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 2e48_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MRVVVIGAGV IGLSTALCIH ERYHSVLQPL DIKVYADRFT PLTTTDVAAG DATA SEQUENCE LWQPYLSDPN NPQEADWSQQ TFDYLLSHVH SPNAENLGLF LISGYNLFHE DATA SEQUENCE AIPDPSWKDT VLGFRKLTPR ELDMFPDYGY GWFHTSLILE GKNYLQWLTE DATA SEQUENCE RLTERGVKFF QRKVESFEEV AREGADVIVN CTGVWAGALQ RDPLLQPGRG DATA SEQUENCE QIMKVDAPWM KHFILTHDPE RGIYNSPYII PGTQTVTLGG IFQLGNWSEL DATA SEQUENCE NNIQDHNTIW EGCCRLEPTL KNARIIGERT GFRPVRPQIR LEREQLRTGP DATA SEQUENCE SNTEVIHNYG HGGYGLTIHW GCALEAAKLF GRILEEKKLS 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.331 176.300 0.052 0.000 1.140 1001 M CA 0.000 55.325 55.300 0.042 0.000 0.988 1001 M CB 0.000 32.631 32.600 0.052 0.000 1.302 1002 R N 2.378 122.903 120.500 0.041 0.000 2.288 1002 R HA 0.644 4.983 4.340 -0.001 0.000 0.326 1002 R C -1.373 174.938 176.300 0.019 0.000 0.959 1002 R CA -0.728 55.387 56.100 0.025 0.000 0.834 1002 R CB 1.628 31.935 30.300 0.012 0.000 1.157 1002 R HN 0.398 nan 8.270 nan 0.000 0.470 1003 V N 3.843 123.755 119.914 -0.003 0.000 2.417 1003 V HA 0.349 4.469 4.120 -0.001 0.000 0.291 1003 V C 0.075 176.094 176.094 -0.124 0.000 1.024 1003 V CA -0.880 61.392 62.300 -0.047 0.000 0.861 1003 V CB 1.954 33.719 31.823 -0.096 0.000 0.985 1003 V HN 0.423 nan 8.190 nan 0.000 0.436 1004 V N 5.346 125.163 119.914 -0.162 0.000 2.459 1004 V HA 0.494 4.614 4.120 -0.001 0.000 0.295 1004 V C -0.166 175.785 176.094 -0.239 0.000 1.029 1004 V CA -0.620 61.504 62.300 -0.294 0.000 0.874 1004 V CB 1.934 33.521 31.823 -0.394 0.000 0.985 1004 V HN 0.613 nan 8.190 nan 0.000 0.438 1005 V N 6.280 126.036 119.914 -0.264 0.000 2.398 1005 V HA 0.495 4.615 4.120 -0.001 0.000 0.286 1005 V C -0.166 175.840 176.094 -0.146 0.000 1.026 1005 V CA -0.372 61.820 62.300 -0.179 0.000 0.868 1005 V CB 1.658 33.375 31.823 -0.177 0.000 0.982 1005 V HN 0.687 nan 8.190 nan 0.000 0.443 1006 I N 4.462 124.998 120.570 -0.056 0.000 2.328 1006 I HA 0.783 4.952 4.170 -0.001 0.000 0.287 1006 I C 0.576 176.699 176.117 0.011 0.000 1.012 1006 I CA -0.188 61.119 61.300 0.011 0.000 1.195 1006 I CB 1.417 39.463 38.000 0.077 0.000 1.350 1006 I HN 0.837 nan 8.210 nan 0.000 0.464 1007 G N 4.215 112.998 108.800 -0.029 0.000 2.957 1007 G HA2 0.236 4.195 3.960 -0.001 0.000 0.636 1007 G HA3 0.236 4.195 3.960 -0.001 0.000 0.636 1007 G C -0.493 174.358 174.900 -0.081 0.000 1.401 1007 G CA -0.284 44.794 45.100 -0.036 0.000 0.941 1007 G HN 0.825 nan 8.290 nan 0.000 0.610 1008 A N 1.169 123.901 122.820 -0.147 0.000 2.637 1008 A HA 0.785 5.105 4.320 -0.001 0.000 0.293 1008 A C 1.310 178.893 177.584 -0.000 0.000 1.216 1008 A CA 1.135 53.117 52.037 -0.091 0.000 0.956 1008 A CB -0.045 18.755 19.000 -0.334 0.000 1.174 1008 A HN 1.991 nan 8.150 nan 0.000 0.525 1009 G N -1.445 107.362 108.800 0.012 0.000 2.531 1009 G HA2 0.362 4.321 3.960 -0.001 0.000 0.281 1009 G HA3 0.362 4.321 3.960 -0.001 0.000 0.281 1009 G C 1.083 176.002 174.900 0.032 0.000 1.382 1009 G CA 0.392 45.518 45.100 0.043 0.000 1.045 1009 G HN 0.371 nan 8.290 nan 0.000 0.533 1010 V N -0.176 119.753 119.914 0.025 0.000 2.407 1010 V HA -0.123 3.996 4.120 -0.001 0.000 0.248 1010 V C 2.561 178.659 176.094 0.007 0.000 1.055 1010 V CA 1.471 63.778 62.300 0.011 0.000 1.049 1010 V CB -0.518 31.303 31.823 -0.002 0.000 0.662 1010 V HN 0.508 nan 8.190 nan 0.000 0.455 1011 I N 0.770 121.323 120.570 -0.028 0.000 2.193 1011 I HA -0.034 4.135 4.170 -0.001 0.000 0.240 1011 I C 2.740 178.855 176.117 -0.003 0.000 1.084 1011 I CA 1.704 62.973 61.300 -0.051 0.000 1.365 1011 I CB -2.210 35.714 38.000 -0.127 0.000 1.064 1011 I HN 0.375 nan 8.210 nan 0.000 0.410 1012 G N 1.661 110.465 108.800 0.006 0.000 2.545 1012 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.217 1012 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.217 1012 G C 1.823 176.714 174.900 -0.015 0.000 1.218 1012 G CA 0.780 45.875 45.100 -0.008 0.000 0.787 1012 G HN 0.310 nan 8.290 nan 0.000 0.571 1013 L N 1.271 122.500 121.223 0.011 0.000 2.042 1013 L HA -0.138 4.202 4.340 -0.001 0.000 0.210 1013 L C 3.357 180.251 176.870 0.040 0.000 1.076 1013 L CA 1.737 56.592 54.840 0.026 0.000 0.749 1013 L CB -0.537 41.549 42.059 0.045 0.000 0.893 1013 L HN 0.501 nan 8.230 nan 0.000 0.432 1014 S N -1.560 114.190 115.700 0.084 0.000 2.387 1014 S HA -0.148 4.321 4.470 -0.001 0.000 0.226 1014 S C 1.923 176.579 174.600 0.093 0.000 1.026 1014 S CA 1.448 59.780 58.200 0.220 0.000 0.972 1014 S CB -0.563 62.887 63.200 0.416 0.000 0.814 1014 S HN 0.350 nan 8.310 nan 0.000 0.477 1015 T N 2.760 117.316 114.554 0.003 0.000 2.737 1015 T HA 0.111 4.461 4.350 -0.001 0.000 0.265 1015 T C 2.277 176.917 174.700 -0.099 0.000 1.038 1015 T CA 1.388 63.439 62.100 -0.082 0.000 1.144 1015 T CB -0.963 67.857 68.868 -0.079 0.000 0.866 1015 T HN 0.628 nan 8.240 nan 0.000 0.434 1016 A N 1.423 124.193 122.820 -0.083 0.000 1.892 1016 A HA -0.102 4.218 4.320 -0.001 0.000 0.218 1016 A C 2.260 179.808 177.584 -0.060 0.000 1.188 1016 A CA 1.591 53.566 52.037 -0.104 0.000 0.631 1016 A CB -1.013 17.916 19.000 -0.117 0.000 0.822 1016 A HN 0.388 nan 8.150 nan 0.000 0.447 1017 L N -0.158 121.057 121.223 -0.013 0.000 1.970 1017 L HA -0.228 4.111 4.340 -0.001 0.000 0.212 1017 L C 2.644 179.529 176.870 0.026 0.000 1.071 1017 L CA 2.450 57.310 54.840 0.033 0.000 0.751 1017 L CB -0.909 41.236 42.059 0.144 0.000 0.889 1017 L HN 0.513 nan 8.230 nan 0.000 0.432 1018 C N -0.487 118.785 119.300 -0.048 0.000 2.401 1018 C HA -0.208 4.252 4.460 -0.001 0.000 0.276 1018 C C 2.727 177.660 174.990 -0.096 0.000 1.233 1018 C CA 1.095 60.019 59.018 -0.157 0.000 1.753 1018 C CB -1.034 26.483 27.740 -0.371 0.000 2.029 1018 C HN 0.590 nan 8.230 nan 0.000 0.478 1019 I N -0.555 119.960 120.570 -0.091 0.000 2.179 1019 I HA -0.248 3.922 4.170 -0.001 0.000 0.242 1019 I C 2.786 178.906 176.117 0.006 0.000 1.088 1019 I CA 1.739 62.995 61.300 -0.073 0.000 1.357 1019 I CB -0.714 37.066 38.000 -0.367 0.000 1.051 1019 I HN 0.538 nan 8.210 nan 0.000 0.409 1020 H N 1.791 120.792 119.070 -0.116 0.000 2.276 1020 H HA -0.186 4.369 4.556 -0.001 0.000 0.301 1020 H C 2.088 177.274 175.328 -0.235 0.000 1.073 1020 H CA 2.186 58.159 56.048 -0.125 0.000 1.311 1020 H CB -0.017 29.653 29.762 -0.154 0.000 1.379 1020 H HN 0.497 nan 8.280 nan 0.000 0.494 1021 E N 0.438 120.580 120.200 -0.098 0.000 2.153 1021 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 1021 E C 2.450 178.987 176.600 -0.105 0.000 0.988 1021 E CA 0.798 57.055 56.400 -0.238 0.000 0.811 1021 E CB -0.370 29.307 29.700 -0.038 0.000 0.746 1021 E HN 0.300 nan 8.360 nan 0.000 0.466 1022 R N -0.528 119.869 120.500 -0.172 0.000 2.193 1022 R HA -0.051 4.288 4.340 -0.001 0.000 0.213 1022 R C 0.420 176.363 176.300 -0.596 0.000 1.055 1022 R CA 0.930 56.774 56.100 -0.426 0.000 0.995 1022 R CB 0.217 30.120 30.300 -0.661 0.000 0.893 1022 R HN 0.276 nan 8.270 nan 0.000 0.459 1023 Y N -1.810 118.559 120.300 0.115 0.000 2.672 1023 Y HA 0.118 4.667 4.550 -0.001 0.000 0.252 1023 Y C 1.238 177.189 175.900 0.085 0.000 1.132 1023 Y CA -0.481 57.694 58.100 0.125 0.000 1.228 1023 Y CB -0.029 38.561 38.460 0.216 0.000 1.310 1023 Y HN 0.230 nan 8.280 nan 0.000 0.549 1024 H N -2.222 116.767 119.070 -0.136 0.000 2.389 1024 H HA -0.093 4.463 4.556 -0.001 0.000 0.299 1024 H C 1.974 177.262 175.328 -0.067 0.000 1.081 1024 H CA 1.317 57.225 56.048 -0.234 0.000 1.345 1024 H CB -0.147 29.320 29.762 -0.493 0.000 1.393 1024 H HN 0.160 nan 8.280 nan 0.000 0.520 1025 S N 1.430 116.982 115.700 -0.247 0.000 2.387 1025 S HA -0.137 4.333 4.470 -0.001 0.000 0.226 1025 S C 2.260 176.828 174.600 -0.053 0.000 1.026 1025 S CA 1.010 59.069 58.200 -0.235 0.000 0.972 1025 S CB -0.607 62.433 63.200 -0.266 0.000 0.814 1025 S HN 0.496 nan 8.310 nan 0.000 0.477 1026 V N -1.225 118.713 119.914 0.039 0.000 3.052 1026 V HA 0.401 4.521 4.120 -0.001 0.000 0.254 1026 V C 0.676 176.809 176.094 0.064 0.000 1.100 1026 V CA 0.164 62.507 62.300 0.072 0.000 1.112 1026 V CB -0.872 31.038 31.823 0.145 0.000 0.738 1026 V HN 0.377 nan 8.190 nan 0.000 0.469 1027 L N 1.457 122.727 121.223 0.078 0.000 2.282 1027 L HA 0.413 4.753 4.340 -0.001 0.000 0.288 1027 L C 1.360 178.253 176.870 0.038 0.000 1.033 1027 L CA -0.560 54.314 54.840 0.058 0.000 0.807 1027 L CB 1.845 43.956 42.059 0.086 0.000 1.209 1027 L HN 0.094 nan 8.230 nan 0.000 0.423 1028 Q N 3.246 123.061 119.800 0.025 0.000 1.975 1028 Q HA -0.072 4.268 4.340 -0.001 0.000 0.205 1028 Q C -1.117 174.900 176.000 0.028 0.000 0.990 1028 Q CA 1.496 57.311 55.803 0.020 0.000 0.845 1028 Q CB -1.266 27.480 28.738 0.013 0.000 0.913 1028 Q HN 0.524 nan 8.270 nan 0.000 0.420 1029 P HA 0.239 nan 4.420 nan 0.000 0.198 1029 P C -1.008 176.323 177.300 0.051 0.000 1.881 1029 P CA -0.443 62.681 63.100 0.040 0.000 1.084 1029 P CB -0.100 31.620 31.700 0.032 0.000 1.818 1030 L N 2.101 123.361 121.223 0.061 0.000 2.485 1030 L HA 0.331 4.670 4.340 -0.001 0.000 0.279 1030 L C -0.394 176.521 176.870 0.076 0.000 1.124 1030 L CA 0.490 55.374 54.840 0.074 0.000 0.888 1030 L CB -0.351 41.752 42.059 0.075 0.000 1.217 1030 L HN 0.071 nan 8.230 nan 0.000 0.464 1031 D N 5.566 126.007 120.400 0.068 0.000 2.446 1031 D HA 0.327 4.967 4.640 -0.001 0.000 0.251 1031 D C -0.628 175.698 176.300 0.043 0.000 1.137 1031 D CA -0.213 53.827 54.000 0.068 0.000 0.890 1031 D CB 0.344 41.181 40.800 0.061 0.000 1.071 1031 D HN 0.449 nan 8.370 nan 0.000 0.528 1032 I N 2.709 123.306 120.570 0.045 0.000 2.428 1032 I HA 0.391 4.561 4.170 -0.001 0.000 0.296 1032 I C 0.452 176.546 176.117 -0.038 0.000 0.985 1032 I CA -0.601 60.687 61.300 -0.020 0.000 1.260 1032 I CB 1.333 39.316 38.000 -0.027 0.000 1.389 1032 I HN 0.082 nan 8.210 nan 0.000 0.484 1033 K N 4.063 124.403 120.400 -0.099 0.000 2.469 1033 K HA 0.689 5.008 4.320 -0.001 0.000 0.254 1033 K C -1.580 174.881 176.600 -0.232 0.000 0.939 1033 K CA -0.691 55.551 56.287 -0.074 0.000 0.812 1033 K CB 2.872 35.403 32.500 0.053 0.000 1.301 1033 K HN 0.225 nan 8.250 nan 0.000 0.433 1034 V N 3.336 123.113 119.914 -0.229 0.000 2.409 1034 V HA 0.372 4.492 4.120 -0.001 0.000 0.291 1034 V C -1.280 174.928 176.094 0.190 0.000 1.020 1034 V CA -0.861 61.295 62.300 -0.239 0.000 0.848 1034 V CB 0.687 32.155 31.823 -0.592 0.000 0.990 1034 V HN 0.567 nan 8.190 nan 0.000 0.430 1035 Y N 2.952 123.300 120.300 0.079 0.000 2.331 1035 Y HA 0.828 5.378 4.550 -0.001 0.000 0.338 1035 Y C 0.378 176.269 175.900 -0.014 0.000 0.992 1035 Y CA -1.514 56.661 58.100 0.126 0.000 1.121 1035 Y CB 1.766 40.272 38.460 0.076 0.000 1.184 1035 Y HN 0.735 nan 8.280 nan 0.000 0.469 1036 A N 1.898 124.772 122.820 0.090 0.000 2.520 1036 A HA 0.468 4.788 4.320 -0.001 0.000 0.298 1036 A C 0.093 177.541 177.584 -0.227 0.000 1.051 1036 A CA -0.601 51.258 52.037 -0.295 0.000 0.690 1036 A CB 1.314 19.755 19.000 -0.932 0.000 1.281 1036 A HN 0.659 nan 8.150 nan 0.000 0.402 1037 D N 0.433 120.693 120.400 -0.232 0.000 2.271 1037 D HA 0.074 4.713 4.640 -0.001 0.000 0.206 1037 D C 0.521 176.728 176.300 -0.155 0.000 0.967 1037 D CA 1.142 55.044 54.000 -0.164 0.000 0.867 1037 D CB 0.219 40.883 40.800 -0.227 0.000 0.960 1037 D HN 0.540 nan 8.370 nan 0.000 0.509 1038 R N -0.716 119.628 120.500 -0.259 0.000 2.744 1038 R HA 0.500 4.839 4.340 -0.001 0.000 0.279 1038 R C -1.314 174.838 176.300 -0.246 0.000 0.977 1038 R CA -0.759 55.251 56.100 -0.151 0.000 0.906 1038 R CB 1.613 31.825 30.300 -0.148 0.000 1.197 1038 R HN -0.063 nan 8.270 nan 0.000 0.463 1039 F N -0.504 119.458 119.950 0.019 0.000 2.611 1039 F HA 0.265 4.792 4.527 -0.000 0.000 0.324 1039 F C 1.467 177.283 175.800 0.028 0.000 1.061 1039 F CA -0.431 57.592 58.000 0.039 0.000 0.954 1039 F CB 2.034 41.054 39.000 0.033 0.000 1.301 1039 F HN 0.614 nan 8.300 nan 0.000 0.482 1040 T N 0.590 115.312 114.554 0.280 0.000 2.982 1040 T HA -0.276 4.074 4.350 -0.001 0.000 0.224 1040 T C -1.228 173.533 174.700 0.103 0.000 1.215 1040 T CA 2.626 64.818 62.100 0.153 0.000 1.098 1040 T CB -1.736 67.194 68.868 0.103 0.000 0.804 1040 T HN 0.408 nan 8.240 nan 0.000 0.523 1041 P HA 0.191 nan 4.420 nan 0.000 0.224 1041 P C 0.884 178.225 177.300 0.068 0.000 1.157 1041 P CA 0.743 63.884 63.100 0.068 0.000 0.799 1041 P CB -0.108 31.623 31.700 0.051 0.000 0.809 