CB -0.862 39.933 40.800 -0.008 0.000 1.003 1058 D HN 1.157 nan 8.370 nan 0.000 0.411 1059 G N -0.479 108.320 108.800 -0.001 0.000 2.166 1059 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.260 1059 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.260 1059 G C 0.250 175.149 174.900 -0.002 0.000 0.986 1059 G CA 0.855 45.954 45.100 -0.000 0.000 0.683 1059 G HN 0.493 nan 8.290 nan 0.000 0.527 1060 K N 0.980 121.378 120.400 -0.003 0.000 2.221 1060 K HA 0.436 4.756 4.320 -0.000 0.000 0.258 1060 K C -2.613 173.985 176.600 -0.004 0.000 0.944 1060 K CA -1.954 54.329 56.287 -0.006 0.000 0.823 1060 K CB 2.758 35.251 32.500 -0.011 0.000 1.113 1060 K HN 0.034 nan 8.250 nan 0.000 0.431 1061 P HA 0.135 nan 4.420 nan 0.000 0.276 1061 P C -0.608 176.688 177.300 -0.007 0.000 1.230 1061 P CA -0.292 62.808 63.100 -0.000 0.000 0.776 1061 P CB 0.925 32.623 31.700 -0.002 0.000 0.888 1062 V N 4.584 124.500 119.914 0.003 0.000 2.841 1062 V HA 0.338 4.458 4.120 -0.000 0.000 0.310 1062 V C 0.056 176.159 176.094 0.016 0.000 1.090 1062 V CA -0.811 61.486 62.300 -0.005 0.000 0.930 1062 V CB 2.467 34.288 31.823 -0.004 0.000 1.014 1062 V HN 0.399 nan 8.190 nan 0.000 0.425 1063 I N 4.039 124.611 120.570 0.002 0.000 2.437 1063 I HA 0.504 4.674 4.170 -0.000 0.000 0.298 1063 I C -0.255 175.893 176.117 0.053 0.000 0.984 1063 I CA -0.455 60.866 61.300 0.035 0.000 1.214 1063 I CB 1.863 39.871 38.000 0.013 0.000 1.365 1063 I HN 0.241 nan 8.210 nan 0.000 0.469 1064 V N 5.496 125.472 119.914 0.104 0.000 2.444 1064 V HA 0.415 4.535 4.120 -0.000 0.000 0.294 1064 V C -0.447 175.735 176.094 0.147 0.000 1.022 1064 V CA -0.480 61.882 62.300 0.103 0.000 0.850 1064 V CB 2.050 33.919 31.823 0.077 0.000 0.992 1064 V HN 0.902 nan 8.190 nan 0.000 0.426 1065 C N 5.058 124.440 119.300 0.137 0.000 2.551 1065 C HA 0.722 5.182 4.460 -0.000 0.000 0.332 1065 C C 0.409 175.503 174.990 0.173 0.000 1.139 1065 C CA -0.401 58.719 59.018 0.172 0.000 1.328 1065 C CB 1.181 29.024 27.740 0.171 0.000 1.903 1065 C HN 1.022 nan 8.230 nan 0.000 0.459 1066 S N 3.262 119.073 115.700 0.186 0.000 2.584 1066 S HA 0.410 4.880 4.470 -0.000 0.000 0.273 1066 S C 0.893 175.632 174.600 0.231 0.000 1.311 1066 S CA 0.341 58.632 58.200 0.153 0.000 1.034 1066 S CB 1.388 64.643 63.200 0.092 0.000 0.939 1066 S HN 1.023 nan 8.310 nan 0.000 0.513 1067 T N -0.728 113.923 114.554 0.162 0.000 3.037 1067 T HA 0.506 4.856 4.350 -0.000 0.000 0.251 1067 T C 1.250 176.004 174.700 0.090 0.000 1.079 1067 T CA 0.248 62.471 62.100 0.204 0.000 1.067 1067 T CB -0.979 67.961 68.868 0.120 0.000 0.948 1067 T HN 1.851 nan 8.240 nan 0.000 0.496 1068 G N 1.575 110.358 108.800 -0.029 0.000 2.750 1068 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.228 1068 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.228 1068 G C -0.572 174.302 174.900 -0.045 0.000 1.367 1068 G CA -0.446 44.592 45.100 -0.103 0.000 0.871 1068 G HN 0.639 nan 8.290 nan 0.000 0.560 1069 I N 2.220 122.756 120.570 -0.056 0.000 2.371 1069 I HA 0.540 4.710 4.170 -0.000 0.000 0.290 1069 I C 1.067 177.175 176.117 -0.015 0.000 1.028 1069 I CA 1.003 62.285 61.300 -0.031 0.000 1.345 1069 I CB 0.677 38.650 38.000 -0.045 0.000 1.407 1069 I HN 1.991 nan 8.210 nan 0.000 0.501 1070 G N 3.893 112.693 108.800 0.001 0.000 2.619 1070 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.686 1070 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.686 1070 G C 0.525 175.431 174.900 0.010 0.000 1.256 1070 G CA -0.473 44.631 45.100 0.006 0.000 0.826 1070 G HN 0.912 nan 8.290 nan 0.000 0.619 1071 G N 0.440 109.245 108.800 0.007 0.000 2.491 1071 G HA2 0.023 3.983 3.960 -0.000 0.000 0.218 1071 G HA3 0.023 3.983 3.960 -0.000 0.000 0.218 1071 G C 0.167 175.073 174.900 0.010 0.000 1.180 1071 G CA 2.235 47.338 45.100 0.005 0.000 0.774 1071 G HN 0.709 nan 8.290 nan 0.000 0.562 1072 P HA -0.144 nan 4.420 nan 0.000 0.214 1072 P C 2.497 179.822 177.300 0.042 0.000 1.163 1072 P CA 2.561 65.661 63.100 0.000 0.000 0.889 1072 P CB -0.267 31.428 31.700 -0.010 0.000 0.790 1073 S N -2.194 113.547 115.700 0.068 0.000 2.387 1073 S HA -0.111 4.359 4.470 -0.000 0.000 0.226 1073 S C 1.954 176.690 174.600 0.226 0.000 1.026 1073 S CA 1.728 60.037 58.200 0.183 0.000 0.972 1073 S CB -1.953 61.309 63.200 0.102 0.000 0.814 1073 S HN 0.076 nan 8.310 nan 0.000 0.477 1074 T N 3.080 117.702 114.554 0.112 0.000 2.665 1074 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 1074 T C 2.307 177.006 174.700 -0.001 0.000 1.035 1074 T CA 2.030 64.166 62.100 0.061 0.000 1.151 1074 T CB -0.805 68.067 68.868 0.006 0.000 0.862 1074 T HN 0.804 nan 8.240 nan 0.000 0.438 1075 S N 1.049 116.752 115.700 0.005 0.000 2.423 1075 S HA -0.008 4.462 4.470 -0.000 0.000 0.231 1075 S C 2.076 176.676 174.600 -0.000 0.000 1.014 1075 S CA 0.645 58.847 58.200 0.003 0.000 0.965 1075 S CB -0.711 62.583 63.200 0.156 0.000 0.785 1075 S HN 0.515 nan 8.310 nan 0.000 0.495 1076 I N 2.135 122.694 120.570 -0.019 0.000 2.163 1076 I HA -0.115 4.055 4.170 -0.000 0.000 0.240 1076 I C 3.167 179.158 176.117 -0.211 0.000 1.081 1076 I CA 1.135 62.359 61.300 -0.127 0.000 1.353 1076 I CB -0.867 36.980 38.000 -0.255 0.000 1.054 1076 I HN 0.436 nan 8.210 nan 0.000 0.407 1077 A N 0.642 123.321 122.820 -0.236 0.000 1.892 1077 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 1077 A C 2.434 179.982 177.584 -0.060 0.000 1.188 1077 A CA 2.105 54.024 52.037 -0.197 0.000 0.631 1077 A CB -1.092 17.924 19.000 0.026 0.000 0.822 1077 A HN 0.252 nan 8.150 nan 0.000 0.447 1078 V N 0.140 119.983 119.914 -0.118 0.000 2.261 1078 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 1078 V C 2.645 178.659 176.094 -0.133 0.000 1.047 1078 V CA 2.516 64.643 62.300 -0.288 0.000 1.015 1078 V CB -0.824 30.623 31.823 -0.627 0.000 0.642 1078 V HN 0.776 nan 8.190 nan 0.000 0.446 1079 E N 0.916 121.059 120.200 -0.095 0.000 2.070 1079 E HA -0.268 4.082 4.350 -0.000 0.000 0.197 1079 E C 2.070 178.697 176.600 0.044 0.000 1.004 1079 E CA 2.194 58.593 56.400 -0.002 0.000 0.805 1079 E CB -0.339 29.391 29.700 0.050 0.000 0.744 1079 E HN 0.685 nan 8.360 nan 0.000 0.451 1080 E N -0.243 119.972 120.200 0.025 0.000 2.107 1080 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 1080 E C 2.295 178.933 176.600 0.063 0.000 0.982 1080 E CA 0.885 57.306 56.400 0.035 0.000 0.809 1080 E CB -0.123 29.574 29.700 -0.005 0.000 0.756 1080 E HN 0.302 nan 8.360 nan 0.000 0.459 1081 L N 0.614 121.902 121.223 0.107 0.000 2.083 1081 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 1081 L C 2.569 179.551 176.870 0.185 0.000 1.083 1081 L CA 0.971 55.910 54.840 0.166 0.000 0.752 1081 L CB -0.423 41.816 42.059 0.301 0.000 0.899 1081 L HN 0.154 nan 8.230 nan 0.000 0.433 1082 A N -0.621 122.357 122.820 0.263 0.000 1.902 1082 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 1082 A C 2.200 179.850 177.584 0.111 0.000 1.181 1082 A CA 