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 1y1q_1_A DATA FIRST_RESID 1004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRRFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNAET MKQTESHAVK IVVEAARRLL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1004 S HA 0.000 nan 4.470 nan 0.000 0.327 1004 S C 0.000 174.599 174.600 -0.002 0.000 1.055 1004 S CA 0.000 58.187 58.200 -0.022 0.000 1.107 1004 S CB 0.000 63.159 63.200 -0.068 0.000 0.593 1005 D N 1.308 121.712 120.400 0.007 0.000 2.417 1005 D HA 0.195 4.835 4.640 -0.000 0.000 0.207 1005 D C 0.689 177.010 176.300 0.035 0.000 1.075 1005 D CA 0.802 54.814 54.000 0.019 0.000 0.851 1005 D CB 0.870 41.680 40.800 0.017 0.000 0.976 1005 D HN 0.533 nan 8.370 nan 0.000 0.505 1006 V N -1.625 118.310 119.914 0.034 0.000 2.769 1006 V HA 0.399 4.519 4.120 -0.000 0.000 0.312 1006 V C 0.797 176.943 176.094 0.086 0.000 1.061 1006 V CA -0.981 61.360 62.300 0.067 0.000 0.931 1006 V CB 1.870 33.720 31.823 0.045 0.000 1.010 1006 V HN -0.161 nan 8.190 nan 0.000 0.433 1007 F N 1.790 121.721 119.950 -0.031 0.000 2.365 1007 F HA 0.052 4.579 4.527 -0.000 0.000 0.300 1007 F C 1.619 177.279 175.800 -0.232 0.000 1.090 1007 F CA 2.211 60.140 58.000 -0.117 0.000 1.408 1007 F CB -0.153 38.778 39.000 -0.116 0.000 1.060 1007 F HN 0.862 nan 8.300 nan 0.000 0.534 1008 H N -1.769 117.168 119.070 -0.223 0.000 2.501 1008 H HA 0.249 4.805 4.556 -0.000 0.000 0.281 1008 H C 2.084 177.253 175.328 -0.264 0.000 0.988 1008 H CA 0.858 56.707 56.048 -0.332 0.000 1.232 1008 H CB -0.219 29.320 29.762 -0.371 0.000 1.455 1008 H HN 0.081 nan 8.280 nan 0.000 0.501 1009 L N -0.260 120.905 121.223 -0.097 0.000 2.217 1009 L HA 0.093 4.433 4.340 -0.000 0.000 0.211 1009 L C 1.144 178.045 176.870 0.051 0.000 1.107 1009 L CA 0.893 55.728 54.840 -0.009 0.000 0.783 1009 L CB -0.373 41.671 42.059 -0.025 0.000 0.919 1009 L HN 0.570 nan 8.230 nan 0.000 0.442 1010 G N 1.007 109.734 108.800 -0.123 0.000 2.225 1010 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.264 1010 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.264 1010 G C -0.176 174.735 174.900 0.019 0.000 1.060 1010 G CA 0.016 45.025 45.100 -0.153 0.000 0.833 1010 G HN 0.235 nan 8.290 nan 0.000 0.498 1011 L N -0.240 120.988 121.223 0.008 0.000 2.323 1011 L HA 0.904 5.244 4.340 -0.000 0.000 0.265 1011 L C 0.620 177.496 176.870 0.011 0.000 1.012 1011 L CA -0.562 54.292 54.840 0.023 0.000 0.820 1011 L CB 2.476 44.555 42.059 0.034 0.000 1.334 1011 L HN 0.381 nan 8.230 nan 0.000 0.427 1012 T N -3.582 110.979 114.554 0.011 0.000 2.916 1012 T HA 0.378 4.727 4.350 -0.000 0.000 0.292 1012 T C 0.461 175.166 174.700 0.009 0.000 1.055 1012 T CA -0.954 61.151 62.100 0.009 0.000 1.009 1012 T CB 2.118 70.989 68.868 0.005 0.000 1.118 1012 T HN 0.532 nan 8.240 nan 0.000 0.497 1013 K N 0.649 121.054 120.400 0.009 0.000 2.152 1013 K HA -0.183 4.137 4.320 -0.000 0.000 0.206 1013 K C 2.027 178.629 176.600 0.004 0.000 1.048 1013 K CA 1.614 57.905 56.287 0.007 0.000 0.933 1013 K CB -0.344 32.160 32.500 0.006 0.000 0.721 1013 K HN 0.605 nan 8.250 nan 0.000 0.447 1014 N N 1.692 120.393 118.700 0.003 0.000 2.069 1014 N HA -0.192 4.548 4.740 -0.000 0.000 0.191 1014 N C 1.202 176.712 175.510 0.000 0.000 1.031 1014 N CA 1.774 54.825 53.050 0.001 0.000 0.852 1014 N CB -0.186 38.301 38.487 -0.000 0.000 1.018 1014 N HN 0.067 nan 8.380 nan 0.000 0.423 1015 D N -0.414 119.987 120.400 0.001 0.000 2.203 1015 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 1015 D C 1.695 177.997 176.300 0.004 0.000 0.997 1015 D CA 0.745 54.745 54.000 0.000 0.000 0.863 1015 D CB -0.243 40.560 40.800 0.004 0.000 0.928 1015 D HN 0.278 nan 8.370 nan 0.000 0.458 1016 L N 0.216 121.442 121.223 0.005 0.000 2.217 1016 L HA -0.017 4.323 4.340 -0.000 0.000 0.211 1016 L C 0.689 177.560 176.870 0.001 0.000 1.107 1016 L CA 0.596 55.438 54.840 0.004 0.000 0.783 1016 L CB -0.376 41.683 42.059 -0.001 0.000 0.919 1016 L HN -0.038 nan 8.230 nan 0.000 0.442 1017 Q N 0.027 119.827 119.800 0.001 0.000 2.451 1017 Q HA -0.256 4.084 4.340 -0.000 0.000 0.305 1017 Q C 1.263 177.261 176.000 -0.003 0.000 1.345 1017 Q CA 0.944 56.747 55.803 0.000 0.000 0.854 1017 Q CB -2.212 26.527 28.738 0.003 0.000 1.162 1017 Q HN 0.678 nan 8.270 nan 0.000 0.440 1018 G N -1.973 106.824 108.800 -0.005 0.000 2.184 1018 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.264 1018 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.264 1018 G C 0.435 175.325 174.900 -0.017 0.000 0.975 1018 G CA 0.526 45.621 45.100 -0.010 0.000 0.642 1018 G HN 1.315 nan 8.290 nan 0.000 0.536 1019 A N -0.598 122.210 122.820 -0.019 0.000 2.520 1019 A HA 0.558 4.878 4.320 -0.000 0.000 0.235 1019 A C 1.043 178.594 177.584 -0.055 0.000 1.065 1019 A CA 1.554 53.571 52.037 -0.033 0.000 0.764 1019 A CB 0.219 19.202 19.000 -0.028 0.000 1.002 1019 A HN 0.623 nan 8.150 nan 0.000 0.502 1020 Q N -0.047 119.707 119.800 -0.077 0.000 2.081 1020 Q HA 0.315 4.655 4.340 -0.000 0.000 0.220 1020 Q C -0.672 175.220 176.000 -0.179 0.000 0.775 1020 Q CA -0.046 55.691 55.803 -0.110 0.000 0.983 1020 Q CB 0.784 29.478 28.738 -0.074 0.000 1.188 1020 Q HN 0.707 nan 8.270 nan 0.000 0.458 1021 L N 0.801 121.927 121.223 -0.161 0.000 2.365 1021 L HA 0.854 5.194 4.340 -0.000 0.000 0.273 1021 L C -1.660 175.098 176.870 -0.185 0.000 1.000 1021 L CA -0.635 54.087 54.840 -0.197 0.000 0.819 1021 L CB 1.625 43.616 42.059 -0.114 0.000 1.284 1021 L HN -0.056 nan 8.230 nan 0.000 0.418 1022 A N 5.729 128.397 122.820 -0.254 0.000 2.386 1022 A HA 0.725 5.045 4.320 -0.000 0.000 0.311 1022 A C -1.028 176.543 177.584 -0.022 0.000 1.068 1022 A CA -0.561 51.401 52.037 -0.126 0.000 0.743 1022 A CB 1.215 20.134 19.000 -0.136 0.000 1.258 1022 A HN 0.679 nan 8.150 nan 0.000 0.429 1023 I N 2.842 123.426 120.570 0.024 0.000 2.330 1023 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 1023 I C -0.350 175.813 176.117 0.078 0.000 1.001 1023 I CA -0.716 60.609 61.300 0.042 0.000 1.193 1023 I CB 1.718 39.729 38.000 0.019 0.000 1.345 1023 I HN 0.464 nan 8.210 nan 0.000 0.461 1024 V N 6.080 126.056 119.914 0.103 0.000 2.257 1024 V HA 0.513 4.633 4.120 -0.000 0.000 0.269 1024 V C -2.461 173.678 176.094 0.076 0.000 1.040 1024 V CA -1.838 60.532 62.300 0.115 0.000 0.813 1024 V CB 0.287 32.212 31.823 0.169 0.000 1.065 1024 V HN 0.448 nan 8.190 nan 0.000 0.457 1025 P HA 0.341 nan 4.420 nan 0.000 0.279 1025 P C 0.851 178.171 177.300 0.033 0.000 1.276 1025 P CA 0.086 63.205 63.100 0.032 0.000 0.801 1025 P CB 1.858 33.566 31.700 0.014 0.000 1.127 1026 G N -0.825 107.984 108.800 0.015 0.000 2.595 1026 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.213 1026 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.213 1026 G C 0.152 175.041 174.900 -0.017 0.000 1.141 1026 G CA 0.357 45.459 45.100 0.003 0.000 0.806 1026 G HN 0.492 nan 8.290 nan 0.000 0.530 1027 D N 0.311 120.701 120.400 -0.017 0.000 2.329 1027 D HA 0.279 4.918 4.640 -0.000 0.000 0.232 1027 D C -1.061 175.229 176.300 -0.017 0.000 1.088 1027 D CA -2.552 51.431 54.000 -0.029 0.000 0.835 1027 D CB 2.361 43.143 40.800 -0.031 0.000 1.078 1027 D HN -0.037 nan 8.370 nan 0.000 0.495 1028 P HA -0.182 nan 4.420 nan 0.000 0.217 1028 P C 0.657 177.969 177.300 0.021 0.000 1.148 1028 P CA 1.118 64.225 63.100 0.013 0.000 0.828 1028 P CB 0.441 32.136 31.700 -0.008 0.000 0.783 1029 E N -0.550 119.648 120.200 -0.004 0.000 2.268 1029 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 1029 E C 1.906 178.485 176.600 -0.034 0.000 0.995 1029 E CA 0.528 56.923 56.400 -0.009 0.000 0.836 1029 E CB -0.132 29.557 29.700 -0.018 0.000 0.763 1029 E HN 0.214 nan 8.360 nan 0.000 0.491 1030 R N 0.122 120.599 120.500 -0.039 0.000 2.280 1030 R HA 0.058 4.398 4.340 -0.000 0.000 0.195 1030 R C 2.095 178.336 176.300 -0.099 0.000 0.935 1030 R CA 0.217 56.280 56.100 -0.062 0.000 1.033 1030 R CB -0.383 29.893 30.300 -0.041 0.000 0.964 1030 R HN 0.090 nan 8.270 nan 0.000 0.489 1031 V N 1.480 121.343 119.914 -0.085 0.000 2.255 1031 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 1031 V C 2.437 178.281 176.094 -0.416 0.000 1.051 1031 V CA 2.135 64.356 62.300 -0.132 0.000 1.018 1031 V CB -0.475 31.367 31.823 0.032 0.000 0.641 1031 V HN 0.341 nan 8.190 nan 0.000 0.445 1032 E N 0.077 119.922 120.200 -0.592 0.000 2.118 1032 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 1032 E C 2.245 178.483 176.600 -0.602 0.000 0.992 1032 E CA 1.437 57.228 56.400 -1.014 0.000 0.804 1032 E CB -0.032 29.266 29.700 -0.670 0.000 0.741 1032 E HN 0.592 nan 8.360 nan 0.000 0.458 1033 K N -0.189 120.011 120.400 -0.334 0.000 2.057 1033 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 1033 K C 2.064 178.553 176.600 -0.185 0.000 1.050 1033 K CA 1.073 57.232 56.287 -0.213 0.000 0.935 1033 K CB -0.035 32.385 32.500 -0.133 0.000 0.715 1033 K HN 0.107 nan 8.250 nan 0.000 0.439 1034 I N 1.280 121.744 120.570 -0.177 0.000 2.202 1034 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 1034 I C 2.304 178.338 176.117 -0.139 0.000 1.091 1034 I CA 1.254 62.480 61.300 -0.122 0.000 1.368 1034 I CB -0.575 