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 3i5p_1_A DATA FIRST_RESID 1000 DATA SEQUENCE DILGFRAIEH LRRAKEIXXX XYDSLNYHLK NATAXXXXXX XXXXIEKLKE DATA SEQUENCE AVSMMLSVNY YPKSIEFLLN IANSMDKGKL ACQYVANGFL ENDDRKQYYD DATA SEQUENCE KRILVYDLVF DTLIKVDXXX XXXXXXXXXX XXXXXXXXXX XLRQKSYEAA DATA SEQUENCE LKYNDRLFHY HMYDWLVSQN REEKLLDIET PFILPYLMEK AGXXXKISNI DATA SEQUENCE LWVYYSRRSK FFESAEILYR LATSNFDITL FERIEFLSRA NGFCXXXXXX DATA SEQUENCE XXXXXXXQLA SRIQDACEVA GIQGDILSLV YTDARIDSAI KDELIKTLDG DATA SEQUENCE KILSTSELFN DFAVPLSYHE IALFIFKIAD FRDHEVIMAK WDELFQSLRM DATA SEQUENCE EFNNTGKKED SMNFINLLSN VLIKIGKNVQ DSEFIFPIFE LFPIVCNFFY DATA SEQUENCE ETLPKEHIVS GSIVSIFITA GVSFNKMYYI LKELIETSDS DNSVFNKEMT DATA SEQUENCE WLIHEWYKSD RKFRDIISYN DIIHLKEYKI DNDPIEKYVK NSGNNLGICF DATA SEQUENCE YKE 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 1000 D HA 0.000 nan 4.640 nan 0.000 0.175 1000 D C 0.000 176.292 176.300 -0.013 0.000 2.045 1000 D CA 0.000 53.991 54.000 -0.015 0.000 0.868 1000 D CB 0.000 40.791 40.800 -0.014 0.000 0.688 1001 I N 1.382 121.944 120.570 -0.012 0.000 2.252 1001 I HA 0.438 4.609 4.170 0.001 0.000 0.245 1001 I C 3.486 179.596 176.117 -0.011 0.000 1.102 1001 I CA 3.224 64.517 61.300 -0.012 0.000 1.385 1001 I CB -1.813 36.181 38.000 -0.011 0.000 1.064 1001 I HN 1.464 nan 8.210 nan 0.000 0.414 1002 L N 0.889 122.106 121.223 -0.010 0.000 2.129 1002 L HA 0.049 4.389 4.340 0.001 0.000 0.212 1002 L C 2.782 179.647 176.870 -0.008 0.000 1.087 1002 L CA 3.031 57.866 54.840 -0.008 0.000 0.757 1002 L CB -2.347 39.708 42.059 -0.007 0.000 0.896 1002 L HN 0.709 nan 8.230 nan 0.000 0.434 1003 G N -2.096 106.698 108.800 -0.009 0.000 2.396 1003 G HA2 0.023 3.984 3.960 0.001 0.000 0.214 1003 G HA3 0.023 3.984 3.960 0.001 0.000 0.214 1003 G C 1.684 176.577 174.900 -0.011 0.000 1.166 1003 G CA 1.667 46.761 45.100 -0.009 0.000 0.793 1003 G HN 0.977 nan 8.290 nan 0.000 0.533 1004 F N 1.219 121.161 119.950 -0.013 0.000 2.171 1004 F HA 0.210 4.738 4.527 0.001 0.000 0.300 1004 F C 3.017 178.807 175.800 -0.016 0.000 1.090 1004 F CA 2.400 60.391 58.000 -0.015 0.000 1.293 1004 F CB -1.157 37.834 39.000 -0.014 0.000 1.013 1004 F HN 0.494 nan 8.300 nan 0.000 0.486 1005 R N 0.283 120.774 120.500 -0.014 0.000 2.075 1005 R HA 0.226 4.567 4.340 0.001 0.000 0.232 1005 R C 2.649 178.938 176.300 -0.018 0.000 1.126 1005 R CA 1.829 57.919 56.100 -0.016 0.000 0.963 1005 R CB -1.745 28.547 30.300 -0.013 0.000 0.858 1005 R HN 1.097 nan 8.270 nan 0.000 0.435 1006 A N 0.993 123.804 122.820 -0.015 0.000 1.877 1006 A HA 0.157 4.478 4.320 0.001 0.000 0.216 1006 A C 2.811 180.379 177.584 -0.027 0.000 1.186 1006 A CA 2.569 54.596 52.037 -0.017 0.000 0.620 1006 A CB -1.003 17.995 19.000 -0.004 0.000 0.822 1006 A HN 1.126 nan 8.150 nan 0.000 0.443 1007 I N -0.457 120.099 120.570 -0.024 0.000 2.264 1007 I HA -0.014 4.156 4.170 0.001 0.000 0.248 1007 I C 2.588 178.685 176.117 -0.033 0.000 1.111 1007 I CA 2.909 64.191 61.300 -0.030 0.000 1.382 1007 I CB -2.090 35.895 38.000 -0.024 0.000 1.060 1007 I HN 0.687 nan 8.210 nan 0.000 0.418 1008 E N 0.088 120.270 120.200 -0.029 0.000 2.072 1008 E HA -0.228 4.122 4.350 0.001 0.000 0.190 1008 E C 2.213 178.791 176.600 -0.036 0.000 0.982 1008 E CA 2.445 58.827 56.400 -0.030 0.000 0.803 1008 E CB -1.949 27.736 29.700 -0.024 0.000 0.755 1008 E HN 1.274 nan 8.360 nan 0.000 0.453 1009 H N -0.961 118.087 119.070 -0.037 0.000 2.422 1009 H HA 0.240 4.797 4.556 0.001 0.000 0.298 1009 H C 2.545 177.837 175.328 -0.061 0.000 1.098 1009 H CA 3.353 59.374 56.048 -0.045 0.000 1.315 1009 H CB -0.891 28.846 29.762 -0.041 0.000 1.382 1009 H HN 0.810 nan 8.280 nan 0.000 0.523 1010 L N 0.253 121.437 121.223 -0.064 0.000 2.375 1010 L HA 0.440 4.780 4.340 0.001 0.000 0.215 1010 L C 2.875 179.704 176.870 -0.068 0.000 1.108 1010 L CA 1.945 56.737 54.840 -0.080 0.000 0.830 1010 L CB -1.886 40.122 42.059 -0.085 0.000 0.959 1010 L HN 0.963 nan 8.230 nan 0.000 0.457 1011 R N 0.184 120.653 120.500 -0.053 0.000 2.075 1011 R HA -0.061 4.280 4.340 0.001 0.000 0.232 1011 R C 2.660 178.933 176.300 -0.045 0.000 1.126 1011 R CA 2.594 58.668 56.100 -0.044 0.000 0.963 1011 R CB -1.596 28.683 30.300 -0.035 0.000 0.858 1011 R HN 0.808 nan 8.270 nan 0.000 0.435 1012 R N 0.324 120.796 120.500 -0.046 0.000 2.092 1012 R HA 0.312 4.653 4.340 0.001 0.000 0.231 1012 R C 2.796 179.063 176.300 -0.055 0.000 1.119 1012 R CA 1.846 57.919 56.100 -0.045 0.000 0.970 1012 R CB -1.413 28.862 30.300 -0.042 0.000 0.864 1012 R HN 0.837 nan 8.270 nan 0.000 0.440 1013 A N 0.744 123.521 122.820 -0.072 0.000 1.933 1013 A HA 0.008 4.328 4.320 0.001 0.000 0.218 1013 A C 2.703 180.238 177.584 -0.082 0.000 1.175 1013 A CA 2.680 54.662 52.037 -0.093 0.000 0.628 1013 A CB -0.744 18.178 19.000 -0.130 0.000 0.814 1013 A HN 0.701 nan 8.150 nan 0.000 0.444 1014 K N -1.066 119.293 120.400 -0.068 0.000 2.025 1014 K HA -0.037 4.284 4.320 0.001 0.000 0.207 1014 K C 2.171 178.746 176.600 -0.042 0.000 1.049 1014 K CA 2.295 58.550 56.287 -0.053 0.000 0.933 1014 K CB -1.742 30.731 32.500 -0.045 0.000 0.714 1014 K HN 0.814 nan 8.250 nan 0.000 0.438 1015 E N 0.237 120.414 120.200 -0.038 0.000 2.147 1015 E HA 0.136 4.486 4.350 0.001 0.000 0.199 1015 E C 1.764 178.344 176.600 -0.032 0.000 1.005 1015 E CA 1.793 58.175 56.400 -0.031 0.000 0.810 1015 E CB -1.647 28.035 29.700 -0.029 0.000 0.736 1015 E HN 1.128 nan 8.360 nan 0.000 0.460 1022 D N 0.785 121.142 120.400 -0.073 0.000 2.104 1022 D HA -0.039 4.602 4.640 0.001 0.000 0.194 1022 D C 2.309 178.565 176.300 -0.073 0.000 0.994 1022 D CA 3.198 57.163 54.000 -0.058 0.000 0.830 1022 D CB -1.003 39.770 40.800 -0.045 0.000 0.959 1022 D HN 1.522 nan 8.370 nan 0.000 0.452 1023 S N -0.567 115.075 115.700 -0.095 0.000 2.423 1023 S HA 0.284 4.755 4.470 0.001 0.000 0.231 1023 S C 2.508 177.022 174.600 -0.143 0.000 1.014 1023 S CA 2.303 60.439 58.200 -0.105 0.000 0.965 1023 S CB -0.838 62.297 63.200 -0.110 0.000 0.785 1023 S HN 1.288 nan 8.310 nan 0.000 0.495 1024 L N 0.949 122.050 121.223 -0.202 0.000 2.017 1024 L HA 0.004 4.345 4.340 0.001 0.000 0.208 1024 L C 2.625 179.438 176.870 -0.094 0.000 1.073 1024 L CA 2.567 57.244 54.840 -0.272 0.000 0.745 1024 L CB -2.477 39.320 42.059 -0.436 0.000 0.894 1024 L HN 0.810 nan 8.230 nan 0.000 0.432 1025 N N -1.347 117.319 118.700 -0.057 0.000 2.223 1025 N HA -0.206 4.535 4.740 0.001 0.000 0.185 1025 N C 2.203 177.707 175.510 -0.009 0.000 1.016 1025 N CA 2.587 55.632 53.050 -0.009 0.000 0.863 1025 N CB -1.214 37.269 38.487 -0.007 0.000 0.983 1025 N HN 1.251 nan 8.380 nan 0.000 0.429 1026 Y N -0.539 119.741 120.300 -0.033 0.000 2.439 1026 Y HA 0.142 4.693 4.550 0.001 0.000 0.292 1026 Y C 2.858 178.743 175.900 -0.026 0.000 1.130 