1042 L N -1.001 120.269 121.223 0.078 0.000 3.062 1042 L HA 0.323 4.663 4.340 -0.001 0.000 0.255 1042 L C 0.533 177.448 176.870 0.075 0.000 1.274 1042 L CA -0.391 54.490 54.840 0.068 0.000 1.047 1042 L CB -0.522 41.571 42.059 0.057 0.000 1.402 1042 L HN -0.088 nan 8.230 nan 0.000 0.550 1043 T N -5.170 109.436 114.554 0.087 0.000 2.936 1043 T HA 0.289 4.639 4.350 -0.001 0.000 0.282 1043 T C 1.367 176.149 174.700 0.138 0.000 1.003 1043 T CA 0.051 62.223 62.100 0.120 0.000 1.005 1043 T CB 1.602 70.529 68.868 0.099 0.000 1.097 1043 T HN 0.215 nan 8.240 nan 0.000 0.532 1044 T N -0.362 114.312 114.554 0.200 0.000 2.720 1044 T HA -0.142 4.208 4.350 -0.001 0.000 0.268 1044 T C 1.985 176.717 174.700 0.054 0.000 1.037 1044 T CA 1.791 63.961 62.100 0.117 0.000 1.144 1044 T CB -1.463 67.471 68.868 0.110 0.000 0.864 1044 T HN 0.736 nan 8.240 nan 0.000 0.444 1045 T N 2.064 116.658 114.554 0.068 0.000 2.918 1045 T HA -0.117 4.233 4.350 -0.001 0.000 0.271 1045 T C 1.301 176.032 174.700 0.052 0.000 1.104 1045 T CA 1.306 63.434 62.100 0.047 0.000 1.114 1045 T CB -0.412 68.491 68.868 0.059 0.000 0.855 1045 T HN 0.469 nan 8.240 nan 0.000 0.518 1046 D N 0.279 120.714 120.400 0.058 0.000 2.348 1046 D HA 0.086 4.725 4.640 -0.001 0.000 0.211 1046 D C 1.655 177.979 176.300 0.040 0.000 0.998 1046 D CA 0.317 54.350 54.000 0.056 0.000 0.873 1046 D CB 0.382 41.219 40.800 0.062 0.000 0.925 1046 D HN 0.297 nan 8.370 nan 0.000 0.524 1047 V N 0.686 120.614 119.914 0.024 0.000 3.650 1047 V HA 0.187 4.306 4.120 -0.001 0.000 0.271 1047 V C 1.018 177.116 176.094 0.007 0.000 1.281 1047 V CA 0.005 62.311 62.300 0.009 0.000 1.120 1047 V CB 0.041 31.850 31.823 -0.023 0.000 0.856 1047 V HN 0.058 nan 8.190 nan 0.000 0.443 1048 A N 0.621 123.441 122.820 0.001 0.000 2.396 1048 A HA 0.620 4.939 4.320 -0.001 0.000 0.279 1048 A C 1.679 179.263 177.584 0.000 0.000 1.165 1048 A CA 0.492 52.519 52.037 -0.017 0.000 0.824 1048 A CB 0.475 19.457 19.000 -0.031 0.000 1.100 1048 A HN 0.477 nan 8.150 nan 0.000 0.516 1049 A N 2.723 125.545 122.820 0.003 0.000 1.958 1049 A HA 0.195 4.514 4.320 -0.001 0.000 0.221 1049 A C 2.056 179.634 177.584 -0.011 0.000 1.178 1049 A CA 2.121 54.169 52.037 0.019 0.000 0.642 1049 A CB -0.803 18.210 19.000 0.021 0.000 0.816 1049 A HN 2.614 nan 8.150 nan 0.000 0.453 1050 G N -2.843 105.926 108.800 -0.051 0.000 2.159 1050 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.227 1050 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.227 1050 G C 0.075 174.915 174.900 -0.099 0.000 0.986 1050 G CA 0.173 45.233 45.100 -0.067 0.000 0.651 1050 G HN 1.196 nan 8.290 nan 0.000 0.523 1051 L N 1.030 122.175 121.223 -0.130 0.000 2.477 1051 L HA 0.570 4.910 4.340 -0.001 0.000 0.272 1051 L C 0.613 177.418 176.870 -0.109 0.000 1.157 1051 L CA -1.136 53.604 54.840 -0.167 0.000 0.889 1051 L CB 0.032 41.915 42.059 -0.292 0.000 1.158 1051 L HN 0.231 nan 8.230 nan 0.000 0.473 1052 W N 7.597 128.782 121.300 -0.192 0.000 2.565 1052 W HA 0.360 5.020 4.660 -0.000 0.000 0.325 1052 W C -0.105 176.258 176.519 -0.261 0.000 1.408 1052 W CA 0.123 57.385 57.345 -0.137 0.000 1.350 1052 W CB 0.023 29.493 29.460 0.017 0.000 1.426 1052 W HN 0.686 nan 8.180 nan 0.000 0.538 1053 Q N 7.321 126.719 119.800 -0.670 0.000 2.638 1053 Q HA 0.154 4.494 4.340 -0.001 0.000 0.227 1053 Q C -2.580 172.869 176.000 -0.919 0.000 0.842 1053 Q CA -1.262 53.997 55.803 -0.907 0.000 1.095 1053 Q CB 1.461 29.896 28.738 -0.504 0.000 1.595 1053 Q HN 0.169 nan 8.270 nan 0.000 0.511 1054 P HA 0.170 nan 4.420 nan 0.000 0.302 1054 P C -0.719 176.379 177.300 -0.338 0.000 1.301 1054 P CA -0.237 62.374 63.100 -0.814 0.000 0.745 1054 P CB 0.339 31.560 31.700 -0.798 0.000 1.331 1055 Y N -1.295 118.910 120.300 -0.159 0.000 2.223 1055 Y HA 0.046 4.596 4.550 -0.000 0.000 0.352 1055 Y C 1.941 178.016 175.900 0.292 0.000 1.293 1055 Y CA 0.079 58.194 58.100 0.024 0.000 1.601 1055 Y CB -0.882 37.552 38.460 -0.044 0.000 1.407 1055 Y HN 0.107 nan 8.280 nan 0.000 0.639 1056 L N -0.205 121.276 121.223 0.430 0.000 2.145 1056 L HA 0.063 4.402 4.340 -0.001 0.000 0.201 1056 L C 0.821 177.782 176.870 0.152 0.000 1.075 1056 L CA 0.621 55.681 54.840 0.367 0.000 0.773 1056 L CB -0.708 41.566 42.059 0.358 0.000 0.936 1056 L HN 0.507 nan 8.230 nan 0.000 0.451 1057 S N 0.137 115.902 115.700 0.109 0.000 2.523 1057 S HA 0.175 4.644 4.470 -0.001 0.000 0.275 1057 S C -0.370 174.260 174.600 0.050 0.000 1.281 1057 S CA -0.985 57.235 58.200 0.033 0.000 1.050 1057 S CB 0.582 63.779 63.200 -0.004 0.000 0.937 1057 S HN 0.059 nan 8.310 nan 0.000 0.492 1058 D N 4.507 124.909 120.400 0.003 0.000 2.601 1058 D HA 0.146 4.786 4.640 -0.001 0.000 0.229 1058 D C -1.077 175.236 176.300 0.021 0.000 1.140 1058 D CA -0.397 53.602 54.000 -0.001 0.000 0.862 1058 D CB -0.020 40.757 40.800 -0.038 0.000 1.192 1058 D HN 0.489 nan 8.370 nan 0.000 0.480 1059 P HA 0.125 nan 4.420 nan 0.000 0.318 1059 P C 0.499 177.807 177.300 0.013 0.000 1.309 1059 P CA -0.499 62.629 63.100 0.047 0.000 0.736 1059 P CB 1.041 32.742 31.700 0.002 0.000 1.440 1060 N N -0.371 118.343 118.700 0.024 0.000 2.173 1060 N HA -0.069 4.670 4.740 -0.001 0.000 0.195 1060 N C 0.663 176.148 175.510 -0.042 0.000 1.049 1060 N CA 0.384 53.434 53.050 0.000 0.000 0.977 1060 N CB -1.371 37.129 38.487 0.022 0.000 1.163 1060 N HN 0.410 nan 8.380 nan 0.000 0.505 1061 N N 3.319 121.985 118.700 -0.057 0.000 2.202 1061 N HA -0.073 4.667 4.740 -0.001 0.000 0.283 1061 N C -1.762 173.633 175.510 -0.192 0.000 1.391 1061 N CA -0.563 52.412 53.050 -0.126 0.000 0.910 1061 N CB 0.476 38.875 38.487 -0.146 0.000 1.267 1061 N HN 0.247 nan 8.380 nan 0.000 0.493 1062 P HA -0.177 nan 4.420 nan 0.000 0.228 1062 P C 0.979 178.115 177.300 -0.273 0.000 1.151 1062 P CA 0.911 63.907 63.100 -0.173 0.000 0.770 1062 P CB 0.290 31.916 31.700 -0.124 0.000 0.786 1063 Q N 0.452 120.015 119.800 -0.394 0.000 2.226 1063 Q HA -0.177 4.162 4.340 -0.001 0.000 0.204 1063 Q C 2.084 177.395 176.000 -1.150 0.000 0.975 1063 Q CA 1.202 56.595 55.803 -0.683 0.000 0.866 1063 Q CB -0.180 28.138 28.738 -0.700 0.000 0.915 1063 Q HN 0.312 nan 8.270 nan 0.000 0.440 1064 E N -0.081 119.598 120.200 -0.869 0.000 2.038 1064 E HA -0.243 4.106 4.350 -0.001 0.000 0.195 1064 E C 1.923 178.383 176.600 -0.233 0.000 1.000 1064 E CA 1.093 57.188 56.400 -0.509 0.000 0.803 1064 E CB -0.199 29.402 29.700 -0.165 0.000 0.750 1064 E HN 0.480 nan 8.360 nan 0.000 0.448 1065 A N 1.734 124.436 122.820 -0.197 0.000 1.986 1065 A HA -0.264 4.056 4.320 -0.001 0.000 0.220 1065 A C 1.683 179.251 177.584 -0.027 0.000 1.171 1065 A CA 2.006 53.993 52.037 -0.083 0.000 0.640 1065 A CB -0.493 18.464 19.000 -0.072 0.000 0.811 1065 A HN 0.176 nan 8.150 nan 0.000 0.451 1066 D N -1.200 119.127 120.400 -0.122 0.000 2.144 1066 D HA -0.149 4.491 4.640 -0.001 0.000 0.200 1066 D C 1.711 178.100 176.300 0.149 0.000 0.978 1066 D CA 0.910 54.891 54.000 -0.032 0.000 0.833 1066 D CB -0.303 40.423 40.800 -0.123 0.000 0.961 1066 D HN 0.704 nan 8.370 nan 0.000 0.470 1067 W N 1.449 122.798 121.300 0.081 0.000 2.381 1067 W HA 0.010 4.670 4.660 -0.000 0.000 0.301 1067 W C 2.601 179.215 176.519 0.158 0.000 1.205 1067 W CA 0.237 57.641 57.345 0.098 0.000 1.285 1067 W CB -1.338 28.172 29.460 0.084 0.000 1.133 1067 W HN -0.080 nan 8.180 nan 0.000 0.521 1068 S N 0.228 116.148 115.700 0.366 0.000 2.383 1068 S HA -0.265 4.204 4.470 -0.001 0.000 0.229 1068 S C 1.744 176.701 174.600 0.594 0.000 1.030 1068 S CA 1.926 60.352 58.200 0.377 0.000 1.002 1068 S CB -0.397 62.865 63.200 0.103 0.000 0.829 1068 S HN 0.244 nan 8.310 nan 0.000 0.467 1069 Q N 1.460 121.508 119.800 0.414 0.000 2.030 1069 Q HA -0.177 4.163 4.340 -0.001 0.000 0.204 1069 Q C 2.103 178.301 176.000 0.330 0.000 0.986 1069 Q CA 1.867 57.870 55.803 0.335 0.000 0.843 1069 Q CB -0.416 28.445 28.738 0.206 0.000 0.904 1069 Q HN 0.555 nan 8.270 nan 0.000 0.420 1070 Q N -0.933 119.058 119.800 0.318 0.000 2.061 1070 Q HA -0.164 4.176 4.340 -0.001 0.000 0.204 1070 Q C 2.162 178.391 176.000 0.381 0.000 0.984 1070 Q CA 2.198 58.192 55.803 0.318 0.000 0.846 1070 Q CB -0.311 28.603 28.738 0.293 0.000 0.902 1070 Q HN 0.422 nan 8.270 nan 0.000 0.421 1071 T N 0.475 115.274 114.554 0.407 0.000 2.665 1071 T HA -0.201 4.149 4.350 -0.001 0.000 0.268 1071 T C 1.349 176.214 174.700 0.275 0.000 1.035 1071 T CA 1.416 63.744 62.100 0.381 0.000 1.151 1071 T CB -0.443 68.639 68.868 0.357 0.000 0.862 1071 T HN 0.265 nan 8.240 nan 0.000 0.438 1072 F N 2.192 122.216 119.950 0.124 0.000 2.186 1072 F HA -0.105 4.422 4.527 -0.000 0.000 0.299 1072 F C 1.872 177.541 175.800 -0.218 0.000 1.090 1072 F CA 1.227 59.022 58.000 -0.341 0.000 1.307 1072 F CB -0.142 38.354 39.000 -0.840 0.000 1.019 1072 F HN 0.105 nan 8.300 nan 0.000 0.489 1073 D N -1.130 119.307 120.400 0.062 0.000 2.194 1073 D HA -0.195 4.444 4.640 -0.001 0.000 0.204 1073 D C 1.913 178.206 176.300 -0.012 0.000 0.964 1073 D CA 1.035 55.044 54.000 0.014 0.000 0.846 1073 D CB -0.948 39.928 40.800 0.127 0.000 0.962 1073 D HN 0.390 nan 8.370 nan 0.000 0.490 1074 Y N 1.810 122.066 120.300 -0.072 0.000 2.145 1074 Y HA -0.147 4.403 4.550 -0.001 0.000 0.286 1074 Y C 2.096 177.843 175.900 -0.255 0.000 1.145 1074 Y CA 1.306 59.319 58.100 -0.144 0.000 1.148 1074 Y CB -0.471 37.824 38.460 -0.275 0.000 0.981 1074 Y HN -0.125 nan 8.280 nan 0.000 0.507 1075 L N -0.905 120.035 121.223 -0.472 0.000 2.023 1075 L HA -0.175 4.165 4.340 -0.001 0.000 0.205 1075 L C 2.432 178.994 176.870 -0.514 0.000 1.073 1075 L CA 1.063 55.540 54.840 -0.604 0.000 0.745 1075 L CB -0.869 40.898 42.059 -0.487 0.000 0.900 1075 L HN 0.291 nan 8.230 nan 0.000 0.435 1076 L N 0.370 121.231 121.223 -0.604 0.000 2.089 1076 L HA -0.255 4.084 4.340 -0.001 0.000 0.213 1076 L C 2.671 179.356 176.870 -0.308 0.000 1.079 1076 L CA 2.248 56.783 54.840 -0.510 0.000 0.758 1076 L CB -0.648 41.059 42.059 -0.587 0.000 0.891 1076 L HN 0.402 nan 8.230 nan 0.000 0.433 1077 S N -2.852 112.708 115.700 -0.233 0.000 2.515 1077 S HA -0.112 4.358 4.470 -0.001 0.000 0.231 1077 S C 1.286 175.719 174.600 -0.278 0.000 0.987 1077 S CA 0.981 59.074 58.200 -0.179 0.000 0.936 1077 S CB -0.640 62.513 63.200 -0.077 0.000 0.766 1077 S HN 0.679 nan 8.310 nan 0.000 0.528 1078 H N -0.852 118.012 119.070 -0.343 0.000 3.058 1078 H HA 0.417 4.973 4.556 -0.001 0.000 0.266 1078 H C 1.523 176.720 175.328 -0.217 0.000 1.135 1078 H CA -0.057 55.811 56.048 -0.300 0.000 1.174 1078 H CB 0.386 29.876 29.762 -0.454 0.000 1.581 1078 H HN 0.238 nan 8.280 nan 0.000 0.553 1079 V N 0.390 120.243 119.914 -0.102 0.000 2.660 1079 V HA -0.259 3.860 4.120 -0.001 0.000 0.257 1079 V C 0.907 177.120 176.094 0.198 0.000 1.088 1079 V CA 2.072 64.366 62.300 -0.011 0.000 1.106 1079 V CB -0.182 31.609 31.823 -0.054 0.000 0.686 1079 V HN 0.526 nan 8.190 nan 0.000 0.481 1080 H N -1.083 117.922 119.070 -0.109 0.000 2.592 1080 H HA 0.422 4.978 4.556 -0.001 0.000 0.279 1080 H C 1.029 176.306 175.328 -0.084 0.000 1.089 1080 H CA 0.192 56.190 56.048 -0.083 0.000 1.150 1080 H CB 0.221 29.936 29.762 -0.078 0.000 1.575 1080 H HN 0.407 nan 8.280 nan 0.000 0.547 1081 S N 1.566 117.268 115.700 0.003 0.000 2.584 1081 S HA 0.054 4.524 4.470 -0.001 0.000 0.270 1081 S C -0.923 173.666 174.600 -0.018 0.000 1.346 1081 S CA -1.122 57.061 58.200 -0.028 0.000 1.018 1081 S CB 0.832 64.015 63.200 -0.030 0.000 0.899 1081 S HN 0.174 nan 8.310 nan 0.000 0.542 1082 P HA -0.077 nan 4.420 nan 0.000 0.222 1082 P C 0.042 177.348 177.300 0.011 0.000 1.147 1082 P CA 1.176 64.278 63.100 0.002 0.000 0.790 1082 P CB -0.452 31.259 31.700 0.020 0.000 0.780 1083 N N -1.076 117.636 118.700 0.020 0.000 2.214 1083 N HA 0.293 5.033 4.740 -0.001 0.000 0.214 1083 N C 1.446 176.902 175.510 -0.089 0.000 1.132 1083 N CA 0.136 53.200 53.050 0.023 0.000 0.856 1083 N CB -0.452 38.118 38.487 0.138 0.000 1.020 1083 N HN -0.079 nan 8.380 nan 0.000 0.509 1084 A N 0.872 123.640 122.820 -0.086 0.000 2.024 1084 A HA -0.213 4.107 4.320 -0.001 0.000 0.220 1084 A C 2.109 179.639 177.584 -0.090 0.000 1.164 1084 A CA 1.384 53.350 52.037 -0.118 0.000 0.643 1084 A CB -0.429 18.532 19.000 -0.065 0.000 0.806 1084 A HN 0.507 nan 8.150 nan 0.000 0.451 1085 E N -0.284 119.885 120.200 -0.050 0.000 2.122 1085 E HA -0.127 4.222 4.350 -0.001 