37.374 38.000 -0.085 0.000 1.058 1034 I HN 0.089 nan 8.210 nan 0.000 0.410 1035 A N 0.284 122.972 122.820 -0.221 0.000 2.024 1035 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 1035 A C 2.399 179.884 177.584 -0.166 0.000 1.164 1035 A CA 1.698 53.619 52.037 -0.193 0.000 0.643 1035 A CB -1.008 17.797 19.000 -0.326 0.000 0.806 1035 A HN 0.411 nan 8.150 nan 0.000 0.451 1036 A N -1.380 121.314 122.820 -0.209 0.000 2.209 1036 A HA 0.203 4.523 4.320 -0.000 0.000 0.212 1036 A C 1.584 179.121 177.584 -0.078 0.000 1.158 1036 A CA 0.987 52.939 52.037 -0.140 0.000 0.742 1036 A CB -0.290 18.618 19.000 -0.153 0.000 0.790 1036 A HN 0.368 nan 8.150 nan 0.000 0.472 1037 L N -1.128 120.053 121.223 -0.070 0.000 2.592 1037 L HA 0.322 4.662 4.340 -0.000 0.000 0.227 1037 L C 0.775 177.628 176.870 -0.028 0.000 1.127 1037 L CA 0.778 55.593 54.840 -0.042 0.000 0.884 1037 L CB -0.352 41.685 42.059 -0.037 0.000 1.065 1037 L HN 0.367 nan 8.230 nan 0.000 0.457 1038 M N -1.836 117.748 119.600 -0.027 0.000 2.796 1038 M HA 0.321 4.801 4.480 -0.000 0.000 0.303 1038 M C -0.674 175.628 176.300 0.004 0.000 1.240 1038 M CA -0.885 54.410 55.300 -0.008 0.000 0.831 1038 M CB 1.485 34.084 32.600 -0.002 0.000 1.750 1038 M HN -0.211 nan 8.290 nan 0.000 0.484 1039 D N 1.124 121.531 120.400 0.013 0.000 2.304 1039 D HA 0.163 4.803 4.640 -0.000 0.000 0.247 1039 D C -0.341 175.982 176.300 0.039 0.000 1.089 1039 D CA 0.019 54.032 54.000 0.021 0.000 0.910 1039 D CB 0.902 41.712 40.800 0.016 0.000 1.199 1039 D HN 0.357 nan 8.370 nan 0.000 0.426 1040 K N -0.059 120.369 120.400 0.046 0.000 3.156 1040 K HA -0.127 4.193 4.320 -0.000 0.000 0.266 1040 K C -2.396 174.268 176.600 0.107 0.000 0.966 1040 K CA 0.266 56.592 56.287 0.065 0.000 0.719 1040 K CB -1.578 30.950 32.500 0.047 0.000 1.333 1040 K HN 0.388 nan 8.250 nan 0.000 0.468 1041 P HA 0.134 nan 4.420 nan 0.000 0.271 1041 P C -0.428 177.111 177.300 0.398 0.000 1.216 1041 P CA -0.218 63.051 63.100 0.283 0.000 0.771 1041 P CB 1.168 33.003 31.700 0.225 0.000 0.864 1042 V N 3.000 123.112 119.914 0.330 0.000 2.656 1042 V HA 0.369 4.489 4.120 -0.000 0.000 0.307 1042 V C 0.366 176.211 176.094 -0.415 0.000 1.051 1042 V CA -1.045 61.252 62.300 -0.005 0.000 0.893 1042 V CB 1.937 33.737 31.823 -0.038 0.000 0.999 1042 V HN 0.478 nan 8.190 nan 0.000 0.426 1043 K N 2.829 122.545 120.400 -1.140 0.000 2.339 1043 K HA 0.457 4.777 4.320 -0.000 0.000 0.286 1043 K C 0.213 176.431 176.600 -0.637 0.000 1.050 1043 K CA -0.361 54.997 56.287 -1.548 0.000 0.956 1043 K CB 0.853 32.408 32.500 -1.575 0.000 0.990 1043 K HN 0.694 nan 8.250 nan 0.000 0.475 1044 L N 2.803 123.771 121.223 -0.425 0.000 2.200 1044 L HA 0.273 4.613 4.340 -0.000 0.000 0.200 1044 L C 0.715 177.502 176.870 -0.139 0.000 1.072 1044 L CA 0.460 55.187 54.840 -0.188 0.000 0.787 1044 L CB 0.052 42.069 42.059 -0.069 0.000 0.957 1044 L HN 0.815 nan 8.230 nan 0.000 0.459 1045 A N -1.367 121.373 122.820 -0.132 0.000 2.483 1045 A HA 0.607 4.927 4.320 -0.000 0.000 0.294 1045 A C -1.244 176.260 177.584 -0.134 0.000 1.077 1045 A CA -0.192 51.784 52.037 -0.102 0.000 0.633 1045 A CB 1.428 20.482 19.000 0.090 0.000 1.318 1045 A HN -0.145 nan 8.150 nan 0.000 0.455 1046 S N 0.221 115.714 115.700 -0.344 0.000 2.599 1046 S HA 0.589 5.059 4.470 -0.000 0.000 0.269 1046 S C -1.975 172.283 174.600 -0.570 0.000 1.135 1046 S CA -0.487 57.552 58.200 -0.268 0.000 1.027 1046 S CB 0.323 63.432 63.200 -0.151 0.000 1.129 1046 S HN 0.833 nan 8.310 nan 0.000 0.458 1047 H N 3.809 122.935 119.070 0.093 0.000 2.840 1047 H HA 0.533 5.089 4.556 -0.000 0.000 0.340 1047 H C 0.506 175.911 175.328 0.127 0.000 1.004 1047 H CA -0.537 55.566 56.048 0.090 0.000 1.288 1047 H CB 1.460 31.275 29.762 0.088 0.000 1.607 1047 H HN 0.777 nan 8.280 nan 0.000 0.522 1048 R N 0.489 121.068 120.500 0.132 0.000 3.794 1048 R HA -0.275 4.065 4.340 -0.000 0.000 0.485 1048 R C 0.814 177.040 176.300 -0.123 0.000 0.241 1048 R CA 1.464 57.579 56.100 0.024 0.000 1.522 1048 R CB -0.627 29.726 30.300 0.089 0.000 0.988 1048 R HN 0.565 nan 8.270 nan 0.000 0.570 1049 E N 0.539 120.492 120.200 -0.410 0.000 2.401 1049 E HA -0.027 4.323 4.350 -0.000 0.000 0.199 1049 E C -0.017 176.227 176.600 -0.594 0.000 1.023 1049 E CA 1.103 57.149 56.400 -0.590 0.000 0.859 1049 E CB -0.088 29.105 29.700 -0.844 0.000 0.780 1049 E HN 0.233 nan 8.360 nan 0.000 0.523 1050 F N 0.575 120.565 119.950 0.066 0.000 2.335 1050 F HA 0.323 4.850 4.527 -0.000 0.000 0.365 1050 F C 0.289 176.138 175.800 0.080 0.000 1.122 1050 F CA -0.562 57.486 58.000 0.080 0.000 1.151 1050 F CB 0.871 39.932 39.000 0.100 0.000 1.282 1050 F HN -0.398 nan 8.300 nan 0.000 0.513 1051 T N 2.229 116.899 114.554 0.194 0.000 2.771 1051 T HA 0.499 4.849 4.350 -0.000 0.000 0.281 1051 T C -0.264 174.579 174.700 0.238 0.000 0.982 1051 T CA -0.792 61.412 62.100 0.173 0.000 0.978 1051 T CB 1.070 70.031 68.868 0.154 0.000 0.930 1051 T HN 0.559 nan 8.240 nan 0.000 0.447 1052 S N 2.314 118.139 115.700 0.208 0.000 2.513 1052 S HA 0.795 5.265 4.470 -0.000 0.000 0.299 1052 S C -1.530 173.193 174.600 0.205 0.000 1.087 1052 S CA -1.000 57.336 58.200 0.225 0.000 1.012 1052 S CB 1.310 64.603 63.200 0.155 0.000 1.044 1052 S HN 0.670 nan 8.310 nan 0.000 0.485 1053 W N 0.933 122.252 121.300 0.031 0.000 2.962 1053 W HA 0.670 5.330 4.660 -0.000 0.000 0.341 1053 W C 0.081 176.608 176.519 0.014 0.000 1.155 1053 W CA -0.724 56.632 57.345 0.019 0.000 1.165 1053 W CB 1.698 31.166 29.460 0.013 0.000 1.435 1053 W HN 0.604 nan 8.180 nan 0.000 0.546 1054 R N 1.612 122.265 120.500 0.254 0.000 2.599 1054 R HA 0.874 5.214 4.340 -0.000 0.000 0.295 1054 R C -1.008 175.390 176.300 0.164 0.000 0.963 1054 R CA -0.392 55.798 56.100 0.150 0.000 0.883 1054 R CB 1.646 31.989 30.300 0.072 0.000 1.171 1054 R HN 0.668 nan 8.270 nan 0.000 0.450 1055 A N 3.058 125.944 122.820 0.110 0.000 2.552 1055 A HA 0.624 4.944 4.320 -0.000 0.000 0.288 1055 A C -1.452 176.161 177.584 0.049 0.000 1.193 1055 A CA -0.717 51.373 52.037 0.089 0.000 0.713 1055 A CB 1.663 20.709 19.000 0.077 0.000 1.305 1055 A HN 0.671 nan 8.150 nan 0.000 0.424 1056 E N -0.713 119.509 120.200 0.037 0.000 2.212 1056 E HA 0.601 4.950 4.350 -0.000 0.000 0.268 1056 E C -1.711 174.896 176.600 0.013 0.000 0.902 1056 E CA -0.446 55.966 56.400 0.021 0.000 0.779 1056 E CB 2.398 32.110 29.700 0.020 0.000 1.172 1056 E HN 0.390 nan 8.360 nan 0.000 0.409 1057 L N 3.446 124.672 121.223 0.005 0.000 2.406 1057 L HA 0.366 4.706 4.340 -0.000 0.000 0.270 1057 L C -1.213 175.655 176.870 -0.002 0.000 0.982 1057 L CA -0.206 54.634 54.840 -0.000 0.000 0.843 1057 L CB 1.109 43.165 42.059 -0.005 0.000 1.225 1057 L HN 0.511 nan 8.230 nan 0.000 0.412 1058 D N 4.388 124.787 120.400 -0.001 0.000 2.723 1058 D HA -0.184 4.456 4.640 -0.000 0.000 0.236 1058 D C 1.146 177.446 176.300 -0.001 0.000 1.138 1058 D CA 1.596 55.595 54.000 -0.002 0.000 0.676 1058 D CB -1.047 39.750 40.800 -0.004 0.000 1.069 1058 D HN 1.204 nan 8.370 nan 0.000 0.430 1059 G N -1.245 107.556 108.800 0.002 0.000 2.168 1059 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.263 1059 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.263 1059 G C 0.257 175.158 174.900 0.001 0.000 0.977 1059 G CA 0.749 45.850 45.100 0.002 0.000 0.659 1059 G HN 0.345 nan 8.290 nan 0.000 0.533 1060 K N 0.278 120.678 120.400 -0.000 0.000 2.207 1060 K HA 0.780 5.100 4.320 -0.000 0.000 0.255 1060 K C 0.450 177.050 176.600 -0.001 0.000 0.941 1060 K CA -0.098 56.187 56.287 -0.003 0.000 0.825 1060 K CB 1.733 34.228 32.500 -0.008 0.000 1.119 1060 K HN 0.642 nan 8.250 nan 0.000 0.430 1061 A N 1.948 124.767 122.820 -0.002 0.000 2.477 1061 A HA 0.399 4.719 4.320 -0.000 0.000 0.246 1061 A C -0.253 177.328 177.584 -0.005 0.000 1.078 1061 A CA -0.131 51.907 52.037 0.002 0.000 0.770 1061 A CB 0.210 19.211 19.000 0.001 0.000 1.011 1061 A HN 0.353 nan 8.150 nan 0.000 0.494 1062 V N 4.012 123.929 119.914 0.006 0.000 2.841 1062 V HA 0.390 4.510 4.120 -0.000 0.000 0.310 1062 V C -0.617 175.489 176.094 0.019 0.000 1.090 1062 V CA -0.654 61.645 62.300 -0.002 0.000 0.930 1062 V CB 2.000 33.822 31.823 -0.001 0.000 1.014 1062 V HN 0.777 nan 8.190 nan 0.000 0.425 1063 I N 3.761 124.335 120.570 0.007 0.000 2.441 1063 I HA 0.532 4.702 4.170 -0.000 0.000 0.295 1063 I C -0.467 175.684 176.117 0.056 0.000 0.994 1063 I CA -0.536 60.788 61.300 0.041 0.000 1.144 1063 I CB 2.024 40.038 38.000 0.022 0.000 1.314 1063 I HN 0.257 nan 8.210 nan 0.000 0.445 1064 V N 5.645 125.622 119.914 0.106 0.000 2.407 1064 V HA 0.409 4.529 4.120 -0.000 0.000 0.291 1064 V C -0.483 175.702 176.094 0.152 0.000 1.018 1064 V CA -0.484 61.877 62.300 0.102 0.000 0.842 1064 V CB 2.014 33.880 31.823 0.073 0.000 0.996 1064 V HN 0.896 nan 8.190 nan 0.000 0.426 1065 C N 5.284 124.670 119.300 0.143 0.000 2.551 1065 C HA 0.692 5.152 4.460 -0.000 0.000 0.332 1065 C C 0.477 175.572 174.990 0.175 0.000 1.139 1065 C CA -0.433 58.693 59.018 0.179 0.000 1.328 1065 C CB 1.089 28.939 27.740 0.184 0.000 1.903 1065 C HN 1.020 nan 8.230 nan 0.000 0.459 1066 S N 3.525 119.329 115.700 0.173 0.000 2.562 1066 S HA 0.311 4.781 