1.475 53.645 52.037 0.221 0.000 0.623 1082 A CB -0.459 18.663 19.000 0.203 0.000 0.818 1082 A HN 0.458 nan 8.150 nan 0.000 0.443 1083 Q N -0.664 119.188 119.800 0.087 0.000 2.135 1083 Q HA -0.105 4.235 4.340 -0.000 0.000 0.204 1083 Q C 1.646 177.674 176.000 0.046 0.000 0.981 1083 Q CA 1.412 57.250 55.803 0.059 0.000 0.856 1083 Q CB -0.273 28.497 28.738 0.053 0.000 0.902 1083 Q HN 0.694 nan 8.270 nan 0.000 0.425 1084 L N -1.515 119.735 121.223 0.046 0.000 2.591 1084 L HA 0.146 4.486 4.340 -0.000 0.000 0.228 1084 L C 1.145 178.025 176.870 0.016 0.000 1.133 1084 L CA 0.498 55.355 54.840 0.028 0.000 0.880 1084 L CB 0.336 42.410 42.059 0.025 0.000 1.033 1084 L HN 0.402 nan 8.230 nan 0.000 0.450 1085 G N -0.456 108.357 108.800 0.021 0.000 2.205 1085 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.180 1085 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.180 1085 G C 0.207 175.089 174.900 -0.029 0.000 1.004 1085 G CA -0.740 44.362 45.100 0.003 0.000 0.670 1085 G HN 0.046 nan 8.290 nan 0.000 0.496 1086 I N 1.173 121.711 120.570 -0.054 0.000 2.618 1086 I HA 0.279 4.449 4.170 -0.000 0.000 0.284 1086 I C 1.311 177.322 176.117 -0.178 0.000 1.146 1086 I CA 0.345 61.519 61.300 -0.209 0.000 1.425 1086 I CB 0.895 38.653 38.000 -0.403 0.000 1.383 1086 I HN 0.112 nan 8.210 nan 0.000 0.562 1087 R N 2.935 123.304 120.500 -0.218 0.000 2.487 1087 R HA 0.202 4.542 4.340 -0.000 0.000 0.272 1087 R C -0.235 176.013 176.300 -0.086 0.000 0.928 1087 R CA 0.155 56.215 56.100 -0.067 0.000 1.077 1087 R CB 0.671 30.960 30.300 -0.019 0.000 1.265 1087 R HN 0.533 nan 8.270 nan 0.000 0.537 1088 T N 1.146 115.516 114.554 -0.306 0.000 2.879 1088 T HA 0.572 4.922 4.350 -0.000 0.000 0.290 1088 T C -1.115 173.346 174.700 -0.398 0.000 0.993 1088 T CA -0.283 61.707 62.100 -0.183 0.000 0.975 1088 T CB 1.272 70.075 68.868 -0.108 0.000 0.981 1088 T HN -0.138 nan 8.240 nan 0.000 0.439 1089 F N 2.837 122.784 119.950 -0.005 0.000 2.499 1089 F HA 0.544 5.071 4.527 -0.000 0.000 0.333 1089 F C -0.260 175.538 175.800 -0.005 0.000 1.138 1089 F CA -0.987 57.010 58.000 -0.005 0.000 0.945 1089 F CB 1.291 40.284 39.000 -0.012 0.000 1.181 1089 F HN 0.190 nan 8.300 nan 0.000 0.435 1090 L N 4.220 125.523 121.223 0.134 0.000 2.298 1090 L HA 0.536 4.876 4.340 -0.000 0.000 0.284 1090 L C -0.097 176.825 176.870 0.086 0.000 1.013 1090 L CA -0.761 54.128 54.840 0.083 0.000 0.824 1090 L CB 1.734 43.812 42.059 0.032 0.000 1.221 1090 L HN 0.566 nan 8.230 nan 0.000 0.418 1091 R N 3.392 123.937 120.500 0.075 0.000 2.308 1091 R HA 0.537 4.877 4.340 -0.000 0.000 0.305 1091 R C -0.946 175.376 176.300 0.038 0.000 1.053 1091 R CA -0.415 55.721 56.100 0.060 0.000 0.957 1091 R CB 1.143 31.472 30.300 0.048 0.000 1.022 1091 R HN 0.529 nan 8.270 nan 0.000 0.461 1092 I N 3.847 124.437 120.570 0.034 0.000 2.418 1092 I HA 0.684 4.854 4.170 -0.000 0.000 0.287 1092 I C -0.695 175.434 176.117 0.021 0.000 1.008 1092 I CA -0.147 61.167 61.300 0.023 0.000 1.104 1092 I CB 1.751 39.760 38.000 0.016 0.000 1.264 1092 I HN 0.750 nan 8.210 nan 0.000 0.438 1093 G N 4.042 112.854 108.800 0.020 0.000 2.766 1093 G HA2 0.685 4.645 3.960 -0.000 0.000 0.288 1093 G HA3 0.685 4.645 3.960 -0.000 0.000 0.288 1093 G C -1.121 173.790 174.900 0.019 0.000 1.408 1093 G CA -0.327 44.784 45.100 0.019 0.000 0.852 1093 G HN 0.667 nan 8.290 nan 0.000 0.487 1094 T N -2.656 111.910 114.554 0.021 0.000 2.918 1094 T HA 0.765 5.115 4.350 -0.000 0.000 0.286 1094 T C -0.263 174.457 174.700 0.033 0.000 1.026 1094 T CA -0.551 61.564 62.100 0.024 0.000 1.031 1094 T CB 2.066 70.946 68.868 0.021 0.000 1.046 1094 T HN 0.948 nan 8.240 nan 0.000 0.479 1095 T N -0.313 114.260 114.554 0.032 0.000 2.821 1095 T HA 0.670 5.020 4.350 -0.000 0.000 0.306 1095 T C -0.800 173.916 174.700 0.027 0.000 1.313 1095 T CA -0.402 61.718 62.100 0.034 0.000 1.012 1095 T CB 1.365 70.245 68.868 0.022 0.000 1.298 1095 T HN 1.190 nan 8.240 nan 0.000 0.502 1096 G N 1.286 110.103 108.800 0.029 0.000 2.422 1096 G HA2 0.677 4.637 3.960 -0.000 0.000 0.317 1096 G HA3 0.677 4.637 3.960 -0.000 0.000 0.317 1096 G C -0.111 174.792 174.900 0.005 0.000 1.210 1096 G CA -0.175 44.936 45.100 0.018 0.000 0.930 1096 G HN 0.970 nan 8.290 nan 0.000 0.468 1097 A N 2.139 124.940 122.820 -0.030 0.000 2.351 1097 A HA 0.588 4.908 4.320 -0.000 0.000 0.257 1097 A C 1.090 178.637 177.584 -0.062 0.000 1.087 1097 A CA -0.442 51.548 52.037 -0.079 0.000 0.798 1097 A CB 0.314 19.236 19.000 -0.130 0.000 1.033 1097 A HN 1.300 nan 8.150 nan 0.000 0.488 1098 I N -2.444 118.069 120.570 -0.095 0.000 4.147 1098 I HA 0.250 4.420 4.170 -0.000 0.000 0.329 1098 I C -0.330 175.745 176.117 -0.069 0.000 1.424 1098 I CA -0.294 60.972 61.300 -0.056 0.000 1.127 1098 I CB 0.203 38.165 38.000 -0.064 0.000 1.128 1098 I HN 0.323 nan 8.210 nan 0.000 0.417 1099 Q N 2.883 122.598 119.800 -0.141 0.000 2.256 1099 Q HA 0.388 4.728 4.340 -0.000 0.000 0.257 1099 Q C -1.824 174.071 176.000 -0.175 0.000 0.936 1099 Q CA -2.094 53.617 55.803 -0.152 0.000 0.903 1099 Q CB 1.889 30.450 28.738 -0.295 0.000 1.263 1099 Q HN 0.058 nan 8.270 nan 0.000 0.440 1100 P HA -0.159 nan 4.420 nan 0.000 0.223 1100 P C 0.816 178.109 177.300 -0.012 0.000 1.151 1100 P CA 1.405 64.496 63.100 -0.014 0.000 0.787 1100 P CB 0.120 31.844 31.700 0.040 0.000 0.788 1101 H N -1.038 118.004 119.070 -0.047 0.000 2.548 1101 H HA 0.176 4.732 4.556 0.000 0.000 0.268 1101 H C 0.697 175.990 175.328 -0.058 0.000 0.975 1101 H CA -0.151 55.877 56.048 -0.032 0.000 1.195 1101 H CB -0.664 29.089 29.762 -0.014 0.000 1.397 1101 H HN 0.127 nan 8.280 nan 0.000 0.572 1102 I N 2.870 123.115 120.570 -0.541 0.000 2.352 1102 I HA 0.079 4.249 4.170 -0.000 0.000 0.290 1102 I C -0.298 175.727 176.117 -0.154 0.000 1.036 1102 I CA -0.172 60.857 61.300 -0.452 0.000 1.336 1102 I CB 0.766 38.381 38.000 -0.643 0.000 1.407 1102 I HN 0.153 nan 8.210 nan 0.000 0.497 1103 N N 4.247 122.933 118.700 -0.022 0.000 2.472 1103 N HA 0.378 5.118 4.740 -0.000 0.000 0.289 1103 N C -0.846 174.664 175.510 0.000 0.000 1.156 1103 N CA -0.872 52.177 53.050 -0.002 0.000 0.940 1103 N CB 1.850 40.353 38.487 0.026 0.000 1.200 1103 N HN 0.220 nan 8.380 nan 0.000 0.511 1104 V N 1.388 121.297 119.914 -0.008 0.000 2.509 1104 V HA 0.184 4.304 4.120 -0.000 0.000 0.297 1104 V C 1.426 177.512 176.094 -0.015 0.000 1.014 1104 V CA 1.322 63.616 62.300 -0.010 0.000 1.127 1104 V CB -0.235 31.581 31.823 -0.012 0.000 0.925 1104 V HN 1.120 nan 8.190 nan 0.000 0.480 1105 G N 3.638 112.426 108.800 -0.020 0.000 2.278 1105 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.210 1105 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.210 1105 G C -0.089 174.806 174.900 -0.009 0.000 1.000 1105 G CA -0.060 45.011 45.100 -0.049 0.000 0.635 1105 G HN 0.665 nan 8.290 nan 0.000 0.495 1106 D N 0.189 120.613 120.400 0.040 0.000 2.360 1106 D HA 0.534 5.174 4.640 -0.000 0.000 0.242 1106 