0.000 0.190 1085 E C 1.363 177.963 176.600 -0.001 0.000 0.977 1085 E CA 0.700 57.089 56.400 -0.018 0.000 0.820 1085 E CB -0.087 29.603 29.700 -0.016 0.000 0.770 1085 E HN 0.587 nan 8.360 nan 0.000 0.462 1086 N N 0.886 119.589 118.700 0.006 0.000 2.188 1086 N HA -0.135 4.604 4.740 -0.001 0.000 0.184 1086 N C 1.909 177.436 175.510 0.029 0.000 1.018 1086 N CA 0.594 53.691 53.050 0.079 0.000 0.858 1086 N CB -0.228 38.392 38.487 0.223 0.000 0.989 1086 N HN 0.147 nan 8.380 nan 0.000 0.426 1087 L N 0.412 121.498 121.223 -0.228 0.000 2.191 1087 L HA -0.021 4.319 4.340 -0.001 0.000 0.212 1087 L C 1.193 178.060 176.870 -0.005 0.000 1.103 1087 L CA 1.284 55.963 54.840 -0.268 0.000 0.769 1087 L CB -0.598 41.145 42.059 -0.527 0.000 0.908 1087 L HN 0.378 nan 8.230 nan 0.000 0.438 1088 G N -0.352 108.451 108.800 0.004 0.000 2.182 1088 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.248 1088 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.248 1088 G C 0.026 174.979 174.900 0.089 0.000 1.042 1088 G CA 0.145 45.293 45.100 0.080 0.000 0.775 1088 G HN 0.217 nan 8.290 nan 0.000 0.501 1089 L N 0.357 121.596 121.223 0.026 0.000 2.307 1089 L HA 0.893 5.233 4.340 -0.001 0.000 0.284 1089 L C 0.225 177.167 176.870 0.120 0.000 1.023 1089 L CA -1.096 53.707 54.840 -0.062 0.000 0.810 1089 L CB 0.971 42.917 42.059 -0.188 0.000 1.231 1089 L HN 0.419 nan 8.230 nan 0.000 0.423 1090 F N 2.870 122.766 119.950 -0.089 0.000 2.773 1090 F HA 0.494 5.021 4.527 -0.000 0.000 0.314 1090 F C -1.921 173.860 175.800 -0.031 0.000 1.160 1090 F CA -1.212 56.756 58.000 -0.053 0.000 0.920 1090 F CB 0.957 39.936 39.000 -0.035 0.000 1.323 1090 F HN 0.128 nan 8.300 nan 0.000 0.457 1091 L N 2.642 123.961 121.223 0.159 0.000 2.350 1091 L HA 0.641 4.980 4.340 -0.001 0.000 0.275 1091 L C -0.692 176.298 176.870 0.201 0.000 1.099 1091 L CA -0.877 54.019 54.840 0.093 0.000 0.808 1091 L CB 1.673 43.803 42.059 0.119 0.000 1.149 1091 L HN 0.767 nan 8.230 nan 0.000 0.442 1092 I N 1.742 122.392 120.570 0.133 0.000 2.651 1092 I HA 0.194 4.364 4.170 -0.001 0.000 0.287 1092 I C -0.540 175.665 176.117 0.147 0.000 1.244 1092 I CA 0.064 61.481 61.300 0.196 0.000 1.061 1092 I CB 1.750 39.908 38.000 0.263 0.000 1.286 1092 I HN 0.518 nan 8.210 nan 0.000 0.434 1093 S N 4.246 119.952 115.700 0.010 0.000 2.652 1093 S HA 0.956 5.425 4.470 -0.001 0.000 0.270 1093 S C 0.109 174.176 174.600 -0.889 0.000 1.243 1093 S CA -0.010 58.007 58.200 -0.304 0.000 0.999 1093 S CB 1.652 64.791 63.200 -0.102 0.000 0.973 1093 S HN 0.945 nan 8.310 nan 0.000 0.544 1094 G N 0.040 107.721 108.800 -1.865 0.000 2.349 1094 G HA2 0.491 4.451 3.960 -0.001 0.000 0.294 1094 G HA3 0.491 4.451 3.960 -0.001 0.000 0.294 1094 G C -2.245 171.575 174.900 -1.800 0.000 1.380 1094 G CA -0.800 42.934 45.100 -2.276 0.000 0.811 1094 G HN 0.470 nan 8.290 nan 0.000 0.519 1095 Y N 0.059 119.913 120.300 -0.742 0.000 2.488 1095 Y HA 0.658 5.207 4.550 -0.001 0.000 0.325 1095 Y C 0.669 176.601 175.900 0.053 0.000 1.204 1095 Y CA -0.955 57.028 58.100 -0.195 0.000 1.229 1095 Y CB 1.649 40.001 38.460 -0.180 0.000 1.274 1095 Y HN 0.301 nan 8.280 nan 0.000 0.493 1096 N N 1.709 120.545 118.700 0.226 0.000 2.430 1096 N HA 0.431 5.171 4.740 -0.001 0.000 0.290 1096 N C -1.926 173.442 175.510 -0.237 0.000 1.063 1096 N CA -0.439 52.659 53.050 0.080 0.000 0.883 1096 N CB 1.781 40.462 38.487 0.324 0.000 1.465 1096 N HN 0.514 nan 8.380 nan 0.000 0.493 1097 L N 2.922 123.841 121.223 -0.506 0.000 2.313 1097 L HA 0.620 4.960 4.340 -0.001 0.000 0.283 1097 L C -0.802 175.745 176.870 -0.537 0.000 1.013 1097 L CA -0.641 53.855 54.840 -0.574 0.000 0.816 1097 L CB 0.820 42.224 42.059 -1.092 0.000 1.236 1097 L HN 0.316 nan 8.230 nan 0.000 0.419 1098 F N 0.485 120.408 119.950 -0.044 0.000 2.579 1098 F HA 0.453 4.980 4.527 -0.001 0.000 0.324 1098 F C 1.294 177.166 175.800 0.120 0.000 1.058 1098 F CA -0.671 57.362 58.000 0.056 0.000 0.944 1098 F CB 1.393 40.388 39.000 -0.008 0.000 1.245 1098 F HN 0.406 nan 8.300 nan 0.000 0.477 1099 H N -0.149 119.152 119.070 0.386 0.000 2.294 1099 H HA 0.115 4.670 4.556 -0.001 0.000 0.306 1099 H C 0.097 175.547 175.328 0.204 0.000 1.065 1099 H CA 1.099 57.265 56.048 0.197 0.000 1.343 1099 H CB 0.389 30.195 29.762 0.072 0.000 1.396 1099 H HN 0.441 nan 8.280 nan 0.000 0.506 1100 E N 0.326 120.713 120.200 0.312 0.000 2.243 1100 E HA 0.497 4.847 4.350 -0.001 0.000 0.260 1100 E C -0.128 176.521 176.600 0.080 0.000 0.985 1100 E CA -0.898 55.594 56.400 0.154 0.000 0.858 1100 E CB 1.582 31.328 29.700 0.077 0.000 1.210 1100 E HN 0.199 nan 8.360 nan 0.000 0.411 1101 A N 0.901 123.606 122.820 -0.192 0.000 2.483 1101 A HA 0.370 4.689 4.320 -0.001 0.000 0.238 1101 A C -0.230 177.173 177.584 -0.301 0.000 1.070 1101 A CA 0.253 51.900 52.037 -0.650 0.000 0.770 1101 A CB 0.015 18.627 19.000 -0.646 0.000 1.008 1101 A HN 0.394 nan 8.150 nan 0.000 0.497 1102 I N 1.540 121.959 120.570 -0.253 0.000 2.785 1102 I HA 0.402 4.572 4.170 -0.001 0.000 0.293 1102 I C -2.370 173.753 176.117 0.010 0.000 1.446 1102 I CA -1.405 59.831 61.300 -0.107 0.000 1.028 1102 I CB 2.387 40.244 38.000 -0.238 0.000 1.349 1102 I HN 0.560 nan 8.210 nan 0.000 0.438 1103 P HA 0.193 nan 4.420 nan 0.000 0.268 1103 P C -0.931 176.376 177.300 0.011 0.000 1.205 1103 P CA -0.128 62.969 63.100 -0.005 0.000 0.771 1103 P CB 0.331 32.000 31.700 -0.052 0.000 0.858 1104 D N 3.139 123.502 120.400 -0.063 0.000 2.406 1104 D HA 0.054 4.694 4.640 -0.001 0.000 0.234 1104 D C -1.692 174.220 176.300 -0.647 0.000 1.196 1104 D CA -0.393 53.380 54.000 -0.379 0.000 0.881 1104 D CB -0.627 39.932 40.800 -0.403 0.000 1.205 1104 D HN 0.351 nan 8.370 nan 0.000 0.453 1105 P HA 0.028 nan 4.420 nan 0.000 0.274 1105 P C 0.497 177.171 177.300 -1.043 0.000 1.237 1105 P CA -0.306 62.010 63.100 -1.307 0.000 0.793 1105 P CB 0.930 31.049 31.700 -2.634 0.000 0.977 1106 S N 1.324 116.599 115.700 -0.708 0.000 2.368 1106 S HA -0.135 4.334 4.470 -0.001 0.000 0.225 1106 S C 1.718 176.089 174.600 -0.383 0.000 1.030 1106 S CA 0.704 58.656 58.200 -0.414 0.000 0.999 1106 S CB -1.331 61.753 63.200 -0.194 0.000 0.844 1106 S HN 0.703 nan 8.310 nan 0.000 0.459 1107 W N 3.553 124.682 121.300 -0.285 0.000 2.825 1107 W HA 0.089 4.748 4.660 -0.001 0.000 0.243 1107 W C 1.547 177.820 176.519 -0.410 0.000 1.293 1107 W CA 0.529 57.722 57.345 -0.253 0.000 1.403 1107 W CB -0.811 28.579 29.460 -0.117 0.000 1.134 1107 W HN 0.546 nan 8.180 nan 0.000 0.666 1108 K N 1.328 121.232 120.400 -0.827 0.000 2.184 1108 K HA -0.290 4.030 4.320 -0.001 0.000 0.210 1108 K C 0.936 177.261 176.600 -0.459 0.000 1.048 1108 K CA 2.424 58.063 56.287 -1.081 0.000 0.931 1108 K CB -0.811 30.838 32.500 -1.419 0.000 0.718 1108 K HN 0.093 nan 8.250 nan 0.000 0.465 1109 D N -0.120 120.122 120.400 -0.263 0.000 2.369 1109 D HA 0.054 4.694 4.640 -0.001 0.000 0.211 1109 D C 0.828 177.063 176.300 -0.108 0.000 1.077 1109 D CA 0.477 54.401 54.000 -0.127 0.000 0.842 1109 D CB 0.635 41.377 40.800 -0.097 0.000 0.947 1109 D HN 0.373 nan 8.370 nan 0.000 0.509 1110 T N 0.521 114.983 114.554 -0.154 0.000 2.852 1110 T HA -0.017 4.333 4.350 -0.001 0.000 0.256 1110 T C 1.493 175.805 174.700 -0.645 0.000 1.038 1110 T CA 0.291 62.203 62.100 -0.315 0.000 1.141 1110 T CB -0.006 68.678 68.868 -0.308 0.000 0.869 1110 T HN 0.066 nan 8.240 nan 0.000 0.439 1111 V N 0.888 120.466 119.914 -0.559 0.000 3.566 1111 V HA 0.312 4.432 4.120 -0.001 0.000 0.301 1111 V C -0.007 176.063 176.094 -0.040 0.000 1.105 1111 V CA -1.030 61.026 62.300 -0.408 0.000 1.142 1111 V CB -0.174 31.624 31.823 -0.042 0.000 1.107 1111 V HN 0.057 nan 8.190 nan 0.000 0.481 1112 L N 2.484 123.796 121.223 0.148 0.000 2.307 1112 L HA 0.682 5.021 4.340 -0.001 0.000 0.282 1112 L C 1.308 178.312 176.870 0.224 0.000 1.051 1112 L CA 0.845 55.791 54.840 0.176 0.000 0.804 1112 L CB 0.108 42.281 42.059 0.189 0.000 1.197 1112 L HN 1.236 nan 8.230 nan 0.000 0.431 1113 G N 3.025 111.931 108.800 0.177 0.000 2.422 1113 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.301 1113 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.301 1113 G C 0.272 175.310 174.900 0.230 0.000 0.981 1113 G CA 0.431 45.637 45.100 0.176 0.000 0.994 1113 G HN 0.592 nan 8.290 nan 0.000 0.514 1114 F N 1.068 121.083 119.950 0.108 0.000 2.629 1114 F HA 0.460 4.987 4.527 -0.000 0.000 0.369 1114 F C 1.017 176.861 175.800 0.074 0.000 1.125 1114 F CA 0.623 58.673 58.000 0.084 0.000 1.330 1114 F CB 0.527 39.462 39.000 -0.109 0.000 1.071 1114 F HN 0.708 nan 8.300 nan 0.000 0.595 1115 R N 2.730 122.615 120.500 -1.026 0.000 2.780 1115 R HA 0.476 4.815 4.340 -0.001 0.000 0.280 1115 R C -1.956 173.996 176.300 -0.581 0.000 1.016 1115 R CA -1.500 54.151 56.100 -0.748 0.000 0.854 1115 R CB 0.605 30.761 30.300 -0.241 0.000 1.293 1115 R HN 0.391 nan 8.270 nan 0.000 0.483 1116 K N 1.052 121.292 120.400 -0.267 0.000 2.143 1116 K HA 0.397 4.716 4.320 -0.001 0.000 0.272 1116 K C -0.304 176.306 176.600 0.016 0.000 1.001 1116 K CA -0.576 55.686 56.287 -0.041 0.000 0.915 1116 K CB 0.829 33.400 32.500 0.118 0.000 1.047 1116 K HN 0.381 nan 8.250 nan 0.000 0.458 1117 L N 2.518 123.779 121.223 0.064 0.000 2.540 1117 L HA 0.024 4.363 4.340 -0.001 0.000 0.276 1117 L C 0.764 177.690 176.870 0.093 0.000 1.212 1117 L CA -0.036 54.870 54.840 0.110 0.000 0.893 1117 L CB -0.126 42.047 42.059 0.190 0.000 1.138 1117 L HN 0.772 nan 8.230 nan 0.000 0.491 1118 T N 0.258 114.846 114.554 0.057 0.000 2.897 1118 T HA 0.229 4.578 4.350 -0.001 0.000 0.294 1118 T C -1.526 173.215 174.700 0.068 0.000 1.004 1118 T CA -1.869 60.260 62.100 0.048 0.000 1.106 1118 T CB 1.407 70.276 68.868 0.002 0.000 0.949 1118 T HN 0.388 nan 8.240 nan 0.000 0.520 1119 P HA -0.244 nan 4.420 nan 0.000 0.219 1119 P C 1.477 178.809 177.300 0.054 0.000 1.158 1119 P CA 1.495 64.638 63.100 0.073 0.000 0.895 1119 P CB 0.038 31.771 31.700 0.055 0.000 0.792 1120 R N -0.078 120.439 120.500 0.028 0.000 2.083 1120 R HA -0.166 4.174 4.340 -0.001 0.000 0.237 1120 R C 2.474 178.769 176.300 -0.009 0.000 1.137 1120 R CA 1.676 57.778 56.100 0.002 0.000 0.951 1120 R CB -0.703 29.591 30.300 -0.010 0.000 0.851 1120 R HN 0.371 nan 8.270 nan 0.000 0.434 1121 E N 0.641 120.856 120.200 0.025 0.000 2.085 1121 E HA -0.201 4.149 4.350 -0.001 0.000 0.194 1121 E C 1.948 178.591 176.600 0.072 0.000 0.994 1121 E CA 1.193 57.632 56.400 0.064 0.000 0.801 1121 E CB -0.166 29.645 29.700 0.186 0.000 0.743 1121 E HN 0.287 nan 8.360 nan 0.000 0.453 1122 L N 1.198 122.503 121.223 0.137 0.000 2.275 1122 L HA -0.154 4.185 4.340 -0.001 0.000 0.215 1122 L C 1.566 178.499 176.870 0.105 0.000 1.119 1122 L CA 0.605 55.563 54.840 0.196 0.000 0.790 1122 L CB -0.172 42.004 42.059 0.194 0.000 0.919 1122 L HN 0.053 nan 8.230 nan 0.000 0.443 1123 D N -0.281 120.128 120.400 0.015 0.000 2.312 1123 D HA -0.106 4.534 4.640 -0.001 0.000 0.211 1123 D C 2.251 178.476 176.300 -0.126 0.000 0.964 1123 D CA 0.953 54.937 54.000 -0.026 0.000 0.877 1123 D CB 0.038 40.823 40.800 -0.025 0.000 0.924 1123 D HN 0.398 nan 8.370 nan 0.000 0.515 1124 M N -0.364 119.060 119.600 -0.295 0.000 2.229 1124 M HA -0.063 4.417 4.480 -0.001 0.000 0.264 1124 M C 0.043 175.919 176.300 -0.707 0.000 1.063 1124 M CA 0.966 55.901 55.300 -0.607 0.000 1.114 1124 M CB -0.035 31.962 32.600 -1.005 0.000 1.387 1124 M HN -0.133 nan 8.290 nan 0.000 0.420 1125 F N 0.504 120.434 119.950 -0.034 0.000 2.359 1125 F HA 0.324 4.850 4.527 -0.000 0.000 0.370 1125 F C -1.656 174.195 175.800 0.086 0.000 1.077 1125 F CA -2.711 55.300 58.000 0.019 0.000 1.136 1125 F CB -0.166 38.831 39.000 -0.005 0.000 1.387 1125 F HN -0.121 nan 8.300 nan 0.000 0.468 1126 P HA -0.166 nan 4.420 nan 0.000 0.218 1126 P C 0.670 178.048 177.300 0.130 0.000 1.148 1126 P CA 1.394 64.567 63.100 0.120 0.000 0.822 1126 P CB 0.436 32.177 31.700 0.068 0.000 0.784 1127 D N -1.873 118.620 120.400 0.155 0.000 2.371 1127 D HA -0.021 4.618 4.640 -0.001 0.000 0.221 1127 D C 0.029 176.160 176.300 -0.282 0.000 0.986 1127 D CA 0.805 54.797 54.000 -0.014 0.000 0.899 1127 D CB -0.357 40.420 40.800 -0.037 0.000 0.902 1127 D HN 0.286 nan 8.370 nan 0.000 0.530 1128 Y N -1.375 118.968 120.300 0.071 0.000 2.391 1128 Y HA 0.511 5.061 4.550 -0.001 0.000 0.341 1128 Y C 1.296 177.259 175.900 0.105 0.000 0.965 1128 Y