4.470 -0.000 0.000 0.281 1066 S C 0.996 175.711 174.600 0.193 0.000 1.333 1066 S CA 0.485 58.763 58.200 0.130 0.000 1.052 1066 S CB 1.276 64.516 63.200 0.068 0.000 0.884 1066 S HN 1.149 nan 8.310 nan 0.000 0.506 1067 T N -0.614 114.019 114.554 0.133 0.000 3.015 1067 T HA 0.521 4.871 4.350 -0.000 0.000 0.250 1067 T C 1.165 175.896 174.700 0.051 0.000 1.057 1067 T CA 0.401 62.610 62.100 0.181 0.000 1.066 1067 T CB -0.857 68.080 68.868 0.115 0.000 0.959 1067 T HN 2.023 nan 8.240 nan 0.000 0.488 1068 G N 1.228 109.995 108.800 -0.056 0.000 2.710 1068 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.668 1068 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.668 1068 G C -0.758 174.110 174.900 -0.054 0.000 1.320 1068 G CA -0.594 44.430 45.100 -0.128 0.000 0.860 1068 G HN 0.600 nan 8.290 nan 0.000 0.538 1069 I N 2.269 122.804 120.570 -0.058 0.000 2.337 1069 I HA 0.522 4.692 4.170 -0.000 0.000 0.291 1069 I C 1.090 177.202 176.117 -0.008 0.000 1.046 1069 I CA 1.091 62.375 61.300 -0.026 0.000 1.324 1069 I CB 0.449 38.428 38.000 -0.034 0.000 1.409 1069 I HN 1.948 nan 8.210 nan 0.000 0.494 1070 G N 3.977 112.781 108.800 0.006 0.000 2.587 1070 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.686 1070 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.686 1070 G C 0.464 175.371 174.900 0.010 0.000 1.236 1070 G CA -0.459 44.647 45.100 0.011 0.000 0.820 1070 G HN 0.836 nan 8.290 nan 0.000 0.645 1071 G N 0.017 108.820 108.800 0.005 0.000 2.422 1071 G HA2 0.176 4.136 3.960 -0.000 0.000 0.218 1071 G HA3 0.176 4.136 3.960 -0.000 0.000 0.218 1071 G C 0.063 174.967 174.900 0.007 0.000 1.140 1071 G CA 1.854 46.954 45.100 0.000 0.000 0.775 1071 G HN 0.653 nan 8.290 nan 0.000 0.545 1072 P HA -0.104 nan 4.420 nan 0.000 0.214 1072 P C 2.307 179.633 177.300 0.045 0.000 1.163 1072 P CA 1.780 64.882 63.100 0.003 0.000 0.883 1072 P CB -0.053 31.645 31.700 -0.002 0.000 0.788 1073 S N -1.832 113.909 115.700 0.068 0.000 2.383 1073 S HA -0.126 4.344 4.470 -0.000 0.000 0.227 1073 S C 1.898 176.621 174.600 0.205 0.000 1.026 1073 S CA 1.874 60.169 58.200 0.159 0.000 0.981 1073 S CB -1.280 61.961 63.200 0.068 0.000 0.818 1073 S HN 0.134 nan 8.310 nan 0.000 0.472 1074 T N 1.635 116.246 114.554 0.095 0.000 2.821 1074 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 1074 T C 2.187 176.874 174.700 -0.021 0.000 1.046 1074 T CA 1.579 63.709 62.100 0.051 0.000 1.139 1074 T CB -0.508 68.358 68.868 -0.003 0.000 0.871 1074 T HN 0.716 nan 8.240 nan 0.000 0.454 1075 S N 1.182 116.870 115.700 -0.019 0.000 2.399 1075 S HA -0.031 4.438 4.470 -0.000 0.000 0.231 1075 S C 2.040 176.611 174.600 -0.048 0.000 1.022 1075 S CA 0.759 58.938 58.200 -0.036 0.000 0.983 1075 S CB -0.698 62.580 63.200 0.130 0.000 0.803 1075 S HN 0.477 nan 8.310 nan 0.000 0.480 1076 I N 1.990 122.517 120.570 -0.070 0.000 2.233 1076 I HA -0.081 4.089 4.170 -0.000 0.000 0.243 1076 I C 3.077 179.030 176.117 -0.272 0.000 1.093 1076 I CA 1.052 62.222 61.300 -0.216 0.000 1.380 1076 I CB -0.641 37.112 38.000 -0.411 0.000 1.067 1076 I HN 0.418 nan 8.210 nan 0.000 0.413 1077 A N 0.391 123.067 122.820 -0.241 0.000 1.865 1077 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 1077 A C 2.402 179.950 177.584 -0.061 0.000 1.191 1077 A CA 1.960 53.887 52.037 -0.183 0.000 0.623 1077 A CB -1.072 17.971 19.000 0.070 0.000 0.826 1077 A HN 0.236 nan 8.150 nan 0.000 0.444 1078 V N 0.312 120.157 119.914 -0.114 0.000 2.287 1078 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 1078 V C 2.652 178.667 176.094 -0.132 0.000 1.053 1078 V CA 2.545 64.687 62.300 -0.264 0.000 1.027 1078 V CB -0.847 30.613 31.823 -0.606 0.000 0.646 1078 V HN 0.771 nan 8.190 nan 0.000 0.447 1079 E N 1.008 121.138 120.200 -0.116 0.000 2.038 1079 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 1079 E C 2.081 178.695 176.600 0.022 0.000 1.000 1079 E CA 2.122 58.503 56.400 -0.032 0.000 0.803 1079 E CB -0.366 29.337 29.700 0.004 0.000 0.750 1079 E HN 0.693 nan 8.360 nan 0.000 0.448 1080 E N -0.102 120.097 120.200 -0.001 0.000 2.150 1080 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 1080 E C 2.308 178.941 176.600 0.056 0.000 0.985 1080 E CA 0.855 57.267 56.400 0.020 0.000 0.814 1080 E CB -0.126 29.561 29.700 -0.022 0.000 0.752 1080 E HN 0.315 nan 8.360 nan 0.000 0.466 1081 L N 0.629 121.912 121.223 0.099 0.000 2.093 1081 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 1081 L C 2.581 179.551 176.870 0.167 0.000 1.085 1081 L CA 0.889 55.822 54.840 0.154 0.000 0.755 1081 L CB -0.406 41.830 42.059 0.295 0.000 0.904 1081 L HN 0.142 nan 8.230 nan 0.000 0.435 1082 A N -0.519 122.448 122.820 0.244 0.000 1.933 1082 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 1082 A C 2.188 179.832 177.584 0.101 0.000 1.175 1082 A CA 1.421 53.584 52.037 0.209 0.000 0.628 1082 A CB -0.407 18.720 19.000 0.210 0.000 0.814 1082 A HN 0.467 nan 8.150 nan 0.000 0.444 1083 Q N -0.543 119.304 119.800 0.079 0.000 2.170 1083 Q HA -0.029 4.311 4.340 -0.000 0.000 0.203 1083 Q C 1.639 177.664 176.000 0.042 0.000 0.976 1083 Q CA 1.154 56.989 55.803 0.054 0.000 0.858 1083 Q CB -0.273 28.494 28.738 0.049 0.000 0.907 1083 Q HN 0.670 nan 8.270 nan 0.000 0.433 1084 L N -1.086 120.163 121.223 0.042 0.000 2.610 1084 L HA 0.053 4.393 4.340 -0.000 0.000 0.232 1084 L C 1.291 178.169 176.870 0.013 0.000 1.149 1084 L CA 0.611 55.467 54.840 0.026 0.000 0.872 1084 L CB 0.019 42.094 42.059 0.026 0.000 0.992 1084 L HN 0.474 nan 8.230 nan 0.000 0.447 1085 G N -0.661 108.148 108.800 0.016 0.000 2.352 1085 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.204 1085 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.204 1085 G C 0.357 175.236 174.900 -0.035 0.000 1.004 1085 G CA -0.589 44.509 45.100 -0.004 0.000 0.648 1085 G HN 0.035 nan 8.290 nan 0.000 0.491 1086 I N 1.669 122.198 120.570 -0.069 0.000 2.826 1086 I HA 0.106 4.276 4.170 -0.000 0.000 0.295 1086 I C 1.419 177.408 176.117 -0.213 0.000 1.213 1086 I CA 0.870 62.039 61.300 -0.219 0.000 1.436 1086 I CB 0.631 38.400 38.000 -0.384 0.000 1.348 1086 I HN 0.234 nan 8.210 nan 0.000 0.570 1087 R N 3.125 123.473 120.500 -0.253 0.000 2.517 1087 R HA 0.179 4.519 4.340 -0.000 0.000 0.265 1087 R C -0.236 175.986 176.300 -0.130 0.000 0.921 1087 R CA 0.220 56.259 56.100 -0.101 0.000 1.054 1087 R CB 0.596 30.875 30.300 -0.035 0.000 1.340 1087 R HN 0.560 nan 8.270 nan 0.000 0.551 1088 T N 1.363 115.707 114.554 -0.349 0.000 2.881 1088 T HA 0.563 4.913 4.350 -0.000 0.000 0.291 1088 T C -0.917 173.537 174.700 -0.410 0.000 0.990 1088 T CA -0.338 61.634 62.100 -0.213 0.000 0.976 1088 T CB 1.146 69.946 68.868 -0.114 0.000 0.970 1088 T HN -0.169 nan 8.240 nan 0.000 0.438 1089 F N 2.537 122.481 119.950 -0.009 0.000 2.467 1089 F HA 0.586 5.113 4.527 -0.000 0.000 0.336 1089 F C -0.134 175.659 175.800 -0.011 0.000 1.123 1089 F CA -1.207 56.787 58.000 -0.010 0.000 0.964 1089 F CB 1.294 40.283 39.000 -0.017 0.000 1.136 1089 F HN 0.232 nan 8.300 nan 0.000 0.447 1090 L N 4.328 125.631 121.223 0.134 0.000 2.316 1090 L HA 0.523 4.863 4.340 -0.000 0.000 0.280 1090 L C -0.150 176.765 176.870 0.076 0.000 1.006 1090 L CA -0.650 54.236 54.840 0.075 0.000 0.836 1090 L CB 1.793 43.867 42.059 0.026 0.000 1.221 1090 L HN 0.614 nan 8.230 nan 0.000 0.418 1091 R N 4.347 124.884 120.500 0.062 0.000 2.312 1091 R HA 0.519 4.859 4.340 -0.000 0.000 0.311 1091 R C -1.090 175.224 176.300 0.023 0.000 1.004 1091 R CA -0.545 55.583 56.100 0.047 0.000 0.902 1091 R CB 1.511 31.832 30.300 0.036 0.000 1.073 1091 R HN 0.478 nan 8.270 nan 0.000 0.457 1092 I N 3.840 124.422 120.570 0.019 0.000 2.433 1092 I HA 0.630 4.800 4.170 -0.000 0.000 0.292 1092 I C -0.775 175.346 176.117 0.008 0.000 1.001 1092 I CA -0.083 61.222 61.300 0.007 0.000 1.119 1092 I CB 1.406 39.407 38.000 0.002 0.000 1.289 1092 I HN 0.874 nan 8.210 nan 0.000 0.438 1093 G N 4.644 113.446 108.800 0.005 0.000 2.687 1093 G HA2 0.634 4.594 3.960 -0.000 0.000 0.291 1093 G HA3 0.634 4.594 3.960 -0.000 0.000 0.291 1093 G C -1.076 173.829 174.900 0.008 0.000 1.420 1093 G CA -0.363 44.741 45.100 0.008 0.000 0.796 1093 G HN 0.666 nan 8.290 nan 0.000 0.485 1094 T N -2.656 111.907 114.554 0.014 0.000 2.945 1094 T HA 0.793 5.143 4.350 -0.000 0.000 0.286 1094 T C -0.192 174.522 174.700 0.024 0.000 1.025 1094 T CA -0.468 61.643 62.100 0.018 0.000 1.039 1094 T CB 2.118 70.998 68.868 0.021 0.000 1.068 1094 T HN 1.002 nan 8.240 nan 0.000 0.497 1095 T N -0.727 113.839 114.554 0.020 0.000 2.739 1095 T HA 0.676 5.026 4.350 -0.000 0.000 0.303 1095 T C -1.050 173.657 174.700 0.011 0.000 1.389 1095 T CA -0.373 61.738 62.100 0.018 0.000 1.001 1095 T CB 1.322 70.191 68.868 0.002 0.000 1.436 1095 T HN 1.210 nan 8.240 nan 0.000 0.500 1096 G N 1.001 109.807 108.800 0.010 0.000 2.557 1096 G HA2 0.687 4.647 3.960 -0.000 0.000 0.310 1096 G HA3 0.687 4.647 3.960 -0.000 0.000 0.310 1096 G C -0.268 174.629 174.900 -0.005 0.000 1.328 1096 G CA -0.126 44.976 45.100 0.003 0.000 0.945 1096 G HN 0.937 nan 8.290 nan 0.000 0.494 1097 A N 1.975 124.770 122.820 -0.041 0.000 2.351 1097 A HA 0.597 4.917 4.320 -0.000 0.000 0.257 