1026 Y CA 2.400 60.483 58.100 -0.027 0.000 1.254 1026 Y CB -1.767 36.670 38.460 -0.039 0.000 1.000 1026 Y HN 0.990 nan 8.280 nan 0.000 0.554 1027 H N -1.540 117.500 119.070 -0.049 0.000 2.384 1027 H HA 0.182 4.739 4.556 0.001 0.000 0.300 1027 H C 2.631 177.947 175.328 -0.020 0.000 1.057 1027 H CA 2.315 58.320 56.048 -0.072 0.000 1.370 1027 H CB -0.839 28.836 29.762 -0.145 0.000 1.417 1027 H HN 0.891 nan 8.280 nan 0.000 0.527 1028 L N 1.213 122.452 121.223 0.026 0.000 1.970 1028 L HA 0.069 4.410 4.340 0.001 0.000 0.212 1028 L C 2.974 179.921 176.870 0.130 0.000 1.071 1028 L CA 3.938 58.859 54.840 0.135 0.000 0.751 1028 L CB -2.117 40.014 42.059 0.119 0.000 0.889 1028 L HN 0.913 nan 8.230 nan 0.000 0.432 1029 K N 0.331 120.772 120.400 0.069 0.000 2.103 1029 K HA -0.209 4.112 4.320 0.001 0.000 0.207 1029 K C 2.219 178.851 176.600 0.052 0.000 1.048 1029 K CA 2.619 58.937 56.287 0.050 0.000 0.930 1029 K CB -2.432 30.084 32.500 0.027 0.000 0.716 1029 K HN 1.124 nan 8.250 nan 0.000 0.444 1030 N N 1.004 119.735 118.700 0.052 0.000 2.149 1030 N HA 0.035 4.775 4.740 0.001 0.000 0.188 1030 N C 2.463 178.021 175.510 0.081 0.000 1.019 1030 N CA 2.447 55.526 53.050 0.048 0.000 0.857 1030 N CB -0.757 37.748 38.487 0.029 0.000 0.997 1030 N HN 0.814 nan 8.380 nan 0.000 0.426 1031 A N -0.050 122.867 122.820 0.162 0.000 1.834 1031 A HA 0.083 4.403 4.320 0.001 0.000 0.216 1031 A C 2.828 180.439 177.584 0.045 0.000 1.203 1031 A CA 3.463 55.605 52.037 0.175 0.000 0.621 1031 A CB -1.687 17.521 19.000 0.346 0.000 0.841 1031 A HN 0.880 nan 8.150 nan 0.000 0.446 1032 T N -0.011 114.568 114.554 0.041 0.000 2.653 1032 T HA 0.060 4.411 4.350 0.001 0.000 0.267 1032 T C 1.446 176.144 174.700 -0.004 0.000 1.037 1032 T CA 3.006 65.109 62.100 0.005 0.000 1.159 1032 T CB -1.381 67.497 68.868 0.017 0.000 0.859 1032 T HN 1.404 nan 8.240 nan 0.000 0.449 1045 E N 1.775 121.943 120.200 -0.053 0.000 2.268 1045 E HA -0.011 4.340 4.350 0.001 0.000 0.195 1045 E C 2.222 178.802 176.600 -0.035 0.000 0.995 1045 E CA 3.052 59.427 56.400 -0.042 0.000 0.836 1045 E CB -1.095 28.584 29.700 -0.035 0.000 0.763 1045 E HN 1.748 nan 8.360 nan 0.000 0.491 1046 K N 0.832 121.212 120.400 -0.033 0.000 2.026 1046 K HA 0.085 4.405 4.320 0.001 0.000 0.208 1046 K C 2.360 178.950 176.600 -0.018 0.000 1.048 1046 K CA 1.376 57.648 56.287 -0.025 0.000 0.929 1046 K CB -1.013 31.472 32.500 -0.024 0.000 0.713 1046 K HN 0.492 nan 8.250 nan 0.000 0.439 1047 L N 0.386 121.595 121.223 -0.023 0.000 2.131 1047 L HA -0.183 4.158 4.340 0.001 0.000 0.210 1047 L C 2.700 179.571 176.870 0.002 0.000 1.092 1047 L CA 1.557 56.395 54.840 -0.004 0.000 0.759 1047 L CB -0.427 41.602 42.059 -0.049 0.000 0.903 1047 L HN 0.355 nan 8.230 nan 0.000 0.435 1048 K N 0.636 121.018 120.400 -0.030 0.000 1.985 1048 K HA -0.169 4.152 4.320 0.001 0.000 0.210 1048 K C 1.972 178.554 176.600 -0.030 0.000 1.047 1048 K CA 1.507 57.773 56.287 -0.036 0.000 0.932 1048 K CB -0.280 32.194 32.500 -0.044 0.000 0.716 1048 K HN 0.320 nan 8.250 nan 0.000 0.439 1049 E N 0.881 121.064 120.200 -0.028 0.000 2.108 1049 E HA -0.282 4.069 4.350 0.001 0.000 0.203 1049 E C 2.138 178.716 176.600 -0.037 0.000 1.022 1049 E CA 1.441 57.823 56.400 -0.030 0.000 0.823 1049 E CB -0.307 29.377 29.700 -0.026 0.000 0.744 1049 E HN 0.385 nan 8.360 nan 0.000 0.456 1050 A N 0.906 123.709 122.820 -0.028 0.000 1.917 1050 A HA -0.209 4.112 4.320 0.001 0.000 0.219 1050 A C 2.541 180.070 177.584 -0.092 0.000 1.182 1050 A CA 1.840 53.848 52.037 -0.048 0.000 0.633 1050 A CB -0.770 18.224 19.000 -0.009 0.000 0.819 1050 A HN 0.148 nan 8.150 nan 0.000 0.448 1051 V N -0.369 119.502 119.914 -0.071 0.000 2.307 1051 V HA -0.210 3.910 4.120 0.001 0.000 0.245 1051 V C 2.673 178.691 176.094 -0.126 0.000 1.045 1051 V CA 2.148 64.377 62.300 -0.117 0.000 1.024 1051 V CB -1.158 30.623 31.823 -0.070 0.000 0.651 1051 V HN 0.545 nan 8.190 nan 0.000 0.449 1052 S N 0.258 115.903 115.700 -0.092 0.000 2.400 1052 S HA -0.290 4.180 4.470 0.001 0.000 0.234 1052 S C 1.896 176.451 174.600 -0.076 0.000 1.049 1052 S CA 2.303 60.454 58.200 -0.081 0.000 1.039 1052 S CB -0.419 62.751 63.200 -0.050 0.000 0.856 1052 S HN 0.547 nan 8.310 nan 0.000 0.465 1053 M N 0.177 119.736 119.600 -0.069 0.000 2.288 1053 M HA 0.053 4.533 4.480 0.001 0.000 0.266 1053 M C 2.061 178.329 176.300 -0.053 0.000 1.072 1053 M CA 0.799 56.065 55.300 -0.057 0.000 1.132 1053 M CB -0.553 32.012 32.600 -0.057 0.000 1.386 1053 M HN 0.283 nan 8.290 nan 0.000 0.432 1054 M N 0.459 120.028 119.600 -0.052 0.000 2.082 1054 M HA -0.191 4.289 4.480 0.001 0.000 0.258 1054 M C 2.067 178.408 176.300 0.069 0.000 1.069 1054 M CA 1.656 57.005 55.300 0.082 0.000 1.102 1054 M CB -1.199 31.439 32.600 0.064 0.000 1.336 1054 M HN 0.274 nan 8.290 nan 0.000 0.404 1055 L N 0.802 121.959 121.223 -0.110 0.000 2.217 1055 L HA -0.082 4.259 4.340 0.001 0.000 0.211 1055 L C 2.864 179.742 176.870 0.013 0.000 1.107 1055 L CA 1.765 56.476 54.840 -0.215 0.000 0.783 1055 L CB -1.425 40.346 42.059 -0.479 0.000 0.919 1055 L HN 0.442 nan 8.230 nan 0.000 0.442 1056 S N -0.469 115.234 115.700 0.006 0.000 2.407 1056 S HA -0.196 4.275 4.470 0.001 0.000 0.235 1056 S C 1.576 176.207 174.600 0.052 0.000 1.036 1056 S CA 1.557 59.776 58.200 0.032 0.000 1.013 1056 S CB -1.179 62.022 63.200 0.001 0.000 0.820 1056 S HN 0.267 nan 8.310 nan 0.000 0.476 1057 V N 0.714 120.655 119.914 0.045 0.000 3.110 1057 V HA 0.380 4.501 4.120 0.001 0.000 0.368 1057 V C 0.328 176.492 176.094 0.117 0.000 1.332 1057 V CA -0.423 61.903 62.300 0.044 0.000 1.287 1057 V CB -1.355 30.450 31.823 -0.030 0.000 1.277 1057 V HN 0.430 nan 8.190 nan 0.000 0.502 1058 N N 0.510 119.336 118.700 0.210 0.000 2.614 1058 N HA -0.242 4.499 4.740 0.001 0.000 0.276 1058 N C -0.222 175.511 175.510 0.371 0.000 1.119 1058 N CA 1.252 54.505 53.050 0.339 0.000 0.742 1058 N CB -1.133 37.467 38.487 0.187 0.000 0.900 1058 N HN 0.855 nan 8.380 nan 0.000 0.549 1059 Y N 0.482 120.877 120.300 0.159 0.000 2.716 1059 Y HA 0.278 4.829 4.550 0.001 0.000 0.260 1059 Y C 0.636 176.539 175.900 0.006 0.000 1.141 1059 Y CA -0.961 57.153 58.100 0.024 0.000 1.168 1059 Y CB -0.192 38.215 38.460 -0.088 0.000 1.189 1059 Y HN 0.271 nan 8.280 nan 0.000 0.549 1060 Y N 0.861 121.127 120.300 -0.056 0.000 2.049 1060 Y HA -0.149 4.402 4.550 0.001 0.000 0.277 1060 Y C -0.235 175.546 175.900 -0.198 0.000 1.143 1060 Y CA 2.129 60.146 58.100 -0.139 0.000 1.115 1060 Y CB -1.986 36.431 38.460 -0.072 0.000 0.975 1060 Y HN 0.150 nan 8.280 nan 0.000 0.487 1061 P HA -0.205 nan 4.420 nan 0.000 0.213 1061 P C 0.971 178.211 177.300 -0.100 0.000 1.176 1061 P CA 2.417 65.513 63.100 -0.006 0.000 0.919 1061 P CB -0.074 31.655 31.700 0.047 0.000 0.791 1062 K N -0.818 