D C 0.376 176.732 176.300 0.093 0.000 1.184 1106 D CA 0.057 54.114 54.000 0.094 0.000 0.930 1106 D CB 1.777 42.693 40.800 0.192 0.000 1.161 1106 D HN 0.217 nan 8.370 nan 0.000 0.447 1107 V N 1.736 121.710 119.914 0.101 0.000 2.495 1107 V HA 0.373 4.493 4.120 -0.000 0.000 0.298 1107 V C -0.215 175.934 176.094 0.092 0.000 1.031 1107 V CA -0.744 61.604 62.300 0.080 0.000 0.871 1107 V CB 1.403 33.265 31.823 0.065 0.000 0.988 1107 V HN 0.282 nan 8.190 nan 0.000 0.432 1108 L N 5.271 126.538 121.223 0.073 0.000 2.305 1108 L HA 0.634 4.974 4.340 -0.000 0.000 0.284 1108 L C -0.695 176.199 176.870 0.041 0.000 1.013 1108 L CA -0.780 54.103 54.840 0.072 0.000 0.819 1108 L CB 1.879 43.966 42.059 0.048 0.000 1.227 1108 L HN 0.316 nan 8.230 nan 0.000 0.417 1109 V N 1.929 121.866 119.914 0.038 0.000 2.370 1109 V HA 0.303 4.423 4.120 -0.000 0.000 0.283 1109 V C 0.314 176.420 176.094 0.019 0.000 1.023 1109 V CA -0.358 61.953 62.300 0.019 0.000 0.857 1109 V CB 1.717 33.543 31.823 0.005 0.000 0.985 1109 V HN 0.727 nan 8.190 nan 0.000 0.443 1110 T N 3.562 118.123 114.554 0.011 0.000 2.743 1110 T HA 0.211 4.561 4.350 -0.000 0.000 0.293 1110 T C 1.315 176.021 174.700 0.011 0.000 0.945 1110 T CA 0.171 62.275 62.100 0.007 0.000 1.030 1110 T CB 1.227 70.094 68.868 -0.001 0.000 0.912 1110 T HN 0.969 nan 8.240 nan 0.000 0.483 1111 T N 0.835 115.398 114.554 0.016 0.000 2.937 1111 T HA 0.473 4.823 4.350 -0.000 0.000 0.260 1111 T C 0.732 175.445 174.700 0.022 0.000 1.051 1111 T CA 0.260 62.376 62.100 0.027 0.000 1.141 1111 T CB 0.181 69.071 68.868 0.036 0.000 0.879 1111 T HN 0.730 nan 8.240 nan 0.000 0.459 1112 A N 0.031 122.855 122.820 0.006 0.000 2.601 1112 A HA 0.684 5.004 4.320 -0.000 0.000 0.291 1112 A C -0.996 176.574 177.584 -0.023 0.000 1.075 1112 A CA -0.841 51.196 52.037 -0.001 0.000 0.671 1112 A CB 1.311 20.309 19.000 -0.003 0.000 1.277 1112 A HN 0.193 nan 8.150 nan 0.000 0.417 1113 S N -0.207 115.477 115.700 -0.026 0.000 2.532 1113 S HA 0.581 5.051 4.470 -0.000 0.000 0.301 1113 S C -0.246 174.304 174.600 -0.084 0.000 1.083 1113 S CA -0.553 57.611 58.200 -0.060 0.000 1.025 1113 S CB 1.627 64.801 63.200 -0.043 0.000 1.056 1113 S HN 0.891 nan 8.310 nan 0.000 0.494 1114 V N 3.321 123.130 119.914 -0.174 0.000 2.529 1114 V HA 0.145 4.265 4.120 -0.000 0.000 0.292 1114 V C 0.643 176.651 176.094 -0.143 0.000 1.028 1114 V CA 0.112 62.267 62.300 -0.243 0.000 1.074 1114 V CB -0.271 31.188 31.823 -0.606 0.000 0.958 1114 V HN 0.701 nan 8.190 nan 0.000 0.481 1115 R N 5.172 125.644 120.500 -0.046 0.000 3.266 1115 R HA 0.329 4.668 4.340 -0.000 0.000 0.224 1115 R C 0.084 176.430 176.300 0.078 0.000 1.525 1115 R CA -0.168 55.950 56.100 0.029 0.000 1.364 1115 R CB 0.046 30.388 30.300 0.071 0.000 1.276 1115 R HN 0.680 nan 8.270 nan 0.000 0.660 1116 L N 1.953 123.225 121.223 0.082 0.000 2.737 1116 L HA 0.110 4.450 4.340 -0.000 0.000 0.236 1116 L C 0.320 177.291 176.870 0.168 0.000 1.219 1116 L CA -0.151 54.809 54.840 0.201 0.000 1.021 1116 L CB -0.779 41.436 42.059 0.260 0.000 1.291 1116 L HN 0.491 nan 8.230 nan 0.000 0.470 1117 D N -1.405 119.067 120.400 0.119 0.000 2.525 1117 D HA 0.290 4.930 4.640 -0.000 0.000 0.249 1117 D C 0.764 177.122 176.300 0.096 0.000 1.072 1117 D CA -0.367 53.687 54.000 0.089 0.000 1.067 1117 D CB 1.845 42.680 40.800 0.058 0.000 1.282 1117 D HN -0.076 nan 8.370 nan 0.000 0.587 1118 G N -0.971 107.866 108.800 0.062 0.000 2.673 1118 G HA2 0.206 4.166 3.960 -0.000 0.000 0.208 1118 G HA3 0.206 4.166 3.960 -0.000 0.000 0.208 1118 G C 1.303 176.209 174.900 0.010 0.000 1.128 1118 G CA 0.630 45.768 45.100 0.062 0.000 0.805 1118 G HN 0.612 nan 8.290 nan 0.000 0.526 1119 A N 1.719 124.496 122.820 -0.071 0.000 1.930 1119 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 1119 A C 2.695 180.367 177.584 0.146 0.000 1.175 1119 A CA 2.353 54.304 52.037 -0.143 0.000 0.627 1119 A CB -0.712 18.263 19.000 -0.041 0.000 0.815 1119 A HN 0.694 nan 8.150 nan 0.000 0.443 1120 S N 0.493 116.300 115.700 0.178 0.000 2.383 1120 S HA -0.167 4.303 4.470 -0.000 0.000 0.229 1120 S C 1.789 176.541 174.600 0.254 0.000 1.030 1120 S CA 1.553 59.901 58.200 0.246 0.000 1.002 1120 S CB -0.907 62.381 63.200 0.147 0.000 0.829 1120 S HN 0.452 nan 8.310 nan 0.000 0.467 1121 L N 0.934 122.284 121.223 0.212 0.000 2.261 1121 L HA -0.116 4.224 4.340 -0.000 0.000 0.216 1121 L C 2.457 179.410 176.870 0.137 0.000 1.114 1121 L CA 1.445 56.392 54.840 0.178 0.000 0.777 1121 L CB -0.824 41.339 42.059 0.174 0.000 0.910 1121 L HN 0.533 nan 8.230 nan 0.000 0.440 1122 H N -2.038 116.971 119.070 -0.101 0.000 2.551 1122 H HA 0.019 4.575 4.556 -0.000 0.000 0.266 1122 H C 1.366 176.312 175.328 -0.637 0.000 0.977 1122 H CA 0.484 56.318 56.048 -0.356 0.000 1.163 1122 H CB 0.405 29.893 29.762 -0.457 0.000 1.381 1122 H HN 0.343 nan 8.280 nan 0.000 0.581 1123 F N -0.075 119.898 119.950 0.037 0.000 2.557 1123 F HA 0.412 4.939 4.527 -0.000 0.000 0.278 1123 F C 0.979 176.689 175.800 -0.150 0.000 1.051 1123 F CA 0.028 57.989 58.000 -0.064 0.000 1.357 1123 F CB 0.819 39.766 39.000 -0.089 0.000 1.104 1123 F HN -0.049 nan 8.300 nan 0.000 0.654 1124 A N 0.268 123.103 122.820 0.025 0.000 2.572 1124 A HA 0.664 4.984 4.320 -0.000 0.000 0.295 1124 A C -2.744 174.857 177.584 0.028 0.000 1.072 1124 A CA -1.567 50.411 52.037 -0.098 0.000 0.691 1124 A CB 0.698 19.432 19.000 -0.442 0.000 1.291 1124 A HN -0.174 nan 8.150 nan 0.000 0.404 1125 P HA 0.104 nan 4.420 nan 0.000 0.271 1125 P C 0.866 178.247 177.300 0.135 0.000 1.233 1125 P CA -0.328 62.822 63.100 0.082 0.000 0.789 1125 P CB 0.640 32.385 31.700 0.074 0.000 0.951 1126 L N 1.892 123.183 121.223 0.113 0.000 2.081 1126 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 1126 L C 2.325 179.277 176.870 0.137 0.000 1.080 1126 L CA 1.968 56.882 54.840 0.122 0.000 0.754 1126 L CB -1.440 40.678 42.059 0.097 0.000 0.893 1126 L HN 0.494 nan 8.230 nan 0.000 0.433 1127 E N -0.970 119.305 120.200 0.125 0.000 2.331 1127 E HA -0.291 4.059 4.350 -0.000 0.000 0.199 1127 E C 0.858 177.534 176.600 0.127 0.000 1.008 1127 E CA 0.411 56.875 56.400 0.107 0.000 0.843 1127 E CB -0.938 28.814 29.700 0.087 0.000 0.761 1127 E HN 0.454 nan 8.360 nan 0.000 0.507 1128 F N 4.046 124.019 119.950 0.040 0.000 2.456 1128 F HA 0.219 4.746 4.527 0.000 0.000 0.358 1128 F C -1.994 173.827 175.800 0.035 0.000 1.095 1128 F CA -2.657 55.366 58.000 0.038 0.000 1.216 1128 F CB 0.762 39.790 39.000 0.047 0.000 1.125 1128 F HN -0.173 nan 8.300 nan 0.000 0.549 1129 P HA 0.107 nan 4.420 nan 0.000 0.276 1129 P C -1.052 176.279 177.300 0.051 0.000 1.243 1129 P CA -0.306 62.718 63.100 -0.126 0.000 0.768 1129 P CB 1.206 32.759 31.700 -0.245 0.000 0.856 1130 A N 4.198 127.080 122.820 0.103 0.000 3.048 1130 A HA 0.206 4.526 4.320 -0.000 0.000 0.264 1130 A C 0.363 177.982 177.584 0.060 0.000 1.796 1130 A CA -0.251 51.855 52.037 0.114 0.000 1.445 1130 A CB -1.033 18.011 19.000 0.074 0.000 1.074 1130 A HN 0.475 nan 8.150 nan 0.000 0.621 1131 V N 1.649 121.598 119.914 0.059 0.000 2.481 1131 V HA 0.655 4.775 4.120 -0.000 0.000 0.286 1131 V C 0.667 176.796 176.094 0.058 0.000 1.042 1131 V CA -0.210 62.110 62.300 0.034 0.000 0.928 1131 V CB 1.256 33.076 31.823 -0.006 0.000 0.986 1131 V HN 0.863 nan 8.190 nan 0.000 0.462 1132 A N 4.364 127.215 122.820 0.051 0.000 2.351 1132 A HA 0.359 4.679 4.320 -0.000 0.000 0.257 1132 A C 0.116 177.747 177.584 0.079 0.000 1.087 1132 A CA -0.203 51.868 52.037 0.056 0.000 0.798 1132 A CB 0.120 19.143 19.000 0.039 0.000 1.033 1132 A HN 1.033 nan 8.150 nan 0.000 0.488 1133 D N 0.253 120.702 120.400 0.081 0.000 2.455 1133 D HA 0.080 4.720 4.640 -0.000 0.000 0.241 1133 D C 0.708 177.075 176.300 0.112 0.000 1.138 1133 D CA 0.113 54.175 54.000 0.103 0.000 0.877 1133 D CB 0.133 40.985 40.800 0.086 0.000 1.187 1133 D HN 0.414 nan 8.370 nan 0.000 0.451 1134 F N 2.892 122.853 119.950 0.019 0.000 2.134 1134 F HA -0.114 4.413 4.527 0.000 0.000 0.299 1134 F C 1.861 177.669 175.800 0.012 0.000 1.097 1134 F CA 1.397 59.404 58.000 0.012 0.000 1.264 1134 F CB 0.120 39.125 39.000 0.009 0.000 1.001 1134 F HN 0.536 nan 8.300 nan 0.000 0.479 1135 E N -0.466 119.703 120.200 -0.051 0.000 2.051 1135 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 1135 E C 2.345 178.853 176.600 -0.153 0.000 0.991 1135 E CA 1.592 57.908 56.400 -0.140 0.000 0.799 1135 E CB -0.474 29.228 29.700 0.003 0.000 0.748 1135 E HN 0.448 nan 8.360 nan 0.000 0.449 1136 C N 0.393 119.648 119.300 -0.075 0.000 2.432 1136 C HA -0.134 4.326 4.460 -0.000 0.000 0.277 1136 C C 2.864 177.799 174.990 -0.092 0.000 1.249 1136 C CA 1.274 60.258 59.018 -0.056 0.000 1.725 1136 C CB -1.009 26.729 27.740 -0.004 0.000 2.028 1136 C HN 0.526 nan 8.230 nan 0.000 0.477 1137 T N 0.538 115.023 114.554 -0.115 0.000 2.684 1137 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 1137 T C 1.770 176.355 174.700 -0.193 0.000 1.036 1137 T CA 2.249 64.273 62.100 -0.126 0.000 1.148 1137 T CB -0.591 68.215 68.868 -0.103 0.000 0.863 1137 T HN 0.609 nan 8.240 nan 0.000 0.436 1138 T N 2.058 116.403 114.554 -0.349 0.000 2.652 1138 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 1138 T C 2.408 176.996 174.700 -0.187 0.000 1.039 1138 T CA 1.332 63.225 62.100 -0.346 0.000 1.153 1138 T CB -0.690 67.853 68.868 -0.541 0.000 0.863 1138 T HN 0.451 nan 8.240 nan 0.000 0.428 1139 A N 1.031 123.758 122.820 -0.155 0.000 1.908 1139 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 1139 A C 2.337 179.875 177.584 -0.076 0.000 1.181 1139 A CA 1.398 53.378 52.037 -0.095 0.000 0.627 1139 A CB -0.909 18.047 19.000 -0.074 0.000 0.818 1139 A HN 0.482 nan 8.150 nan 0.000 0.445 1140 L N -0.816 120.362 121.223 -0.075 0.000 2.027 1140 L HA -0.149 4.191 4.340 -0.000 0.000 0.206 1140 L C 2.563 179.400 176.870 -0.054 0.000 1.074 1140 L CA 1.122 55.930 54.840 -0.053 0.000 0.745 1140 L CB -0.522 41.513 42.059 -0.041 0.000 0.898 1140 L HN 0.251 nan 8.230 nan 0.000 0.433 1141 V N -0.218 119.656 119.914 -0.067 0.000 2.343 1141 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 1141 V C 2.356 178.416 176.094 -0.057 0.000 1.051 1141 V CA 1.819 64.085 62.300 -0.058 0.000 1.036 1141 V CB -0.474 31.312 31.823 -0.063 0.000 0.654 1141 V HN 0.459 nan 8.190 nan 0.000 0.451 1142 E N 0.016 120.177 120.200 -0.065 0.000 2.107 1142 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 1142 E C 2.329 178.898 176.600 -0.052 0.000 0.982 1142 E CA 1.121 57.488 56.400 -0.056 0.000 0.809 1142 E CB -0.262 29.403 29.700 -0.059 0.000 0.756 1142 E HN 0.604 nan 8.360 nan 0.000 0.459 1143 A N 1.575 124.363 122.820 -0.054 0.000 1.898 1143 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 1143 A C 2.395 179.943 177.584 -0.060 0.000 1.181 1143 A CA 1.597 53.602 52.037 -0.053 0.000 0.620 1143 A CB -0.545 18.425 19.000 -0.049 0.000 0.819 1143 A HN 0.284 nan 8.150 nan 0.000 0.442 1144 A N -0.380 122.407 122.820 -0.055 0.000 1.902 1144 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 1144 A C 2.090 179.637 177.584 -0.060 0.000 1.181 1144 A CA 2.169 54.172 52.037 -0.057 0.000 0.623 1144 A CB -0.417 18.558 19.000 -0.042 0.000 0.818 1144 A HN 0.460 nan 8.150 nan 0.000 0.443 1145 K N 0.249 120.617 120.400 -0.052 0.000 2.057 1145 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 1145 K C 2.368 178.939 176.600 -0.049 0.000 1.049 1145 K CA 1.637 57.896 56.287 -0.046 0.000 0.931 1145 K CB -0.226 32.250 32.500 -0.039 0.000 0.714 1145 K HN 0.602 nan 8.250 nan 0.000 0.440 1146 S N 0.326 115.995 115.700 -0.052 0.000 2.428 1146 S HA -0.114 4.356 4.470 -0.000 0.000 0.230 1146 S C 1.730 176.291 174.600 -0.064 0.000 1.014 1146 S CA 1.074 59.244 58.200 -0.051 0.000 0.957 1146 S CB -0.424 62.748 63.200 -0.048 0.000 0.784 1146 S HN 0.431 nan 8.310 nan 0.000 0.499 1147 I N -2.479 118.038 120.570 -0.089 0.000 4.018 1147 I HA 0.600 4.770 4.170 -0.000 0.000 0.337 1147 I C 1.257 177.295 176.117 -0.132 0.000 1.327 1147 I CA 0.320 61.544 61.300 -0.126 0.000 1.100 1147 I CB 0.008 37.897 38.000 -0.186 0.000 1.025 1147 I HN 0.277 nan 8.210 nan 0.000 0.396 1148 G N 1.379 110.128 108.800 -0.086 0.000 2.147 1148 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.244 1148 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.244 1148 G C 0.407 175.293 174.900 -0.024 0.000 1.005 1148 G CA 0.034 45.105 45.100 -0.049 0.000 0.713 1148 G HN 0.997 nan 8.290 nan 0.000 0.515 1149 A N 0.277 123.074 122.820 -0.040 0.000 2.425 1149 A HA 0.720 5.040 4.320 -0.000 0.000 0.249 1149 A C 1.053 178.648 177.584 0.018 0.000 1.084 1149 A CA 0.961 53.032 52.037 0.056 0.000 0.781 1149 A CB 0.361 19.415 19.000 0.090 0.000 1.019 1149 A HN 1.884 nan 8.150 nan 0.000 0.490 1150 T N 0.966 115.535 114.554 0.025 0.000 2.779 1150 T HA 0.472 4.822 4.350 -0.000 0.000 0.296 1150 T C 0.078 174.700 174.700 -0.129 0.000 0.938 1150 T CA 0.100 62.166 62.100 -0.056 0.000 1.119 1150 T CB -0.232 68.616 68.868 -0.034 0.000 0.891 1150 T HN 0.542 nan 8.240 nan 0.000 0.526 1151 T N 4.806 119.219 114.554 -0.236 0.000 2.863 1151 T HA 0.448 4.798 4.350 -0.000 0.000 0.285 1151 T C -0.790 173.654 174.700 -0.427 0.000 1.009 1151 T CA -0.763 61.208 62.100 -0.214 0.000 0.989 1151 T CB 0.938 69.749 68.868 -0.095 0.000 1.004 1151 T HN 0.731 nan 8.240 nan 0.000 0.455 1152 H N 0.786 119.871 119.070 0.026 0.000 2.538 1152 H HA 0.588 5.144 4.556 -0.000 0.000 0.353 1152 H C -1.023 174.318 175.328 0.021 0.000 1.109 1152 H CA -0.584 55.485 56.048 0.035 0.000 1.192 1152 H CB 1.880 31.664 29.762 0.037 0.000 1.555 1152 H HN 0.251 nan 8.280 nan 0.000 0.518 1153 V N 2.132 122.125 119.914 0.132 0.000 2.448 1153 V HA 0.697 4.817 4.120 -0.000 0.000 0.295 1153 V C 0.491 176.630 176.094 0.075 0.000 1.025 1153 V CA -0.207 62.137 62.300 0.074 0.000 0.859 1153 V CB 1.373 33.222 31.823 0.044 0.000 0.988 1153 V HN 1.110 