1097 A C 1.100 178.646 177.584 -0.063 0.000 1.087 1097 A CA -0.468 51.517 52.037 -0.087 0.000 0.798 1097 A CB 0.313 19.224 19.000 -0.148 0.000 1.033 1097 A HN 1.272 nan 8.150 nan 0.000 0.488 1098 I N -2.391 118.122 120.570 -0.095 0.000 4.082 1098 I HA 0.241 4.411 4.170 -0.000 0.000 0.337 1098 I C -0.153 175.926 176.117 -0.064 0.000 1.352 1098 I CA -0.285 60.983 61.300 -0.053 0.000 1.097 1098 I CB 0.168 38.122 38.000 -0.077 0.000 1.048 1098 I HN 0.304 nan 8.210 nan 0.000 0.393 1099 Q N 1.923 121.644 119.800 -0.131 0.000 2.256 1099 Q HA 0.378 4.718 4.340 -0.000 0.000 0.257 1099 Q C -1.924 173.987 176.000 -0.148 0.000 0.936 1099 Q CA -1.919 53.801 55.803 -0.138 0.000 0.903 1099 Q CB 1.943 30.514 28.738 -0.278 0.000 1.263 1099 Q HN -0.033 nan 8.270 nan 0.000 0.440 1100 P HA -0.183 nan 4.420 nan 0.000 0.216 1100 P C 0.816 178.120 177.300 0.007 0.000 1.150 1100 P CA 1.618 64.720 63.100 0.004 0.000 0.837 1100 P CB 0.130 31.864 31.700 0.057 0.000 0.786 1101 H N -2.241 116.815 119.070 -0.022 0.000 2.547 1101 H HA 0.143 4.699 4.556 -0.000 0.000 0.272 1101 H C 0.549 175.855 175.328 -0.036 0.000 0.989 1101 H CA 0.014 56.060 56.048 -0.003 0.000 1.214 1101 H CB -1.014 28.766 29.762 0.030 0.000 1.389 1101 H HN 0.065 nan 8.280 nan 0.000 0.577 1102 I N 2.768 122.999 120.570 -0.565 0.000 2.322 1102 I HA 0.057 4.227 4.170 -0.000 0.000 0.292 1102 I C -0.182 175.811 176.117 -0.207 0.000 1.060 1102 I CA -0.330 60.642 61.300 -0.547 0.000 1.309 1102 I CB 0.339 37.912 38.000 -0.713 0.000 1.415 1102 I HN 0.342 nan 8.210 nan 0.000 0.492 1103 N N 5.212 123.873 118.700 -0.065 0.000 2.515 1103 N HA 0.277 5.017 4.740 -0.000 0.000 0.279 1103 N C -0.277 175.231 175.510 -0.002 0.000 1.164 1103 N CA -0.499 52.545 53.050 -0.009 0.000 0.982 1103 N CB 1.981 40.492 38.487 0.040 0.000 1.170 1103 N HN 0.168 nan 8.380 nan 0.000 0.474 1104 V N 0.665 120.581 119.914 0.004 0.000 2.763 1104 V HA 0.198 4.318 4.120 -0.000 0.000 0.306 1104 V C 1.564 177.680 176.094 0.036 0.000 1.059 1104 V CA 1.163 63.470 62.300 0.012 0.000 1.138 1104 V CB 0.396 32.227 31.823 0.012 0.000 0.940 1104 V HN 1.053 nan 8.190 nan 0.000 0.489 1105 G N 3.061 111.890 108.800 0.048 0.000 2.217 1105 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.246 1105 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.246 1105 G C -0.067 174.903 174.900 0.117 0.000 0.990 1105 G CA 0.120 45.272 45.100 0.086 0.000 0.627 1105 G HN 0.701 nan 8.290 nan 0.000 0.522 1106 D N -0.039 120.412 120.400 0.085 0.000 2.358 1106 D HA 0.535 5.174 4.640 -0.000 0.000 0.244 1106 D C 0.525 176.860 176.300 0.058 0.000 1.163 1106 D CA -0.099 53.961 54.000 0.099 0.000 0.945 1106 D CB 1.605 42.503 40.800 0.162 0.000 1.152 1106 D HN 0.204 nan 8.370 nan 0.000 0.451 1107 V N 1.329 121.264 119.914 0.035 0.000 2.483 1107 V HA 0.386 4.506 4.120 -0.000 0.000 0.295 1107 V C -0.100 176.014 176.094 0.033 0.000 1.035 1107 V CA -0.732 61.560 62.300 -0.014 0.000 0.896 1107 V CB 1.362 33.119 31.823 -0.109 0.000 0.986 1107 V HN 0.268 nan 8.190 nan 0.000 0.447 1108 L N 5.035 126.265 121.223 0.012 0.000 2.333 1108 L HA 0.651 4.991 4.340 -0.000 0.000 0.280 1108 L C -0.738 176.132 176.870 -0.001 0.000 1.004 1108 L CA -0.752 54.100 54.840 0.021 0.000 0.820 1108 L CB 1.975 44.033 42.059 -0.003 0.000 1.247 1108 L HN 0.321 nan 8.230 nan 0.000 0.416 1109 V N 1.667 121.583 119.914 0.004 0.000 2.483 1109 V HA 0.427 4.547 4.120 -0.000 0.000 0.295 1109 V C 0.140 176.230 176.094 -0.006 0.000 1.035 1109 V CA -0.367 61.926 62.300 -0.011 0.000 0.896 1109 V CB 2.033 33.843 31.823 -0.022 0.000 0.986 1109 V HN 0.735 nan 8.190 nan 0.000 0.447 1110 T N 2.696 117.243 114.554 -0.011 0.000 2.758 1110 T HA 0.251 4.601 4.350 -0.000 0.000 0.285 1110 T C 1.170 175.868 174.700 -0.004 0.000 0.981 1110 T CA 0.080 62.173 62.100 -0.011 0.000 0.965 1110 T CB 1.355 70.212 68.868 -0.018 0.000 0.927 1110 T HN 0.966 nan 8.240 nan 0.000 0.448 1111 T N 0.765 115.320 114.554 0.002 0.000 2.896 1111 T HA 0.463 4.813 4.350 -0.000 0.000 0.263 1111 T C 0.772 175.481 174.700 0.015 0.000 1.050 1111 T CA 0.374 62.483 62.100 0.016 0.000 1.140 1111 T CB 0.136 69.019 68.868 0.025 0.000 0.877 1111 T HN 0.766 nan 8.240 nan 0.000 0.457 1112 A N -0.150 122.669 122.820 -0.002 0.000 2.566 1112 A HA 0.682 5.002 4.320 -0.000 0.000 0.290 1112 A C -1.081 176.484 177.584 -0.033 0.000 1.071 1112 A CA -0.868 51.166 52.037 -0.006 0.000 0.658 1112 A CB 1.172 20.170 19.000 -0.003 0.000 1.285 1112 A HN 0.243 nan 8.150 nan 0.000 0.427 1113 S N -0.622 115.056 115.700 -0.036 0.000 2.568 1113 S HA 0.631 5.101 4.470 -0.000 0.000 0.293 1113 S C -0.555 173.985 174.600 -0.100 0.000 1.089 1113 S CA -0.590 57.564 58.200 -0.076 0.000 0.945 1113 S CB 1.756 64.921 63.200 -0.059 0.000 1.077 1113 S HN 0.954 nan 8.310 nan 0.000 0.485 1114 V N 2.692 122.489 119.914 -0.195 0.000 2.470 1114 V HA 0.208 4.328 4.120 -0.000 0.000 0.276 1114 V C 0.582 176.588 176.094 -0.146 0.000 1.040 1114 V CA -0.152 61.993 62.300 -0.258 0.000 1.008 1114 V CB 0.038 31.487 31.823 -0.623 0.000 0.990 1114 V HN 0.702 nan 8.190 nan 0.000 0.477 1115 R N 5.161 125.630 120.500 -0.053 0.000 3.247 1115 R HA 0.258 4.598 4.340 -0.000 0.000 0.212 1115 R C 0.038 176.371 176.300 0.054 0.000 1.604 1115 R CA -0.070 56.038 56.100 0.013 0.000 1.279 1115 R CB -0.166 30.166 30.300 0.053 0.000 1.277 1115 R HN 0.661 nan 8.270 nan 0.000 0.669 1116 L N 2.169 123.426 121.223 0.057 0.000 2.888 1116 L HA 0.101 4.441 4.340 -0.000 0.000 0.237 1116 L C 0.303 177.260 176.870 0.144 0.000 1.288 1116 L CA -0.207 54.733 54.840 0.167 0.000 1.110 1116 L CB -0.884 41.312 42.059 0.229 0.000 1.441 1116 L HN 0.501 nan 8.230 nan 0.000 0.474 1117 D N -1.572 118.890 120.400 0.103 0.000 2.727 1117 D HA 0.368 5.008 4.640 -0.000 0.000 0.264 1117 D C 0.675 177.028 176.300 0.088 0.000 1.101 1117 D CA -0.250 53.799 54.000 0.081 0.000 1.122 1117 D CB 1.617 42.446 40.800 0.049 0.000 1.390 1117 D HN -0.086 nan 8.370 nan 0.000 0.606 1118 G N -1.416 107.419 108.800 0.058 0.000 2.692 1118 G HA2 0.297 4.257 3.960 -0.000 0.000 0.201 1118 G HA3 0.297 4.257 3.960 -0.000 0.000 0.201 1118 G C 1.194 176.099 174.900 0.009 0.000 1.063 1118 G CA 0.623 45.761 45.100 0.064 0.000 0.790 1118 G HN 0.619 nan 8.290 nan 0.000 0.599 1119 A N 1.793 124.565 122.820 -0.080 0.000 1.969 1119 A HA 0.026 4.346 4.320 -0.000 0.000 0.218 1119 A C 2.641 180.302 177.584 0.128 0.000 1.169 1119 A CA 2.355 54.293 52.037 -0.165 0.000 0.635 1119 A CB -0.619 18.340 19.000 -0.068 0.000 0.810 1119 A HN 0.730 nan 8.150 nan 0.000 0.445 1120 S N 0.290 116.087 115.700 0.161 0.000 2.399 1120 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 1120 S C 1.660 176.403 174.600 0.237 0.000 1.022 1120 S CA 1.430 59.768 58.200 0.230 0.000 0.983 1120 S CB -0.734 62.542 63.200 0.127 0.000 0.803 1120 S HN 0.452 nan 8.310 nan 0.000 0.480 1121 L N 0.774 122.115 121.223 0.198 0.000 2.456 1121 L HA 0.025 4.365 4.340 -0.000 0.000 0.224 1121 L C 2.187 179.129 176.870 0.120 0.000 1.148 1121 L CA 0.921 55.857 54.840 0.160 0.000 0.825 1121 L CB -0.656 41.499 42.059 0.160 0.000 0.937 1121 L HN 0.498 nan 8.230 nan 0.000 0.450 1122 H N -1.829 117.159 119.070 -0.138 0.000 2.539 1122 H HA 0.052 4.608 4.556 -0.000 0.000 0.267 1122 H C 1.101 175.962 175.328 -0.778 0.000 0.982 1122 H CA 0.492 56.284 56.048 -0.426 0.000 1.146 1122 H CB 0.477 29.933 29.762 -0.510 0.000 1.382 1122 H HN 0.353 nan 8.280 nan 0.000 0.577 1123 F N -0.404 119.562 119.950 0.026 0.000 2.778 1123 F HA 0.455 4.982 4.527 -0.000 0.000 0.314 1123 F C 0.699 176.410 175.800 -0.149 0.000 1.073 1123 F CA -0.040 57.917 58.000 -0.071 0.000 1.218 1123 F CB 1.204 40.141 39.000 -0.105 0.000 1.037 1123 F HN -0.028 nan 8.300 nan 0.000 0.594 1124 A N 0.497 123.327 122.820 0.017 0.000 2.594 1124 A HA 0.573 4.892 4.320 -0.000 0.000 0.296 1124 A C -2.887 174.719 177.584 0.036 0.000 1.056 1124 A CA -1.234 50.768 52.037 -0.058 0.000 0.693 1124 A CB 0.532 19.340 19.000 -0.320 0.000 1.278 1124 A HN -0.173 nan 8.150 nan 0.000 0.408 1125 P HA 0.137 nan 4.420 nan 0.000 0.272 1125 P C 0.875 178.250 177.300 0.124 0.000 1.230 1125 P CA -0.202 62.947 63.100 0.081 0.000 0.788 1125 P CB 0.473 32.217 31.700 0.073 0.000 0.949 1126 M N 1.658 121.320 119.600 0.102 0.000 2.255 1126 M HA -0.215 4.265 4.480 -0.000 0.000 0.259 1126 M C 1.487 177.859 176.300 0.121 0.000 1.071 1126 M CA 1.933 57.298 55.300 0.108 0.000 1.074 1126 M CB -1.288 31.362 32.600 0.084 0.000 1.384 1126 M HN 0.339 nan 8.290 nan 0.000 0.415 1127 E N -0.933 119.338 120.200 0.118 0.000 2.153 1127 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 1127 E C 0.368 177.040 176.600 0.119 0.000 0.988 1127 E CA 0.655 57.115 56.400 0.100 0.000 0.811 1127 E CB -0.415 29.334 29.700 0.082 0.000 0.746 1127 E HN 0.488 nan 8.360 nan 0.000 0.466 1128 F N 2.196 122.165 119.950 0.032 0.000 2.518 1128 F HA 0.136 4.663 4.527 0.000 0.000 0.359 1128 F C -1.974 173.843 175.800 0.028 0.000 1.118 1128 F CA -2.505 55.514 58.000 0.032 0.000 1.287 1128 F CB 0.515 39.540 39.000 0.042 0.000 1.132 1128 F HN -0.111 nan 8.300 nan 0.000 0.587 1129 P HA 0.229 nan 4.420 nan 0.000 0.290 