119.498 120.400 -0.140 0.000 2.439 1062 K HA 0.045 4.366 4.320 0.001 0.000 0.197 1062 K C 2.135 178.493 176.600 -0.403 0.000 1.041 1062 K CA 0.673 56.853 56.287 -0.178 0.000 0.970 1062 K CB -0.340 32.154 32.500 -0.010 0.000 0.773 1062 K HN 0.053 nan 8.250 nan 0.000 0.479 1063 S N 1.179 116.502 115.700 -0.629 0.000 2.371 1063 S HA -0.021 4.450 4.470 0.001 0.000 0.224 1063 S C 1.853 176.339 174.600 -0.189 0.000 1.029 1063 S CA 0.796 58.666 58.200 -0.551 0.000 0.978 1063 S CB -0.079 62.754 63.200 -0.611 0.000 0.833 1063 S HN 0.207 nan 8.310 nan 0.000 0.466 1064 I N 1.786 122.221 120.570 -0.226 0.000 2.113 1064 I HA -0.228 3.942 4.170 0.001 0.000 0.238 1064 I C 2.459 178.382 176.117 -0.322 0.000 1.070 1064 I CA 1.387 62.531 61.300 -0.260 0.000 1.332 1064 I CB -0.591 37.264 38.000 -0.242 0.000 1.044 1064 I HN 0.343 nan 8.210 nan 0.000 0.402 1065 E N 0.721 120.766 120.200 -0.258 0.000 2.086 1065 E HA -0.305 4.046 4.350 0.001 0.000 0.200 1065 E C 2.077 178.570 176.600 -0.179 0.000 1.012 1065 E CA 1.905 58.157 56.400 -0.245 0.000 0.812 1065 E CB -0.518 29.151 29.700 -0.052 0.000 0.743 1065 E HN 0.470 nan 8.360 nan 0.000 0.453 1066 F N 1.931 121.740 119.950 -0.235 0.000 2.027 1066 F HA -0.276 4.252 4.527 0.001 0.000 0.297 1066 F C 2.061 177.721 175.800 -0.232 0.000 1.129 1066 F CA 1.682 59.565 58.000 -0.196 0.000 1.195 1066 F CB -0.531 38.345 39.000 -0.207 0.000 0.960 1066 F HN -0.105 nan 8.300 nan 0.000 0.485 1067 L N -0.047 120.854 121.223 -0.537 0.000 2.043 1067 L HA -0.279 4.062 4.340 0.001 0.000 0.212 1067 L C 2.597 179.109 176.870 -0.596 0.000 1.075 1067 L CA 1.488 55.938 54.840 -0.650 0.000 0.752 1067 L CB -0.761 41.057 42.059 -0.400 0.000 0.891 1067 L HN 0.334 nan 8.230 nan 0.000 0.432 1068 L N -0.883 119.993 121.223 -0.578 0.000 2.044 1068 L HA -0.169 4.172 4.340 0.001 0.000 0.205 1068 L C 2.350 179.012 176.870 -0.346 0.000 1.075 1068 L CA 0.939 55.420 54.840 -0.598 0.000 0.747 1068 L CB -0.624 40.795 42.059 -1.067 0.000 0.903 1068 L HN 0.308 nan 8.230 nan 0.000 0.435 1069 N N 0.432 118.976 118.700 -0.259 0.000 2.137 1069 N HA -0.184 4.557 4.740 0.001 0.000 0.190 1069 N C 1.827 177.216 175.510 -0.201 0.000 1.017 1069 N CA 1.359 54.342 53.050 -0.112 0.000 0.859 1069 N CB -0.248 38.201 38.487 -0.063 0.000 1.002 1069 N HN 0.331 nan 8.380 nan 0.000 0.428 1070 I N 0.596 120.946 120.570 -0.367 0.000 2.252 1070 I HA -0.207 3.963 4.170 0.001 0.000 0.245 1070 I C 2.191 178.127 176.117 -0.301 0.000 1.102 1070 I CA 0.840 61.915 61.300 -0.374 0.000 1.385 1070 I CB -0.340 37.312 38.000 -0.580 0.000 1.064 1070 I HN 0.074 nan 8.210 nan 0.000 0.414 1071 A N 0.985 123.597 122.820 -0.347 0.000 1.940 1071 A HA -0.216 4.105 4.320 0.001 0.000 0.219 1071 A C 2.008 179.471 177.584 -0.202 0.000 1.176 1071 A CA 1.861 53.694 52.037 -0.340 0.000 0.631 1071 A CB -0.584 18.130 19.000 -0.476 0.000 0.814 1071 A HN 0.418 nan 8.150 nan 0.000 0.446 1072 N N -0.135 118.487 118.700 -0.129 0.000 2.354 1072 N HA -0.031 4.709 4.740 0.001 0.000 0.179 1072 N C 1.763 177.235 175.510 -0.064 0.000 1.021 1072 N CA 1.240 54.257 53.050 -0.055 0.000 0.887 1072 N CB -0.231 38.260 38.487 0.006 0.000 0.974 1072 N HN 0.400 nan 8.380 nan 0.000 0.437 1073 S N 1.136 116.782 115.700 -0.089 0.000 2.428 1073 S HA -0.041 4.430 4.470 0.001 0.000 0.230 1073 S C 1.993 176.554 174.600 -0.065 0.000 1.014 1073 S CA 0.792 58.948 58.200 -0.074 0.000 0.957 1073 S CB -0.023 63.123 63.200 -0.090 0.000 0.784 1073 S HN 0.498 nan 8.310 nan 0.000 0.499 1074 M N 0.409 119.962 119.600 -0.077 0.000 2.325 1074 M HA 0.190 4.671 4.480 0.001 0.000 0.265 1074 M C 1.590 177.891 176.300 0.001 0.000 1.094 1074 M CA 1.503 56.778 55.300 -0.041 0.000 1.161 1074 M CB -0.501 32.062 32.600 -0.062 0.000 1.358 1074 M HN -0.088 nan 8.290 nan 0.000 0.446 1075 D N 1.719 122.104 120.400 -0.025 0.000 2.162 1075 D HA 0.039 4.679 4.640 0.001 0.000 0.203 1075 D C 0.829 177.062 176.300 -0.112 0.000 0.967 1075 D CA 2.134 56.096 54.000 -0.063 0.000 0.840 1075 D CB -0.054 40.712 40.800 -0.056 0.000 0.972 1075 D HN 0.395 nan 8.370 nan 0.000 0.482 1076 K N -0.280 120.078 120.400 -0.070 0.000 4.298 1076 K HA 0.059 4.380 4.320 0.001 0.000 0.272 1076 K C 0.371 176.923 176.600 -0.079 0.000 0.757 1076 K CA 1.186 57.437 56.287 -0.061 0.000 0.665 1076 K CB -2.212 30.261 32.500 -0.045 0.000 1.918 1076 K HN 0.557 nan 8.250 nan 0.000 0.412 1077 G N -2.899 105.847 108.800 -0.090 0.000 2.632 1077 G HA2 0.822 4.782 3.960 0.001 0.000 0.292 1077 G HA3 0.822 4.782 3.960 0.001 0.000 0.292 1077 G C 0.617 175.474 174.900 -0.071 0.000 1.465 1077 G CA 0.833 45.890 45.100 -0.072 0.000 0.824 1077 G HN 1.786 nan 8.290 nan 0.000 0.509 1078 K N -0.594 119.779 120.400 -0.044 0.000 3.467 1078 K HA -0.169 4.152 4.320 0.001 0.000 0.309 1078 K C 1.445 178.030 176.600 -0.025 0.000 1.350 1078 K CA 1.800 58.078 56.287 -0.014 0.000 0.934 1078 K CB -2.472 30.024 32.500 -0.007 0.000 1.312 1078 K HN 0.802 nan 8.250 nan 0.000 0.461 1079 L N -1.065 120.100 121.223 -0.095 0.000 2.072 1079 L HA 0.007 4.348 4.340 0.001 0.000 0.205 1079 L C 3.207 180.103 176.870 0.044 0.000 1.079 1079 L CA 1.651 56.421 54.840 -0.117 0.000 0.752 1079 L CB -0.573 41.230 42.059 -0.426 0.000 0.906 1079 L HN 0.690 nan 8.230 nan 0.000 0.436 1080 A N -0.469 122.416 122.820 0.109 0.000 1.883 1080 A HA -0.280 4.041 4.320 0.001 0.000 0.217 1080 A C 2.425 180.181 177.584 0.286 0.000 1.186 1080 A CA 2.009 54.221 52.037 0.292 0.000 0.624 1080 A CB -1.285 17.914 19.000 0.332 0.000 0.822 1080 A HN 0.545 nan 8.150 nan 0.000 0.444 1081 C N -1.028 118.377 119.300 0.174 0.000 2.396 1081 C HA -0.216 4.245 4.460 0.001 0.000 0.277 1081 C C 2.917 177.956 174.990 0.082 0.000 1.231 1081 C CA 1.559 60.642 59.018 0.108 0.000 1.775 1081 C CB -1.528 26.246 27.740 0.057 0.000 2.036 1081 C HN 0.716 nan 8.230 nan 0.000 0.484 1082 Q N -1.689 118.169 119.800 0.098 0.000 2.187 1082 Q HA -0.121 4.220 4.340 0.001 0.000 0.199 1082 Q C 1.933 178.001 176.000 0.113 0.000 0.957 1082 Q CA 1.257 57.109 55.803 0.082 0.000 0.857 1082 Q CB -0.321 28.460 28.738 0.072 0.000 0.929 1082 Q HN 0.894 nan 8.270 nan 0.000 0.453 1083 Y N 0.115 120.449 120.300 0.056 0.000 2.256 1083 Y HA -0.240 4.311 4.550 0.001 0.000 0.288 1083 Y C 2.024 177.923 175.900 -0.002 0.000 1.155 1083 Y CA 1.049 59.184 58.100 0.058 0.000 1.203 1083 Y CB -0.005 38.510 38.460 0.091 0.000 0.980 1083 Y HN -0.042 nan 8.280 nan 0.000 0.530 1084 V N 0.462 120.243 119.914 -0.222 0.000 2.488 1084 V HA -0.114 4.007 4.120 0.001 0.000 0.246 1084 V C 2.482 178.441 176.094 -0.225 0.000 1.046 1084 V CA 1.560 63.657 62.300 -0.338 0.000 1.053 1084 V CB -0.861 30.887 31.823 -0.126 0.000 0.679 1084 V HN 0.574 nan 8.190 nan 0.000 0.458 1085 A N 0.386 123.139 122.820 -0.112 0.000 2.084 