CA -0.968 57.132 58.100 -0.001 0.000 1.067 1128 Y CB 2.538 40.926 38.460 -0.120 0.000 1.199 1128 Y HN -0.213 nan 8.280 nan 0.000 0.450 1129 G N 1.274 110.223 108.800 0.249 0.000 3.020 1129 G HA2 0.086 4.046 3.960 -0.001 0.000 0.217 1129 G HA3 0.086 4.046 3.960 -0.001 0.000 0.217 1129 G C -0.944 174.157 174.900 0.335 0.000 1.144 1129 G CA 0.347 45.595 45.100 0.247 0.000 0.760 1129 G HN 0.515 nan 8.290 nan 0.000 0.548 1130 Y N -0.845 119.571 120.300 0.193 0.000 2.592 1130 Y HA 0.555 5.105 4.550 -0.001 0.000 0.334 1130 Y C -0.201 175.829 175.900 0.217 0.000 1.136 1130 Y CA -0.496 57.711 58.100 0.179 0.000 1.042 1130 Y CB 1.331 39.870 38.460 0.132 0.000 1.325 1130 Y HN 0.326 nan 8.280 nan 0.000 0.457 1131 G N 1.527 109.915 108.800 -0.687 0.000 2.430 1131 G HA2 0.374 4.333 3.960 -0.001 0.000 0.300 1131 G HA3 0.374 4.333 3.960 -0.001 0.000 0.300 1131 G C -2.155 172.570 174.900 -0.291 0.000 1.330 1131 G CA -0.934 43.876 45.100 -0.483 0.000 0.813 1131 G HN 0.520 nan 8.290 nan 0.000 0.487 1132 W N -0.935 120.411 121.300 0.078 0.000 2.594 1132 W HA 0.839 5.498 4.660 -0.001 0.000 0.365 1132 W C -0.810 175.841 176.519 0.221 0.000 1.196 1132 W CA -1.605 55.818 57.345 0.130 0.000 1.258 1132 W CB 1.063 30.781 29.460 0.429 0.000 1.405 1132 W HN 0.437 nan 8.180 nan 0.000 0.640 1133 F N 2.319 122.429 119.950 0.266 0.000 2.604 1133 F HA 0.375 4.902 4.527 -0.001 0.000 0.316 1133 F C -0.594 175.332 175.800 0.210 0.000 1.136 1133 F CA -0.444 57.592 58.000 0.059 0.000 0.989 1133 F CB 1.056 39.947 39.000 -0.182 0.000 1.258 1133 F HN 0.410 nan 8.300 nan 0.000 0.451 1134 H N 1.593 120.568 119.070 -0.159 0.000 3.042 1134 H HA 0.395 4.951 4.556 -0.000 0.000 0.346 1134 H C -1.699 173.604 175.328 -0.041 0.000 1.294 1134 H CA -0.976 55.138 56.048 0.110 0.000 1.141 1134 H CB 1.187 31.165 29.762 0.359 0.000 1.872 1134 H HN 0.436 nan 8.280 nan 0.000 0.541 1135 T N 1.291 115.943 114.554 0.164 0.000 2.910 1135 T HA 0.448 4.797 4.350 -0.001 0.000 0.293 1135 T C 0.265 175.126 174.700 0.268 0.000 1.015 1135 T CA -0.084 62.094 62.100 0.131 0.000 1.094 1135 T CB 1.381 70.351 68.868 0.170 0.000 0.968 1135 T HN 0.619 nan 8.240 nan 0.000 0.521 1136 S N 0.949 116.802 115.700 0.254 0.000 2.973 1136 S HA 0.788 5.258 4.470 -0.001 0.000 0.317 1136 S C -1.848 172.855 174.600 0.172 0.000 1.196 1136 S CA -0.793 57.600 58.200 0.322 0.000 0.894 1136 S CB 0.628 64.033 63.200 0.342 0.000 1.292 1136 S HN 0.557 nan 8.310 nan 0.000 0.614 1137 L N 1.504 122.802 121.223 0.125 0.000 2.354 1137 L HA 0.670 5.009 4.340 -0.001 0.000 0.264 1137 L C -1.080 175.674 176.870 -0.193 0.000 1.008 1137 L CA -0.681 54.087 54.840 -0.120 0.000 0.819 1137 L CB 1.896 43.804 42.059 -0.252 0.000 1.339 1137 L HN 0.551 nan 8.230 nan 0.000 0.420 1138 I N 2.619 122.882 120.570 -0.512 0.000 2.474 1138 I HA 0.322 4.491 4.170 -0.001 0.000 0.294 1138 I C -1.112 174.751 176.117 -0.423 0.000 1.005 1138 I CA -0.663 60.324 61.300 -0.522 0.000 1.113 1138 I CB 2.396 39.894 38.000 -0.837 0.000 1.289 1138 I HN 0.297 nan 8.210 nan 0.000 0.436 1139 L N 6.687 127.766 121.223 -0.239 0.000 2.408 1139 L HA 0.329 4.669 4.340 -0.001 0.000 0.257 1139 L C -0.031 176.775 176.870 -0.107 0.000 1.053 1139 L CA -0.310 54.395 54.840 -0.225 0.000 0.922 1139 L CB 0.479 42.342 42.059 -0.327 0.000 1.261 1139 L HN 0.420 nan 8.230 nan 0.000 0.458 1140 E N 2.712 122.907 120.200 -0.009 0.000 2.585 1140 E HA -0.023 4.327 4.350 -0.001 0.000 0.252 1140 E C 1.048 177.697 176.600 0.081 0.000 0.981 1140 E CA 0.673 57.112 56.400 0.064 0.000 0.943 1140 E CB 0.816 30.592 29.700 0.126 0.000 0.923 1140 E HN 0.795 nan 8.360 nan 0.000 0.486 1141 G N 4.138 112.981 108.800 0.072 0.000 2.442 1141 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.219 1141 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.219 1141 G C 1.490 176.473 174.900 0.139 0.000 1.141 1141 G CA 0.894 46.058 45.100 0.106 0.000 0.763 1141 G HN 0.426 nan 8.290 nan 0.000 0.554 1142 K N 0.208 120.675 120.400 0.110 0.000 1.980 1142 K HA -0.026 4.293 4.320 -0.001 0.000 0.208 1142 K C 2.426 179.099 176.600 0.121 0.000 1.043 1142 K CA 1.282 57.629 56.287 0.101 0.000 0.938 1142 K CB -0.255 32.291 32.500 0.077 0.000 0.724 1142 K HN 0.249 nan 8.250 nan 0.000 0.438 1143 N N -0.626 118.150 118.700 0.127 0.000 2.091 1143 N HA -0.239 4.500 4.740 -0.001 0.000 0.193 1143 N C 1.596 177.235 175.510 0.216 0.000 1.021 1143 N CA 1.651 54.787 53.050 0.143 0.000 0.862 1143 N CB -0.233 38.330 38.487 0.125 0.000 1.018 1143 N HN 0.222 nan 8.380 nan 0.000 0.429 1144 Y N 0.774 121.116 120.300 0.069 0.000 2.114 1144 Y HA -0.086 4.463 4.550 -0.001 0.000 0.284 1144 Y C 1.960 177.962 175.900 0.170 0.000 1.143 1144 Y CA 0.979 59.133 58.100 0.090 0.000 1.135 1144 Y CB -0.650 37.810 38.460 0.001 0.000 0.980 1144 Y HN 0.011 nan 8.280 nan 0.000 0.499 1145 L N 0.452 121.732 121.223 0.095 0.000 2.079 1145 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 1145 L C 2.420 179.300 176.870 0.017 0.000 1.081 1145 L CA 2.040 56.890 54.840 0.017 0.000 0.752 1145 L CB -1.228 40.874 42.059 0.073 0.000 0.896 1145 L HN 0.340 nan 8.230 nan 0.000 0.433 1146 Q N -1.859 117.977 119.800 0.059 0.000 2.083 1146 Q HA -0.245 4.095 4.340 -0.001 0.000 0.198 1146 Q C 2.089 178.109 176.000 0.034 0.000 0.969 1146 Q CA 1.761 57.583 55.803 0.031 0.000 0.838 1146 Q CB -0.629 28.138 28.738 0.049 0.000 0.900 1146 Q HN 0.518 nan 8.270 nan 0.000 0.436 1147 W N 0.265 121.512 121.300 -0.089 0.000 2.354 1147 W HA -0.174 4.485 4.660 -0.001 0.000 0.315 1147 W C 1.516 177.949 176.519 -0.143 0.000 1.206 1147 W CA 1.826 59.114 57.345 -0.095 0.000 1.290 1147 W CB -0.420 29.008 29.460 -0.053 0.000 1.152 1147 W HN 0.221 nan 8.180 nan 0.000 0.489 1148 L N -0.056 121.111 121.223 -0.095 0.000 1.990 1148 L HA -0.321 4.019 4.340 -0.001 0.000 0.213 1148 L C 2.544 179.265 176.870 -0.249 0.000 1.072 1148 L CA 2.161 56.840 54.840 -0.269 0.000 0.755 1148 L CB -1.513 40.436 42.059 -0.184 0.000 0.889 1148 L HN -0.046 nan 8.230 nan 0.000 0.432 1149 T N -0.654 113.809 114.554 -0.153 0.000 2.620 1149 T HA -0.301 4.049 4.350 -0.001 0.000 0.267 1149 T C 1.736 176.261 174.700 -0.291 0.000 1.044 1149 T CA 2.023 64.002 62.100 -0.201 0.000 1.161 1149 T CB -0.311 68.409 68.868 -0.247 0.000 0.862 1149 T HN 0.414 nan 8.240 nan 0.000 0.438 1150 E N 0.135 120.150 120.200 -0.308 0.000 2.051 1150 E HA -0.142 4.207 4.350 -0.001 0.000 0.192 1150 E C 2.624 179.017 176.600 -0.344 0.000 0.991 1150 E CA 0.933 57.147 56.400 -0.309 0.000 0.799 1150 E CB -0.100 29.431 29.700 -0.281 0.000 0.748 1150 E HN 0.155 nan 8.360 nan 0.000 0.449 1151 R N 0.455 120.648 120.500 -0.512 0.000 2.115 1151 R HA -0.173 4.166 4.340 -0.001 0.000 0.239 1151 R C 2.210 178.324 176.300 -0.310 0.000 1.133 1151 R CA 1.165 56.964 56.100 -0.503 0.000 0.935 1151 R CB -0.769 29.058 30.300 -0.788 0.000 0.853 1151 R HN 0.122 nan 8.270 nan 0.000 0.433 1152 L N 0.124 121.215 121.223 -0.220 0.000 2.012 1152 L HA -0.170 4.170 4.340 -0.001 0.000 0.210 1152 L C 2.113 178.953 176.870 -0.050 0.000 1.073 1152 L CA 2.118 56.904 54.840 -0.090 0.000 0.748 1152 L CB -1.573 40.582 42.059 0.159 0.000 0.891 1152 L HN 0.300 nan 8.230 nan 0.000 0.431 1153 T N -1.008 113.506 114.554 -0.067 0.000 2.720 1153 T HA -0.209 4.141 4.350 -0.001 0.000 0.268 1153 T C 1.817 176.452 174.700 -0.109 0.000 1.037 1153 T CA 1.351 63.396 62.100 -0.092 0.000 1.144 1153 T CB -0.120 68.610 68.868 -0.230 0.000 0.864 1153 T HN 0.355 nan 8.240 nan 0.000 0.444 1154 E N 0.640 120.752 120.200 -0.147 0.000 2.110 1154 E HA -0.056 4.294 4.350 -0.001 0.000 0.193 1154 E C 2.193 178.720 176.600 -0.121 0.000 0.988 1154 E CA 0.749 57.073 56.400 -0.127 0.000 0.804 1154 E CB -0.015 29.598 29.700 -0.145 0.000 0.745 1154 E HN 0.348 nan 8.360 nan 0.000 0.458 1155 R N -0.789 119.591 120.500 -0.200 0.000 2.319 1155 R HA 0.069 4.408 4.340 -0.001 0.000 0.204 1155 R C 0.931 177.105 176.300 -0.211 0.000 0.954 1155 R CA 0.486 56.400 56.100 -0.311 0.000 1.066 1155 R CB 0.439 30.293 30.300 -0.742 0.000 0.991 1155 R HN 0.237 nan 8.270 nan 0.000 0.486 1156 G N 0.662 109.404 108.800 -0.097 0.000 2.148 1156 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.254 1156 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.254 1156 G C 0.179 175.081 174.900 0.003 0.000 0.981 1156 G CA 0.057 45.147 45.100 -0.017 0.000 0.670 1156 G HN 0.159 nan 8.290 nan 0.000 0.528 1157 V N 1.757 121.654 119.914 -0.028 0.000 2.521 1157 V HA 0.312 4.432 4.120 -0.001 0.000 0.286 1157 V C 0.721 176.855 176.094 0.066 0.000 1.034 1157 V CA -0.137 62.151 62.300 -0.020 0.000 1.045 1157 V CB 1.250 33.011 31.823 -0.104 0.000 0.974 1157 V HN 0.235 nan 8.190 nan 0.000 0.480 1158 K N 4.586 124.980 120.400 -0.011 0.000 2.130 1158 K HA 0.559 4.878 4.320 -0.001 0.000 0.268 1158 K C -0.839 175.587 176.600 -0.290 0.000 0.983 1158 K CA -0.173 56.072 56.287 -0.070 0.000 0.893 1158 K CB 1.567 34.030 32.500 -0.060 0.000 1.066 1158 K HN 0.459 nan 8.250 nan 0.000 0.450 1159 F N 1.905 121.487 119.950 -0.614 0.000 2.495 1159 F HA 0.473 5.000 4.527 -0.001 0.000 0.327 1159 F C -0.269 175.083 175.800 -0.747 0.000 1.103 1159 F CA -0.978 56.772 58.000 -0.416 0.000 0.949 1159 F CB 1.185 40.002 39.000 -0.305 0.000 1.142 1159 F HN 0.299 nan 8.300 nan 0.000 0.457 1160 F N 1.446 121.629 119.950 0.389 0.000 2.561 1160 F HA 0.286 4.812 4.527 -0.001 0.000 0.313 1160 F C -0.358 175.661 175.800 0.365 0.000 1.126 1160 F CA -0.978 57.176 58.000 0.257 0.000 0.918 1160 F CB 1.708 40.806 39.000 0.165 0.000 1.199 1160 F HN 0.290 nan 8.300 nan 0.000 0.444 1161 Q N 5.633 125.682 119.800 0.414 0.000 2.441 1161 Q HA 0.363 4.703 4.340 -0.001 0.000 0.234 1161 Q C -0.884 175.232 176.000 0.193 0.000 1.078 1161 Q CA -0.267 55.799 55.803 0.438 0.000 0.907 1161 Q CB 0.602 29.537 28.738 0.329 0.000 1.269 1161 Q HN 0.972 nan 8.270 nan 0.000 0.502 1162 R N 1.557 122.129 120.500 0.119 0.000 2.707 1162 R HA 0.489 4.828 4.340 -0.001 0.000 0.272 1162 R C -1.273 175.000 176.300 -0.046 0.000 1.011 1162 R CA -0.990 55.096 56.100 -0.023 0.000 0.893 1162 R CB 1.359 31.561 30.300 -0.164 0.000 1.233 1162 R HN 0.111 nan 8.270 nan 0.000 0.464 1163 K N 2.199 122.555 120.400 -0.073 0.000 2.267 1163 K HA 0.216 4.535 4.320 -0.001 0.000 0.282 1163 K C -0.677 175.875 176.600 -0.081 0.000 1.078 1163 K CA -0.546 55.690 56.287 -0.085 0.000 0.903 1163 K CB 1.383 33.826 32.500 -0.095 0.000 1.111 1163 K HN 0.420 nan 8.250 nan 0.000 0.475 1164 V N 4.460 124.342 119.914 -0.053 0.000 2.470 1164 V HA -0.012 4.108 4.120 -0.001 0.000 0.276 1164 V C 1.102 177.150 176.094 -0.076 0.000 1.040 1164 V CA 0.190 62.471 62.300 -0.032 0.000 1.008 1164 V CB 1.129 32.978 31.823 0.043 0.000 0.990 1164 V HN 0.842 nan 8.190 nan 0.000 0.477 1165 E N 2.764 122.917 120.200 -0.077 0.000 2.190 1165 E HA 0.058 4.408 4.350 -0.001 0.000 0.191 1165 E C 0.669 177.195 176.600 -0.124 0.000 0.978 1165 E CA 0.729 57.073 56.400 -0.093 0.000 0.839 1165 E CB 0.406 30.063 29.700 -0.073 0.000 0.787 1165 E HN 0.873 nan 8.360 nan 0.000 0.473 1166 S N -2.147 113.484 115.700 -0.115 0.000 2.547 1166 S HA 0.261 4.731 4.470 -0.001 0.000 0.270 1166 S C 0.141 174.692 174.600 -0.082 0.000 1.150 1166 S CA -0.785 57.319 58.200 -0.160 0.000 0.850 1166 S CB -0.043 63.113 63.200 -0.073 0.000 1.118 1166 S HN -0.077 nan 8.310 nan 0.000 0.461 1167 F N 2.317 122.283 119.950 0.027 0.000 2.091 1167 F HA -0.083 4.443 4.527 -0.001 0.000 0.299 1167 F C 2.791 178.604 175.800 0.023 0.000 1.103 1167 F CA 2.044 60.058 58.000 0.024 0.000 1.228 1167 F CB -0.720 38.296 39.000 0.027 0.000 0.984 1167 F HN 0.776 nan 8.300 nan 0.000 0.477 1168 E N 0.860 121.188 120.200 0.213 0.000 2.085 1168 E HA -0.305 4.045 4.350 -0.001 0.000 0.194 1168 E C 1.984 178.633 176.600 0.082 0.000 0.994 1168 E CA 1.477 57.950 56.400 0.122 0.000 0.801 1168 E CB -1.274 28.480 29.700 0.089 0.000 0.743 1168 E HN 0.668 nan 8.360 nan 0.000 0.453 1169 E N 1.328 121.564 120.200 0.060 0.000 2.108 1169 E HA -0.221 4.128 4.350 -0.001 0.000 0.203 1169 E C 2.143 178.781 176.600 0.063 0.000 1.022 1169 E CA 2.158 58.581 56.400 0.039 0.000 0.823 1169 E CB 0.043 29.751 29.700 0.014 0.000 0.744 1169 E HN 0.178 nan 8.360 nan 0.000 0.456 1170 V N 0.806 120.783 119.914 0.106 0.000 2.591 1170 V HA -0.127 3.993 4.120 -0.001 0.000 0.249 1170 V