1129 P C -1.514 175.903 177.300 0.194 0.000 1.276 1129 P CA -0.535 62.559 63.100 -0.010 0.000 0.808 1129 P CB 1.482 33.082 31.700 -0.166 0.000 0.966 1130 A N 3.730 126.637 122.820 0.144 0.000 3.126 1130 A HA 0.299 4.619 4.320 -0.000 0.000 0.268 1130 A C 0.215 177.845 177.584 0.076 0.000 1.605 1130 A CA -0.452 51.665 52.037 0.132 0.000 1.305 1130 A CB -0.836 18.208 19.000 0.074 0.000 1.160 1130 A HN 0.457 nan 8.150 nan 0.000 0.609 1131 V N 1.517 121.485 119.914 0.090 0.000 2.539 1131 V HA 0.702 4.821 4.120 -0.000 0.000 0.292 1131 V C 0.676 176.811 176.094 0.069 0.000 1.045 1131 V CA -0.176 62.158 62.300 0.056 0.000 0.945 1131 V CB 1.320 33.161 31.823 0.031 0.000 0.993 1131 V HN 0.878 nan 8.190 nan 0.000 0.464 1132 A N 4.309 127.161 122.820 0.054 0.000 2.313 1132 A HA 0.399 4.719 4.320 -0.000 0.000 0.261 1132 A C 0.101 177.733 177.584 0.080 0.000 1.090 1132 A CA -0.031 52.038 52.037 0.054 0.000 0.807 1132 A CB 0.152 19.171 19.000 0.032 0.000 1.055 1132 A HN 1.073 nan 8.150 nan 0.000 0.492 1133 D N -0.578 119.869 120.400 0.079 0.000 2.372 1133 D HA 0.143 4.783 4.640 -0.000 0.000 0.243 1133 D C 0.625 176.999 176.300 0.123 0.000 1.121 1133 D CA -0.185 53.879 54.000 0.107 0.000 0.898 1133 D CB 0.215 41.069 40.800 0.090 0.000 1.202 1133 D HN 0.355 nan 8.370 nan 0.000 0.428 1134 F N 3.315 123.276 119.950 0.018 0.000 2.113 1134 F HA -0.017 4.510 4.527 -0.000 0.000 0.297 1134 F C 2.079 177.885 175.800 0.009 0.000 1.103 1134 F CA 1.654 59.660 58.000 0.010 0.000 1.248 1134 F CB -0.553 38.452 39.000 0.007 0.000 0.999 1134 F HN 0.495 nan 8.300 nan 0.000 0.475 1135 A N -0.514 122.297 122.820 -0.014 0.000 1.902 1135 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 1135 A C 2.348 179.849 177.584 -0.137 0.000 1.181 1135 A CA 1.856 53.830 52.037 -0.103 0.000 0.623 1135 A CB -1.684 17.332 19.000 0.027 0.000 0.818 1135 A HN 0.568 nan 8.150 nan 0.000 0.443 1136 C N -1.144 118.114 119.300 -0.071 0.000 2.440 1136 C HA -0.056 4.404 4.460 -0.000 0.000 0.278 1136 C C 3.006 177.940 174.990 -0.092 0.000 1.295 1136 C CA 1.489 60.474 59.018 -0.056 0.000 1.738 1136 C CB -1.472 26.266 27.740 -0.005 0.000 1.987 1136 C HN 0.650 nan 8.230 nan 0.000 0.492 1137 T N 0.226 114.701 114.554 -0.131 0.000 2.857 1137 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 1137 T C 1.849 176.422 174.700 -0.210 0.000 1.048 1137 T CA 1.910 63.925 62.100 -0.142 0.000 1.139 1137 T CB -0.418 68.374 68.868 -0.126 0.000 0.874 1137 T HN 0.555 nan 8.240 nan 0.000 0.455 1138 T N 2.013 116.355 114.554 -0.352 0.000 2.746 1138 T HA -0.021 4.329 4.350 -0.000 0.000 0.267 1138 T C 2.402 176.987 174.700 -0.191 0.000 1.039 1138 T CA 1.186 63.074 62.100 -0.353 0.000 1.142 1138 T CB -0.501 68.059 68.868 -0.514 0.000 0.866 1138 T HN 0.423 nan 8.240 nan 0.000 0.444 1139 A N 1.010 123.739 122.820 -0.152 0.000 1.902 1139 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 1139 A C 2.276 179.812 177.584 -0.080 0.000 1.181 1139 A CA 1.205 53.185 52.037 -0.095 0.000 0.623 1139 A CB -0.778 18.179 19.000 -0.072 0.000 0.818 1139 A HN 0.478 nan 8.150 nan 0.000 0.443 1140 L N -0.758 120.415 121.223 -0.083 0.000 2.056 1140 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 1140 L C 2.487 179.313 176.870 -0.073 0.000 1.078 1140 L CA 0.850 55.649 54.840 -0.069 0.000 0.749 1140 L CB -0.444 41.580 42.059 -0.060 0.000 0.901 1140 L HN 0.234 nan 8.230 nan 0.000 0.433 1141 V N -0.284 119.579 119.914 -0.084 0.000 2.358 1141 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 1141 V C 2.338 178.390 176.094 -0.070 0.000 1.047 1141 V CA 1.670 63.924 62.300 -0.076 0.000 1.035 1141 V CB -0.377 31.396 31.823 -0.084 0.000 0.658 1141 V HN 0.439 nan 8.190 nan 0.000 0.452 1142 E N 0.251 120.407 120.200 -0.073 0.000 2.072 1142 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 1142 E C 2.348 178.918 176.600 -0.049 0.000 0.985 1142 E CA 1.214 57.580 56.400 -0.058 0.000 0.801 1142 E CB -0.320 29.345 29.700 -0.058 0.000 0.750 1142 E HN 0.579 nan 8.360 nan 0.000 0.452 1143 A N 1.540 124.328 122.820 -0.052 0.000 1.902 1143 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 1143 A C 2.397 179.951 177.584 -0.051 0.000 1.181 1143 A CA 1.649 53.659 52.037 -0.045 0.000 0.623 1143 A CB -0.637 18.336 19.000 -0.045 0.000 0.818 1143 A HN 0.291 nan 8.150 nan 0.000 0.443 1144 A N -0.232 122.548 122.820 -0.066 0.000 1.978 1144 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 1144 A C 2.110 179.655 177.584 -0.065 0.000 1.170 1144 A CA 2.092 54.078 52.037 -0.085 0.000 0.636 1144 A CB -0.423 18.522 19.000 -0.092 0.000 0.810 1144 A HN 0.590 nan 8.150 nan 0.000 0.448 1145 K N -0.328 120.042 120.400 -0.050 0.000 2.062 1145 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 1145 K C 2.181 178.767 176.600 -0.023 0.000 1.051 1145 K CA 1.443 57.709 56.287 -0.036 0.000 0.941 1145 K CB -0.175 32.305 32.500 -0.034 0.000 0.719 1145 K HN 0.396 nan 8.250 nan 0.000 0.440 1146 S N 1.027 116.713 115.700 -0.023 0.000 2.368 1146 S HA -0.108 4.362 4.470 -0.000 0.000 0.225 1146 S C 1.803 176.401 174.600 -0.002 0.000 1.030 1146 S CA 1.095 59.288 58.200 -0.013 0.000 0.999 1146 S CB -0.151 63.040 63.200 -0.015 0.000 0.844 1146 S HN 0.254 nan 8.310 nan 0.000 0.459 1147 I N 0.229 120.796 120.570 -0.004 0.000 2.286 1147 I HA 0.020 4.190 4.170 -0.000 0.000 0.245 1147 I C 2.119 178.268 176.117 0.055 0.000 1.104 1147 I CA 1.592 62.908 61.300 0.026 0.000 1.397 1147 I CB -1.583 36.422 38.000 0.008 0.000 1.072 1147 I HN 0.502 nan 8.210 nan 0.000 0.417 1148 G N 0.233 109.046 108.800 0.021 0.000 2.168 1148 G HA2 -0.109 3.850 3.960 -0.000 0.000 0.197 1148 G HA3 -0.109 3.850 3.960 -0.000 0.000 0.197 1148 G C 0.551 175.480 174.900 0.048 0.000 0.997 1148 G CA 0.106 45.228 45.100 0.037 0.000 0.658 1148 G HN 0.673 nan 8.290 nan 0.000 0.513 1149 A N -0.049 122.758 122.820 -0.021 0.000 2.386 1149 A HA 0.661 4.981 4.320 -0.000 0.000 0.246 1149 A C 0.790 178.354 177.584 -0.033 0.000 1.089 1149 A CA 1.125 53.128 52.037 -0.057 0.000 0.790 1149 A CB 0.268 19.026 19.000 -0.403 0.000 1.042 1149 A HN 0.757 nan 8.150 nan 0.000 0.497 1150 T N 2.023 116.577 114.554 0.000 0.000 2.729 1150 T HA 0.466 4.816 4.350 -0.000 0.000 0.296 1150 T C -0.047 174.617 174.700 -0.059 0.000 0.928 1150 T CA 0.323 62.408 62.100 -0.025 0.000 1.045 1150 T CB 0.197 69.084 68.868 0.032 0.000 0.902 1150 T HN 0.627 nan 8.240 nan 0.000 0.500 1151 T N 4.468 118.934 114.554 -0.147 0.000 2.856 1151 T HA 0.428 4.778 4.350 -0.000 0.000 0.283 1151 T C -0.610 173.916 174.700 -0.289 0.000 1.008 1151 T CA -0.739 61.281 62.100 -0.132 0.000 0.997 1151 T CB 0.875 69.688 68.868 -0.093 0.000 0.992 1151 T HN 0.526 nan 8.240 nan 0.000 0.454 1152 H N 0.838 119.903 119.070 -0.008 0.000 2.589 1152 H HA 0.559 5.115 4.556 -0.000 0.000 0.351 1152 H C -1.126 174.200 175.328 -0.004 0.000 1.074 1152 H CA -0.527 55.528 56.048 0.011 0.000 1.203 1152 H CB 1.963 31.731 29.762 0.011 0.000 1.558 1152 H HN 0.261 nan 8.280 nan 0.000 0.522 1153 V N 2.327 122.303 119.914 0.102 0.000 2.487 1153 V HA 0.707 4.827 4.120 -0.000 0.000 0.298 1153 V C 0.444 176.571 176.094 0.055 0.000 1.028 1153 V CA -0.291 62.040 62.300 0.052 0.000 0.860 1153 V CB 1.439 33.274 31.823 0.020 0.000 0.991 1153 V HN 1.088 nan 8.190 nan 0.000 0.427 1154 G N 3.124 111.944 108.800 0.034 0.000 2.392 1154 G HA2 0.411 4.371 3.960 -0.000 0.000 0.260 1154 G HA3 0.411 4.371 3.960 -0.000 0.000 0.260 1154 G C -1.306 173.593 174.900 -0.003 0.000 1.226 1154 G CA -0.382 44.732 45.100 0.024 0.000 0.913 1154 G HN 0.500 nan 8.290 nan 0.000 0.483 1155 V N 0.706 120.610 119.914 -0.018 0.000 2.732 1155 V HA 0.641 4.761 4.120 -0.000 0.000 0.297 1155 V C 0.411 176.449 176.094 -0.094 0.000 1.060 1155 V CA 0.112 62.380 62.300 -0.053 0.000 1.038 1155 V CB 1.339 33.127 31.823 -0.059 0.000 1.003 1155 V HN 0.794 nan 8.190 nan 0.000 0.481 1156 T N 2.743 117.224 114.554 -0.122 0.000 2.893 1156 T HA 0.679 5.029 4.350 -0.000 0.000 0.291 1156 T C -0.366 174.197 174.700 -0.229 0.000 1.028 1156 T CA -0.319 61.687 62.100 -0.157 0.000 0.995 1156 T CB 1.742 70.552 68.868 -0.098 0.000 1.051 1156 T HN 0.913 nan 8.240 nan 0.000 0.470 1157 A N 1.832 124.473 122.820 -0.298 0.000 2.253 1157 A HA 0.653 4.973 4.320 -0.000 0.000 0.316 1157 A C 0.215 177.742 177.584 -0.094 0.000 1.327 1157 A CA -0.497 51.333 52.037 -0.345 0.000 0.917 1157 A CB 0.518 19.147 19.000 -0.617 0.000 1.162 1157 A HN 0.611 nan 8.150 nan 0.000 0.535 1158 S N 2.142 117.796 115.700 -0.078 0.000 2.410 1158 S HA 0.490 4.960 4.470 -0.000 0.000 0.304 1158 S C 0.124 174.733 174.600 0.015 0.000 1.095 1158 S CA -0.274 57.918 58.200 -0.013 0.000 1.089 1158 S CB 0.308 63.495 63.200 -0.020 0.000 0.968 1158 S HN 0.922 nan 8.310 nan 0.000 0.480 1159 S N 3.341 119.054 115.700 0.021 0.000 2.525 1159 S HA 0.335 4.805 4.470 -0.000 0.000 0.290 1159 S C 0.527 175.116 174.600 -0.018 0.000 1.152 1159 S CA -0.640 57.552 58.200 -0.013 0.000 1.072 1159 S CB 1.145 64.270 63.200 -0.125 0.000 1.027 1159 S HN 0.742 nan 8.310 nan 0.000 0.500 1160 D N 1.918 122.317 120.400 -0.001 0.000 2.347 1160 D HA 0.090 4.730 4.640 -0.000 0.000 0.215 1160 D C 