nan 8.190 nan 0.000 0.431 1154 G N 3.238 112.068 108.800 0.051 0.000 2.360 1154 G HA2 0.389 4.349 3.960 -0.000 0.000 0.276 1154 G HA3 0.389 4.349 3.960 -0.000 0.000 0.276 1154 G C -1.500 173.406 174.900 0.011 0.000 1.256 1154 G CA -0.415 44.707 45.100 0.037 0.000 0.890 1154 G HN 0.505 nan 8.290 nan 0.000 0.486 1155 V N 0.901 120.811 119.914 -0.006 0.000 2.509 1155 V HA 0.628 4.748 4.120 -0.000 0.000 0.284 1155 V C 0.280 176.328 176.094 -0.077 0.000 1.047 1155 V CA -0.114 62.163 62.300 -0.037 0.000 0.952 1155 V CB 1.294 33.095 31.823 -0.037 0.000 0.988 1155 V HN 0.748 nan 8.190 nan 0.000 0.469 1156 T N 3.847 118.343 114.554 -0.097 0.000 2.823 1156 T HA 0.645 4.995 4.350 -0.000 0.000 0.279 1156 T C -0.012 174.566 174.700 -0.204 0.000 0.998 1156 T CA -0.271 61.750 62.100 -0.131 0.000 0.994 1156 T CB 1.590 70.412 68.868 -0.075 0.000 0.960 1156 T HN 0.900 nan 8.240 nan 0.000 0.448 1157 A N 2.354 124.994 122.820 -0.299 0.000 2.276 1157 A HA 0.617 4.937 4.320 -0.000 0.000 0.300 1157 A C 0.341 177.864 177.584 -0.102 0.000 1.235 1157 A CA -0.471 51.344 52.037 -0.369 0.000 0.867 1157 A CB 0.417 18.991 19.000 -0.711 0.000 1.137 1157 A HN 0.633 nan 8.150 nan 0.000 0.527 1158 S N 2.101 117.757 115.700 -0.073 0.000 2.520 1158 S HA 0.528 4.998 4.470 -0.000 0.000 0.324 1158 S C -0.116 174.501 174.600 0.029 0.000 1.069 1158 S CA -0.306 57.894 58.200 -0.000 0.000 1.121 1158 S CB 0.345 63.537 63.200 -0.013 0.000 0.971 1158 S HN 1.057 nan 8.310 nan 0.000 0.463 1159 S N 3.417 119.138 115.700 0.036 0.000 2.472 1159 S HA 0.374 4.844 4.470 -0.000 0.000 0.303 1159 S C 0.403 174.994 174.600 -0.015 0.000 1.099 1159 S CA -0.618 57.584 58.200 0.003 0.000 1.077 1159 S CB 1.250 64.395 63.200 -0.091 0.000 1.031 1159 S HN 0.680 nan 8.310 nan 0.000 0.487 1160 D N 2.132 122.530 120.400 -0.004 0.000 2.371 1160 D HA 0.089 4.729 4.640 -0.000 0.000 0.221 1160 D C 0.787 177.076 176.300 -0.019 0.000 0.986 1160 D CA 0.936 54.937 54.000 0.001 0.000 0.899 1160 D CB 0.124 40.941 40.800 0.027 0.000 0.902 1160 D HN 0.743 nan 8.370 nan 0.000 0.530 1161 T N -3.925 110.584 114.554 -0.074 0.000 2.916 1161 T HA 0.295 4.645 4.350 -0.000 0.000 0.292 1161 T C 0.493 175.143 174.700 -0.084 0.000 1.055 1161 T CA -0.900 61.172 62.100 -0.047 0.000 1.009 1161 T CB 1.297 70.126 68.868 -0.066 0.000 1.118 1161 T HN -0.128 nan 8.240 nan 0.000 0.497 1162 F N 0.104 119.932 119.950 -0.204 0.000 2.335 1162 F HA 0.211 4.738 4.527 0.000 0.000 0.296 1162 F C 1.014 176.486 175.800 -0.547 0.000 1.091 1162 F CA 0.636 58.399 58.000 -0.396 0.000 1.399 1162 F CB -0.099 38.611 39.000 -0.483 0.000 1.067 1162 F HN 0.689 nan 8.300 nan 0.000 0.520 1163 Y N 0.766 121.017 120.300 -0.082 0.000 2.304 1163 Y HA 0.137 4.687 4.550 -0.000 0.000 0.265 1163 Y C -0.408 175.304 175.900 -0.314 0.000 1.074 1163 Y CA 0.528 58.524 58.100 -0.174 0.000 1.102 1163 Y CB -1.943 36.507 38.460 -0.016 0.000 1.037 1163 Y HN -0.208 nan 8.280 nan 0.000 0.484 1164 P HA -0.091 nan 4.420 nan 0.000 0.217 1164 P C 1.484 178.499 177.300 -0.475 0.000 1.150 1164 P CA 2.181 65.130 63.100 -0.251 0.000 0.832 1164 P CB -0.245 31.364 31.700 -0.152 0.000 0.787 1165 G N -0.178 108.238 108.800 -0.641 0.000 2.559 1165 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 1165 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 1165 G C 1.330 175.815 174.900 -0.692 0.000 1.126 1165 G CA 0.276 44.755 45.100 -1.035 0.000 0.778 1165 G HN 0.374 nan 8.290 nan 0.000 0.543 1166 Q N -0.593 118.776 119.800 -0.717 0.000 2.172 1166 Q HA 0.204 4.544 4.340 -0.000 0.000 0.217 1166 Q C -0.043 175.617 176.000 -0.566 0.000 0.832 1166 Q CA -0.311 54.829 55.803 -1.105 0.000 1.010 1166 Q CB 0.497 28.495 28.738 -1.233 0.000 1.133 1166 Q HN 0.543 nan 8.270 nan 0.000 0.489 1167 E N 1.645 121.636 120.200 -0.349 0.000 2.228 1167 E HA -0.236 4.114 4.350 -0.000 0.000 0.213 1167 E C -0.906 175.528 176.600 -0.277 0.000 1.282 1167 E CA 0.196 56.445 56.400 -0.252 0.000 0.707 1167 E CB -0.348 29.364 29.700 0.021 0.000 1.150 1167 E HN 0.337 nan 8.360 nan 0.000 0.362 1168 R N 0.187 120.495 120.500 -0.321 0.000 2.254 1168 R HA 0.190 4.530 4.340 -0.000 0.000 0.318 1168 R C 0.312 176.474 176.300 -0.230 0.000 1.031 1168 R CA -0.160 55.841 56.100 -0.165 0.000 0.905 1168 R CB 0.490 30.741 30.300 -0.081 0.000 1.050 1168 R HN 0.211 nan 8.270 nan 0.000 0.456 1169 Y N -0.355 119.971 120.300 0.043 0.000 2.458 1169 Y HA 0.028 4.578 4.550 -0.000 0.000 0.254 1169 Y C 0.670 176.594 175.900 0.040 0.000 1.120 1169 Y CA -0.057 58.064 58.100 0.036 0.000 1.282 1169 Y CB 0.494 38.966 38.460 0.020 0.000 1.109 1169 Y HN 0.500 nan 8.280 nan 0.000 0.526 1170 D N 1.491 122.001 120.400 0.183 0.000 2.558 1170 D HA 0.140 4.780 4.640 -0.000 0.000 0.221 1170 D C -0.035 176.324 176.300 0.099 0.000 1.143 1170 D CA 0.172 54.252 54.000 0.135 0.000 1.010 1170 D CB -0.124 40.755 40.800 0.132 0.000 1.068 1170 D HN 0.245 nan 8.370 nan 0.000 0.511 1171 T N -1.501 113.078 114.554 0.043 0.000 2.716 1171 T HA 0.158 4.508 4.350 -0.000 0.000 0.286 1171 T C 0.969 175.669 174.700 0.000 0.000 1.052 1171 T CA -0.822 61.256 62.100 -0.038 0.000 1.024 1171 T CB 0.293 69.114 68.868 -0.079 0.000 1.349 1171 T HN 0.158 nan 8.240 nan 0.000 0.525 1172 Y N 1.394 121.624 120.300 -0.116 0.000 2.114 1172 Y HA -0.174 4.376 4.550 -0.000 0.000 0.282 1172 Y C 2.745 178.623 175.900 -0.037 0.000 1.165 1172 Y CA 2.732 60.788 58.100 -0.073 0.000 1.148 1172 Y CB -0.229 38.179 38.460 -0.087 0.000 0.972 1172 Y HN 0.738 nan 8.280 nan 0.000 0.504 1173 S N -1.164 114.427 115.700 -0.181 0.000 2.458 1173 S HA 0.179 4.649 4.470 -0.000 0.000 0.223 1173 S C 1.770 176.304 174.600 -0.110 0.000 1.019 1173 S CA 0.570 58.636 58.200 -0.224 0.000 0.937 1173 S CB -0.205 62.960 63.200 -0.059 0.000 0.788 1173 S HN 0.993 nan 8.310 nan 0.000 0.511 1174 G N 1.974 110.753 108.800 -0.034 0.000 2.155 1174 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.257 1174 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.257 1174 G C -0.014 174.980 174.900 0.157 0.000 0.983 1174 G CA 0.424 45.557 45.100 0.056 0.000 0.676 1174 G HN 1.019 nan 8.290 nan 0.000 0.528 1175 R N -1.436 119.119 120.500 0.092 0.000 2.771 1175 R HA 0.779 5.119 4.340 -0.000 0.000 0.274 1175 R C -1.368 174.939 176.300 0.012 0.000 0.987 1175 R CA -0.880 55.301 56.100 0.135 0.000 0.908 1175 R CB 1.968 32.322 30.300 0.090 0.000 1.213 1175 R HN 0.284 nan 8.270 nan 0.000 0.468 1176 V N 2.532 122.470 119.914 0.039 0.000 2.540 1176 V HA 0.273 4.393 4.120 -0.000 0.000 0.302 1176 V C 0.173 176.326 176.094 0.098 0.000 1.035 1176 V CA -1.048 61.231 62.300 -0.034 0.000 0.873 1176 V CB 1.709 33.396 31.823 -0.226 0.000 0.992 1176 V HN 0.679 nan 8.190 nan 0.000 0.428 1177 V N 5.847 125.839 119.914 0.129 0.000 2.843 1177 V HA -0.030 4.090 4.120 -0.000 0.000 0.305 1177 V C 1.958 178.161 176.094 0.182 0.000 1.120 1177 V CA 0.897 63.300 62.300 0.171 0.000 1.254 1177 V