1085 A HA -0.235 4.085 4.320 0.001 0.000 0.221 1085 A C 1.791 179.311 177.584 -0.107 0.000 1.161 1085 A CA 2.379 54.369 52.037 -0.078 0.000 0.653 1085 A CB -0.594 18.391 19.000 -0.025 0.000 0.802 1085 A HN 0.699 nan 8.150 nan 0.000 0.457 1086 N N -1.504 117.115 118.700 -0.135 0.000 2.454 1086 N HA 0.217 4.958 4.740 0.001 0.000 0.177 1086 N C 1.251 176.530 175.510 -0.385 0.000 1.049 1086 N CA 1.004 53.951 53.050 -0.172 0.000 0.887 1086 N CB -0.318 38.227 38.487 0.095 0.000 1.095 1086 N HN 0.556 nan 8.380 nan 0.000 0.446 1087 G N 0.408 108.940 108.800 -0.446 0.000 2.296 1087 G HA2 -0.316 3.645 3.960 0.001 0.000 0.282 1087 G HA3 -0.316 3.645 3.960 0.001 0.000 0.282 1087 G C -0.022 174.623 174.900 -0.424 0.000 1.014 1087 G CA 0.183 44.947 45.100 -0.561 0.000 0.812 1087 G HN 0.315 nan 8.290 nan 0.000 0.508 1088 F N -2.009 117.768 119.950 -0.289 0.000 2.368 1088 F HA 0.524 5.052 4.527 0.001 0.000 0.308 1088 F C 1.986 177.824 175.800 0.063 0.000 1.198 1088 F CA 0.127 58.087 58.000 -0.067 0.000 1.130 1088 F CB 0.720 39.718 39.000 -0.003 0.000 1.300 1088 F HN 0.103 nan 8.300 nan 0.000 0.537 1089 L N 0.195 121.691 121.223 0.456 0.000 2.556 1089 L HA 0.337 4.678 4.340 0.001 0.000 0.226 1089 L C 0.855 177.827 176.870 0.170 0.000 1.089 1089 L CA 0.946 55.948 54.840 0.271 0.000 0.864 1089 L CB -1.851 40.330 42.059 0.204 0.000 1.067 1089 L HN 0.652 nan 8.230 nan 0.000 0.477 1090 E N -0.233 120.014 120.200 0.079 0.000 2.391 1090 E HA 0.369 4.720 4.350 0.001 0.000 0.255 1090 E C 1.457 178.108 176.600 0.084 0.000 1.187 1090 E CA 0.432 56.826 56.400 -0.011 0.000 0.941 1090 E CB -0.936 28.647 29.700 -0.196 0.000 1.010 1090 E HN 1.142 nan 8.360 nan 0.000 0.458 1091 N N 0.077 118.805 118.700 0.047 0.000 2.314 1091 N HA -0.066 4.675 4.740 0.001 0.000 0.191 1091 N C 1.659 177.261 175.510 0.153 0.000 1.007 1091 N CA 3.175 56.270 53.050 0.075 0.000 0.883 1091 N CB -1.595 36.916 38.487 0.040 0.000 0.969 1091 N HN 1.728 nan 8.380 nan 0.000 0.441 1092 D N -1.527 118.969 120.400 0.160 0.000 3.403 1092 D HA -0.043 4.597 4.640 0.001 0.000 0.170 1092 D C 0.627 177.053 176.300 0.210 0.000 1.134 1092 D CA 2.825 56.961 54.000 0.227 0.000 0.950 1092 D CB -1.848 39.185 40.800 0.389 0.000 0.503 1092 D HN 1.619 nan 8.370 nan 0.000 0.496 1093 D N -0.255 120.302 120.400 0.260 0.000 2.336 1093 D HA 0.717 5.358 4.640 0.001 0.000 0.249 1093 D C 1.137 177.604 176.300 0.279 0.000 1.213 1093 D CA 1.335 55.466 54.000 0.218 0.000 0.870 1093 D CB -0.452 40.455 40.800 0.178 0.000 1.076 1093 D HN 1.498 nan 8.370 nan 0.000 0.483 1094 R N 1.341 121.990 120.500 0.248 0.000 2.531 1094 R HA -0.036 4.305 4.340 0.001 0.000 0.269 1094 R C 1.510 177.807 176.300 -0.005 0.000 0.898 1094 R CA 1.309 57.516 56.100 0.179 0.000 1.111 1094 R CB -0.869 29.573 30.300 0.237 0.000 0.865 1094 R HN 0.970 nan 8.270 nan 0.000 0.427 1095 K N 1.442 121.677 120.400 -0.275 0.000 2.097 1095 K HA -0.274 4.047 4.320 0.001 0.000 0.205 1095 K C 2.253 178.600 176.600 -0.422 0.000 1.050 1095 K CA 1.720 57.518 56.287 -0.815 0.000 0.938 1095 K CB 0.015 32.225 32.500 -0.483 0.000 0.718 1095 K HN 0.885 nan 8.250 nan 0.000 0.442 1096 Q N -0.021 119.589 119.800 -0.318 0.000 2.142 1096 Q HA -0.295 4.046 4.340 0.001 0.000 0.213 1096 Q C 1.631 177.419 176.000 -0.354 0.000 1.004 1096 Q CA 2.238 57.822 55.803 -0.364 0.000 0.883 1096 Q CB -1.077 27.358 28.738 -0.504 0.000 0.939 1096 Q HN 0.490 nan 8.270 nan 0.000 0.413 1097 Y N -0.276 119.951 120.300 -0.121 0.000 2.181 1097 Y HA -0.231 4.320 4.550 0.001 0.000 0.288 1097 Y C 2.432 178.280 175.900 -0.086 0.000 1.146 1097 Y CA 1.344 59.388 58.100 -0.094 0.000 1.164 1097 Y CB -0.924 37.508 38.460 -0.047 0.000 0.982 1097 Y HN 0.270 nan 8.280 nan 0.000 0.515 1098 Y N 1.397 121.669 120.300 -0.047 0.000 2.089 1098 Y HA -0.269 4.282 4.550 0.001 0.000 0.282 1098 Y C 2.051 177.910 175.900 -0.068 0.000 1.139 1098 Y CA 1.946 60.032 58.100 -0.022 0.000 1.123 1098 Y CB -0.694 37.757 38.460 -0.017 0.000 0.980 1098 Y HN 0.043 nan 8.280 nan 0.000 0.493 1099 D N 0.185 120.495 120.400 -0.150 0.000 2.203 1099 D HA -0.190 4.451 4.640 0.001 0.000 0.199 1099 D C 1.973 178.115 176.300 -0.264 0.000 0.997 1099 D CA 1.678 55.555 54.000 -0.206 0.000 0.863 1099 D CB -0.147 40.603 40.800 -0.083 0.000 0.928 1099 D HN 0.472 nan 8.370 nan 0.000 0.458 1100 K N 0.162 120.414 120.400 -0.248 0.000 1.973 1100 K HA -0.003 4.318 4.320 0.001 0.000 0.210 1100 K C 2.218 178.605 176.600 -0.355 0.000 1.045 1100 K CA 0.807 56.941 56.287 -0.254 0.000 0.937 1100 K CB -0.088 32.286 32.500 -0.209 0.000 0.721 1100 K HN 0.038 nan 8.250 nan 0.000 0.438 1101 R N 1.227 121.472 120.500 -0.425 0.000 2.139 1101 R HA -0.154 4.186 4.340 0.001 0.000 0.243 1101 R C 2.521 178.285 176.300 -0.894 0.000 1.145 1101 R CA 1.748 57.413 56.100 -0.725 0.000 0.976 1101 R CB -0.892 28.992 30.300 -0.694 0.000 0.866 1101 R HN 0.450 nan 8.270 nan 0.000 0.449 1102 I N -1.137 119.076 120.570 -0.595 0.000 2.226 1102 I HA -0.244 3.927 4.170 0.001 0.000 0.245 1102 I C 1.955 177.902 176.117 -0.283 0.000 1.100 1102 I CA 1.567 62.634 61.300 -0.389 0.000 1.374 1102 I CB -0.516 37.225 38.000 -0.432 0.000 1.057 1102 I HN 0.035 nan 8.210 nan 0.000 0.413 1103 L N 0.994 122.039 121.223 -0.297 0.000 2.012 1103 L HA -0.164 4.176 4.340 0.001 0.000 0.210 1103 L C 2.837 179.543 176.870 -0.273 0.000 1.073 1103 L CA 1.342 56.046 54.840 -0.226 0.000 0.748 1103 L CB -0.814 41.125 42.059 -0.201 0.000 0.891 1103 L HN 0.194 nan 8.230 nan 0.000 0.431 1104 V N -1.023 118.663 119.914 -0.380 0.000 2.261 1104 V HA -0.342 3.778 4.120 0.001 0.000 0.246 1104 V C 2.203 178.036 176.094 -0.436 0.000 1.047 1104 V CA 1.889 63.935 62.300 -0.424 0.000 1.015 1104 V CB -0.945 30.556 31.823 -0.536 0.000 0.642 1104 V HN 0.313 nan 8.190 nan 0.000 0.446 1105 Y N 0.665 120.674 120.300 -0.484 0.000 2.014 1105 Y HA -0.331 4.220 4.550 0.001 0.000 0.272 1105 Y C 2.799 178.087 175.900 -1.021 0.000 1.164 1105 Y CA 1.393 59.067 58.100 -0.710 0.000 1.114 1105 Y CB -0.516 37.635 38.460 -0.514 0.000 0.961 1105 Y HN 0.257 nan 8.280 nan 0.000 0.489 1106 D N 0.400 120.563 120.400 -0.395 0.000 2.170 1106 D HA -0.226 4.415 4.640 0.001 0.000 0.193 1106 D C 2.111 178.258 176.300 -0.255 0.000 1.004 1106 D CA 1.397 55.288 54.000 -0.181 0.000 0.860 1106 D CB -0.592 40.203 40.800 -0.007 0.000 0.931 1106 D HN 0.326 nan 8.370 nan 0.000 0.448 1107 L N 0.282 121.342 121.223 -0.271 0.000 2.131 1107 L HA -0.147 4.194 4.340 0.001 0.000 0.210 1107 L C 2.413 179.112 176.870 -0.285 0.000 1.092 1107 L CA 0.486 55.192 54.840 -0.224 0.000 0.759 1107 L CB -0.096 41.840 42.059 -0.204 0.000 0.903 1107 L HN -0.028 nan 8.230 nan 0.000 0.435 1108 V N -0.988 118.659 119.914 -0.445 0.000 2.626 1108 V HA -0.256 3.865 4.120 0.001 0.000 