0.878 177.179 176.300 0.002 0.000 0.976 1160 D CA 0.877 54.885 54.000 0.013 0.000 0.884 1160 D CB 0.188 41.013 40.800 0.042 0.000 0.915 1160 D HN 0.727 nan 8.370 nan 0.000 0.526 1161 T N -3.816 110.707 114.554 -0.051 0.000 2.930 1161 T HA 0.315 4.665 4.350 -0.000 0.000 0.290 1161 T C 0.439 175.108 174.700 -0.051 0.000 1.052 1161 T CA -0.884 61.204 62.100 -0.021 0.000 1.017 1161 T CB 1.323 70.159 68.868 -0.052 0.000 1.137 1161 T HN -0.098 nan 8.240 nan 0.000 0.511 1162 F N -0.310 119.570 119.950 -0.117 0.000 2.656 1162 F HA 0.280 4.807 4.527 -0.000 0.000 0.291 1162 F C 0.819 176.335 175.800 -0.473 0.000 1.122 1162 F CA 0.318 58.145 58.000 -0.289 0.000 1.427 1162 F CB 0.112 38.930 39.000 -0.303 0.000 1.125 1162 F HN 0.644 nan 8.300 nan 0.000 0.583 1163 Y N 0.754 120.985 120.300 -0.114 0.000 2.488 1163 Y HA 0.207 4.757 4.550 -0.000 0.000 0.262 1163 Y C -0.518 175.184 175.900 -0.330 0.000 1.108 1163 Y CA 0.385 58.369 58.100 -0.195 0.000 1.299 1163 Y CB -1.915 36.528 38.460 -0.029 0.000 1.231 1163 Y HN -0.219 nan 8.280 nan 0.000 0.507 1164 P HA -0.096 nan 4.420 nan 0.000 0.217 1164 P C 1.559 178.514 177.300 -0.576 0.000 1.150 1164 P CA 2.212 65.145 63.100 -0.278 0.000 0.832 1164 P CB -0.141 31.471 31.700 -0.147 0.000 0.787 1165 G N -0.003 108.355 108.800 -0.737 0.000 2.470 1165 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 1165 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 1165 G C 1.340 175.762 174.900 -0.797 0.000 1.121 1165 G CA 0.338 44.735 45.100 -1.172 0.000 0.766 1165 G HN 0.392 nan 8.290 nan 0.000 0.553 1166 Q N -0.449 118.883 119.800 -0.780 0.000 2.201 1166 Q HA 0.232 4.572 4.340 -0.000 0.000 0.236 1166 Q C -0.076 175.528 176.000 -0.660 0.000 0.857 1166 Q CA -0.309 54.786 55.803 -1.179 0.000 1.025 1166 Q CB 0.399 28.359 28.738 -1.297 0.000 1.124 1166 Q HN 0.595 nan 8.270 nan 0.000 0.473 1167 E N 1.715 121.666 120.200 -0.415 0.000 2.165 1167 E HA -0.265 4.085 4.350 -0.000 0.000 0.203 1167 E C -0.934 175.462 176.600 -0.340 0.000 1.335 1167 E CA 0.222 56.441 56.400 -0.301 0.000 0.708 1167 E CB -0.251 29.427 29.700 -0.036 0.000 1.105 1167 E HN 0.334 nan 8.360 nan 0.000 0.346 1168 R N 0.140 120.417 120.500 -0.372 0.000 2.368 1168 R HA 0.239 4.579 4.340 -0.000 0.000 0.302 1168 R C 0.113 176.257 176.300 -0.261 0.000 1.002 1168 R CA -0.287 55.692 56.100 -0.201 0.000 0.929 1168 R CB 0.578 30.801 30.300 -0.128 0.000 1.073 1168 R HN 0.230 nan 8.270 nan 0.000 0.464 1169 Y N -0.760 119.566 120.300 0.044 0.000 2.445 1169 Y HA 0.073 4.623 4.550 -0.000 0.000 0.247 1169 Y C 0.747 176.681 175.900 0.057 0.000 1.129 1169 Y CA -0.182 57.945 58.100 0.044 0.000 1.251 1169 Y CB 0.714 39.189 38.460 0.024 0.000 1.176 1169 Y HN 0.512 nan 8.280 nan 0.000 0.522 1170 D N 2.037 122.559 120.400 0.203 0.000 2.982 1170 D HA 0.017 4.657 4.640 -0.000 0.000 0.238 1170 D C 0.181 176.575 176.300 0.156 0.000 1.168 1170 D CA 0.403 54.504 54.000 0.167 0.000 0.947 1170 D CB -0.037 40.862 40.800 0.166 0.000 1.147 1170 D HN 0.293 nan 8.370 nan 0.000 0.450 1171 T N -3.273 111.342 114.554 0.102 0.000 2.926 1171 T HA 0.130 4.480 4.350 -0.000 0.000 0.289 1171 T C 1.168 175.887 174.700 0.033 0.000 1.054 1171 T CA -0.839 61.274 62.100 0.022 0.000 1.015 1171 T CB 1.293 70.148 68.868 -0.021 0.000 1.167 1171 T HN 0.053 nan 8.240 nan 0.000 0.526 1172 Y N 1.942 122.189 120.300 -0.088 0.000 2.053 1172 Y HA -0.188 4.362 4.550 -0.000 0.000 0.277 1172 Y C 2.786 178.673 175.900 -0.023 0.000 1.159 1172 Y CA 2.976 61.043 58.100 -0.055 0.000 1.125 1172 Y CB -0.826 37.588 38.460 -0.076 0.000 0.969 1172 Y HN 0.774 nan 8.280 nan 0.000 0.492 1173 S N -0.836 114.765 115.700 -0.166 0.000 2.436 1173 S HA 0.088 4.558 4.470 -0.000 0.000 0.228 1173 S C 1.932 176.467 174.600 -0.108 0.000 1.014 1173 S CA 0.841 58.909 58.200 -0.220 0.000 0.950 1173 S CB -0.891 62.291 63.200 -0.030 0.000 0.784 1173 S HN 1.165 nan 8.310 nan 0.000 0.504 1174 G N 2.021 110.808 108.800 -0.022 0.000 2.166 1174 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.260 1174 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.260 1174 G C 0.022 175.021 174.900 0.166 0.000 0.986 1174 G CA 0.494 45.637 45.100 0.071 0.000 0.683 1174 G HN 1.037 nan 8.290 nan 0.000 0.527 1175 R N -1.481 119.083 120.500 0.108 0.000 2.803 1175 R HA 0.807 5.147 4.340 -0.000 0.000 0.276 1175 R C -1.106 175.235 176.300 0.067 0.000 0.978 1175 R CA -1.045 55.143 56.100 0.147 0.000 0.939 1175 R CB 2.248 32.600 30.300 0.087 0.000 1.179 1175 R HN 0.219 nan 8.270 nan 0.000 0.472 1176 V N 2.827 122.803 119.914 0.103 0.000 2.444 1176 V HA 0.214 4.334 4.120 -0.000 0.000 0.294 1176 V C 0.023 176.185 176.094 0.112 0.000 1.022 1176 V CA -1.020 61.288 62.300 0.014 0.000 0.850 1176 V CB 1.677 33.408 31.823 -0.153 0.000 0.992 1176 V HN 0.684 nan 8.190 nan 0.000 0.426 1177 V N 6.470 126.463 119.914 0.132 0.000 2.788 1177 V HA 0.027 4.147 4.120 -0.000 0.000 0.307 1177 V C 1.921 178.081 176.094 0.111 0.000 1.069 1177 V CA 0.892 63.269 62.300 0.128 0.000 1.173 1177 V CB 0.726 32.639 31.823 0.150 0.000 0.925 1177 V HN 0.992 nan 8.190 nan 0.000 0.492 1178 R N 4.276 124.812 120.500 0.060 0.000 2.189 1178 R HA -0.291 4.049 4.340 -0.000 0.000 0.252 1178 R C 2.269 178.554 176.300 -0.025 0.000 1.134 1178 R CA 2.865 58.979 56.100 0.023 0.000 0.954 1178 R CB -0.465 29.838 30.300 0.004 0.000 0.890 1178 R HN 0.869 nan 8.270 nan 0.000 0.443 1179 R N -0.588 119.853 120.500 -0.098 0.000 2.103 1179 R HA -0.171 4.169 4.340 -0.000 0.000 0.242 1179 R C 1.442 177.530 176.300 -0.354 0.000 1.142 1179 R CA 2.154 58.084 56.100 -0.284 0.000 0.960 1179 R CB -0.283 29.730 30.300 -0.478 0.000 0.858 1179 R HN 0.375 nan 8.270 nan 0.000 0.439 1180 F N 0.588 120.553 119.950 0.025 0.000 2.693 1180 F HA 0.272 4.799 4.527 -0.000 0.000 0.303 1180 F C 0.451 176.253 175.800 0.004 0.000 1.097 1180 F CA -0.284 57.727 58.000 0.019 0.000 1.330 1180 F CB 0.420 39.430 39.000 0.017 0.000 1.067 1180 F HN -0.240 nan 8.300 nan 0.000 0.565 1181 K N 0.693 121.175 120.400 0.136 0.000 2.349 1181 K HA 0.262 4.582 4.320 -0.000 0.000 0.288 1181 K C 1.083 177.727 176.600 0.074 0.000 1.058 1181 K CA 0.584 56.954 56.287 0.138 0.000 0.953 1181 K CB 0.598 33.163 32.500 0.109 0.000 0.997 1181 K HN 0.361 nan 8.250 nan 0.000 0.477 1182 G N 2.235 111.095 108.800 0.099 0.000 2.168 1182 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.257 1182 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.257 1182 G C 0.788 175.649 174.900 -0.066 0.000 0.997 1182 G CA 0.941 46.056 45.100 0.025 0.000 0.708 1182 G HN 0.700 nan 8.290 nan 0.000 0.520 1183 S N -1.111 114.555 115.700 -0.057 0.000 2.414 1183 S HA 0.065 4.534 4.470 -0.000 0.000 0.227 1183 S C 2.241 176.611 174.600 -0.383 0.000 1.022 1183 S CA 1.536 59.566 58.200 -0.283 0.000 0.958 1183 S CB -0.206 62.974 63.200 -0.033 0.000 0.797 1183 S HN 0.832 nan 8.310 nan 0.000 0.493 1184 M N 2.082 121.694 119.600 0.021 0.000 2.086 1184 M HA -0.064 4.416 4.480 -0.000 0.000 0.261 1184 M C 2.235 178.562 176.300 0.044 0.000 1.067 1184 M CA 2.149 57.563 55.300 0.191 0.000 1.116 1184 M CB -0.384 32.389 32.600 0.288 0.000 1.348 1184 M HN 0.452 nan 8.290 nan 0.000 0.407 1185 E N -0.191 120.006 120.200 -0.004 0.000 2.153 1185 E HA -0.285 4.065 4.350 -0.000 0.000 0.194 1185 E C 1.858 178.417 176.600 -0.068 0.000 0.988 1185 E CA 1.660 58.050 56.400 -0.016 0.000 0.811 1185 E CB -0.118 29.573 29.700 -0.015 0.000 0.746 1185 E HN 0.760 nan 8.360 nan 0.000 0.466 1186 E N -0.393 119.685 120.200 -0.205 0.000 2.046 1186 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 1186 E C 1.673 178.202 176.600 -0.119 0.000 0.982 1186 E CA 1.335 57.572 56.400 -0.272 0.000 0.800 1186 E CB -0.201 29.171 29.700 -0.547 0.000 0.756 1186 E HN 0.431 nan 8.360 nan 0.000 0.449 1187 W N 0.985 122.290 121.300 0.009 0.000 2.363 1187 W HA -0.159 4.501 4.660 -0.000 0.000 0.296 1187 W C 2.521 179.003 176.519 -0.061 0.000 1.212 1187 W CA 0.319 57.637 57.345 -0.045 0.000 1.260 1187 W CB -0.078 29.307 29.460 -0.124 0.000 1.131 1187 W HN 0.176 nan 8.180 nan 0.000 0.530 1188 Q N 0.471 120.362 119.800 0.152 0.000 2.020 1188 Q HA -0.199 4.140 4.340 -0.000 0.000 0.202 1188 Q C 2.534 178.579 176.000 0.074 0.000 0.982 1188 Q CA 1.755 57.606 55.803 0.079 0.000 0.838 1188 Q CB -0.717 28.052 28.738 0.052 0.000 0.899 1188 Q HN 0.322 nan 8.270 nan 0.000 0.423 1189 A N 0.824 123.680 122.820 0.059 0.000 1.978 1189 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 1189 A C 1.933 179.556 177.584 0.065 0.000 1.170 1189 A CA 1.395 53.459 52.037 0.046 0.000 0.636 1189 A CB -0.454 18.556 19.000 0.017 0.000 0.810 1189 A HN 0.318 nan 8.150 nan 0.000 0.448 1190 M N -1.325 118.339 119.600 0.106 0.000 2.618 1190 M HA 0.153 4.633 4.480 -0.000 0.000 0.240 1190 M C 1.292 177.649 176.300 0.096 0.000 1.123 1190 M CA 0.771 56.144 55.300 0.121 0.000 1.060 1190 M CB 0.131 32.857 32.600 0.210 0.000 1.535 1190 M HN 0.636 nan 8.290 nan 0.000 0.507 1191 G N 0.792 109.643 108.800 0.086 0.000 2.132 1191 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.234 1191 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.234 1191 G