C 2.410 178.560 176.094 0.093 0.000 1.053 1170 V CA 1.418 63.802 62.300 0.140 0.000 1.068 1170 V CB -0.422 31.514 31.823 0.188 0.000 0.689 1170 V HN 0.473 nan 8.190 nan 0.000 0.462 1171 A N 0.236 123.106 122.820 0.084 0.000 1.855 1171 A HA -0.172 4.148 4.320 -0.001 0.000 0.215 1171 A C 2.365 179.973 177.584 0.040 0.000 1.191 1171 A CA 1.444 53.514 52.037 0.055 0.000 0.613 1171 A CB -0.517 18.517 19.000 0.057 0.000 0.829 1171 A HN 0.417 nan 8.150 nan 0.000 0.442 1172 R N 0.310 120.834 120.500 0.041 0.000 2.140 1172 R HA -0.224 4.116 4.340 -0.001 0.000 0.250 1172 R C 1.856 178.168 176.300 0.020 0.000 1.150 1172 R CA 1.856 57.972 56.100 0.026 0.000 0.966 1172 R CB -0.500 29.813 30.300 0.022 0.000 0.869 1172 R HN 0.911 nan 8.270 nan 0.000 0.445 1173 E N -0.993 119.222 120.200 0.026 0.000 2.489 1173 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 1173 E C 0.967 177.578 176.600 0.019 0.000 1.057 1173 E CA 0.574 56.985 56.400 0.018 0.000 0.866 1173 E CB 0.597 30.306 29.700 0.015 0.000 0.916 1173 E HN 0.402 nan 8.360 nan 0.000 0.500 1174 G N 0.481 109.294 108.800 0.021 0.000 2.485 1174 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.181 1174 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.181 1174 G C 0.413 175.320 174.900 0.011 0.000 0.999 1174 G CA -0.364 44.745 45.100 0.014 0.000 0.721 1174 G HN 0.541 nan 8.290 nan 0.000 0.486 1175 A N 0.618 123.445 122.820 0.012 0.000 2.561 1175 A HA 0.476 4.796 4.320 -0.001 0.000 0.234 1175 A C 1.021 178.606 177.584 0.001 0.000 1.055 1175 A CA 1.319 53.355 52.037 -0.001 0.000 0.756 1175 A CB 0.272 19.268 19.000 -0.007 0.000 0.986 1175 A HN 0.184 nan 8.150 nan 0.000 0.505 1176 D N 0.181 120.582 120.400 0.002 0.000 2.422 1176 D HA 0.218 4.858 4.640 -0.001 0.000 0.218 1176 D C -0.175 176.125 176.300 0.001 0.000 1.047 1176 D CA 0.720 54.720 54.000 -0.000 0.000 0.885 1176 D CB 0.510 41.311 40.800 0.001 0.000 1.035 1176 D HN 0.227 nan 8.370 nan 0.000 0.502 1177 V N 1.403 121.329 119.914 0.020 0.000 2.760 1177 V HA 0.405 4.525 4.120 -0.001 0.000 0.309 1177 V C -0.691 175.394 176.094 -0.014 0.000 1.077 1177 V CA -0.704 61.614 62.300 0.031 0.000 0.910 1177 V CB 3.001 34.923 31.823 0.167 0.000 1.008 1177 V HN -0.102 nan 8.190 nan 0.000 0.424 1178 I N 4.331 124.868 120.570 -0.055 0.000 2.464 1178 I HA 0.319 4.488 4.170 -0.001 0.000 0.277 1178 I C -0.430 175.618 176.117 -0.114 0.000 1.040 1178 I CA -0.647 60.603 61.300 -0.083 0.000 1.153 1178 I CB 1.766 39.723 38.000 -0.072 0.000 1.274 1178 I HN 0.314 nan 8.210 nan 0.000 0.469 1179 V N 4.863 124.723 119.914 -0.091 0.000 2.439 1179 V HA 0.065 4.185 4.120 -0.001 0.000 0.271 1179 V C 0.396 176.460 176.094 -0.051 0.000 1.040 1179 V CA -0.279 61.971 62.300 -0.083 0.000 1.002 1179 V CB 0.702 32.468 31.823 -0.095 0.000 1.000 1179 V HN 0.648 nan 8.190 nan 0.000 0.477 1180 N N 4.396 123.066 118.700 -0.050 0.000 2.678 1180 N HA 0.248 4.988 4.740 -0.001 0.000 0.231 1180 N C -0.398 175.222 175.510 0.183 0.000 1.038 1180 N CA -0.377 52.708 53.050 0.059 0.000 0.932 1180 N CB 0.478 38.945 38.487 -0.033 0.000 1.176 1180 N HN 0.666 nan 8.380 nan 0.000 0.511 1181 C N 2.358 121.747 119.300 0.148 0.000 2.534 1181 C HA 0.228 4.687 4.460 -0.001 0.000 0.285 1181 C C 1.614 176.709 174.990 0.175 0.000 1.505 1181 C CA -0.563 58.559 59.018 0.173 0.000 1.715 1181 C CB -1.558 26.235 27.740 0.087 0.000 2.935 1181 C HN 0.777 nan 8.230 nan 0.000 0.540 1182 T N -1.903 112.771 114.554 0.200 0.000 3.194 1182 T HA 0.364 4.713 4.350 -0.001 0.000 0.251 1182 T C 1.415 176.266 174.700 0.252 0.000 1.132 1182 T CA 0.708 62.917 62.100 0.182 0.000 1.028 1182 T CB 0.007 68.947 68.868 0.121 0.000 0.976 1182 T HN 0.899 nan 8.240 nan 0.000 0.535 1183 G N 1.523 110.467 108.800 0.240 0.000 2.602 1183 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.306 1183 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.306 1183 G C 0.999 175.927 174.900 0.046 0.000 1.301 1183 G CA 0.502 45.723 45.100 0.201 0.000 0.974 1183 G HN 0.772 nan 8.290 nan 0.000 0.547 1184 V N 0.355 120.175 119.914 -0.156 0.000 2.546 1184 V HA -0.086 4.034 4.120 -0.001 0.000 0.254 1184 V C 2.111 178.052 176.094 -0.255 0.000 1.076 1184 V CA 2.765 64.852 62.300 -0.355 0.000 1.087 1184 V CB -0.448 30.951 31.823 -0.707 0.000 0.674 1184 V HN 0.597 nan 8.190 nan 0.000 0.470 1185 W N -0.753 120.588 121.300 0.069 0.000 3.345 1185 W HA 0.313 4.973 4.660 -0.000 0.000 0.282 1185 W C 2.242 178.709 176.519 -0.087 0.000 1.302 1185 W CA 0.285 57.651 57.345 0.035 0.000 1.724 1185 W CB -0.760 28.708 29.460 0.013 0.000 1.104 1185 W HN 0.455 nan 8.180 nan 0.000 0.694 1186 A N 1.203 123.994 122.820 -0.048 0.000 1.997 1186 A HA -0.172 4.148 4.320 -0.001 0.000 0.221 1186 A C 2.368 179.846 177.584 -0.176 0.000 1.172 1186 A CA 2.270 54.134 52.037 -0.289 0.000 0.645 1186 A CB -1.190 17.139 19.000 -1.119 0.000 0.813 1186 A HN 0.290 nan 8.150 nan 0.000 0.454 1187 G N -0.433 108.309 108.800 -0.096 0.000 2.446 1187 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.217 1187 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.217 1187 G C 1.580 176.452 174.900 -0.046 0.000 1.168 1187 G CA 1.249 46.328 45.100 -0.035 0.000 0.771 1187 G HN 1.039 nan 8.290 nan 0.000 0.551 1188 A N -0.463 122.326 122.820 -0.053 0.000 2.292 1188 A HA 0.296 4.616 4.320 -0.001 0.000 0.209 1188 A C 2.015 179.518 177.584 -0.135 0.000 1.209 1188 A CA 0.898 52.885 52.037 -0.084 0.000 0.746 1188 A CB -0.248 18.708 19.000 -0.073 0.000 0.764 1188 A HN 0.414 nan 8.150 nan 0.000 0.492 1189 L N -2.834 118.287 121.223 -0.169 0.000 2.766 1189 L HA 0.271 4.610 4.340 -0.001 0.000 0.241 1189 L C 0.748 177.468 176.870 -0.249 0.000 1.080 1189 L CA 0.166 54.788 54.840 -0.364 0.000 0.909 1189 L CB 0.570 42.246 42.059 -0.638 0.000 1.277 1189 L HN 0.485 nan 8.230 nan 0.000 0.510 1190 Q N 0.925 120.716 119.800 -0.014 0.000 2.487 1190 Q HA 0.169 4.508 4.340 -0.001 0.000 0.234 1190 Q C -0.920 175.148 176.000 0.112 0.000 0.828 1190 Q CA -0.622 55.268 55.803 0.145 0.000 0.907 1190 Q CB 1.404 30.402 28.738 0.434 0.000 1.462 1190 Q HN -0.009 nan 8.270 nan 0.000 0.442 1191 R N 2.526 123.070 120.500 0.072 0.000 2.669 1191 R HA -0.148 4.192 4.340 -0.001 0.000 0.283 1191 R C -1.031 175.321 176.300 0.086 0.000 0.851 1191 R CA 1.425 57.562 56.100 0.061 0.000 1.126 1191 R CB 0.114 30.445 30.300 0.051 0.000 0.883 1191 R HN 0.665 nan 8.270 nan 0.000 0.418 1192 D N 5.842 126.293 120.400 0.084 0.000 2.337 1192 D HA 0.180 4.820 4.640 -0.001 0.000 0.238 1192 D C -1.753 174.604 176.300 0.096 0.000 1.331 1192 D CA -1.392 52.674 54.000 0.110 0.000 0.967 1192 D CB 1.246 42.150 40.800 0.173 0.000 1.382 1192 D HN 0.238 nan 8.370 nan 0.000 0.549 1193 P HA -0.073 nan 4.420 nan 0.000 0.220 1193 P C 1.714 179.064 177.300 0.082 0.000 1.148 1193 P CA 0.414 63.558 63.100 0.074 0.000 0.803 1193 P CB 0.691 32.426 31.700 0.059 0.000 0.782 1194 L N -1.433 119.843 121.223 0.089 0.000 2.109 1194 L HA -0.040 4.300 4.340 -0.001 0.000 0.207 1194 L C 1.521 178.453 176.870 0.104 0.000 1.086 1194 L CA 0.011 54.906 54.840 0.092 0.000 0.760 1194 L CB -0.888 41.225 42.059 0.090 0.000 0.910 1194 L HN 0.042 nan 8.230 nan 0.000 0.437 1195 L N 0.832 122.130 121.223 0.125 0.000 2.490 1195 L HA 0.070 4.409 4.340 -0.001 0.000 0.274 1195 L C -0.268 176.639 176.870 0.062 0.000 1.201 1195 L CA 0.977 55.886 54.840 0.115 0.000 0.869 1195 L CB 0.299 42.438 42.059 0.134 0.000 1.123 1195 L HN 0.169 nan 8.230 nan 0.000 0.484 1196 Q N 5.397 125.191 119.800 -0.010 0.000 2.391 1196 Q HA 0.440 4.780 4.340 -0.001 0.000 0.279 1196 Q C -2.651 173.152 176.000 -0.327 0.000 1.028 1196 Q CA -1.727 54.011 55.803 -0.108 0.000 0.836 1196 Q CB 2.924 31.641 28.738 -0.036 0.000 1.414 1196 Q HN 0.450 nan 8.270 nan 0.000 0.397 1197 P HA 0.102 nan 4.420 nan 0.000 0.287 1197 P C -0.377 176.595 177.300 -0.547 0.000 1.307 1197 P CA -0.037 62.560 63.100 -0.837 0.000 0.777 1197 P CB 0.646 31.314 31.700 -1.719 0.000 0.883 1198 G N 4.368 112.868 108.800 -0.499 0.000 2.915 1198 G HA2 0.118 4.078 3.960 -0.001 0.000 0.298 1198 G HA3 0.118 4.078 3.960 -0.001 0.000 0.298 1198 G C 0.318 174.816 174.900 -0.670 0.000 0.837 1198 G CA -0.498 44.079 45.100 -0.872 0.000 1.752 1198 G HN 0.472 nan 8.290 nan 0.000 0.526 1199 R N 1.557 121.793 120.500 -0.440 0.000 2.570 1199 R HA 0.413 4.752 4.340 -0.001 0.000 0.277 1199 R C 0.338 176.478 176.300 -0.266 0.000 1.039 1199 R CA 0.446 56.410 56.100 -0.226 0.000 1.065 1199 R CB 0.449 30.719 30.300 -0.050 0.000 0.964 1199 R HN 0.433 nan 8.270 nan 0.000 0.428 1200 G N 2.178 110.828 108.800 -0.249 0.000 2.659 1200 G HA2 0.315 4.275 3.960 -0.001 0.000 0.296 1200 G HA3 0.315 4.275 3.960 -0.001 0.000 0.296 1200 G C -1.851 172.972 174.900 -0.128 0.000 1.369 1200 G CA -0.529 44.490 45.100 -0.134 0.000 0.937 1200 G HN 0.562 nan 8.290 nan 0.000 0.485 1201 Q N -0.103 119.666 119.800 -0.052 0.000 2.347 1201 Q HA 0.659 4.998 4.340 -0.001 0.000 0.271 1201 Q C -0.756 175.232 176.000 -0.020 0.000 1.064 1201 Q CA -0.831 54.945 55.803 -0.044 0.000 0.800 1201 Q CB 2.247 30.970 28.738 -0.024 0.000 1.304 1201 Q HN 0.726 nan 8.270 nan 0.000 0.438 1202 I N -0.642 119.922 120.570 -0.010 0.000 3.067 1202 I HA 0.702 4.871 4.170 -0.001 0.000 0.312 1202 I C -1.121 174.999 176.117 0.005 0.000 1.073 1202 I CA -1.236 60.064 61.300 0.001 0.000 1.016 1202 I CB 2.350 40.379 38.000 0.048 0.000 1.227 1202 I HN 0.657 nan 8.210 nan 0.000 0.456 1203 M N 2.857 122.461 119.600 0.006 0.000 2.106 1203 M HA 0.459 4.938 4.480 -0.001 0.000 0.288 1203 M C -1.499 174.827 176.300 0.042 0.000 0.941 1203 M CA -0.443 54.873 55.300 0.026 0.000 0.934 1203 M CB 1.343 33.954 32.600 0.019 0.000 1.551 1203 M HN 0.571 nan 8.290 nan 0.000 0.437 1204 K N 3.038 123.464 120.400 0.044 0.000 2.234 1204 K HA 0.595 4.915 4.320 -0.001 0.000 0.282 1204 K C -1.134 175.495 176.600 0.048 0.000 1.039 1204 K CA -0.459 55.853 56.287 0.043 0.000 0.928 1204 K CB 2.032 34.554 32.500 0.037 0.000 1.039 1204 K HN 0.483 nan 8.250 nan 0.000 0.470 1205 V N 1.654 121.593 119.914 0.042 0.000 3.130 1205 V HA 0.218 4.337 4.120 -0.001 0.000 0.310 1205 V C -1.634 174.459 176.094 -0.001 0.000 1.158 1205 V CA -0.758 61.574 62.300 0.053 0.000 1.029 1205 V CB 2.424 34.315 31.823 0.112 0.000 1.057 1205 V HN 0.792 nan 8.190 nan 0.000 0.436 1206 D N 3.326 123.728 120.400 0.004 0.000 2.472 1206 D HA 0.682 5.322 4.640 -0.001 0.000 0.234 1206 D C -0.321 175.901 176.300 -0.130 0.000 1.088 1206 D CA 0.112 54.091 54.000 -0.035 0.000 0.882 1206 D CB 1.126 41.940 40.800 0.024 0.000 1.037 1206 D HN 0.808 nan 8.370 nan 0.000 0.520 1207 A N 5.048 127.646 122.820 -0.370 0.000 3.409 1207 A HA 0.352 4.672 4.320 -0.001 0.000 0.282 1207 A C -1.959 175.039 177.584 -0.976 0.000 1.064 1207 A CA -0.767 50.620 52.037 -1.083 0.000 0.889 1207 A CB 0.944 19.235 19.000 -1.182 0.000 1.251 1207 A HN 0.381 nan 8.150 nan 0.000 0.538 1208 P HA -0.149 nan 4.420 nan 0.000 0.228 1208 P C 1.051 178.308 177.300 -0.071 0.000 1.151 1208 P CA 0.958 63.963 63.100 -0.159 0.000 0.770 1208 P CB -0.292 31.411 31.700 0.005 0.000 0.786 1209 W N -0.708 120.599 121.300 0.011 0.000 2.800 1209 W HA 0.178 4.838 4.660 -0.001 0.000 0.249 1209 W C 0.738 177.264 176.519 0.012 0.000 1.294 1209 W CA -0.290 57.060 57.345 0.009 0.000 1.402 1209 W CB -1.382 28.087 29.460 0.015 0.000 1.126 1209 W HN -0.286 nan 8.180 nan 0.000 0.652 1210 M N 2.683 122.102 119.600 -0.303 0.000 2.184 1210 M HA 0.138 4.618 4.480 -0.001 0.000 0.351 1210 M C 0.569 176.819 176.300 -0.084 0.000 1.395 1210 M CA 0.447 55.660 55.300 -0.144 0.000 1.117 1210 M CB 0.917 33.364 32.600 -0.254 0.000 1.708 1210 M HN -0.059 nan 8.290 nan 0.000 0.468 1211 K N 1.701 122.045 120.400 -0.094 0.000 2.373 1211 K HA 0.228 4.548 4.320 -0.001 0.000 0.200 1211 K C -0.220 176.160 176.600 -0.367 0.000 1.054 1211 K CA 0.402 56.542 56.287 -0.245 0.000 1.065 1211 K CB 0.437 32.730 32.500 -0.344 0.000 0.886 1211 K HN 0.694 nan 8.250 nan 0.000 0.546 1212 H N -0.111 119.009 119.070 0.084 0.000 2.637 1212 H HA 0.317 4.872 4.556 -0.001 0.000 0.363 1212 H C -0.457 174.890 175.328 0.032 0.000 1.131 1212 H CA -1.177 54.868 56.048 -0.004 0.000 1.183 1212 H CB 1.169 30.996 29.762 0.108 0.000 1.637 1212 H HN -0.092 nan 8.280 nan 0.000 0.531 1213 F N 0.987 121.044 119.950 0.178 0.000 