0.252 1108 V C 2.039 177.871 176.094 -0.438 0.000 1.067 1108 V CA 1.682 63.706 62.300 -0.460 0.000 1.081 1108 V CB -0.678 30.816 31.823 -0.548 0.000 0.686 1108 V HN 0.297 nan 8.190 nan 0.000 0.468 1109 F N 0.319 120.021 119.950 -0.414 0.000 2.118 1109 F HA -0.068 4.459 4.527 0.001 0.000 0.293 1109 F C 2.447 178.038 175.800 -0.350 0.000 1.102 1109 F CA 0.854 58.393 58.000 -0.769 0.000 1.247 1109 F CB -0.504 37.800 39.000 -1.159 0.000 1.017 1109 F HN 0.134 nan 8.300 nan 0.000 0.475 1110 D N -0.127 120.265 120.400 -0.012 0.000 2.203 1110 D HA -0.204 4.437 4.640 0.001 0.000 0.199 1110 D C 2.150 178.468 176.300 0.030 0.000 0.997 1110 D CA 1.940 55.966 54.000 0.043 0.000 0.863 1110 D CB -0.835 39.971 40.800 0.010 0.000 0.928 1110 D HN 0.237 nan 8.370 nan 0.000 0.458 1111 T N -0.389 114.142 114.554 -0.039 0.000 2.894 1111 T HA 0.009 4.360 4.350 0.001 0.000 0.258 1111 T C 2.200 176.936 174.700 0.061 0.000 1.043 1111 T CA 0.180 62.270 62.100 -0.016 0.000 1.141 1111 T CB -0.241 68.557 68.868 -0.116 0.000 0.873 1111 T HN 0.039 nan 8.240 nan 0.000 0.449 1112 L N 0.659 121.867 121.223 -0.025 0.000 2.042 1112 L HA -0.063 4.278 4.340 0.001 0.000 0.210 1112 L C 2.571 179.517 176.870 0.126 0.000 1.076 1112 L CA 1.498 56.307 54.840 -0.051 0.000 0.749 1112 L CB -0.463 41.493 42.059 -0.172 0.000 0.893 1112 L HN 0.374 nan 8.230 nan 0.000 0.432 1113 I N -0.242 120.472 120.570 0.240 0.000 2.194 1113 I HA -0.372 3.798 4.170 0.001 0.000 0.246 1113 I C 2.352 178.591 176.117 0.203 0.000 1.093 1113 I CA 1.554 63.035 61.300 0.301 0.000 1.355 1113 I CB -0.461 37.718 38.000 0.298 0.000 1.046 1113 I HN 0.272 nan 8.210 nan 0.000 0.413 1114 K N 0.866 121.375 120.400 0.181 0.000 2.360 1114 K HA -0.079 4.242 4.320 0.001 0.000 0.201 1114 K C 1.866 178.543 176.600 0.129 0.000 1.046 1114 K CA 1.331 57.727 56.287 0.181 0.000 0.945 1114 K CB -0.367 32.276 32.500 0.238 0.000 0.750 1114 K HN 0.440 nan 8.250 nan 0.000 0.464 1115 V N 1.516 121.478 119.914 0.079 0.000 3.592 1115 V HA -0.080 4.041 4.120 0.001 0.000 0.272 1115 V C 0.809 176.912 176.094 0.015 0.000 1.228 1115 V CA 1.650 63.892 62.300 -0.096 0.000 1.173 1115 V CB -1.620 30.129 31.823 -0.124 0.000 0.873 1115 V HN 0.272 nan 8.190 nan 0.000 0.476 1142 R N 0.113 120.639 120.500 0.044 0.000 2.310 1142 R HA 0.525 4.865 4.340 0.001 0.000 0.202 1142 R C 1.850 178.278 176.300 0.213 0.000 0.933 1142 R CA 2.232 58.377 56.100 0.075 0.000 1.054 1142 R CB -1.075 29.273 30.300 0.080 0.000 0.985 1142 R HN 1.710 nan 8.270 nan 0.000 0.489 1143 Q N -0.461 119.442 119.800 0.172 0.000 2.339 1143 Q HA 0.190 4.530 4.340 0.001 0.000 0.205 1143 Q C 2.448 178.569 176.000 0.202 0.000 0.925 1143 Q CA 1.198 57.130 55.803 0.215 0.000 0.898 1143 Q CB -0.538 28.267 28.738 0.113 0.000 1.013 1143 Q HN 0.739 nan 8.270 nan 0.000 0.504 1144 K N 1.052 121.533 120.400 0.135 0.000 2.442 1144 K HA -0.015 4.306 4.320 0.001 0.000 0.198 1144 K C 2.232 178.899 176.600 0.111 0.000 1.042 1144 K CA 1.740 58.095 56.287 0.113 0.000 0.958 1144 K CB -0.640 31.910 32.500 0.084 0.000 0.766 1144 K HN 0.816 nan 8.250 nan 0.000 0.474 1145 S N -1.314 114.450 115.700 0.108 0.000 2.470 1145 S HA 0.036 4.507 4.470 0.001 0.000 0.222 1145 S C 1.975 176.584 174.600 0.015 0.000 1.024 1145 S CA 0.605 58.828 58.200 0.038 0.000 0.931 1145 S CB -0.451 62.737 63.200 -0.019 0.000 0.791 1145 S HN 0.587 nan 8.310 nan 0.000 0.513 1146 Y N 2.172 122.537 120.300 0.109 0.000 2.176 1146 Y HA 0.156 4.707 4.550 0.001 0.000 0.291 1146 Y C 2.453 178.443 175.900 0.150 0.000 1.122 1146 Y CA 1.115 59.299 58.100 0.140 0.000 1.128 1146 Y CB -0.295 38.249 38.460 0.139 0.000 1.005 1146 Y HN 0.256 nan 8.280 nan 0.000 0.509 1147 E N 0.044 120.419 120.200 0.291 0.000 2.533 1147 E HA -0.111 4.240 4.350 0.001 0.000 0.203 1147 E C 1.732 178.454 176.600 0.205 0.000 1.101 1147 E CA 0.373 56.909 56.400 0.227 0.000 0.894 1147 E CB -0.052 29.752 29.700 0.174 0.000 0.843 1147 E HN 0.481 nan 8.360 nan 0.000 0.552 1148 A N 1.010 123.938 122.820 0.180 0.000 1.871 1148 A HA 0.171 4.492 4.320 0.001 0.000 0.211 1148 A C 2.319 180.010 177.584 0.179 0.000 1.207 1148 A CA 0.882 53.007 52.037 0.147 0.000 0.620 1148 A CB -0.353 18.685 19.000 0.064 0.000 0.860 1148 A HN 0.281 nan 8.150 nan 0.000 0.450 1149 A N 0.212 123.129 122.820 0.162 0.000 1.858 1149 A HA -0.057 4.264 4.320 0.001 0.000 0.216 1149 A C 2.185 180.025 177.584 0.427 0.000 1.190 1149 A CA 1.597 53.776 52.037 0.237 0.000 0.617 1149 A CB -0.812 18.384 19.000 0.327 0.000 0.827 1149 A HN 0.453 nan 8.150 nan 0.000 0.443 1150 L N -0.895 120.591 121.223 0.439 0.000 1.970 1150 L HA -0.124 4.216 4.340 0.001 0.000 0.212 1150 L C 1.674 178.893 176.870 0.582 0.000 1.071 1150 L CA 1.505 56.711 54.840 0.609 0.000 0.751 1150 L CB -0.449 41.860 42.059 0.417 0.000 0.889 1150 L HN 0.195 nan 8.230 nan 0.000 0.432 1151 K N 0.146 120.784 120.400 0.397 0.000 2.715 1151 K HA 0.015 4.335 4.320 0.001 0.000 0.248 1151 K C -1.420 175.416 176.600 0.393 0.000 1.276 1151 K CA 0.235 56.719 56.287 0.327 0.000 1.209 1151 K CB -0.954 31.681 32.500 0.226 0.000 1.509 1151 K HN 0.164 nan 8.250 nan 0.000 0.261 1152 Y N 0.597 121.099 120.300 0.335 0.000 2.299 1152 Y HA 0.251 4.801 4.550 0.001 0.000 0.318 1152 Y C -1.164 174.934 175.900 0.330 0.000 1.205 1152 Y CA -1.157 57.098 58.100 0.258 0.000 1.106 1152 Y CB 0.925 39.475 38.460 0.150 0.000 1.246 1152 Y HN 0.155 nan 8.280 nan 0.000 0.415 1153 N N 4.653 123.299 118.700 -0.090 0.000 2.400 1153 N HA 0.156 4.897 4.740 0.001 0.000 0.278 1153 N C -1.515 173.967 175.510 -0.047 0.000 1.247 1153 N CA 0.723 53.774 53.050 0.002 0.000 0.970 1153 N CB 0.163 38.655 38.487 0.009 0.000 1.312 1153 N HN 0.538 nan 8.380 nan 0.000 0.488 1154 D N 0.963 121.364 120.400 0.002 0.000 2.312 1154 D HA 0.171 4.812 4.640 0.001 0.000 0.229 1154 D C 0.608 176.900 176.300 -0.013 0.000 1.337 1154 D CA -0.436 53.606 54.000 0.070 0.000 0.964 1154 D CB 0.430 41.405 40.800 0.291 0.000 1.456 1154 D HN 0.165 nan 8.370 nan 0.000 0.547 1155 R N 1.714 122.077 120.500 -0.228 0.000 2.103 1155 R HA -0.109 4.232 4.340 0.001 0.000 0.234 1155 R C 1.973 178.306 176.300 0.056 0.000 1.132 1155 R CA 1.468 57.479 56.100 -0.149 0.000 0.925 1155 R CB -0.277 29.974 30.300 -0.082 0.000 0.842 1155 R HN 0.443 nan 8.270 nan 0.000 0.430 1156 L N -0.065 121.189 121.223 0.053 0.000 2.064 1156 L HA -0.280 4.060 4.340 0.001 0.000 0.216 1156 L C 2.487 179.435 176.870 0.129 0.000 1.077 1156 L CA 1.451 56.400 54.840 0.182 0.000 0.766 1156 L CB -0.650 41.597 42.059 0.313 0.000 0.890 1156 L HN 0.202 nan 8.230 nan 0.000 0.435 1157 F N 0.562 120.341 119.950 -0.284 0.000 2.051 1157 F HA -0.225 4.303 4.527 0.001 0.000 0.296 1157 F C 2.791 178.314 175.800 -0.461 0.000 1.122 1157 F CA 1.687 59.244 58.000 -0.738 