C 0.010 174.936 174.900 0.043 0.000 0.989 1191 G CA -0.284 44.858 45.100 0.069 0.000 0.676 1191 G HN 0.305 nan 8.290 nan 0.000 0.522 1192 V N 1.621 121.556 119.914 0.034 0.000 2.585 1192 V HA 0.241 4.361 4.120 -0.000 0.000 0.296 1192 V C 1.865 177.906 176.094 -0.089 0.000 1.035 1192 V CA 0.894 63.164 62.300 -0.050 0.000 1.084 1192 V CB 1.264 33.029 31.823 -0.097 0.000 0.953 1192 V HN 0.404 nan 8.190 nan 0.000 0.483 1193 M N 3.211 122.742 119.600 -0.115 0.000 2.160 1193 M HA 0.055 4.535 4.480 -0.000 0.000 0.264 1193 M C 0.770 176.961 176.300 -0.183 0.000 1.073 1193 M CA 1.338 56.553 55.300 -0.142 0.000 1.142 1193 M CB -0.064 32.468 32.600 -0.115 0.000 1.358 1193 M HN 0.955 nan 8.290 nan 0.000 0.422 1194 N N -1.996 116.581 118.700 -0.205 0.000 3.277 1194 N HA 0.214 4.954 4.740 -0.000 0.000 0.278 1194 N C -1.837 173.518 175.510 -0.259 0.000 1.544 1194 N CA -0.666 52.266 53.050 -0.197 0.000 0.869 1194 N CB 1.228 39.653 38.487 -0.102 0.000 1.584 1194 N HN -0.067 nan 8.380 nan 0.000 0.564 1195 Y N -0.564 119.679 120.300 -0.095 0.000 2.446 1195 Y HA 0.518 5.068 4.550 -0.000 0.000 0.345 1195 Y C -0.147 175.691 175.900 -0.105 0.000 0.984 1195 Y CA -0.286 57.743 58.100 -0.117 0.000 1.058 1195 Y CB 1.809 40.182 38.460 -0.145 0.000 1.220 1195 Y HN 0.814 nan 8.280 nan 0.000 0.455 1196 E N 0.135 120.389 120.200 0.089 0.000 2.447 1196 E HA 0.481 4.831 4.350 -0.000 0.000 0.279 1196 E C -1.364 175.253 176.600 0.028 0.000 1.053 1196 E CA -0.755 55.669 56.400 0.040 0.000 0.840 1196 E CB 1.142 30.855 29.700 0.021 0.000 1.409 1196 E HN 0.480 nan 8.360 nan 0.000 0.461 1197 M N 0.057 119.674 119.600 0.028 0.000 2.412 1197 M HA 0.345 4.825 4.480 -0.000 0.000 0.315 1197 M C -0.182 176.126 176.300 0.013 0.000 1.092 1197 M CA 0.171 55.484 55.300 0.022 0.000 0.974 1197 M CB 0.544 33.168 32.600 0.039 0.000 1.437 1197 M HN 0.546 nan 8.290 nan 0.000 0.524 1198 E N -0.936 119.267 120.200 0.006 0.000 2.535 1198 E HA 0.060 4.410 4.350 -0.000 0.000 0.216 1198 E C 1.838 178.428 176.600 -0.017 0.000 0.845 1198 E CA 0.548 56.946 56.400 -0.004 0.000 1.306 1198 E CB 0.294 29.993 29.700 -0.001 0.000 1.291 1198 E HN 0.317 nan 8.360 nan 0.000 0.635 1199 S N 1.241 116.932 115.700 -0.015 0.000 2.359 1199 S HA -0.212 4.258 4.470 -0.000 0.000 0.224 1199 S C 2.293 176.878 174.600 -0.025 0.000 1.035 1199 S CA 1.177 59.364 58.200 -0.022 0.000 1.018 1199 S CB -0.596 62.592 63.200 -0.021 0.000 0.876 1199 S HN 0.245 nan 8.310 nan 0.000 0.448 1200 A N 2.015 124.825 122.820 -0.017 0.000 1.881 1200 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 1200 A C 2.502 180.083 177.584 -0.006 0.000 1.215 1200 A CA 2.693 54.727 52.037 -0.004 0.000 0.648 1200 A CB -1.959 17.045 19.000 0.007 0.000 0.832 1200 A HN 0.610 nan 8.150 nan 0.000 0.455 1201 T N -0.184 114.360 114.554 -0.016 0.000 2.674 1201 T HA -0.139 4.211 4.350 -0.000 0.000 0.265 1201 T C 1.878 176.494 174.700 -0.139 0.000 1.039 1201 T CA 1.532 63.608 62.100 -0.039 0.000 1.150 1201 T CB -0.510 68.342 68.868 -0.025 0.000 0.864 1201 T HN 0.375 nan 8.240 nan 0.000 0.427 1202 L N 1.014 122.156 121.223 -0.134 0.000 1.971 1202 L HA -0.094 4.246 4.340 -0.000 0.000 0.215 1202 L C 2.089 178.856 176.870 -0.172 0.000 1.072 1202 L CA 1.785 56.512 54.840 -0.189 0.000 0.758 1202 L CB -0.969 41.016 42.059 -0.123 0.000 0.889 1202 L HN 0.113 nan 8.230 nan 0.000 0.433 1203 L N -0.591 120.581 121.223 -0.084 0.000 2.017 1203 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 1203 L C 2.542 179.397 176.870 -0.025 0.000 1.073 1203 L CA 2.277 57.097 54.840 -0.034 0.000 0.745 1203 L CB -1.789 40.274 42.059 0.007 0.000 0.894 1203 L HN 0.341 nan 8.230 nan 0.000 0.432 1204 T N 0.072 114.609 114.554 -0.029 0.000 2.746 1204 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 1204 T C 1.785 176.371 174.700 -0.191 0.000 1.039 1204 T CA 1.797 63.882 62.100 -0.026 0.000 1.142 1204 T CB -0.241 68.642 68.868 0.025 0.000 0.866 1204 T HN 0.481 nan 8.240 nan 0.000 0.444 1205 M N -0.249 119.132 119.600 -0.365 0.000 2.349 1205 M HA 0.074 4.554 4.480 -0.000 0.000 0.266 1205 M C 2.086 178.122 176.300 -0.440 0.000 1.076 1205 M CA 1.243 56.120 55.300 -0.704 0.000 1.126 1205 M CB -0.840 30.873 32.600 -1.478 0.000 1.392 1205 M HN 0.158 nan 8.290 nan 0.000 0.440 1206 C N 1.292 120.417 119.300 -0.292 0.000 2.522 1206 C HA 0.263 4.723 4.460 -0.000 0.000 0.280 1206 C C 3.233 178.196 174.990 -0.044 0.000 1.303 1206 C CA 0.875 59.796 59.018 -0.161 0.000 1.709 1206 C CB -0.860 26.811 27.740 -0.115 0.000 2.071 1206 C HN 0.747 nan 8.230 nan 0.000 0.492 1207 A N 0.988 123.811 122.820 0.004 0.000 2.019 1207 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 1207 A C 2.097 179.758 177.584 0.128 0.000 1.164 1207 A CA 2.080 54.196 52.037 0.131 0.000 0.644 1207 A CB -0.543 18.622 19.000 0.276 0.000 0.805 1207 A HN 0.702 nan 8.150 nan 0.000 0.449 1208 S N -2.228 113.413 115.700 -0.099 0.000 2.557 1208 S HA 0.247 4.717 4.470 -0.000 0.000 0.223 1208 S C 0.739 175.288 174.600 -0.084 0.000 0.969 1208 S CA 0.048 58.110 58.200 -0.229 0.000 0.927 1208 S CB 0.138 62.990 63.200 -0.579 0.000 0.806 1208 S HN 0.579 nan 8.310 nan 0.000 0.489 1209 Q N 0.347 120.122 119.800 -0.042 0.000 2.038 1209 Q HA 0.317 4.657 4.340 -0.000 0.000 0.240 1209 Q C 0.489 176.503 176.000 0.023 0.000 0.831 1209 Q CA 0.009 55.807 55.803 -0.008 0.000 1.068 1209 Q CB 0.972 29.691 28.738 -0.032 0.000 1.241 1209 Q HN 0.643 nan 8.270 nan 0.000 0.435 1210 G N 1.488 110.314 108.800 0.042 0.000 2.283 1210 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.280 1210 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.280 1210 G C -0.169 174.774 174.900 0.071 0.000 1.029 1210 G CA 0.484 45.619 45.100 0.058 0.000 0.840 1210 G HN 0.289 nan 8.290 nan 0.000 0.505 1211 L N -0.887 120.383 121.223 0.079 0.000 2.342 1211 L HA 0.637 4.977 4.340 -0.000 0.000 0.271 1211 L C 0.811 177.765 176.870 0.141 0.000 1.008 1211 L CA -1.191 53.732 54.840 0.139 0.000 0.818 1211 L CB 1.639 43.816 42.059 0.197 0.000 1.296 1211 L HN 0.075 nan 8.230 nan 0.000 0.427 1212 R N 1.754 122.352 120.500 0.165 0.000 2.349 1212 R HA 0.780 5.120 4.340 -0.000 0.000 0.299 1212 R C -0.732 175.684 176.300 0.192 0.000 1.027 1212 R CA -0.517 55.664 56.100 0.136 0.000 0.958 1212 R CB 1.652 32.003 30.300 0.085 0.000 1.047 1212 R HN 0.685 nan 8.270 nan 0.000 0.468 1213 A N 1.398 124.298 122.820 0.133 0.000 2.449 1213 A HA 0.788 5.107 4.320 -0.000 0.000 0.302 1213 A C -0.714 176.914 177.584 0.073 0.000 1.048 1213 A CA -0.636 51.479 52.037 0.130 0.000 0.708 1213 A CB 2.182 21.227 19.000 0.075 0.000 1.274 1213 A HN 0.765 nan 8.150 nan 0.000 0.410 1214 G N 0.450 109.289 108.800 0.065 0.000 2.658 1214 G HA2 0.665 4.625 3.960 -0.000 0.000 0.292 1214 G HA3 0.665 4.625 3.960 -0.000 0.000 0.292 1214 G C -1.161 173.753 174.900 0.024 0.000 1.320 1214 G CA -0.509 44.608 45.100 0.028 0.000 0.933 1214 G HN 0.603 nan 8.290 nan 0.000 0.476 1215 M N 1.435 121.038 119.600 0.006 0.000 2.255 1215 M HA 0.442 4.922 4.480 -0.000 0.000 0.275 1215 M C -1.735 174.561 176.300 -0.008 0.000 1.050 1215 M CA -0.622 54.679 55.300 0.002 0.000 0.978 1215 M CB 1.371 33.970 32.600 -0.001 0.000 1.761 1215 M HN 0.571 nan 8.290 nan 0.000 0.479 1216 V N 3.633 123.542 119.914 -0.008 0.000 2.841 1216 V HA 1.034 5.154 4.120 -0.000 0.000 0.310 1216 V C -1.546 174.540 176.094 -0.013 0.000 1.090 1216 V CA -0.141 62.149 62.300 -0.016 0.000 0.930 1216 V CB 1.982 33.789 31.823 -0.026 0.000 1.014 1216 V HN 1.028 nan 8.190 nan 0.000 0.425 1217 A N 3.689 126.500 122.820 -0.014 0.000 2.594 1217 A HA 0.954 5.274 4.320 -0.000 0.000 0.291 1217 A C -0.283 177.296 177.584 -0.008 0.000 1.105 1217 A CA -0.262 51.770 52.037 -0.008 0.000 0.694 1217 A CB 1.907 20.904 19.000 -0.005 0.000 1.291 1217 A HN 1.752 nan 8.150 nan 0.000 0.410 1218 G N -0.082 108.719 108.800 0.002 0.000 2.422 1218 G HA2 0.532 4.492 3.960 -0.000 0.000 0.317 1218 G HA3 0.532 4.492 3.960 -0.000 0.000 0.317 1218 G C -0.645 174.263 174.900 0.013 0.000 1.210 1218 G CA -0.366 44.741 45.100 0.013 0.000 0.930 1218 G HN 0.898 nan 8.290 nan 0.000 0.468 1219 V N 4.205 124.124 119.914 0.009 0.000 2.421 1219 V HA 0.027 4.147 4.120 -0.000 0.000 0.271 1219 V C 1.437 177.537 176.094 0.010 0.000 1.031 1219 V CA 0.221 62.520 62.300 -0.002 0.000 1.032 1219 V CB 0.235 32.043 31.823 -0.025 0.000 1.009 1219 V HN 0.766 nan 8.190 nan 0.000 0.477 1220 I N 3.496 124.074 120.570 0.013 0.000 3.883 1220 I HA 0.525 4.695 4.170 -0.000 0.000 0.326 1220 I C 0.260 176.386 176.117 0.015 0.000 1.283 1220 I CA 0.304 61.615 61.300 0.017 0.000 1.161 1220 I CB 0.703 38.716 38.000 0.021 0.000 1.012 1220 I HN 0.420 nan 8.210 nan 0.000 0.421 1221 V N 0.707 120.626 119.914 0.008 0.000 3.174 1221 V HA 0.390 4.510 4.120 -0.000 0.000 0.280 1221 V C -2.025 174.066 176.094 -0.005 0.000 1.554 1221 V CA -0.671 61.633 62.300 0.007 0.000 1.016 1221 V CB 2.279 34.112 31.823 0.016 0.000 1.197 1221 V HN 0.365 nan 8.190 nan 0.000 0.453 1222 N N 4.086 122.784 118.700 -0.005 0.000 2.399 1222 N HA 0.438 5.178 4.740 -0.000 0.000 0.280 1222 N C 0.643 176.154 175.510 0.002 0.000 1.008 1222 N CA -0.630 