CB 0.656 32.613 31.823 0.224 0.000 0.901 1177 V HN 0.987 nan 8.190 nan 0.000 0.503 1178 R N 3.792 124.372 120.500 0.134 0.000 2.133 1178 R HA -0.289 4.051 4.340 -0.000 0.000 0.245 1178 R C 1.968 178.318 176.300 0.083 0.000 1.137 1178 R CA 2.851 59.010 56.100 0.099 0.000 0.947 1178 R CB -0.694 29.652 30.300 0.076 0.000 0.865 1178 R HN 1.013 nan 8.270 nan 0.000 0.437 1179 H N -0.868 118.192 119.070 -0.017 0.000 2.394 1179 H HA -0.168 4.388 4.556 -0.000 0.000 0.297 1179 H C 1.318 176.469 175.328 -0.295 0.000 1.113 1179 H CA 2.437 58.381 56.048 -0.173 0.000 1.277 1179 H CB -0.275 29.337 29.762 -0.250 0.000 1.370 1179 H HN 0.304 nan 8.280 nan 0.000 0.506 1180 F N -0.182 119.744 119.950 -0.040 0.000 2.749 1180 F HA 0.218 4.745 4.527 0.000 0.000 0.300 1180 F C 1.057 176.825 175.800 -0.053 0.000 1.103 1180 F CA -0.204 57.746 58.000 -0.084 0.000 1.342 1180 F CB 0.272 39.273 39.000 0.002 0.000 1.098 1180 F HN -0.143 nan 8.300 nan 0.000 0.586 1181 K N 0.542 121.011 120.400 0.114 0.000 2.436 1181 K HA 0.225 4.545 4.320 -0.000 0.000 0.282 1181 K C 1.167 177.791 176.600 0.041 0.000 1.044 1181 K CA 0.958 57.322 56.287 0.128 0.000 1.028 1181 K CB 0.085 32.656 32.500 0.117 0.000 0.919 1181 K HN 0.365 nan 8.250 nan 0.000 0.474 1182 G N 2.148 110.991 108.800 0.072 0.000 2.162 1182 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 1182 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 1182 G C 0.827 175.661 174.900 -0.111 0.000 0.976 1182 G CA 0.887 45.979 45.100 -0.013 0.000 0.655 1182 G HN 0.730 nan 8.290 nan 0.000 0.533 1183 S N -0.712 114.926 115.700 -0.103 0.000 2.406 1183 S HA 0.037 4.507 4.470 -0.000 0.000 0.228 1183 S C 2.260 176.636 174.600 -0.374 0.000 1.020 1183 S CA 1.659 59.664 58.200 -0.326 0.000 0.965 1183 S CB -0.242 62.904 63.200 -0.090 0.000 0.798 1183 S HN 0.771 nan 8.310 nan 0.000 0.488 1184 M N 1.548 121.167 119.600 0.032 0.000 2.132 1184 M HA -0.045 4.435 4.480 -0.000 0.000 0.263 1184 M C 2.342 178.665 176.300 0.038 0.000 1.065 1184 M CA 1.988 57.408 55.300 0.200 0.000 1.122 1184 M CB -0.282 32.500 32.600 0.303 0.000 1.365 1184 M HN 0.478 nan 8.290 nan 0.000 0.411 1185 E N 0.074 120.264 120.200 -0.017 0.000 2.118 1185 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 1185 E C 1.829 178.371 176.600 -0.097 0.000 0.992 1185 E CA 1.470 57.847 56.400 -0.038 0.000 0.804 1185 E CB -0.030 29.647 29.700 -0.037 0.000 0.741 1185 E HN 0.577 nan 8.360 nan 0.000 0.458 1186 E N -0.285 119.770 120.200 -0.241 0.000 2.047 1186 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 1186 E C 1.876 178.367 176.600 -0.181 0.000 0.987 1186 E CA 1.267 57.480 56.400 -0.311 0.000 0.799 1186 E CB -0.292 29.077 29.700 -0.552 0.000 0.752 1186 E HN 0.501 nan 8.360 nan 0.000 0.449 1187 W N 1.343 122.637 121.300 -0.009 0.000 2.363 1187 W HA -0.173 4.487 4.660 -0.000 0.000 0.296 1187 W C 2.567 179.048 176.519 -0.062 0.000 1.212 1187 W CA 0.210 57.525 57.345 -0.049 0.000 1.260 1187 W CB -0.297 29.096 29.460 -0.112 0.000 1.131 1187 W HN 0.191 nan 8.180 nan 0.000 0.530 1188 Q N 0.637 120.518 119.800 0.135 0.000 2.030 1188 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 1188 Q C 2.500 178.535 176.000 0.058 0.000 0.986 1188 Q CA 2.406 58.250 55.803 0.068 0.000 0.843 1188 Q CB -0.558 28.205 28.738 0.041 0.000 0.904 1188 Q HN 0.288 nan 8.270 nan 0.000 0.420 1189 A N -0.073 122.769 122.820 0.038 0.000 2.019 1189 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 1189 A C 1.802 179.414 177.584 0.046 0.000 1.164 1189 A CA 1.284 53.338 52.037 0.027 0.000 0.644 1189 A CB -0.352 18.648 19.000 0.000 0.000 0.805 1189 A HN 0.394 nan 8.150 nan 0.000 0.449 1190 M N -1.253 118.395 119.600 0.081 0.000 2.561 1190 M HA 0.167 4.647 4.480 -0.000 0.000 0.238 1190 M C 1.299 177.651 176.300 0.086 0.000 1.131 1190 M CA 0.746 56.105 55.300 0.099 0.000 1.046 1190 M CB 0.248 32.953 32.600 0.175 0.000 1.532 1190 M HN 0.618 nan 8.290 nan 0.000 0.497 1191 G N 0.456 109.300 108.800 0.075 0.000 2.157 1191 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 1191 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 1191 G C 0.093 175.019 174.900 0.044 0.000 0.979 1191 G CA -0.161 44.976 45.100 0.062 0.000 0.650 1191 G HN 0.309 nan 8.290 nan 0.000 0.529 1192 V N 1.750 121.688 119.914 0.040 0.000 2.599 1192 V HA 0.189 4.309 4.120 -0.000 0.000 0.300 1192 V C 1.862 177.913 176.094 -0.072 0.000 1.034 1192 V CA 1.188 63.470 62.300 -0.030 0.000 1.115 1192 V CB 1.210 32.998 31.823 -0.058 0.000 0.934 1192 V HN 0.403 nan 8.190 nan 0.000 0.485 1193 M N 3.226 122.767 119.600 -0.098 0.000 2.287 1193 M HA 0.100 4.580 4.480 -0.000 0.000 0.266 1193 M C 0.628 176.831 176.300 -0.162 0.000 1.079 1193 M CA 1.027 56.253 55.300 -0.124 0.000 1.146 1193 M CB 0.008 32.552 32.600 -0.094 0.000 1.374 1193 M HN 0.962 nan 8.290 nan 0.000 0.435 1194 N N -1.667 116.917 118.700 -0.194 0.000 3.185 1194 N HA 0.155 4.895 4.740 -0.000 0.000 0.238 1194 N C -1.981 173.383 175.510 -0.244 0.000 1.451 1194 N CA -0.686 52.258 53.050 -0.176 0.000 0.888 1194 N CB 1.097 39.534 38.487 -0.083 0.000 1.413 1194 N HN 0.007 nan 8.380 nan 0.000 0.511 1195 Y N -0.396 119.859 120.300 -0.075 0.000 2.377 1195 Y HA 0.472 5.022 4.550 0.000 0.000 0.339 1195 Y C 0.272 176.125 175.900 -0.077 0.000 1.011 1195 Y CA -0.323 57.721 58.100 -0.094 0.000 1.093 1195 Y CB 1.739 40.128 38.460 -0.119 0.000 1.201 1195 Y HN 0.780 nan 8.280 nan 0.000 0.455 1196 E N 0.334 120.600 120.200 0.110 0.000 2.421 1196 E HA 0.479 4.829 4.350 -0.000 0.000 0.265 1196 E C -1.036 175.592 176.600 0.047 0.000 0.990 1196 E CA -0.805 55.634 56.400 0.064 0.000 0.874 1196 E CB 1.131 30.856 29.700 0.040 0.000 1.646 1196 E HN 0.535 nan 8.360 nan 0.000 0.451 1197 M N -0.513 119.109 119.600 0.036 0.000 2.340 1197 M HA 0.350 4.830 4.480 -0.000 0.000 0.345 1197 M C -0.093 176.217 176.300 0.017 0.000 1.008 1197 M CA 0.225 55.541 55.300 0.026 0.000 0.987 1197 M CB 0.673 33.293 32.600 0.033 0.000 1.598 1197 M HN 0.518 nan 8.290 nan 0.000 0.569 1198 E N -0.704 119.505 120.200 0.014 0.000 2.500 1198 E HA 0.061 4.411 4.350 -0.000 0.000 0.217 1198 E C 1.850 178.447 176.600 -0.005 0.000 0.848 1198 E CA 0.598 57.001 56.400 0.005 0.000 1.217 1198 E CB 0.422 30.127 29.700 0.008 0.000 1.217 1198 E HN 0.313 nan 8.360 nan 0.000 0.573 1199 S N 0.949 116.648 115.700 -0.003 0.000 2.368 1199 S HA -0.128 4.342 4.470 -0.000 0.000 0.225 1199 S C 2.246 176.839 174.600 -0.011 0.000 1.030 1199 S CA 1.007 59.202 58.200 -0.009 0.000 0.999 1199 S CB -0.351 62.846 63.200 -0.006 0.000 0.844 1199 S HN 0.229 nan 8.310 nan 0.000 0.459 1200 A N 1.812 124.631 122.820 -0.003 0.000 1.883 1200 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 1200 A C 2.458 180.048 177.584 0.010 0.000 1.186 1200 A CA 2.279 54.322 52.037 0.011 0.000 0.624 1200 A CB -1.742 17.271 19.000 0.022 0.000 0.822 1200 A HN 0.576 nan 8.150 nan 0.000 0.444 1201 T N -0.128 