2.418 1213 F HA 0.509 5.036 4.527 -0.001 0.000 0.341 1213 F C -0.676 175.204 175.800 0.133 0.000 1.120 1213 F CA -0.942 57.123 58.000 0.109 0.000 1.232 1213 F CB 0.241 39.261 39.000 0.032 0.000 1.175 1213 F HN 0.295 nan 8.300 nan 0.000 0.569 1214 I N 5.095 125.872 120.570 0.345 0.000 2.476 1214 I HA 0.304 4.474 4.170 -0.001 0.000 0.281 1214 I C -1.090 175.074 176.117 0.078 0.000 1.040 1214 I CA -0.486 60.893 61.300 0.131 0.000 1.094 1214 I CB 1.462 39.421 38.000 -0.069 0.000 1.219 1214 I HN 0.557 nan 8.210 nan 0.000 0.450 1215 L N 5.734 126.993 121.223 0.060 0.000 2.317 1215 L HA 0.614 4.954 4.340 -0.001 0.000 0.281 1215 L C 0.435 177.039 176.870 -0.444 0.000 1.024 1215 L CA -0.531 54.236 54.840 -0.122 0.000 0.810 1215 L CB 1.997 44.004 42.059 -0.088 0.000 1.240 1215 L HN 0.585 nan 8.230 nan 0.000 0.427 1216 T N -2.115 112.097 114.554 -0.570 0.000 2.945 1216 T HA 0.561 4.911 4.350 -0.001 0.000 0.286 1216 T C -0.501 173.658 174.700 -0.902 0.000 1.025 1216 T CA -0.804 60.847 62.100 -0.748 0.000 1.039 1216 T CB 1.631 70.144 68.868 -0.591 0.000 1.068 1216 T HN 0.452 nan 8.240 nan 0.000 0.497 1217 H N 0.915 119.748 119.070 -0.396 0.000 2.759 1217 H HA 0.547 5.102 4.556 -0.001 0.000 0.354 1217 H C -1.430 173.896 175.328 -0.004 0.000 1.074 1217 H CA -0.598 55.275 56.048 -0.293 0.000 1.226 1217 H CB 2.163 31.502 29.762 -0.704 0.000 1.648 1217 H HN 0.767 nan 8.280 nan 0.000 0.529 1218 D N 4.021 124.521 120.400 0.166 0.000 2.452 1218 D HA 0.149 4.788 4.640 -0.001 0.000 0.226 1218 D C -2.296 174.087 176.300 0.140 0.000 1.366 1218 D CA -1.515 52.622 54.000 0.229 0.000 0.986 1218 D CB 2.380 43.309 40.800 0.215 0.000 1.420 1218 D HN 0.130 nan 8.370 nan 0.000 0.583 1219 P HA -0.093 nan 4.420 nan 0.000 0.218 1219 P C 1.018 178.342 177.300 0.039 0.000 1.148 1219 P CA 0.796 63.941 63.100 0.075 0.000 0.822 1219 P CB 0.396 32.142 31.700 0.076 0.000 0.784 1220 E N -0.349 119.875 120.200 0.039 0.000 2.393 1220 E HA -0.170 4.179 4.350 -0.001 0.000 0.201 1220 E C 1.468 178.083 176.600 0.024 0.000 1.025 1220 E CA 1.013 57.426 56.400 0.021 0.000 0.856 1220 E CB -0.255 29.451 29.700 0.011 0.000 0.771 1220 E HN 0.458 nan 8.360 nan 0.000 0.526 1221 R N -1.062 119.455 120.500 0.030 0.000 2.568 1221 R HA 0.224 4.564 4.340 -0.001 0.000 0.254 1221 R C 0.783 177.080 176.300 -0.005 0.000 0.925 1221 R CA 0.388 56.505 56.100 0.028 0.000 1.025 1221 R CB 1.233 31.562 30.300 0.048 0.000 1.428 1221 R HN 0.128 nan 8.270 nan 0.000 0.573 1222 G N 2.319 111.105 108.800 -0.024 0.000 2.860 1222 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.553 1222 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.553 1222 G C -0.281 174.532 174.900 -0.146 0.000 1.439 1222 G CA -0.372 44.670 45.100 -0.097 0.000 0.879 1222 G HN 0.144 nan 8.290 nan 0.000 0.545 1223 I N 0.309 120.719 120.570 -0.267 0.000 2.948 1223 I HA 0.231 4.401 4.170 -0.001 0.000 0.303 1223 I C 1.424 177.373 176.117 -0.279 0.000 1.224 1223 I CA 1.210 62.271 61.300 -0.398 0.000 1.442 1223 I CB -0.483 37.127 38.000 -0.651 0.000 1.328 1223 I HN 1.229 nan 8.210 nan 0.000 0.578 1224 Y N 2.531 122.869 120.300 0.063 0.000 4.916 1224 Y HA -0.289 4.260 4.550 -0.001 0.000 0.247 1224 Y C 1.271 177.315 175.900 0.240 0.000 0.962 1224 Y CA 1.042 59.260 58.100 0.197 0.000 1.933 1224 Y CB -2.221 36.457 38.460 0.363 0.000 1.451 1224 Y HN 0.736 nan 8.280 nan 0.000 0.539 1225 N N 0.426 119.257 118.700 0.219 0.000 2.328 1225 N HA 0.230 4.970 4.740 -0.001 0.000 0.247 1225 N C -0.407 175.162 175.510 0.098 0.000 1.165 1225 N CA 0.759 53.917 53.050 0.180 0.000 0.873 1225 N CB 0.392 38.971 38.487 0.152 0.000 1.125 1225 N HN 0.420 nan 8.380 nan 0.000 0.513 1226 S N -1.133 114.612 115.700 0.075 0.000 2.569 1226 S HA 0.666 5.136 4.470 -0.001 0.000 0.280 1226 S C -3.078 171.515 174.600 -0.011 0.000 1.111 1226 S CA -1.409 56.804 58.200 0.023 0.000 0.887 1226 S CB 2.232 65.433 63.200 0.001 0.000 1.095 1226 S HN -0.145 nan 8.310 nan 0.000 0.476 1227 P HA 0.145 nan 4.420 nan 0.000 0.260 1227 P C -1.117 176.128 177.300 -0.092 0.000 1.172 1227 P CA 0.495 63.521 63.100 -0.124 0.000 0.760 1227 P CB -0.454 31.191 31.700 -0.091 0.000 0.773 1228 Y N 2.036 122.288 120.300 -0.079 0.000 2.545 1228 Y HA 0.809 5.358 4.550 -0.001 0.000 0.348 1228 Y C -0.938 174.943 175.900 -0.032 0.000 1.002 1228 Y CA -1.834 56.220 58.100 -0.076 0.000 1.039 1228 Y CB 1.282 39.704 38.460 -0.063 0.000 1.271 1228 Y HN 0.121 nan 8.280 nan 0.000 0.467 1229 I N 4.392 125.111 120.570 0.248 0.000 2.468 1229 I HA 0.404 4.574 4.170 -0.001 0.000 0.284 1229 I C -1.293 174.969 176.117 0.241 0.000 1.038 1229 I CA -0.526 60.876 61.300 0.171 0.000 1.083 1229 I CB 1.638 39.684 38.000 0.077 0.000 1.223 1229 I HN 0.575 nan 8.210 nan 0.000 0.443 1230 I N 7.761 128.467 120.570 0.227 0.000 2.437 1230 I HA 0.323 4.493 4.170 -0.001 0.000 0.279 1230 I C -2.444 173.772 176.117 0.165 0.000 1.028 1230 I CA -1.902 59.522 61.300 0.207 0.000 1.142 1230 I CB 1.562 39.645 38.000 0.137 0.000 1.266 1230 I HN 0.218 nan 8.210 nan 0.000 0.461 1231 P HA 0.032 nan 4.420 nan 0.000 0.258 1231 P C 0.534 177.966 177.300 0.221 0.000 1.214 1231 P CA 0.216 63.393 63.100 0.128 0.000 0.872 1231 P CB 0.405 32.171 31.700 0.110 0.000 0.890 1232 G N 2.099 110.995 108.800 0.159 0.000 2.553 1232 G HA2 0.132 4.091 3.960 -0.001 0.000 0.278 1232 G HA3 0.132 4.091 3.960 -0.001 0.000 0.278 1232 G C 1.258 176.176 174.900 0.030 0.000 1.349 1232 G CA 0.026 45.247 45.100 0.201 0.000 1.037 1232 G HN 0.362 nan 8.290 nan 0.000 0.508 1233 T N -1.503 113.026 114.554 -0.043 0.000 2.770 1233 T HA -0.102 4.248 4.350 -0.001 0.000 0.263 1233 T C 2.043 176.672 174.700 -0.118 0.000 1.039 1233 T CA 1.889 63.861 62.100 -0.214 0.000 1.142 1233 T CB -0.193 68.555 68.868 -0.202 0.000 0.868 1233 T HN 0.342 nan 8.240 nan 0.000 0.435 1234 Q N 0.310 120.080 119.800 -0.050 0.000 2.339 1234 Q HA 0.236 4.576 4.340 -0.001 0.000 0.205 1234 Q C 1.125 177.105 176.000 -0.033 0.000 0.925 1234 Q CA 0.671 56.452 55.803 -0.037 0.000 0.898 1234 Q CB 0.386 29.115 28.738 -0.014 0.000 1.013 1234 Q HN 0.573 nan 8.270 nan 0.000 0.504 1235 T N -0.966 113.575 114.554 -0.022 0.000 2.868 1235 T HA 0.473 4.823 4.350 -0.001 0.000 0.306 1235 T C -1.264 173.428 174.700 -0.014 0.000 1.224 1235 T CA -0.638 61.450 62.100 -0.021 0.000 1.012 1235 T CB 1.696 70.566 68.868 0.002 0.000 1.221 1235 T HN -0.194 nan 8.240 nan 0.000 0.499 1236 V N 3.410 123.302 119.914 -0.037 0.000 2.509 1236 V HA 0.451 4.570 4.120 -0.001 0.000 0.284 1236 V C 0.658 176.765 176.094 0.022 0.000 1.047 1236 V CA -0.435 61.853 62.300 -0.021 0.000 0.952 1236 V CB 1.550 33.316 31.823 -0.096 0.000 0.988 1236 V HN 1.061 nan 8.190 nan 0.000 0.469 1237 T N 6.612 121.204 114.554 0.064 0.000 2.771 1237 T HA 0.544 4.894 4.350 -0.001 0.000 0.291 1237 T C -0.424 174.325 174.700 0.081 0.000 0.954 1237 T CA -0.304 61.849 62.100 0.090 0.000 1.045 1237 T CB 0.720 69.674 68.868 0.143 0.000 0.917 1237 T HN 0.179 nan 8.240 nan 0.000 0.484 1238 L N 2.898 124.133 121.223 0.020 0.000 2.331 1238 L HA 0.892 5.231 4.340 -0.001 0.000 0.275 1238 L C 0.736 177.466 176.870 -0.233 0.000 1.022 1238 L CA 0.131 54.921 54.840 -0.084 0.000 0.812 1238 L CB 1.484 43.515 42.059 -0.048 0.000 1.257 1238 L HN 0.910 nan 8.230 nan 0.000 0.435 1239 G N -0.243 108.184 108.800 -0.622 0.000 2.570 1239 G HA2 0.554 4.514 3.960 -0.001 0.000 0.310 1239 G HA3 0.554 4.514 3.960 -0.001 0.000 0.310 1239 G C -0.418 173.826 174.900 -1.093 0.000 1.266 1239 G CA 0.094 44.587 45.100 -1.012 0.000 0.825 1239 G HN 1.013 nan 8.290 nan 0.000 0.483 1240 G N -0.937 107.364 108.800 -0.831 0.000 2.325 1240 G HA2 0.143 4.103 3.960 -0.001 0.000 0.214 1240 G HA3 0.143 4.103 3.960 -0.001 0.000 0.214 1240 G C -0.510 174.423 174.900 0.055 0.000 1.087 1240 G CA -0.068 44.919 45.100 -0.188 0.000 0.811 1240 G HN 0.860 nan 8.290 nan 0.000 0.486 1241 I N 0.635 121.294 120.570 0.149 0.000 2.500 1241 I HA 0.539 4.709 4.170 -0.001 0.000 0.286 1241 I C -1.234 175.028 176.117 0.241 0.000 1.063 1241 I CA -0.982 60.413 61.300 0.158 0.000 1.062 1241 I CB 1.785 39.823 38.000 0.063 0.000 1.223 1241 I HN 0.108 nan 8.210 nan 0.000 0.435 1242 F N 6.354 126.374 119.950 0.117 0.000 2.507 1242 F HA 0.511 5.037 4.527 -0.001 0.000 0.328 1242 F C -0.932 174.914 175.800 0.077 0.000 1.136 1242 F CA -0.280 57.790 58.000 0.117 0.000 0.930 1242 F CB 1.563 40.691 39.000 0.214 0.000 1.166 1242 F HN 0.352 nan 8.300 nan 0.000 0.436 1243 Q N 7.017 126.772 119.800 -0.076 0.000 2.414 1243 Q HA 0.384 4.724 4.340 -0.001 0.000 0.256 1243 Q C -1.125 174.779 176.000 -0.160 0.000 0.974 1243 Q CA -0.583 55.230 55.803 0.017 0.000 0.723 1243 Q CB 2.413 31.160 28.738 0.015 0.000 1.281 1243 Q HN 0.678 nan 8.270 nan 0.000 0.470 1244 L N 1.532 122.774 121.223 0.032 0.000 2.455 1244 L HA 0.202 4.541 4.340 -0.001 0.000 0.272 1244 L C 1.191 178.030 176.870 -0.052 0.000 1.174 1244 L CA 1.135 55.967 54.840 -0.012 0.000 0.869 1244 L CB 0.388 42.573 42.059 0.209 0.000 1.130 1244 L HN 1.066 nan 8.230 nan 0.000 0.474 1245 G N 2.437 111.135 108.800 -0.170 0.000 2.234 1245 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.235 1245 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.235 1245 G C 0.345 175.151 174.900 -0.158 0.000 0.997 1245 G CA -0.067 44.955 45.100 -0.130 0.000 0.623 1245 G HN 0.611 nan 8.290 nan 0.000 0.514 1246 N N 0.175 118.781 118.700 -0.157 0.000 2.442 1246 N HA 0.344 5.083 4.740 -0.001 0.000 0.265 1246 N C 0.130 175.578 175.510 -0.105 0.000 1.138 1246 N CA -0.421 52.608 53.050 -0.036 0.000 0.956 1246 N CB 0.213 38.719 38.487 0.032 0.000 1.067 1246 N HN 0.378 nan 8.380 nan 0.000 0.474 1247 W N 1.712 123.003 121.300 -0.015 0.000 2.966 1247 W HA 0.261 4.920 4.660 -0.001 0.000 0.406 1247 W C 0.767 177.345 176.519 0.099 0.000 1.027 1247 W CA -0.495 56.725 57.345 -0.209 0.000 1.930 1247 W CB 0.366 29.679 29.460 -0.246 0.000 1.144 1247 W HN 0.390 nan 8.180 nan 0.000 0.626 1248 S N 1.715 117.679 115.700 0.439 0.000 2.405 1248 S HA 0.039 4.508 4.470 -0.001 0.000 0.291 1248 S C 0.260 175.137 174.600 0.461 0.000 1.137 1248 S CA -0.237 58.189 58.200 0.376 0.000 1.061 1248 S CB 0.187 63.515 63.200 0.215 0.000 1.001 1248 S HN 0.256 nan 8.310 nan 0.000 0.507 1249 E N 4.749 125.258 120.200 0.516 0.000 1.979 1249 E HA 0.328 4.677 4.350 -0.001 0.000 0.285 1249 E C -0.967 175.716 176.600 0.138 0.000 1.188 1249 E CA -0.248 56.325 56.400 0.288 0.000 1.214 1249 E CB 0.002 29.958 29.700 0.428 0.000 1.210 1249 E HN 0.513 nan 8.360 nan 0.000 0.477 1250 L N 2.951 124.223 121.223 0.082 0.000 2.588 1250 L HA 0.351 4.691 4.340 -0.001 0.000 0.263 1250 L C -1.456 175.434 176.870 0.033 0.000 0.935 1250 L CA -0.739 54.137 54.840 0.060 0.000 0.891 1250 L CB 1.592 43.697 42.059 0.078 0.000 1.318 1250 L HN 0.091 nan 8.230 nan 0.000 0.409 1251 N N 2.856 121.568 118.700 0.021 0.000 2.412 1251 N HA 0.078 4.817 4.740 -0.001 0.000 0.254 1251 N C -0.597 174.931 175.510 0.030 0.000 1.232 1251 N CA 0.300 53.363 53.050 0.022 0.000 0.880 1251 N CB 0.382 38.884 38.487 0.026 0.000 1.076 1251 N HN 0.659 nan 8.380 nan 0.000 0.458 1252 N N 1.769 120.493 118.700 0.042 0.000 2.392 1252 N HA 0.227 4.966 4.740 -0.001 0.000 0.283 1252 N C 0.910 176.456 175.510 0.060 0.000 1.003 1252 N CA -0.528 52.549 53.050 0.046 0.000 0.892 1252 N CB 0.742 39.259 38.487 0.050 0.000 1.193 1252 N HN 0.356 nan 8.380 nan 0.000 0.487 1253 I N 1.936 122.525 120.570 0.032 0.000 2.567 1253 I HA -0.138 4.032 4.170 -0.001 0.000 0.257 1253 I C 1.678 177.839 176.117 0.073 0.000 1.184 1253 I CA 1.149 62.459 61.300 0.017 0.000 1.451 1253 I CB -0.281 37.698 38.000 -0.035 0.000 1.089 1253 I HN 0.738 nan 8.210 nan 0.000 0.441 1254 Q N 0.260 120.103 119.800 0.071 0.000 2.163 1254 Q HA -0.117 4.223 4.340 -0.001 0.000 0.198 1254 Q C 1.665 177.723 176.000 0.097 0.000 0.954 1254 Q CA 1.097 56.947 55.803 0.078 0.000 0.851 1254 Q CB 0.020 28.794 28.738 0.059 0.000 0.928 1254 Q HN 0.414 nan 8.270 nan 0.000 0.459 1255 D N -0.516 119.938 120.400 0.091 0.000 2.104 1255 D HA -0.168 4.471 4.640 -0.001 0.000 0.194 1255 D C 1.761 178.123 176.300 0.103 0.000 0.994 1255 D CA 1.493 55.541 54.000 0.082 0.000 0.830 1255 D CB -0.383 40.453 40.800 0.061 0.000 0.959 1255 D HN 0.419 nan 8.370 nan 0.000 0.452 1256 H N 1.318 120.407 119.070 0.032 0.000 