52.413 53.050 -0.013 0.000 0.894 1222 N CB 2.015 40.488 38.487 -0.023 0.000 1.273 1222 N HN 0.650 nan 8.380 nan 0.000 0.486 1223 R N 0.876 121.382 120.500 0.010 0.000 2.193 1223 R HA -0.059 4.280 4.340 -0.000 0.000 0.229 1223 R C 1.429 177.746 176.300 0.028 0.000 1.110 1223 R CA 1.363 57.478 56.100 0.026 0.000 0.988 1223 R CB -0.658 29.676 30.300 0.057 0.000 0.871 1223 R HN 0.697 nan 8.270 nan 0.000 0.458 1224 T N -2.817 111.748 114.554 0.018 0.000 3.057 1224 T HA 0.094 4.444 4.350 -0.000 0.000 0.254 1224 T C 0.900 175.609 174.700 0.015 0.000 1.094 1224 T CA -0.070 62.041 62.100 0.018 0.000 1.088 1224 T CB 0.379 69.254 68.868 0.013 0.000 0.934 1224 T HN 0.101 nan 8.240 nan 0.000 0.497 1225 Q N 1.311 121.117 119.800 0.010 0.000 2.260 1225 Q HA 0.253 4.593 4.340 -0.000 0.000 0.242 1225 Q C 1.266 177.275 176.000 0.014 0.000 0.932 1225 Q CA -0.767 55.042 55.803 0.010 0.000 0.891 1225 Q CB 1.237 29.979 28.738 0.006 0.000 1.222 1225 Q HN 0.345 nan 8.270 nan 0.000 0.453 1226 Q N 1.173 120.981 119.800 0.014 0.000 2.165 1226 Q HA -0.052 4.288 4.340 -0.000 0.000 0.197 1226 Q C -0.274 175.736 176.000 0.016 0.000 0.952 1226 Q CA 1.007 56.819 55.803 0.016 0.000 0.848 1226 Q CB 0.020 28.767 28.738 0.015 0.000 0.931 1226 Q HN 0.710 nan 8.270 nan 0.000 0.470 1227 E N 1.513 121.722 120.200 0.014 0.000 2.229 1227 E HA 0.416 4.766 4.350 -0.000 0.000 0.283 1227 E C -0.782 175.826 176.600 0.014 0.000 1.030 1227 E CA -0.677 55.731 56.400 0.014 0.000 0.836 1227 E CB 0.862 30.569 29.700 0.012 0.000 1.068 1227 E HN 0.040 nan 8.360 nan 0.000 0.401 1228 I N 4.675 125.255 120.570 0.016 0.000 2.496 1228 I HA 0.043 4.213 4.170 -0.000 0.000 0.285 1228 I C -1.886 174.240 176.117 0.015 0.000 1.080 1228 I CA -2.307 59.004 61.300 0.018 0.000 1.404 1228 I CB -0.039 37.975 38.000 0.022 0.000 1.403 1228 I HN 0.473 nan 8.210 nan 0.000 0.539 1229 P HA -0.216 nan 4.420 nan 0.000 0.255 1229 P C -0.743 176.563 177.300 0.010 0.000 1.104 1229 P CA 0.506 63.613 63.100 0.012 0.000 0.764 1229 P CB -0.336 31.372 31.700 0.014 0.000 0.682 1230 N N 3.047 121.752 118.700 0.008 0.000 2.211 1230 N HA 0.075 4.815 4.740 -0.000 0.000 0.283 1230 N C 1.276 176.789 175.510 0.004 0.000 1.393 1230 N CA 0.300 53.354 53.050 0.006 0.000 0.954 1230 N CB -0.150 38.339 38.487 0.004 0.000 1.349 1230 N HN 0.667 nan 8.380 nan 0.000 0.491 1231 A N 2.788 125.611 122.820 0.005 0.000 5.483 1231 A HA -0.312 4.008 4.320 -0.000 0.000 0.309 1231 A C 1.080 178.666 177.584 0.003 0.000 1.898 1231 A CA 1.332 53.371 52.037 0.003 0.000 0.716 1231 A CB -0.635 18.365 19.000 0.001 0.000 1.309 1231 A HN 0.677 nan 8.150 nan 0.000 0.380 1232 E N -1.794 118.406 120.200 -0.000 0.000 2.508 1232 E HA 0.120 4.470 4.350 -0.000 0.000 0.217 1232 E C 1.747 178.344 176.600 -0.004 0.000 0.896 1232 E CA 0.853 57.252 56.400 -0.001 0.000 1.118 1232 E CB 0.127 29.825 29.700 -0.003 0.000 1.133 1232 E HN 0.713 nan 8.360 nan 0.000 0.526 1233 T N 1.620 116.170 114.554 -0.006 0.000 2.995 1233 T HA -0.022 4.328 4.350 -0.000 0.000 0.269 1233 T C 1.666 176.360 174.700 -0.010 0.000 1.091 1233 T CA 0.550 62.645 62.100 -0.010 0.000 1.128 1233 T CB 0.043 68.904 68.868 -0.011 0.000 0.891 1233 T HN -0.008 nan 8.240 nan 0.000 0.492 1234 M N 0.982 120.579 119.600 -0.005 0.000 2.374 1234 M HA 0.094 4.574 4.480 -0.000 0.000 0.264 1234 M C 0.564 176.865 176.300 0.002 0.000 1.067 1234 M CA 1.158 56.457 55.300 -0.002 0.000 1.103 1234 M CB -0.692 31.910 32.600 0.003 0.000 1.402 1234 M HN -0.100 nan 8.290 nan 0.000 0.444 1235 K N 1.416 121.817 120.400 0.002 0.000 3.322 1235 K HA -0.025 4.295 4.320 -0.000 0.000 0.291 1235 K C 1.200 177.801 176.600 0.002 0.000 1.131 1235 K CA 0.082 56.373 56.287 0.006 0.000 1.185 1235 K CB -0.680 31.822 32.500 0.004 0.000 1.338 1235 K HN 0.539 nan 8.250 nan 0.000 0.380 1236 Q N -2.473 117.326 119.800 -0.001 0.000 2.282 1236 Q HA 0.080 4.420 4.340 -0.000 0.000 0.206 1236 Q C 0.644 176.652 176.000 0.013 0.000 0.878 1236 Q CA 0.299 56.096 55.803 -0.009 0.000 0.944 1236 Q CB 0.256 28.974 28.738 -0.033 0.000 1.100 1236 Q HN -0.011 nan 8.270 nan 0.000 0.509 1237 T N 1.538 116.113 114.554 0.036 0.000 2.833 1237 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 1237 T C 1.464 176.217 174.700 0.088 0.000 1.054 1237 T CA 1.544 63.697 62.100 0.089 0.000 1.135 1237 T CB -0.079 68.831 68.868 0.070 0.000 0.869 1237 T HN 0.501 nan 8.240 nan 0.000 0.466 1238 E N 0.765 120.992 120.200 0.045 0.000 2.085 1238 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 1238 E C 2.331 178.952 176.600 0.035 0.000 0.994 1238 E CA 1.230 57.648 56.400 0.029 0.000 0.801 1238 E CB -0.187 29.519 29.700 0.010 0.000 0.743 1238 E HN 0.361 nan 8.360 nan 0.000 0.453 1239 S N -1.144 114.577 115.700 0.035 0.000 2.453 1239 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 1239 S C 1.715 176.368 174.600 0.089 0.000 1.005 1239 S CA 0.835 59.054 58.200 0.031 0.000 0.949 1239 S CB -0.289 62.914 63.200 0.004 0.000 0.774 1239 S HN 0.444 nan 8.310 nan 0.000 0.510 1240 H N 0.010 119.072 119.070 -0.014 0.000 2.284 1240 H HA 0.064 4.620 4.556 -0.000 0.000 0.304 1240 H C 2.351 177.672 175.328 -0.011 0.000 1.069 1240 H CA 0.963 57.004 56.048 -0.011 0.000 1.327 1240 H CB -0.182 29.577 29.762 -0.006 0.000 1.387 1240 H HN 0.488 nan 8.280 nan 0.000 0.498 1241 A N 0.406 123.263 122.820 0.062 0.000 1.978 1241 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 1241 A C 2.582 180.160 177.584 -0.011 0.000 1.170 1241 A CA 1.501 53.524 52.037 -0.024 0.000 0.636 1241 A CB -0.825 18.168 19.000 -0.010 0.000 0.810 1241 A HN 0.307 nan 8.150 nan 0.000 0.448 1242 V N 0.007 119.928 119.914 0.011 0.000 2.255 1242 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 1242 V C 2.467 178.559 176.094 -0.003 0.000 1.051 1242 V CA 2.510 64.809 62.300 -0.001 0.000 1.018 1242 V CB -0.703 31.117 31.823 -0.006 0.000 0.641 1242 V HN 0.575 nan 8.190 nan 0.000 0.445 1243 K N -0.326 120.083 120.400 0.016 0.000 2.103 1243 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 1243 K C 1.991 178.588 176.600 -0.005 0.000 1.048 1243 K CA 1.653 57.948 56.287 0.014 0.000 0.930 1243 K CB -0.328 32.201 32.500 0.050 0.000 0.716 1243 K HN 0.411 nan 8.250 nan 0.000 0.444 1244 I N 0.094 120.650 120.570 -0.023 0.000 2.226 1244 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 1244 I C 2.293 178.388 176.117 -0.037 0.000 1.100 1244 I CA 0.859 62.131 61.300 -0.047 0.000 1.374 1244 I CB -0.240 37.706 38.000 -0.091 0.000 1.057 1244 I HN 0.006 nan 8.210 nan 0.000 0.413 1245 V N 0.429 120.325 119.914 -0.030 0.000 2.407 1245 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 1245 V C 2.347 178.428 176.094 -0.021 0.000 1.055 1245 V CA 1.685 63.971 62.300 -0.024 0.000 1.049 1245 V CB 0.122 31.936 31.823 -0.015 0.000 0.662 1245 V HN 0.216 nan 8.190 nan 0.000 0.455 1246 V N -0.326 119.577 119.914 -0.019 0.000 2.379 1246 V HA -0.179 3.940 4.120 -0.000 0.000 0.245 1246 V C 2.463 178.546 176.094 -0.018 0.000 1.044 1246 V CA 2.158 64.447 62.300 -0.018 0.000 1.036 1246 V CB -0.537 31.276 31.823 -0.018 0.000 0.664 1246 V HN 0.605 nan 8.190 nan 0.000 0.453 1247 E N 0.577 120.765 120.200 -0.019 0.000 2.077 1247 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 1247 E C 2.175 178.760 176.600 -0.025 0.000 0.989 1247 E CA 1.472 57.861 56.400 -0.020 0.000 0.800 1247 E CB -0.438 29.251 29.700 -0.020 0.000 0.746 1247 E HN 0.526 nan 8.360 nan 0.000 0.452 1248 A N 0.647 123.449 122.820 -0.030 0.000 1.933 1248 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 1248 A C 2.406 179.971 177.584 -0.032 0.000 1.175 1248 A CA 1.911 53.927 52.037 -0.036 0.000 0.628 1248 A CB -0.951 18.025 19.000 -0.040 0.000 0.814 1248 A HN 0.358 nan 8.150 nan 0.000 0.444 1249 A N -0.209 122.595 122.820 -0.027 0.000 1.940 1249 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 1249 A C 2.207 179.776 177.584 -0.025 0.000 1.176 1249 A CA 1.571 53.592 52.037 -0.026 0.000 0.631 1249 A CB -0.542 18.444 19.000 -0.023 0.000 0.814 1249 A HN 0.546 nan 8.150 nan 0.000 0.446 1250 R N -0.579 119.908 120.500 -0.022 0.000 2.119 1250 R HA -0.183 4.157 4.340 -0.000 0.000 0.246 1250 R C 1.989 178.277 176.300 -0.019 0.000 1.146 1250 R CA 1.934 58.023 56.100 -0.018 0.000 0.962 1250 R CB -0.297 29.993 30.300 -0.016 0.000 0.863 1250 R HN 0.545 nan 8.270 nan 0.000 0.442 1251 R N 0.168 120.654 120.500 -0.023 0.000 2.313 1251 R HA 0.065 4.405 4.340 -0.000 0.000 0.199 1251 R C 1.100 177.386 176.300 -0.023 0.000 0.958 1251 R CA 0.412 56.498 56.100 -0.023 0.000 1.047 1251 R CB 0.217 30.499 30.300 -0.030 0.000 0.955 1251 R HN 0.186 nan 8.270 nan 0.000 0.481 1252 L N 0.268 121.476 121.223 -0.024 0.000 3.014 1252 L HA 0.217 4.557 4.340 -0.000 0.000 0.263 1252 L C -0.308 176.547 176.870 -0.024 0.000 1.207 1252 L CA -0.413 54.413 54.840 -0.023 0.000 1.017 1252 L CB 0.346 42.388 42.059 -0.028 0.000 1.360 1252 L HN 0.050 nan 8.230 nan 0.000 0.560 1253 L N 0.000 121.211 121.223 -0.021 0.000 2.949 1253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1253 L CA 0.000 54.827 54.840 -0.021 0.000 0.813 1253 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502