114.424 114.554 -0.004 0.000 2.701 1201 T HA -0.110 4.240 4.350 -0.000 0.000 0.263 1201 T C 1.875 176.502 174.700 -0.122 0.000 1.040 1201 T CA 1.478 63.562 62.100 -0.027 0.000 1.147 1201 T CB -0.412 68.449 68.868 -0.012 0.000 0.865 1201 T HN 0.341 nan 8.240 nan 0.000 0.426 1202 L N 1.160 122.315 121.223 -0.113 0.000 1.989 1202 L HA -0.013 4.327 4.340 -0.000 0.000 0.211 1202 L C 2.186 178.965 176.870 -0.152 0.000 1.071 1202 L CA 1.738 56.477 54.840 -0.168 0.000 0.749 1202 L CB -0.766 41.230 42.059 -0.106 0.000 0.890 1202 L HN 0.250 nan 8.230 nan 0.000 0.431 1203 L N -1.336 119.848 121.223 -0.066 0.000 2.093 1203 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 1203 L C 2.327 179.198 176.870 0.002 0.000 1.085 1203 L CA 1.592 56.422 54.840 -0.016 0.000 0.755 1203 L CB -1.117 40.954 42.059 0.020 0.000 0.904 1203 L HN 0.308 nan 8.230 nan 0.000 0.435 1204 T N 0.485 115.034 114.554 -0.007 0.000 2.777 1204 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 1204 T C 1.861 176.477 174.700 -0.141 0.000 1.040 1204 T CA 1.770 63.888 62.100 0.030 0.000 1.141 1204 T CB -0.180 68.732 68.868 0.073 0.000 0.868 1204 T HN 0.441 nan 8.240 nan 0.000 0.444 1205 M N 0.080 119.469 119.600 -0.352 0.000 2.319 1205 M HA 0.023 4.503 4.480 -0.000 0.000 0.265 1205 M C 2.160 178.203 176.300 -0.428 0.000 1.068 1205 M CA 1.393 56.259 55.300 -0.723 0.000 1.118 1205 M CB -0.936 30.765 32.600 -1.498 0.000 1.395 1205 M HN 0.163 nan 8.290 nan 0.000 0.435 1206 C N 1.371 120.506 119.300 -0.275 0.000 2.500 1206 C HA 0.195 4.655 4.460 -0.000 0.000 0.279 1206 C C 3.259 178.235 174.990 -0.023 0.000 1.288 1206 C CA 0.942 59.877 59.018 -0.138 0.000 1.710 1206 C CB -1.090 26.601 27.740 -0.081 0.000 2.052 1206 C HN 0.759 nan 8.230 nan 0.000 0.488 1207 A N 1.016 123.859 122.820 0.038 0.000 2.019 1207 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 1207 A C 2.131 179.821 177.584 0.178 0.000 1.164 1207 A CA 2.130 54.266 52.037 0.166 0.000 0.644 1207 A CB -0.573 18.611 19.000 0.307 0.000 0.805 1207 A HN 0.713 nan 8.150 nan 0.000 0.449 1208 S N -2.030 113.657 115.700 -0.021 0.000 2.577 1208 S HA 0.192 4.662 4.470 -0.000 0.000 0.219 1208 S C 0.896 175.458 174.600 -0.063 0.000 0.962 1208 S CA 0.194 58.294 58.200 -0.166 0.000 0.921 1208 S CB 0.095 62.993 63.200 -0.503 0.000 0.789 1208 S HN 0.625 nan 8.310 nan 0.000 0.497 1209 Q N 0.218 120.004 119.800 -0.023 0.000 2.093 1209 Q HA 0.328 4.668 4.340 -0.000 0.000 0.217 1209 Q C 0.659 176.678 176.000 0.032 0.000 0.785 1209 Q CA 0.061 55.865 55.803 0.002 0.000 1.038 1209 Q CB 1.098 29.824 28.738 -0.021 0.000 1.190 1209 Q HN 0.633 nan 8.270 nan 0.000 0.468 1210 G N 1.624 110.454 108.800 0.050 0.000 2.198 1210 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 1210 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 1210 G C -0.084 174.861 174.900 0.076 0.000 1.025 1210 G CA 0.258 45.397 45.100 0.064 0.000 0.769 1210 G HN 0.252 nan 8.290 nan 0.000 0.507 1211 L N -0.502 120.772 121.223 0.084 0.000 2.334 1211 L HA 0.621 4.961 4.340 -0.000 0.000 0.275 1211 L C 1.018 177.971 176.870 0.138 0.000 1.036 1211 L CA -1.107 53.817 54.840 0.139 0.000 0.807 1211 L CB 1.265 43.443 42.059 0.199 0.000 1.231 1211 L HN 0.050 nan 8.230 nan 0.000 0.438 1212 R N 1.813 122.406 120.500 0.155 0.000 2.297 1212 R HA 0.732 5.072 4.340 -0.000 0.000 0.308 1212 R C -0.661 175.743 176.300 0.174 0.000 1.029 1212 R CA -0.432 55.744 56.100 0.128 0.000 0.929 1212 R CB 1.507 31.857 30.300 0.083 0.000 1.046 1212 R HN 0.726 nan 8.270 nan 0.000 0.461 1213 A N 1.507 124.404 122.820 0.128 0.000 2.475 1213 A HA 0.810 5.130 4.320 -0.000 0.000 0.301 1213 A C -0.715 176.915 177.584 0.077 0.000 1.059 1213 A CA -0.652 51.463 52.037 0.129 0.000 0.710 1213 A CB 2.212 21.264 19.000 0.086 0.000 1.288 1213 A HN 0.760 nan 8.150 nan 0.000 0.408 1214 G N 0.552 109.394 108.800 0.069 0.000 2.619 1214 G HA2 0.630 4.590 3.960 -0.000 0.000 0.296 1214 G HA3 0.630 4.590 3.960 -0.000 0.000 0.296 1214 G C -1.213 173.707 174.900 0.035 0.000 1.334 1214 G CA -0.472 44.650 45.100 0.036 0.000 0.934 1214 G HN 0.561 nan 8.290 nan 0.000 0.476 1215 M N 1.358 120.970 119.600 0.020 0.000 2.326 1215 M HA 0.557 5.037 4.480 -0.000 0.000 0.292 1215 M C -1.557 174.751 176.300 0.013 0.000 1.081 1215 M CA -0.794 54.517 55.300 0.019 0.000 0.919 1215 M CB 1.852 34.460 32.600 0.014 0.000 1.634 1215 M HN 0.468 nan 8.290 nan 0.000 0.451 1216 V N 3.146 123.070 119.914 0.016 0.000 2.888 1216 V HA 0.984 5.104 4.120 -0.000 0.000 0.309 1216 V C -1.593 174.512 176.094 0.020 0.000 1.114 1216 V CA -0.249 62.060 62.300 0.015 0.000 0.940 1216 V CB 2.020 33.849 31.823 0.010 0.000 1.021 1216 V HN 1.006 nan 8.190 nan 0.000 0.426 1217 A N 3.841 126.675 122.820 0.023 0.000 2.549 1217 A HA 0.926 5.246 4.320 -0.000 0.000 0.297 1217 A C -0.235 177.367 177.584 0.031 0.000 1.061 1217 A CA -0.142 51.909 52.037 0.025 0.000 0.690 1217 A CB 1.883 20.895 19.000 0.021 0.000 1.287 1217 A HN 1.603 nan 8.150 nan 0.000 0.402 1218 G N -0.057 108.761 108.800 0.029 0.000 2.367 1218 G HA2 0.528 4.488 3.960 -0.000 0.000 0.314 1218 G HA3 0.528 4.488 3.960 -0.000 0.000 0.314 1218 G C -0.536 174.376 174.900 0.021 0.000 1.130 1218 G CA -0.382 44.736 45.100 0.030 0.000 0.864 1218 G HN 0.942 nan 8.290 nan 0.000 0.486 1219 V N 3.335 123.260 119.914 0.018 0.000 2.427 1219 V HA 0.111 4.231 4.120 -0.000 0.000 0.268 1219 V C 1.280 177.376 176.094 0.002 0.000 1.046 1219 V CA -0.004 62.300 62.300 0.007 0.000 0.970 1219 V CB 0.574 32.397 31.823 -0.000 0.000 1.001 1219 V HN 0.771 nan 8.190 nan 0.000 0.476 1220 I N 3.478 124.053 120.570 0.007 0.000 3.708 1220 I HA 0.438 4.608 4.170 -0.000 0.000 0.302 1220 I C 0.434 176.557 176.117 0.009 0.000 1.255 1220 I CA 0.577 61.881 61.300 0.007 0.000 1.362 1220 I CB 0.743 38.752 38.000 0.015 0.000 1.100 1220 I HN 0.414 nan 8.210 nan 0.000 0.434 1221 V N 1.121 121.040 119.914 0.010 0.000 3.087 1221 V HA 0.452 4.572 4.120 -0.000 0.000 0.306 1221 V C -1.675 174.418 176.094 -0.002 0.000 1.187 1221 V CA -0.663 61.642 62.300 0.008 0.000 0.999 1221 V CB 2.369 34.204 31.823 0.021 0.000 1.049 1221 V HN 0.348 nan 8.190 nan 0.000 0.431 1222 N N 3.941 122.638 118.700 -0.005 0.000 2.446 1222 N HA 0.364 5.104 4.740 -0.000 0.000 0.265 1222 N C 0.549 176.060 175.510 0.001 0.000 0.975 1222 N CA -0.603 52.439 53.050 -0.013 0.000 0.928 1222 N CB 1.656 40.128 38.487 -0.024 0.000 1.160 1222 N HN 0.563 nan 8.380 nan 0.000 0.495 1223 R N 0.772 121.277 120.500 0.009 0.000 2.237 1223 R HA -0.047 4.293 4.340 -0.000 0.000 0.219 1223 R C 1.420 177.738 176.300 0.030 0.000 1.080 1223 R CA 0.870 56.987 56.100 0.028 0.000 0.995 1223 R CB -0.702 29.636 30.300 0.063 0.000 0.875 1223 R HN 0.657 nan 8.270 nan 0.000 0.462 1224 T N -1.503 113.060 114.554 0.016 0.000 3.160 1224 T HA -0.010 4.340 4.350 -0.000 0.000 0.257 1224 T C 1.319 176.029 174.700 0.016 0.000 1.147 1224 T CA 0.475 62.585 62.100 