0.000 1.201 1157 F CB -0.735 37.887 39.000 -0.629 0.000 0.978 1157 F HN 0.086 nan 8.300 nan 0.000 0.472 1158 H N -1.238 117.478 119.070 -0.591 0.000 2.289 1158 H HA -0.230 4.327 4.556 0.001 0.000 0.296 1158 H C 2.393 177.089 175.328 -1.053 0.000 1.091 1158 H CA 2.406 57.854 56.048 -1.001 0.000 1.274 1158 H CB -1.275 28.157 29.762 -0.551 0.000 1.364 1158 H HN 0.391 nan 8.280 nan 0.000 0.490 1159 Y N 0.325 120.404 120.300 -0.368 0.000 2.228 1159 Y HA -0.264 4.286 4.550 0.001 0.000 0.285 1159 Y C 2.811 178.523 175.900 -0.314 0.000 1.178 1159 Y CA 1.328 59.320 58.100 -0.180 0.000 1.202 1159 Y CB -0.041 38.463 38.460 0.072 0.000 0.974 1159 Y HN 0.383 nan 8.280 nan 0.000 0.527 1160 H N -1.775 117.217 119.070 -0.130 0.000 2.520 1160 H HA -0.023 4.534 4.556 0.001 0.000 0.279 1160 H C 2.204 177.417 175.328 -0.193 0.000 0.990 1160 H CA 0.911 56.938 56.048 -0.035 0.000 1.288 1160 H CB -0.021 29.782 29.762 0.068 0.000 1.446 1160 H HN 0.403 nan 8.280 nan 0.000 0.538 1161 M N 0.398 119.762 119.600 -0.394 0.000 2.086 1161 M HA -0.209 4.271 4.480 0.001 0.000 0.261 1161 M C 1.713 177.882 176.300 -0.218 0.000 1.067 1161 M CA 1.638 56.672 55.300 -0.443 0.000 1.116 1161 M CB -0.107 32.000 32.600 -0.822 0.000 1.348 1161 M HN 0.085 nan 8.290 nan 0.000 0.407 1162 Y N 1.066 121.165 120.300 -0.335 0.000 2.070 1162 Y HA -0.281 4.269 4.550 0.001 0.000 0.280 1162 Y C 2.300 178.056 175.900 -0.240 0.000 1.148 1162 Y CA 1.247 59.079 58.100 -0.447 0.000 1.125 1162 Y CB -1.588 36.136 38.460 -1.226 0.000 0.975 1162 Y HN 0.316 nan 8.280 nan 0.000 0.492 1163 D N -1.003 119.393 120.400 -0.007 0.000 2.149 1163 D HA -0.254 4.386 4.640 0.001 0.000 0.194 1163 D C 1.963 178.277 176.300 0.022 0.000 1.001 1163 D CA 1.585 55.641 54.000 0.094 0.000 0.849 1163 D CB -0.819 40.045 40.800 0.106 0.000 0.939 1163 D HN 0.591 nan 8.370 nan 0.000 0.449 1164 W N 1.403 122.527 121.300 -0.294 0.000 2.402 1164 W HA -0.041 4.620 4.660 0.001 0.000 0.286 1164 W C 1.866 178.230 176.519 -0.258 0.000 1.221 1164 W CA 0.713 57.804 57.345 -0.423 0.000 1.257 1164 W CB -0.369 28.426 29.460 -1.108 0.000 1.120 1164 W HN -0.085 nan 8.180 nan 0.000 0.551 1165 L N -0.272 120.706 121.223 -0.408 0.000 2.109 1165 L HA -0.143 4.198 4.340 0.001 0.000 0.207 1165 L C 2.429 179.106 176.870 -0.321 0.000 1.086 1165 L CA 0.947 55.480 54.840 -0.510 0.000 0.760 1165 L CB -1.150 40.773 42.059 -0.226 0.000 0.910 1165 L HN -0.084 nan 8.230 nan 0.000 0.437 1166 V N -0.432 119.382 119.914 -0.166 0.000 2.667 1166 V HA -0.214 3.907 4.120 0.001 0.000 0.252 1166 V C 2.618 178.639 176.094 -0.121 0.000 1.065 1166 V CA 1.862 64.101 62.300 -0.101 0.000 1.083 1166 V CB 0.016 31.833 31.823 -0.011 0.000 0.692 1166 V HN 0.663 nan 8.190 nan 0.000 0.468 1167 S N 1.546 117.159 115.700 -0.146 0.000 2.348 1167 S HA -0.256 4.215 4.470 0.001 0.000 0.221 1167 S C 1.527 176.038 174.600 -0.148 0.000 1.033 1167 S CA 1.421 59.552 58.200 -0.114 0.000 1.010 1167 S CB -0.603 62.548 63.200 -0.081 0.000 0.891 1167 S HN 0.791 nan 8.310 nan 0.000 0.442 1168 Q N 1.523 121.170 119.800 -0.254 0.000 2.244 1168 Q HA 0.432 4.773 4.340 0.001 0.000 0.239 1168 Q C -0.297 175.577 176.000 -0.210 0.000 0.890 1168 Q CA -0.219 55.448 55.803 -0.226 0.000 0.964 1168 Q CB -0.743 27.828 28.738 -0.279 0.000 1.076 1168 Q HN 0.373 nan 8.270 nan 0.000 0.447 1169 N N 0.938 119.533 118.700 -0.176 0.000 2.714 1169 N HA -0.223 4.517 4.740 0.001 0.000 0.250 1169 N C -0.465 174.957 175.510 -0.147 0.000 1.117 1169 N CA 0.820 53.787 53.050 -0.137 0.000 0.719 1169 N CB -0.728 37.697 38.487 -0.104 0.000 1.081 1169 N HN 0.553 nan 8.380 nan 0.000 0.557 1170 R N 0.789 121.170 120.500 -0.198 0.000 2.541 1170 R HA 0.041 4.382 4.340 0.001 0.000 0.245 1170 R C 1.170 177.384 176.300 -0.142 0.000 1.154 1170 R CA 0.031 56.021 56.100 -0.184 0.000 1.179 1170 R CB 0.051 30.197 30.300 -0.257 0.000 1.189 1170 R HN 0.465 nan 8.270 nan 0.000 0.526 1171 E N 1.158 121.288 120.200 -0.117 0.000 2.097 1171 E HA -0.254 4.097 4.350 0.001 0.000 0.196 1171 E C 1.159 177.709 176.600 -0.083 0.000 1.000 1171 E CA 1.345 57.691 56.400 -0.090 0.000 0.804 1171 E CB 0.036 29.692 29.700 -0.073 0.000 0.740 1171 E HN 0.479 nan 8.360 nan 0.000 0.454 1172 E N 0.947 121.102 120.200 -0.075 0.000 2.204 1172 E HA -0.143 4.208 4.350 0.001 0.000 0.194 1172 E C 1.860 178.414 176.600 -0.076 0.000 0.989 1172 E CA 0.636 56.998 56.400 -0.064 0.000 0.824 1172 E CB -0.031 29.641 29.700 -0.047 0.000 0.756 1172 E HN 0.218 nan 8.360 nan 0.000 0.477 1173 K N 0.677 121.024 120.400 -0.088 0.000 2.209 1173 K HA -0.096 4.225 4.320 0.001 0.000 0.204 1173 K C 2.109 178.660 176.600 -0.081 0.000 1.048 1173 K CA 0.651 56.886 56.287 -0.087 0.000 0.940 1173 K CB -0.093 32.344 32.500 -0.105 0.000 0.729 1173 K HN 0.146 nan 8.250 nan 0.000 0.451 1174 L N 0.791 121.954 121.223 -0.101 0.000 2.127 1174 L HA -0.197 4.144 4.340 0.001 0.000 0.211 1174 L C 2.030 178.806 176.870 -0.156 0.000 1.089 1174 L CA 1.082 55.831 54.840 -0.152 0.000 0.757 1174 L CB -0.439 41.511 42.059 -0.181 0.000 0.899 1174 L HN 0.199 nan 8.230 nan 0.000 0.434 1175 L N -0.578 120.571 121.223 -0.123 0.000 2.551 1175 L HA -0.111 4.230 4.340 0.001 0.000 0.228 1175 L C 0.770 177.589 176.870 -0.086 0.000 1.153 1175 L CA 0.417 55.189 54.840 -0.114 0.000 0.851 1175 L CB -0.285 41.718 42.059 -0.092 0.000 0.959 1175 L HN 0.231 nan 8.230 nan 0.000 0.451 1176 D N -0.461 119.896 120.400 -0.072 0.000 2.440 1176 D HA 0.286 4.927 4.640 0.001 0.000 0.216 1176 D C 0.401 176.683 176.300 -0.030 0.000 1.150 1176 D CA 0.188 54.160 54.000 -0.047 0.000 0.832 1176 D CB 0.659 41.433 40.800 -0.043 0.000 0.992 1176 D HN 0.149 nan 8.370 nan 0.000 0.502 1177 I N 1.089 121.632 120.570 -0.045 0.000 2.331 1177 I HA 0.172 4.342 4.170 0.001 0.000 0.292 1177 I C 0.601 176.701 176.117 -0.029 0.000 0.998 1177 I CA -0.208 61.088 61.300 -0.007 0.000 1.267 1177 I CB 1.390 39.383 38.000 -0.011 0.000 1.386 1177 I HN -0.241 nan 8.210 nan 0.000 0.476 1178 E N 3.852 124.056 120.200 0.008 0.000 2.736 1178 E HA 0.083 4.434 4.350 0.001 0.000 0.208 1178 E C -0.092 176.493 176.600 -0.025 0.000 0.996 1178 E CA -0.240 56.148 56.400 -0.020 0.000 1.104 1178 E CB 0.608 30.301 29.700 -0.011 0.000 1.111 1178 E HN 0.696 nan 8.360 nan 0.000 0.455 1179 T N -2.267 112.285 114.554 -0.003 0.000 2.913 1179 T HA 0.204 4.554 4.350 0.001 0.000 0.287 1179 T C -1.967 172.585 174.700 -0.245 0.000 1.008 1179 T CA -1.988 60.077 62.100 -0.058 0.000 1.067 1179 T CB 1.464 70.391 68.868 0.098 0.000 0.996 1179 T HN -0.241 nan 8.240 nan 0.000 0.513 1180 P HA 0.082 nan 4.420 nan 0.000 0.236 1180 P C 0.058 176.960 177.300 -0.663 0.000 1.172 1180 P CA 0.662 63.343 63.100 -0.699 0.000 0.759 1180 P CB -0.235 30.894 31.700 -0.952 0.000 0.843 1181 F N -3.603 