2.296 1256 H HA -0.196 4.360 4.556 -0.001 0.000 0.291 1256 H C 1.808 177.194 175.328 0.096 0.000 1.074 1256 H CA 2.608 58.683 56.048 0.044 0.000 1.176 1256 H CB -0.112 29.655 29.762 0.009 0.000 1.357 1256 H HN 0.006 nan 8.280 nan 0.000 0.520 1257 N N -0.249 118.636 118.700 0.308 0.000 2.037 1257 N HA -0.185 4.555 4.740 -0.001 0.000 0.196 1257 N C 2.004 177.609 175.510 0.157 0.000 1.034 1257 N CA 2.113 55.315 53.050 0.253 0.000 0.861 1257 N CB -1.101 37.511 38.487 0.209 0.000 1.039 1257 N HN 0.509 nan 8.380 nan 0.000 0.427 1258 T N 2.865 117.482 114.554 0.106 0.000 2.624 1258 T HA -0.117 4.232 4.350 -0.001 0.000 0.268 1258 T C 2.015 176.731 174.700 0.027 0.000 1.041 1258 T CA 1.107 63.245 62.100 0.063 0.000 1.159 1258 T CB -0.232 68.668 68.868 0.053 0.000 0.863 1258 T HN 0.129 nan 8.240 nan 0.000 0.434 1259 I N 0.050 120.621 120.570 0.003 0.000 2.099 1259 I HA -0.195 3.974 4.170 -0.001 0.000 0.239 1259 I C 2.374 178.474 176.117 -0.029 0.000 1.066 1259 I CA 1.496 62.764 61.300 -0.055 0.000 1.324 1259 I CB -1.285 36.664 38.000 -0.084 0.000 1.037 1259 I HN 0.539 nan 8.210 nan 0.000 0.401 1260 W N 2.064 123.244 121.300 -0.200 0.000 2.338 1260 W HA -0.263 4.396 4.660 -0.001 0.000 0.304 1260 W C 2.371 178.847 176.519 -0.072 0.000 1.212 1260 W CA 1.822 59.066 57.345 -0.168 0.000 1.264 1260 W CB -0.088 29.229 29.460 -0.238 0.000 1.142 1260 W HN 0.189 nan 8.180 nan 0.000 0.512 1261 E N -0.254 119.967 120.200 0.034 0.000 2.047 1261 E HA -0.076 4.273 4.350 -0.001 0.000 0.191 1261 E C 2.483 179.026 176.600 -0.095 0.000 0.987 1261 E CA 2.045 58.428 56.400 -0.028 0.000 0.799 1261 E CB -1.038 28.707 29.700 0.076 0.000 0.752 1261 E HN 0.269 nan 8.360 nan 0.000 0.449 1262 G N -0.465 108.296 108.800 -0.065 0.000 2.422 1262 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.218 1262 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.218 1262 G C 1.710 176.546 174.900 -0.106 0.000 1.146 1262 G CA 1.091 46.155 45.100 -0.060 0.000 0.769 1262 G HN 0.371 nan 8.290 nan 0.000 0.547 1263 C N -0.339 118.852 119.300 -0.182 0.000 2.485 1263 C HA 0.067 4.527 4.460 -0.001 0.000 0.278 1263 C C 3.010 177.851 174.990 -0.249 0.000 1.356 1263 C CA 0.254 59.147 59.018 -0.207 0.000 1.747 1263 C CB -0.988 26.614 27.740 -0.229 0.000 2.001 1263 C HN 0.572 nan 8.230 nan 0.000 0.501 1264 C N 0.282 119.348 119.300 -0.390 0.000 2.432 1264 C HA -0.051 4.409 4.460 -0.001 0.000 0.282 1264 C C 2.835 177.729 174.990 -0.160 0.000 1.388 1264 C CA 0.940 59.741 59.018 -0.362 0.000 1.777 1264 C CB -1.332 26.092 27.740 -0.528 0.000 1.882 1264 C HN 0.577 nan 8.230 nan 0.000 0.520 1265 R N 0.600 121.035 120.500 -0.107 0.000 2.075 1265 R HA 0.080 4.419 4.340 -0.001 0.000 0.226 1265 R C 2.071 178.388 176.300 0.027 0.000 1.114 1265 R CA 1.068 57.154 56.100 -0.023 0.000 0.972 1265 R CB -0.687 29.615 30.300 0.003 0.000 0.869 1265 R HN 0.478 nan 8.270 nan 0.000 0.437 1266 L N -0.370 120.865 121.223 0.021 0.000 1.994 1266 L HA -0.102 4.238 4.340 -0.001 0.000 0.208 1266 L C 0.023 176.966 176.870 0.122 0.000 1.071 1266 L CA 1.388 56.273 54.840 0.074 0.000 0.745 1266 L CB 0.060 42.106 42.059 -0.021 0.000 0.892 1266 L HN 0.187 nan 8.230 nan 0.000 0.431 1267 E N -1.278 118.950 120.200 0.047 0.000 2.460 1267 E HA 0.205 4.554 4.350 -0.001 0.000 0.249 1267 E C -2.057 174.553 176.600 0.017 0.000 0.962 1267 E CA -1.812 54.626 56.400 0.063 0.000 0.787 1267 E CB 1.469 31.226 29.700 0.094 0.000 1.341 1267 E HN -0.086 nan 8.360 nan 0.000 0.407 1268 P HA -0.181 nan 4.420 nan 0.000 0.218 1268 P C 1.086 178.403 177.300 0.028 0.000 1.146 1268 P CA 1.665 64.761 63.100 -0.006 0.000 0.813 1268 P CB 0.101 31.799 31.700 -0.004 0.000 0.778 1269 T N -3.373 111.239 114.554 0.096 0.000 2.929 1269 T HA -0.110 4.239 4.350 -0.001 0.000 0.271 1269 T C 1.672 176.567 174.700 0.326 0.000 1.085 1269 T CA 0.661 62.877 62.100 0.193 0.000 1.125 1269 T CB -0.935 68.122 68.868 0.315 0.000 0.874 1269 T HN -0.106 nan 8.240 nan 0.000 0.494 1270 L N 0.802 122.128 121.223 0.171 0.000 2.265 1270 L HA 0.161 4.500 4.340 -0.001 0.000 0.215 1270 L C 2.498 179.370 176.870 0.003 0.000 1.117 1270 L CA 1.404 56.278 54.840 0.056 0.000 0.782 1270 L CB -1.340 40.606 42.059 -0.188 0.000 0.914 1270 L HN 0.296 nan 8.230 nan 0.000 0.441 1271 K N -0.038 120.354 120.400 -0.013 0.000 2.281 1271 K HA -0.115 4.205 4.320 -0.001 0.000 0.203 1271 K C 1.322 178.090 176.600 0.281 0.000 1.046 1271 K CA 1.005 57.331 56.287 0.066 0.000 0.938 1271 K CB 0.010 32.541 32.500 0.052 0.000 0.737 1271 K HN 0.303 nan 8.250 nan 0.000 0.458 1272 N N -0.233 118.625 118.700 0.264 0.000 2.338 1272 N HA 0.144 4.883 4.740 -0.001 0.000 0.251 1272 N C -1.222 174.507 175.510 0.365 0.000 1.199 1272 N CA -0.038 53.175 53.050 0.271 0.000 0.879 1272 N CB 1.075 39.653 38.487 0.151 0.000 1.159 1272 N HN 0.060 nan 8.380 nan 0.000 0.514 1273 A N 0.959 124.040 122.820 0.435 0.000 2.327 1273 A HA 0.480 4.800 4.320 -0.001 0.000 0.283 1273 A C 0.286 178.056 177.584 0.310 0.000 1.127 1273 A CA -0.334 51.931 52.037 0.380 0.000 0.810 1273 A CB 0.858 20.014 19.000 0.259 0.000 1.066 1273 A HN 0.140 nan 8.150 nan 0.000 0.492 1274 R N 1.596 122.216 120.500 0.200 0.000 2.265 1274 R HA 0.422 4.761 4.340 -0.001 0.000 0.314 1274 R C -0.550 175.801 176.300 0.086 0.000 1.053 1274 R CA -0.477 55.696 56.100 0.120 0.000 0.931 1274 R CB -0.031 30.325 30.300 0.093 0.000 1.024 1274 R HN 0.648 nan 8.270 nan 0.000 0.457 1275 I N 6.060 126.650 120.570 0.033 0.000 2.396 1275 I HA 0.022 4.191 4.170 -0.001 0.000 0.289 1275 I C 0.741 176.869 176.117 0.019 0.000 1.056 1275 I CA -0.028 61.283 61.300 0.019 0.000 1.365 1275 I CB 0.783 38.748 38.000 -0.058 0.000 1.407 1275 I HN 0.629 nan 8.210 nan 0.000 0.509 1276 I N 4.571 125.159 120.570 0.030 0.000 2.947 1276 I HA 0.250 4.420 4.170 -0.001 0.000 0.263 1276 I C 1.168 177.298 176.117 0.022 0.000 1.130 1276 I CA 0.615 61.929 61.300 0.023 0.000 1.448 1276 I CB 0.085 38.099 38.000 0.024 0.000 1.222 1276 I HN 0.629 nan 8.210 nan 0.000 0.453 1277 G N -0.686 108.131 108.800 0.029 0.000 2.798 1277 G HA2 0.675 4.634 3.960 -0.001 0.000 0.286 1277 G HA3 0.675 4.634 3.960 -0.001 0.000 0.286 1277 G C -1.578 173.344 174.900 0.037 0.000 1.389 1277 G CA -0.191 44.926 45.100 0.029 0.000 0.894 1277 G HN -0.037 nan 8.290 nan 0.000 0.488 1278 E N -0.670 119.550 120.200 0.035 0.000 2.343 1278 E HA 0.599 4.948 4.350 -0.001 0.000 0.286 1278 E C -1.109 175.506 176.600 0.025 0.000 0.915 1278 E CA -0.674 55.751 56.400 0.042 0.000 0.784 1278 E CB 1.384 31.123 29.700 0.064 0.000 1.251 1278 E HN 0.348 nan 8.360 nan 0.000 0.407 1279 R N 2.184 122.691 120.500 0.012 0.000 2.604 1279 R HA 0.525 4.864 4.340 -0.001 0.000 0.270 1279 R C -1.211 175.063 176.300 -0.045 0.000 1.052 1279 R CA -0.739 55.355 56.100 -0.009 0.000 0.902 1279 R CB 2.029 32.328 30.300 -0.002 0.000 1.233 1279 R HN 0.645 nan 8.270 nan 0.000 0.455 1280 T N 0.136 114.638 114.554 -0.087 0.000 2.945 1280 T HA 0.859 5.208 4.350 -0.001 0.000 0.286 1280 T C -0.149 174.369 174.700 -0.304 0.000 1.025 1280 T CA -0.525 61.462 62.100 -0.189 0.000 1.039 1280 T CB 1.973 70.721 68.868 -0.200 0.000 1.068 1280 T HN 0.685 nan 8.240 nan 0.000 0.497 1281 G N 0.533 109.034 108.800 -0.500 0.000 2.646 1281 G HA2 0.602 4.561 3.960 -0.001 0.000 0.291 1281 G HA3 0.602 4.561 3.960 -0.001 0.000 0.291 1281 G C -2.140 172.279 174.900 -0.801 0.000 1.445 1281 G CA -0.699 44.057 45.100 -0.573 0.000 0.814 1281 G HN 0.470 nan 8.290 nan 0.000 0.495 1282 F N 0.941 120.766 119.950 -0.208 0.000 2.434 1282 F HA 0.502 5.029 4.527 -0.001 0.000 0.355 1282 F C 0.837 176.409 175.800 -0.379 0.000 1.115 1282 F CA -0.927 56.846 58.000 -0.378 0.000 1.010 1282 F CB 1.842 40.521 39.000 -0.535 0.000 1.234 1282 F HN 0.119 nan 8.300 nan 0.000 0.439 1283 R N 4.161 124.528 120.500 -0.221 0.000 2.421 1283 R HA 0.171 4.510 4.340 -0.001 0.000 0.305 1283 R C -2.319 173.859 176.300 -0.204 0.000 1.039 1283 R CA -1.507 54.463 56.100 -0.218 0.000 1.003 1283 R CB 0.067 30.216 30.300 -0.251 0.000 0.959 1283 R HN 0.243 nan 8.270 nan 0.000 0.427 1284 P HA -0.006 nan 4.420 nan 0.000 0.259 1284 P C -0.337 176.952 177.300 -0.018 0.000 1.635 1284 P CA 0.076 63.115 63.100 -0.102 0.000 1.199 1284 P CB 0.189 31.885 31.700 -0.006 0.000 1.850 1285 V N 4.895 124.797 119.914 -0.021 0.000 2.508 1285 V HA 0.251 4.371 4.120 -0.001 0.000 0.281 1285 V C 1.002 177.165 176.094 0.115 0.000 1.041 1285 V CA 0.191 62.551 62.300 0.100 0.000 1.016 1285 V CB 0.214 32.130 31.823 0.156 0.000 0.984 1285 V HN 0.440 nan 8.190 nan 0.000 0.478 1286 R N 3.751 124.345 120.500 0.156 0.000 2.707 1286 R HA 0.381 4.720 4.340 -0.001 0.000 0.272 1286 R C -2.026 174.369 176.300 0.159 0.000 1.011 1286 R CA -1.504 54.682 56.100 0.142 0.000 0.893 1286 R CB 2.329 32.706 30.300 0.129 0.000 1.233 1286 R HN 0.370 nan 8.270 nan 0.000 0.464 1287 P HA -0.193 nan 4.420 nan 0.000 0.217 1287 P C -0.820 176.561 177.300 0.135 0.000 1.148 1287 P CA 1.302 64.471 63.100 0.115 0.000 0.834 1287 P CB 0.217 31.963 31.700 0.078 0.000 0.783 1288 Q N -3.079 116.792 119.800 0.119 0.000 2.647 1288 Q HA 0.352 4.692 4.340 -0.001 0.000 0.283 1288 Q C -1.044 174.991 176.000 0.058 0.000 0.943 1288 Q CA -0.933 54.943 55.803 0.122 0.000 0.813 1288 Q CB 0.342 29.131 28.738 0.085 0.000 1.477 1288 Q HN -0.184 nan 8.270 nan 0.000 0.393 1289 I N 1.699 122.300 120.570 0.051 0.000 2.752 1289 I HA -0.014 4.156 4.170 -0.001 0.000 0.289 1289 I C 0.532 176.587 176.117 -0.102 0.000 1.197 1289 I CA 0.344 61.575 61.300 -0.115 0.000 1.432 1289 I CB 0.197 38.134 38.000 -0.106 0.000 1.359 1289 I HN 0.452 nan 8.210 nan 0.000 0.571 1290 R N 6.744 127.079 120.500 -0.274 0.000 2.220 1290 R HA 0.340 4.679 4.340 -0.001 0.000 0.340 1290 R C -1.286 174.871 176.300 -0.238 0.000 1.076 1290 R CA -0.631 55.295 56.100 -0.291 0.000 0.920 1290 R CB 0.466 30.436 30.300 -0.550 0.000 1.062 1290 R HN 0.424 nan 8.270 nan 0.000 0.469 1291 L N 5.883 127.062 121.223 -0.072 0.000 2.490 1291 L HA 0.340 4.679 4.340 -0.001 0.000 0.256 1291 L C -1.315 175.566 176.870 0.019 0.000 1.089 1291 L CA -0.094 54.722 54.840 -0.040 0.000 0.916 1291 L CB 0.826 42.833 42.059 -0.088 0.000 1.188 1291 L HN 0.749 nan 8.230 nan 0.000 0.476 1292 E N 2.586 122.800 120.200 0.023 0.000 2.407 1292 E HA 0.531 4.880 4.350 -0.001 0.000 0.279 1292 E C -1.154 175.489 176.600 0.073 0.000 1.012 1292 E CA -1.100 55.322 56.400 0.037 0.000 0.800 1292 E CB 1.714 31.419 29.700 0.009 0.000 1.276 1292 E HN 0.336 nan 8.360 nan 0.000 0.452 1293 R N 0.197 120.728 120.500 0.052 0.000 2.574 1293 R HA 0.484 4.824 4.340 -0.001 0.000 0.266 1293 R C -0.339 175.999 176.300 0.064 0.000 1.157 1293 R CA -0.494 55.637 56.100 0.052 0.000 1.187 1293 R CB 0.617 30.925 30.300 0.013 0.000 1.179 1293 R HN 0.719 nan 8.270 nan 0.000 0.600 1294 E N 0.582 120.806 120.200 0.040 0.000 2.647 1294 E HA 0.025 4.375 4.350 -0.001 0.000 0.320 1294 E C -1.761 174.832 176.600 -0.011 0.000 0.951 1294 E CA -0.352 56.064 56.400 0.027 0.000 0.809 1294 E CB 1.223 30.971 29.700 0.080 0.000 1.295 1294 E HN 0.347 nan 8.360 nan 0.000 0.407 1295 Q N 2.821 122.614 119.800 -0.012 0.000 2.307 1295 Q HA 0.292 4.632 4.340 -0.001 0.000 0.261 1295 Q C -0.719 175.273 176.000 -0.013 0.000 1.051 1295 Q CA -0.045 55.745 55.803 -0.020 0.000 0.911 1295 Q CB 0.837 29.565 28.738 -0.015 0.000 1.227 1295 Q HN 0.442 nan 8.270 nan 0.000 0.418 1296 L N 3.921 125.129 121.223 -0.026 0.000 2.261 1296 L HA 0.287 4.627 4.340 -0.001 0.000 0.289 1296 L C -0.576 176.301 176.870 0.011 0.000 1.059 1296 L CA 0.034 54.872 54.840 -0.003 0.000 0.816 1296 L CB 0.423 42.470 42.059 -0.020 0.000 1.191 1296 L HN 0.492 nan 8.230 nan 0.000 0.431 1297 R N 3.658 124.171 120.500 0.022 0.000 2.248 1297 R HA 0.213 4.552 4.340 -0.001 0.000 0.337 1297 R C 0.427 176.743 176.300 0.026 0.000 1.085 1297 R CA -0.026 56.084 56.100 0.018 0.000 0.934 1297 R CB 0.846 31.155 30.300 0.016 0.000 1.034 1297 R HN 0.760 nan 8.270 nan 0.000 0.465 1298 T N 0.844 115.411 114.554 0.021 0.000 3.160 1298 T HA 0.345 4.695 4.350 -0.001 0.000 0.251 1298 T C 1.417 176.127 174.700 0.018 0.000 1.088 1298 T CA 0.253 62.368 62.100 0.025 0.000 1.119 1298 T CB 0.245 69.129 68.868 0.028 0.000 2.590 1298 T HN 0.522 nan 8.240 nan 0.000 0.482 1299 G N 1.364 110.173 108.800 0.015 0.000 2.781 1299 G HA2 