0.017 0.000 1.064 1224 T CB 0.131 69.004 68.868 0.008 0.000 0.949 1224 T HN 0.349 nan 8.240 nan 0.000 0.526 1225 Q N -0.890 118.920 119.800 0.016 0.000 2.215 1225 Q HA 0.359 4.699 4.340 -0.000 0.000 0.257 1225 Q C 0.233 176.245 176.000 0.021 0.000 0.792 1225 Q CA -0.186 55.627 55.803 0.016 0.000 0.958 1225 Q CB 0.830 29.575 28.738 0.012 0.000 1.158 1225 Q HN 0.484 nan 8.270 nan 0.000 0.490 1226 Q N -0.299 119.516 119.800 0.024 0.000 2.435 1226 Q HA 0.288 4.628 4.340 -0.000 0.000 0.282 1226 Q C -0.443 175.574 176.000 0.028 0.000 1.020 1226 Q CA -0.218 55.602 55.803 0.029 0.000 0.820 1226 Q CB 2.774 31.528 28.738 0.027 0.000 1.436 1226 Q HN 0.051 nan 8.270 nan 0.000 0.395 1227 E N 0.747 120.969 120.200 0.037 0.000 2.057 1227 E HA 0.109 4.459 4.350 -0.000 0.000 0.191 1227 E C 0.154 176.769 176.600 0.024 0.000 0.959 1227 E CA 0.413 56.824 56.400 0.019 0.000 0.828 1227 E CB 0.507 30.238 29.700 0.052 0.000 0.800 1227 E HN 0.360 nan 8.360 nan 0.000 0.460 1228 I N 3.364 123.980 120.570 0.077 0.000 2.371 1228 I HA 0.156 4.326 4.170 -0.000 0.000 0.290 1228 I C -1.902 174.263 176.117 0.080 0.000 1.028 1228 I CA -2.168 59.201 61.300 0.115 0.000 1.345 1228 I CB 0.141 38.222 38.000 0.136 0.000 1.407 1228 I HN -0.043 nan 8.210 nan 0.000 0.501 1235 K N 0.778 121.162 120.400 -0.027 0.000 2.283 1235 K HA -0.015 4.305 4.320 -0.000 0.000 0.202 1235 K C 1.533 178.118 176.600 -0.024 0.000 1.048 1235 K CA 1.450 57.723 56.287 -0.023 0.000 0.948 1235 K CB 0.096 32.585 32.500 -0.019 0.000 0.742 1235 K HN 0.519 nan 8.250 nan 0.000 0.458 1236 Q N -0.667 119.108 119.800 -0.041 0.000 2.389 1236 Q HA -0.039 4.301 4.340 -0.000 0.000 0.204 1236 Q C 1.358 177.294 176.000 -0.107 0.000 0.944 1236 Q CA 0.953 56.724 55.803 -0.054 0.000 0.908 1236 Q CB 0.481 29.174 28.738 -0.076 0.000 1.002 1236 Q HN 0.316 nan 8.270 nan 0.000 0.493 1237 T N 1.127 115.619 114.554 -0.103 0.000 2.770 1237 T HA -0.163 4.187 4.350 -0.000 0.000 0.263 1237 T C 1.588 176.285 174.700 -0.004 0.000 1.039 1237 T CA 1.601 63.640 62.100 -0.102 0.000 1.142 1237 T CB -0.080 68.748 68.868 -0.068 0.000 0.868 1237 T HN 0.540 nan 8.240 nan 0.000 0.435 1238 E N 0.912 121.113 120.200 0.002 0.000 2.208 1238 E HA 0.011 4.361 4.350 -0.000 0.000 0.193 1238 E C 2.238 178.859 176.600 0.035 0.000 0.988 1238 E CA 0.999 57.410 56.400 0.019 0.000 0.828 1238 E CB -0.334 29.368 29.700 0.003 0.000 0.763 1238 E HN 0.166 nan 8.360 nan 0.000 0.478 1239 S N -0.186 115.537 115.700 0.040 0.000 2.399 1239 S HA -0.171 4.299 4.470 -0.000 0.000 0.231 1239 S C 1.669 176.344 174.600 0.125 0.000 1.022 1239 S CA 1.054 59.291 58.200 0.061 0.000 0.983 1239 S CB -0.381 62.854 63.200 0.058 0.000 0.803 1239 S HN 0.466 nan 8.310 nan 0.000 0.480 1240 H N -0.080 118.982 119.070 -0.013 0.000 2.307 1240 H HA 0.023 4.579 4.556 -0.000 0.000 0.303 1240 H C 2.480 177.800 175.328 -0.013 0.000 1.073 1240 H CA 1.014 57.055 56.048 -0.012 0.000 1.338 1240 H CB -0.136 29.621 29.762 -0.009 0.000 1.389 1240 H HN 0.463 nan 8.280 nan 0.000 0.503 1241 A N 0.608 123.504 122.820 0.127 0.000 1.902 1241 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 1241 A C 2.650 180.249 177.584 0.025 0.000 1.181 1241 A CA 1.496 53.567 52.037 0.058 0.000 0.623 1241 A CB -0.846 18.183 19.000 0.048 0.000 0.818 1241 A HN 0.205 nan 8.150 nan 0.000 0.443 1242 V N -0.190 119.737 119.914 0.022 0.000 2.295 1242 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 1242 V C 2.505 178.594 176.094 -0.010 0.000 1.049 1242 V CA 2.438 64.738 62.300 0.001 0.000 1.024 1242 V CB -0.645 31.174 31.823 -0.007 0.000 0.648 1242 V HN 0.588 nan 8.190 nan 0.000 0.447 1243 K N -0.220 120.174 120.400 -0.011 0.000 2.074 1243 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 1243 K C 1.931 178.506 176.600 -0.042 0.000 1.048 1243 K CA 1.739 58.006 56.287 -0.033 0.000 0.926 1243 K CB -0.315 32.152 32.500 -0.055 0.000 0.713 1243 K HN 0.414 nan 8.250 nan 0.000 0.444 1244 I N -0.503 120.043 120.570 -0.040 0.000 2.252 1244 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 1244 I C 2.162 178.262 176.117 -0.029 0.000 1.102 1244 I CA 0.798 62.073 61.300 -0.041 0.000 1.385 1244 I CB -0.174 37.806 38.000 -0.033 0.000 1.064 1244 I HN 0.028 nan 8.210 nan 0.000 0.414 1245 V N 0.311 120.214 119.914 -0.017 0.000 2.407 1245 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 1245 V C 2.367 178.450 176.094 -0.017 0.000 1.055 1245 V CA 1.663 63.955 62.300 -0.013 0.000 1.049 1245 V CB 0.139 31.961 31.823 -0.002 0.000 0.662 1245 V HN 0.209 nan 8.190 nan 0.000 0.455 1246 V N 0.001 119.903 119.914 -0.020 0.000 2.358 1246 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 1246 V C 2.533 178.611 176.094 -0.026 0.000 1.047 1246 V CA 2.237 64.524 62.300 -0.022 0.000 1.035 1246 V CB -0.648 31.161 31.823 -0.024 0.000 0.658 1246 V HN 0.657 nan 8.190 nan 0.000 0.452 1247 E N 0.821 121.003 120.200 -0.031 0.000 2.110 1247 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 1247 E C 2.092 178.672 176.600 -0.034 0.000 0.988 1247 E CA 1.620 58.000 56.400 -0.034 0.000 0.804 1247 E CB -0.451 29.224 29.700 -0.042 0.000 0.745 1247 E HN 0.509 nan 8.360 nan 0.000 0.458 1248 A N 0.880 123.680 122.820 -0.034 0.000 1.877 1248 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 1248 A C 2.481 180.046 177.584 -0.032 0.000 1.186 1248 A CA 2.085 54.100 52.037 -0.036 0.000 0.620 1248 A CB -1.124 17.856 19.000 -0.034 0.000 0.822 1248 A HN 0.383 nan 8.150 nan 0.000 0.443 1249 A N -0.296 122.508 122.820 -0.027 0.000 1.892 1249 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 1249 A C 2.216 179.784 177.584 -0.027 0.000 1.188 1249 A CA 2.000 54.020 52.037 -0.027 0.000 0.631 1249 A CB -0.558 18.428 19.000 -0.024 0.000 0.822 1249 A HN 0.536 nan 8.150 nan 0.000 0.447 1250 R N -0.822 119.662 120.500 -0.025 0.000 2.113 1250 R HA -0.167 4.173 4.340 -0.000 0.000 0.244 1250 R C 2.344 178.629 176.300 -0.024 0.000 1.142 1250 R CA 2.097 58.183 56.100 -0.023 0.000 0.953 1250 R CB -0.216 30.070 30.300 -0.023 0.000 0.860 1250 R HN 0.543 nan 8.270 nan 0.000 0.438 1251 R N -0.363 120.120 120.500 -0.028 0.000 2.236 1251 R HA 0.015 4.355 4.340 -0.000 0.000 0.208 1251 R C 1.458 177.742 176.300 -0.027 0.000 1.036 1251 R CA 0.642 56.725 56.100 -0.028 0.000 1.001 1251 R CB 0.159 30.438 30.300 -0.035 0.000 0.896 1251 R HN 0.217 nan 8.270 nan 0.000 0.464 1252 L N 0.268 121.474 121.223 -0.028 0.000 2.607 1252 L HA 0.197 4.537 4.340 -0.000 0.000 0.228 1252 L C 0.441 177.296 176.870 -0.025 0.000 1.123 1252 L CA -0.196 54.628 54.840 -0.026 0.000 0.890 1252 L CB 0.131 42.173 42.059 -0.030 0.000 1.103 1252 L HN 0.059 nan 8.230 nan 0.000 0.468 1253 L N 0.000 121.209 121.223 -0.024 0.000 2.949 1253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1253 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 1253 L CB 0.000 42.046 42.059 -0.021 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502