116.362 119.950 0.026 0.000 2.706 1181 F HA 0.260 4.787 4.527 0.001 0.000 0.313 1181 F C 1.694 177.599 175.800 0.174 0.000 1.096 1181 F CA -0.402 57.685 58.000 0.145 0.000 1.219 1181 F CB -0.601 38.487 39.000 0.145 0.000 1.051 1181 F HN -0.200 nan 8.300 nan 0.000 0.568 1182 I N 0.705 121.345 120.570 0.117 0.000 2.233 1182 I HA -0.147 4.024 4.170 0.001 0.000 0.243 1182 I C 2.215 178.263 176.117 -0.114 0.000 1.093 1182 I CA 1.327 62.538 61.300 -0.148 0.000 1.380 1182 I CB -0.487 37.366 38.000 -0.245 0.000 1.067 1182 I HN 0.200 nan 8.210 nan 0.000 0.413 1183 L N 1.003 122.183 121.223 -0.072 0.000 1.963 1183 L HA -0.197 4.143 4.340 0.001 0.000 0.220 1183 L C -0.331 176.561 176.870 0.036 0.000 1.076 1183 L CA 2.244 57.057 54.840 -0.044 0.000 0.772 1183 L CB -1.779 40.277 42.059 -0.004 0.000 0.892 1183 L HN 0.153 nan 8.230 nan 0.000 0.435 1184 P HA -0.241 nan 4.420 nan 0.000 0.216 1184 P C 1.171 178.541 177.300 0.118 0.000 1.153 1184 P CA 1.567 64.775 63.100 0.179 0.000 0.858 1184 P CB -0.242 31.643 31.700 0.308 0.000 0.789 1185 Y N 0.736 120.950 120.300 -0.145 0.000 2.053 1185 Y HA -0.247 4.304 4.550 0.001 0.000 0.277 1185 Y C 2.107 177.855 175.900 -0.254 0.000 1.159 1185 Y CA 1.638 59.458 58.100 -0.468 0.000 1.125 1185 Y CB -1.218 36.913 38.460 -0.548 0.000 0.969 1185 Y HN -0.227 nan 8.280 nan 0.000 0.492 1186 L N -0.528 120.505 121.223 -0.317 0.000 2.013 1186 L HA -0.335 4.006 4.340 0.001 0.000 0.212 1186 L C 2.662 179.541 176.870 0.015 0.000 1.073 1186 L CA 2.055 56.671 54.840 -0.373 0.000 0.753 1186 L CB -0.782 40.792 42.059 -0.809 0.000 0.890 1186 L HN 0.385 nan 8.230 nan 0.000 0.432 1187 M N -0.293 119.452 119.600 0.241 0.000 2.115 1187 M HA -0.305 4.176 4.480 0.001 0.000 0.258 1187 M C 2.363 178.706 176.300 0.073 0.000 1.071 1187 M CA 2.218 57.676 55.300 0.263 0.000 1.100 1187 M CB -0.510 32.197 32.600 0.178 0.000 1.292 1187 M HN 0.253 nan 8.290 nan 0.000 0.415 1188 E N 0.313 120.525 120.200 0.018 0.000 2.130 1188 E HA -0.225 4.126 4.350 0.001 0.000 0.196 1188 E C 1.083 177.645 176.600 -0.063 0.000 0.998 1188 E CA 1.196 57.598 56.400 0.004 0.000 0.806 1188 E CB 0.167 29.913 29.700 0.078 0.000 0.738 1188 E HN 0.277 nan 8.360 nan 0.000 0.459 1189 K N -0.044 120.245 120.400 -0.185 0.000 2.417 1189 K HA 0.196 4.517 4.320 0.001 0.000 0.196 1189 K C 1.425 177.966 176.600 -0.097 0.000 1.023 1189 K CA 0.563 56.726 56.287 -0.207 0.000 1.122 1189 K CB 0.370 32.595 32.500 -0.459 0.000 0.850 1189 K HN 0.176 nan 8.250 nan 0.000 0.521 1190 A N 1.925 124.733 122.820 -0.021 0.000 1.863 1190 A HA -0.136 4.184 4.320 0.001 0.000 0.218 1190 A C 1.544 179.161 177.584 0.054 0.000 1.233 1190 A CA 2.049 54.114 52.037 0.046 0.000 0.655 1190 A CB -1.289 17.736 19.000 0.042 0.000 0.839 1190 A HN 0.381 nan 8.150 nan 0.000 0.454 1196 I N -0.067 120.397 120.570 -0.177 0.000 2.657 1196 I HA -0.151 4.020 4.170 0.001 0.000 0.261 1196 I C 2.156 178.186 176.117 -0.146 0.000 1.212 1196 I CA 1.978 63.197 61.300 -0.136 0.000 1.453 1196 I CB -0.531 37.413 38.000 -0.092 0.000 1.092 1196 I HN 0.279 nan 8.210 nan 0.000 0.452 1197 S N 1.942 117.478 115.700 -0.272 0.000 2.440 1197 S HA -0.172 4.298 4.470 0.001 0.000 0.238 1197 S C 1.557 176.188 174.600 0.051 0.000 1.010 1197 S CA 1.435 59.555 58.200 -0.134 0.000 0.972 1197 S CB -0.740 62.327 63.200 -0.222 0.000 0.774 1197 S HN 0.559 nan 8.310 nan 0.000 0.501 1198 N N 2.269 120.942 118.700 -0.044 0.000 2.135 1198 N HA 0.081 4.821 4.740 0.001 0.000 0.186 1198 N C 1.622 177.160 175.510 0.047 0.000 1.027 1198 N CA 1.238 54.286 53.050 -0.003 0.000 0.849 1198 N CB -0.545 37.904 38.487 -0.063 0.000 1.002 1198 N HN 0.343 nan 8.380 nan 0.000 0.425 1199 I N 0.532 121.105 120.570 0.006 0.000 2.423 1199 I HA -0.151 4.020 4.170 0.001 0.000 0.254 1199 I C 1.415 177.578 176.117 0.076 0.000 1.151 1199 I CA 0.951 62.247 61.300 -0.007 0.000 1.421 1199 I CB -0.697 37.277 38.000 -0.043 0.000 1.079 1199 I HN 0.065 nan 8.210 nan 0.000 0.431 1200 L N -1.876 119.441 121.223 0.156 0.000 2.286 1200 L HA 0.028 4.369 4.340 0.001 0.000 0.203 1200 L C 2.029 179.085 176.870 0.310 0.000 1.068 1200 L CA 0.823 55.814 54.840 0.252 0.000 0.811 1200 L CB -1.437 40.747 42.059 0.208 0.000 0.989 1200 L HN 0.170 nan 8.230 nan 0.000 0.467 1201 W N -0.465 120.904 121.300 0.114 0.000 2.538 1201 W HA -0.079 4.582 4.660 0.001 0.000 0.254 1201 W C 2.320 178.651 176.519 -0.312 0.000 1.249 1201 W CA 0.756 58.113 57.345 0.020 0.000 1.253 1201 W CB -0.273 29.277 29.460 0.150 0.000 1.130 1201 W HN -0.134 nan 8.180 nan 0.000 0.618 1202 V N -1.774 118.146 119.914 0.009 0.000 2.992 1202 V HA -0.172 3.948 4.120 0.001 0.000 0.250 1202 V C 1.518 177.516 176.094 -0.159 0.000 1.090 1202 V CA 1.176 63.413 62.300 -0.105 0.000 1.101 1202 V CB -0.515 31.253 31.823 -0.093 0.000 0.743 1202 V HN 0.160 nan 8.190 nan 0.000 0.468 1203 Y N 0.052 120.259 120.300 -0.156 0.000 2.177 1203 Y HA -0.226 4.325 4.550 0.001 0.000 0.291 1203 Y C 2.602 178.422 175.900 -0.134 0.000 1.117 1203 Y CA 1.981 60.012 58.100 -0.115 0.000 1.114 1203 Y CB -0.196 38.237 38.460 -0.045 0.000 1.017 1203 Y HN 0.456 nan 8.280 nan 0.000 0.505 1204 Y N -0.866 119.513 120.300 0.133 0.000 2.256 1204 Y HA -0.164 4.386 4.550 0.001 0.000 0.288 1204 Y C 2.068 177.948 175.900 -0.033 0.000 1.155 1204 Y CA 0.942 59.017 58.100 -0.041 0.000 1.203 1204 Y CB -1.323 37.064 38.460 -0.121 0.000 0.980 1204 Y HN -0.067 nan 8.280 nan 0.000 0.530 1205 S N 1.176 116.487 115.700 -0.648 0.000 2.349 1205 S HA -0.239 4.232 4.470 0.001 0.000 0.216 1205 S C 1.937 176.460 174.600 -0.128 0.000 1.033 1205 S CA 1.482 59.467 58.200 -0.358 0.000 1.021 1205 S CB -0.565 62.389 63.200 -0.410 0.000 0.968 1205 S HN 0.553 nan 8.310 nan 0.000 0.426 1206 R N 2.497 122.917 120.500 -0.135 0.000 2.224 1206 R HA -0.201 4.140 4.340 0.001 0.000 0.251 1206 R C 0.251 176.527 176.300 -0.041 0.000 1.123 1206 R CA 1.602 57.646 56.100 -0.094 0.000 0.944 1206 R CB -0.818 29.393 30.300 -0.149 0.000 0.910 1206 R HN 0.206 nan 8.270 nan 0.000 0.440 1207 R N 1.673 122.180 120.500 0.011 0.000 2.457 1207 R HA 0.001 4.342 4.340 0.001 0.000 0.335 1207 R C 0.519 176.780 176.300 -0.066 0.000 1.003 1207 R CA 0.812 56.899 56.100 -0.021 0.000 1.003 1207 R CB 0.168 30.458 30.300 -0.016 0.000 0.950 1207 R HN 0.595 nan 8.270 nan 0.000 0.428 1208 S N 1.616 117.257 115.700 -0.099 0.000 2.605 1208 S HA 0.062 4.533 4.470 0.001 0.000 0.217 1208 S C 0.285 174.654 174.600 -0.385 0.000 0.958 1208 S CA -0.160 57.959 58.200 -0.135 0.000 0.919 1208 S CB 0.213 63.360 63.200 -0.088 0.000 0.780 1208 S HN 0.396 nan 8.310 nan 0.000 0.507 1209 K N 0.951 121.136 120.400 -0.358 0.000 2.265 1209 K HA 0.414 4.735 4.320 0.001 0.000 0.267 1209 K C -0.507 175.891 176.600 -0.337 0.000 0.994 1209 K CA -0.633 