0.159 4.118 3.960 -0.001 0.000 0.157 1299 G HA3 0.159 4.118 3.960 -0.001 0.000 0.157 1299 G C -0.838 174.066 174.900 0.007 0.000 1.823 1299 G CA 0.736 45.843 45.100 0.010 0.000 0.932 1299 G HN 0.642 nan 8.290 nan 0.000 0.398 1300 P HA -0.030 nan 4.420 nan 0.000 0.205 1300 P C 1.471 178.771 177.300 0.000 0.000 1.193 1300 P CA 1.925 65.026 63.100 0.002 0.000 0.929 1300 P CB -0.560 31.140 31.700 0.000 0.000 0.772 1301 S N 0.155 115.854 115.700 -0.002 0.000 2.607 1301 S HA 0.335 4.805 4.470 -0.001 0.000 0.272 1301 S C 0.231 174.829 174.600 -0.003 0.000 1.166 1301 S CA -0.606 57.592 58.200 -0.005 0.000 1.021 1301 S CB -0.150 63.045 63.200 -0.009 0.000 1.113 1301 S HN 0.386 nan 8.310 nan 0.000 0.531 1302 N N -1.229 117.466 118.700 -0.007 0.000 2.405 1302 N HA 0.587 5.327 4.740 -0.001 0.000 0.285 1302 N C -1.131 174.371 175.510 -0.014 0.000 1.262 1302 N CA -0.662 52.385 53.050 -0.006 0.000 0.773 1302 N CB 1.143 39.627 38.487 -0.005 0.000 1.490 1302 N HN 0.805 nan 8.380 nan 0.000 0.486 1303 T N -2.590 111.955 114.554 -0.015 0.000 2.945 1303 T HA 0.506 4.856 4.350 -0.001 0.000 0.286 1303 T C -0.547 174.126 174.700 -0.045 0.000 1.025 1303 T CA -0.878 61.207 62.100 -0.025 0.000 1.039 1303 T CB 1.298 70.157 68.868 -0.014 0.000 1.068 1303 T HN 0.419 nan 8.240 nan 0.000 0.497 1304 E N 1.254 121.423 120.200 -0.052 0.000 2.156 1304 E HA 0.460 4.810 4.350 -0.001 0.000 0.279 1304 E C -0.981 175.563 176.600 -0.093 0.000 0.965 1304 E CA -0.652 55.711 56.400 -0.063 0.000 0.789 1304 E CB 2.073 31.741 29.700 -0.055 0.000 1.098 1304 E HN 0.455 nan 8.360 nan 0.000 0.397 1305 V N 5.350 125.182 119.914 -0.137 0.000 2.326 1305 V HA 0.307 4.427 4.120 -0.001 0.000 0.281 1305 V C 0.227 176.218 176.094 -0.171 0.000 1.015 1305 V CA -0.583 61.563 62.300 -0.257 0.000 0.823 1305 V CB 0.780 32.281 31.823 -0.537 0.000 1.009 1305 V HN 0.544 nan 8.190 nan 0.000 0.436 1306 I N 4.871 125.365 120.570 -0.127 0.000 2.337 1306 I HA 0.309 4.478 4.170 -0.001 0.000 0.291 1306 I C 0.088 176.150 176.117 -0.093 0.000 1.046 1306 I CA -0.298 60.974 61.300 -0.046 0.000 1.324 1306 I CB 0.335 38.336 38.000 0.001 0.000 1.409 1306 I HN 0.589 nan 8.210 nan 0.000 0.494 1307 H N 4.915 123.976 119.070 -0.015 0.000 2.502 1307 H HA 0.340 4.896 4.556 0.000 0.000 0.327 1307 H C -0.069 175.245 175.328 -0.024 0.000 1.099 1307 H CA -0.189 55.878 56.048 0.032 0.000 1.323 1307 H CB 0.816 30.577 29.762 -0.001 0.000 1.450 1307 H HN 0.433 nan 8.280 nan 0.000 0.502 1308 N N 2.902 121.699 118.700 0.161 0.000 2.751 1308 N HA 0.090 4.830 4.740 -0.001 0.000 0.238 1308 N C -1.986 173.718 175.510 0.323 0.000 1.351 1308 N CA -0.561 52.565 53.050 0.126 0.000 0.751 1308 N CB 0.082 38.628 38.487 0.099 0.000 1.342 1308 N HN 0.557 nan 8.380 nan 0.000 0.540 1309 Y N -1.232 119.202 120.300 0.224 0.000 2.705 1309 Y HA 0.722 5.271 4.550 -0.001 0.000 0.332 1309 Y C 0.686 176.597 175.900 0.018 0.000 1.221 1309 Y CA -0.810 57.433 58.100 0.237 0.000 1.059 1309 Y CB 0.755 39.338 38.460 0.204 0.000 1.298 1309 Y HN 0.219 nan 8.280 nan 0.000 0.459 1310 G N 0.619 109.630 108.800 0.351 0.000 2.140 1310 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.211 1310 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.211 1310 G C -0.306 174.545 174.900 -0.081 0.000 1.013 1310 G CA 0.260 45.441 45.100 0.136 0.000 0.705 1310 G HN 1.044 nan 8.290 nan 0.000 0.508 1311 H N 0.068 119.083 119.070 -0.092 0.000 2.543 1311 H HA 0.405 4.961 4.556 -0.000 0.000 0.269 1311 H C 2.317 177.245 175.328 -0.666 0.000 1.005 1311 H CA 1.257 57.077 56.048 -0.379 0.000 1.146 1311 H CB 0.094 29.694 29.762 -0.271 0.000 1.353 1311 H HN 1.124 nan 8.280 nan 0.000 0.595 1312 G N 0.779 109.458 108.800 -0.203 0.000 2.692 1312 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.339 1312 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.339 1312 G C 1.436 176.213 174.900 -0.205 0.000 1.226 1312 G CA 0.627 45.657 45.100 -0.117 0.000 0.979 1312 G HN 0.607 nan 8.290 nan 0.000 0.549 1313 G N -0.688 108.027 108.800 -0.141 0.000 3.575 1313 G HA2 0.517 4.477 3.960 -0.001 0.000 0.273 1313 G HA3 0.517 4.477 3.960 -0.001 0.000 0.273 1313 G C 0.473 175.312 174.900 -0.102 0.000 1.053 1313 G CA 1.113 46.040 45.100 -0.288 0.000 0.803 1313 G HN 1.431 nan 8.290 nan 0.000 0.528 1314 Y N -3.318 116.922 120.300 -0.099 0.000 2.768 1314 Y HA 0.420 4.969 4.550 -0.001 0.000 0.249 1314 Y C 1.597 177.448 175.900 -0.082 0.000 1.146 1314 Y CA -0.886 57.116 58.100 -0.163 0.000 1.171 1314 Y CB -0.140 38.131 38.460 -0.315 0.000 1.249 1314 Y HN -0.064 nan 8.280 nan 0.000 0.567 1315 G N 2.248 110.939 108.800 -0.182 0.000 2.574 1315 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.220 1315 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.220 1315 G C 1.377 176.299 174.900 0.038 0.000 1.173 1315 G CA 1.798 46.842 45.100 -0.094 0.000 0.772 1315 G HN 0.330 nan 8.290 nan 0.000 0.585 1316 L N 0.682 121.930 121.223 0.042 0.000 2.027 1316 L HA -0.047 4.293 4.340 -0.001 0.000 0.206 1316 L C 3.150 180.144 176.870 0.206 0.000 1.074 1316 L CA 2.102 57.033 54.840 0.152 0.000 0.745 1316 L CB -1.790 40.294 42.059 0.041 0.000 0.898 1316 L HN 0.223 nan 8.230 nan 0.000 0.433 1317 T N -0.174 114.377 114.554 -0.006 0.000 2.802 1317 T HA -0.223 4.127 4.350 -0.001 0.000 0.269 1317 T C 1.839 176.504 174.700 -0.058 0.000 1.062 1317 T CA 1.536 63.457 62.100 -0.298 0.000 1.133 1317 T CB -0.043 68.406 68.868 -0.698 0.000 0.852 1317 T HN 0.238 nan 8.240 nan 0.000 0.485 1318 I N -0.335 120.307 120.570 0.120 0.000 4.403 1318 I HA 0.101 4.270 4.170 -0.001 0.000 0.331 1318 I C 1.990 178.218 176.117 0.185 0.000 1.327 1318 I CA -0.017 61.417 61.300 0.223 0.000 1.175 1318 I CB 0.215 38.445 38.000 0.383 0.000 1.165 1318 I HN 0.302 nan 8.210 nan 0.000 0.413 1319 H N -0.203 118.967 119.070 0.167 0.000 2.321 1319 H HA -0.322 4.234 4.556 -0.001 0.000 0.295 1319 H C 2.022 177.457 175.328 0.179 0.000 1.102 1319 H CA 2.418 58.538 56.048 0.119 0.000 1.266 1319 H CB -0.970 28.880 29.762 0.147 0.000 1.363 1319 H HN 0.515 nan 8.280 nan 0.000 0.492 1320 W N 2.534 123.415 121.300 -0.699 0.000 2.388 1320 W HA -0.065 4.595 4.660 -0.001 0.000 0.294 1320 W C 2.424 178.820 176.519 -0.206 0.000 1.212 1320 W CA 1.317 58.417 57.345 -0.408 0.000 1.271 1320 W CB -0.339 28.836 29.460 -0.474 0.000 1.126 1320 W HN 0.469 nan 8.180 nan 0.000 0.535 1321 G N 0.573 109.348 108.800 -0.042 0.000 2.480 1321 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.216 1321 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.216 1321 G C 1.491 176.050 174.900 -0.568 0.000 1.200 1321 G CA 1.648 46.681 45.100 -0.111 0.000 0.782 1321 G HN 0.318 nan 8.290 nan 0.000 0.554 1322 C N 1.055 120.027 119.300 -0.546 0.000 2.393 1322 C HA 0.057 4.516 4.460 -0.001 0.000 0.276 1322 C C 3.568 178.279 174.990 -0.466 0.000 1.215 1322 C CA 1.041 59.659 59.018 -0.667 0.000 1.743 1322 C CB -1.191 26.425 27.740 -0.206 0.000 2.044 1322 C HN 0.594 nan 8.230 nan 0.000 0.464 1323 A N 0.416 123.033 122.820 -0.340 0.000 1.892 1323 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 1323 A C 2.132 179.446 177.584 -0.448 0.000 1.188 1323 A CA 1.837 53.667 52.037 -0.346 0.000 0.631 1323 A CB -0.766 18.030 19.000 -0.340 0.000 0.822 1323 A HN 0.637 nan 8.150 nan 0.000 0.447 1324 L N -1.011 119.850 121.223 -0.603 0.000 2.079 1324 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 1324 L C 2.677 179.383 176.870 -0.272 0.000 1.081 1324 L CA 1.768 56.323 54.840 -0.475 0.000 0.752 1324 L CB -0.436 41.334 42.059 -0.481 0.000 0.896 1324 L HN 0.527 nan 8.230 nan 0.000 0.433 1325 E N 0.498 120.501 120.200 -0.328 0.000 2.072 1325 E HA -0.187 4.162 4.350 -0.001 0.000 0.191 1325 E C 2.109 178.630 176.600 -0.132 0.000 0.985 1325 E CA 1.478 57.746 56.400 -0.221 0.000 0.801 1325 E CB -0.093 29.347 29.700 -0.434 0.000 0.750 1325 E HN 0.357 nan 8.360 nan 0.000 0.452 1326 A N 0.546 123.264 122.820 -0.170 0.000 1.969 1326 A HA 0.043 4.362 4.320 -0.001 0.000 0.218 1326 A C 2.369 179.963 177.584 0.017 0.000 1.169 1326 A CA 1.733 53.725 52.037 -0.076 0.000 0.635 1326 A CB -0.777 18.164 19.000 -0.099 0.000 0.810 1326 A HN 0.374 nan 8.150 nan 0.000 0.445 1327 A N -0.431 122.390 122.820 0.001 0.000 1.968 1327 A HA -0.070 4.250 4.320 -0.001 0.000 0.217 1327 A C 2.086 179.841 177.584 0.285 0.000 1.169 1327 A CA 1.741 53.877 52.037 0.164 0.000 0.638 1327 A CB -0.329 18.707 19.000 0.059 0.000 0.812 1327 A HN 0.518 nan 8.150 nan 0.000 0.446 1328 K N -0.287 120.192 120.400 0.132 0.000 2.001 1328 K HA 0.009 4.329 4.320 -0.001 0.000 0.208 1328 K C 1.848 178.507 176.600 0.099 0.000 1.048 1328 K CA 1.179 57.543 56.287 0.129 0.000 0.932 1328 K CB -0.294 32.249 32.500 0.071 0.000 0.715 1328 K HN 0.452 nan 8.250 nan 0.000 0.437 1329 L N 0.163 121.429 121.223 0.071 0.000 2.079 1329 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 1329 L C 2.343 179.232 176.870 0.032 0.000 1.081 1329 L CA 1.108 55.974 54.840 0.043 0.000 0.752 1329 L CB -0.406 41.675 42.059 0.038 0.000 0.896 1329 L HN 0.228 nan 8.230 nan 0.000 0.433 1330 F N 0.764 120.671 119.950 -0.072 0.000 2.293 1330 F HA -0.083 4.444 4.527 -0.001 0.000 0.300 1330 F C 2.139 177.778 175.800 -0.268 0.000 1.086 1330 F CA 1.174 59.084 58.000 -0.149 0.000 1.375 1330 F CB -0.464 38.454 39.000 -0.137 0.000 1.045 1330 F HN -0.031 nan 8.300 nan 0.000 0.516 1331 G N 1.117 109.802 108.800 -0.191 0.000 2.459 1331 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.217 1331 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.217 1331 G C 1.754 176.475 174.900 -0.298 0.000 1.183 1331 G CA 0.803 45.731 45.100 -0.287 0.000 0.776 1331 G HN 0.229 nan 8.290 nan 0.000 0.552 1332 R N 0.697 121.093 120.500 -0.174 0.000 2.070 1332 R HA 0.012 4.352 4.340 -0.001 0.000 0.233 1332 R C 2.560 178.736 176.300 -0.207 0.000 1.137 1332 R CA 1.011 57.026 56.100 -0.141 0.000 0.945 1332 R CB -1.448 28.806 30.300 -0.076 0.000 0.845 1332 R HN 0.459 nan 8.270 nan 0.000 0.430 1333 I N 1.488 121.906 120.570 -0.254 0.000 2.141 1333 I HA -0.397 3.773 4.170 -0.001 0.000 0.243 1333 I C 2.600 178.510 176.117 -0.346 0.000 1.035 1333 I CA 1.719 62.842 61.300 -0.295 0.000 1.302 1333 I CB -0.560 37.208 38.000 -0.386 0.000 1.006 1333 I HN 0.080 nan 8.210 nan 0.000 0.413 1334 L N 0.371 121.289 121.223 -0.510 0.000 1.970 1334 L HA -0.261 4.078 4.340 -0.001 0.000 0.212 1334 L C 2.873 179.600 176.870 -0.238 0.000 1.071 1334 L CA 2.197 56.778 54.840 -0.433 0.000 0.751 1334 L CB -0.803 40.922 42.059 -0.557 0.000 0.889 1334 L HN 0.446 nan 8.230 nan 0.000 0.432 1335 E N 0.413 120.500 120.200 -0.188 0.000 2.058 1335 E HA -0.302 4.048 4.350 -0.001 0.000 0.194 1335 E C 1.769 178.312 176.600 -0.094 0.000 0.997 1335 E CA 1.790 58.124 56.400 -0.109 0.000 0.801 1335 E CB -0.479 29.177 29.700 -0.074 0.000 0.746 1335 E HN 0.568 nan 8.360 nan 0.000 0.450 1336 E N 0.870 121.008 120.200 -0.102 0.000 2.118 1336 E HA -0.167 4.182 4.350 -0.001 0.000 0.195 1336 E C 1.767 178.320 176.600 -0.079 0.000 0.992 1336 E CA 1.356 57.708 56.400 -0.081 0.000 0.804 1336 E CB -0.015 29.637 29.700 -0.081 0.000 0.741 1336 E HN 0.078 nan 8.360 nan 0.000 0.458 1337 K N 0.754 121.094 120.400 -0.101 0.000 2.551 1337 K HA 0.034 4.354 4.320 -0.001 0.000 0.192 1337 K C -0.498 176.058 176.600 -0.072 0.000 1.027 1337 K CA 0.188 56.422 56.287 -0.088 0.000 1.059 1337 K CB -0.024 32.410 32.500 -0.109 0.000 0.831 1337 K HN 0.025 nan 8.250 nan 0.000 0.508 1338 K N 0.354 120.713 120.400 -0.068 0.000 3.419 1338 K HA -0.201 4.119 4.320 -0.001 0.000 0.272 1338 K C -0.326 176.241 176.600 -0.054 0.000 0.973 1338 K CA 0.427 56.683 56.287 -0.052 0.000 0.749 1338 K CB -1.760 30.717 32.500 -0.038 0.000 1.403 1338 K HN 0.194 nan 8.250 nan 0.000 0.456 1339 L N -0.856 120.324 121.223 -0.072 0.000 3.298 1339 L HA 0.108 4.447 4.340 -0.001 0.000 0.296 1339 L C 0.867 177.701 176.870 -0.059 0.000 1.237 1339 L CA -0.348 54.452 54.840 -0.068 0.000 1.038 1339 L CB 1.171 43.173 42.059 -0.095 0.000 1.423 1339 L HN 0.278 nan 8.230 nan 0.000 0.605 1340 S N 0.000 115.669 115.700 -0.052 0.000 2.498 1340 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1340 S CA 0.000 58.185 58.200 -0.024 0.000 1.107 1340 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 1340 S HN 0.000 nan 8.310 nan 0.000 0.517