55.357 56.287 -0.495 0.000 0.860 1209 K CB 0.921 33.267 32.500 -0.257 0.000 1.099 1209 K HN 0.049 nan 8.250 nan 0.000 0.448 1210 F N 1.281 121.272 119.950 0.069 0.000 2.146 1210 F HA -0.142 4.385 4.527 0.001 0.000 0.298 1210 F C 2.016 177.838 175.800 0.036 0.000 1.096 1210 F CA 0.450 58.482 58.000 0.053 0.000 1.275 1210 F CB -0.639 38.490 39.000 0.215 0.000 1.008 1210 F HN 0.574 nan 8.300 nan 0.000 0.480 1211 F N 2.043 122.054 119.950 0.102 0.000 2.027 1211 F HA -0.293 4.235 4.527 0.001 0.000 0.297 1211 F C 2.227 177.989 175.800 -0.063 0.000 1.129 1211 F CA 2.131 60.145 58.000 0.024 0.000 1.195 1211 F CB -1.030 37.974 39.000 0.007 0.000 0.960 1211 F HN 0.081 nan 8.300 nan 0.000 0.485 1212 E N -0.131 120.301 120.200 0.387 0.000 2.085 1212 E HA -0.181 4.170 4.350 0.001 0.000 0.194 1212 E C 2.305 178.902 176.600 -0.005 0.000 0.994 1212 E CA 1.688 58.173 56.400 0.142 0.000 0.801 1212 E CB -0.457 29.207 29.700 -0.061 0.000 0.743 1212 E HN 0.352 nan 8.360 nan 0.000 0.453 1213 S N 0.947 116.576 115.700 -0.118 0.000 2.353 1213 S HA -0.236 4.234 4.470 0.001 0.000 0.222 1213 S C 2.201 176.613 174.600 -0.314 0.000 1.035 1213 S CA 1.143 59.172 58.200 -0.284 0.000 1.025 1213 S CB -0.463 62.348 63.200 -0.648 0.000 0.902 1213 S HN 0.441 nan 8.310 nan 0.000 0.440 1214 A N 2.280 124.902 122.820 -0.330 0.000 1.883 1214 A HA -0.223 4.097 4.320 0.001 0.000 0.217 1214 A C 2.067 179.632 177.584 -0.031 0.000 1.186 1214 A CA 1.885 53.850 52.037 -0.120 0.000 0.624 1214 A CB -0.923 18.080 19.000 0.004 0.000 0.822 1214 A HN 0.765 nan 8.150 nan 0.000 0.444 1215 E N -0.102 120.094 120.200 -0.008 0.000 2.273 1215 E HA -0.198 4.153 4.350 0.001 0.000 0.198 1215 E C 1.712 178.342 176.600 0.050 0.000 1.002 1215 E CA 1.541 57.972 56.400 0.051 0.000 0.828 1215 E CB -0.507 29.290 29.700 0.161 0.000 0.747 1215 E HN 0.689 nan 8.360 nan 0.000 0.491 1216 I N 0.472 121.025 120.570 -0.029 0.000 2.296 1216 I HA -0.178 3.992 4.170 0.001 0.000 0.242 1216 I C 2.172 178.228 176.117 -0.101 0.000 1.087 1216 I CA 0.605 61.860 61.300 -0.075 0.000 1.393 1216 I CB -0.120 37.822 38.000 -0.098 0.000 1.093 1216 I HN 0.057 nan 8.210 nan 0.000 0.421 1217 L N -0.250 120.888 121.223 -0.142 0.000 2.265 1217 L HA -0.224 4.117 4.340 0.001 0.000 0.215 1217 L C 2.476 179.272 176.870 -0.123 0.000 1.117 1217 L CA 1.366 56.045 54.840 -0.270 0.000 0.782 1217 L CB -0.976 40.931 42.059 -0.253 0.000 0.914 1217 L HN 0.236 nan 8.230 nan 0.000 0.441 1218 Y N 1.339 121.568 120.300 -0.118 0.000 2.070 1218 Y HA -0.261 4.289 4.550 0.001 0.000 0.279 1218 Y C 2.699 178.544 175.900 -0.092 0.000 1.134 1218 Y CA 1.554 59.607 58.100 -0.079 0.000 1.113 1218 Y CB -0.315 38.104 38.460 -0.069 0.000 0.981 1218 Y HN -0.010 nan 8.280 nan 0.000 0.487 1219 R N 0.136 120.464 120.500 -0.286 0.000 2.127 1219 R HA -0.164 4.177 4.340 0.001 0.000 0.238 1219 R C 2.386 178.511 176.300 -0.291 0.000 1.134 1219 R CA 1.649 57.538 56.100 -0.351 0.000 0.975 1219 R CB -0.722 29.489 30.300 -0.150 0.000 0.865 1219 R HN 0.395 nan 8.270 nan 0.000 0.447 1220 L N 0.265 121.340 121.223 -0.247 0.000 2.079 1220 L HA -0.208 4.133 4.340 0.001 0.000 0.210 1220 L C 2.475 179.209 176.870 -0.227 0.000 1.081 1220 L CA 1.403 56.078 54.840 -0.275 0.000 0.752 1220 L CB -0.311 41.345 42.059 -0.671 0.000 0.896 1220 L HN 0.305 nan 8.230 nan 0.000 0.433 1221 A N -1.296 121.400 122.820 -0.207 0.000 2.030 1221 A HA -0.069 4.252 4.320 0.001 0.000 0.215 1221 A C 2.019 179.511 177.584 -0.154 0.000 1.164 1221 A CA 1.208 53.226 52.037 -0.033 0.000 0.697 1221 A CB -0.408 18.625 19.000 0.054 0.000 0.827 1221 A HN 0.441 nan 8.150 nan 0.000 0.457 1222 T N -1.084 113.267 114.554 -0.340 0.000 3.206 1222 T HA 0.263 4.613 4.350 0.001 0.000 0.253 1222 T C 0.854 175.355 174.700 -0.331 0.000 1.042 1222 T CA 0.422 62.306 62.100 -0.360 0.000 0.931 1222 T CB -0.643 67.878 68.868 -0.578 0.000 1.029 1222 T HN 0.407 nan 8.240 nan 0.000 0.564 1223 S N 1.656 117.131 115.700 -0.376 0.000 2.598 1223 S HA 0.371 4.842 4.470 0.001 0.000 0.267 1223 S C 0.894 175.167 174.600 -0.545 0.000 1.189 1223 S CA -0.747 57.113 58.200 -0.566 0.000 1.010 1223 S CB 0.364 62.950 63.200 -1.023 0.000 1.084 1223 S HN 0.231 nan 8.310 nan 0.000 0.541 1224 N N -0.275 117.989 118.700 -0.727 0.000 2.397 1224 N HA 0.246 4.986 4.740 0.001 0.000 0.190 1224 N C -0.178 175.161 175.510 -0.284 0.000 1.099 1224 N CA 0.056 52.868 53.050 -0.397 0.000 0.876 1224 N CB -0.283 38.058 38.487 -0.244 0.000 1.143 1224 N HN 0.644 nan 8.380 nan 0.000 0.468 1225 F N 2.423 122.372 119.950 -0.002 0.000 2.459 1225 F HA 0.246 4.773 4.527 0.001 0.000 0.346 1225 F C 0.531 176.347 175.800 0.026 0.000 1.128 1225 F CA -2.259 55.748 58.000 0.012 0.000 1.268 1225 F CB -0.296 38.714 39.000 0.017 0.000 1.161 1225 F HN -0.119 nan 8.300 nan 0.000 0.583 1226 D N 2.230 122.795 120.400 0.275 0.000 2.389 1226 D HA 0.264 4.905 4.640 0.001 0.000 0.263 1226 D C -0.638 175.802 176.300 0.235 0.000 1.255 1226 D CA 0.146 54.258 54.000 0.186 0.000 0.914 1226 D CB 0.850 41.721 40.800 0.118 0.000 1.116 1226 D HN 0.684 nan 8.370 nan 0.000 0.502 1227 I N 1.745 122.453 120.570 0.230 0.000 2.563 1227 I HA 0.209 4.379 4.170 0.001 0.000 0.285 1227 I C -0.107 176.112 176.117 0.169 0.000 1.123 1227 I CA -0.319 61.131 61.300 0.251 0.000 1.059 1227 I CB 1.394 39.654 38.000 0.432 0.000 1.229 1227 I HN 0.507 nan 8.210 nan 0.000 0.442 1228 T N 4.517 119.153 114.554 0.138 0.000 2.898 1228 T HA 0.019 4.369 4.350 0.001 0.000 0.331 1228 T C 1.508 176.196 174.700 -0.019 0.000 1.085 1228 T CA 0.121 62.273 62.100 0.087 0.000 1.129 1228 T CB 0.432 69.449 68.868 0.249 0.000 1.054 1228 T HN 0.642 nan 8.240 nan 0.000 0.540 1229 L N 1.333 122.403 121.223 -0.255 0.000 2.042 1229 L HA -0.067 4.274 4.340 0.001 0.000 0.210 1229 L C 2.607 179.302 176.870 -0.291 0.000 1.076 1229 L CA 1.636 56.275 54.840 -0.334 0.000 0.749 1229 L CB -0.698 41.049 42.059 -0.520 0.000 0.893 1229 L HN 0.706 nan 8.230 nan 0.000 0.432 1230 F N 0.264 120.210 119.950 -0.007 0.000 2.147 1230 F HA -0.261 4.266 4.527 0.001 0.000 0.301 1230 F C 2.451 178.204 175.800 -0.078 0.000 1.084 1230 F CA 1.359 59.341 58.000 -0.030 0.000 1.268 1230 F CB -0.642 38.346 39.000 -0.020 0.000 1.009 1230 F HN 0.069 nan 8.300 nan 0.000 0.486 1231 E N -0.250 119.978 120.200 0.048 0.000 2.122 1231 E HA 0.001 4.351 4.350 0.001 0.000 0.190 1231 E C 2.204 178.605 176.600 -0.332 0.000 0.977 1231 E CA 0.378 56.642 56.400 -0.227 0.000 0.820 1231 E CB -0.152 29.431 29.700 -0.194 0.000 0.770 1231 E HN 0.175 nan 8.360 nan 0.000 0.462 1232 R N 0.112 120.620 120.500 0.015 0.000 2.117 1232 R HA -0.130 4.211 4.340 0.001 0.000 0.243 1232 R C 2.031 178.407 176.300 0.126 0.000 1.143 1232 R CA 1.327 57.554 56.100 0.213 0.000 0.968 1232 R CB -0.297 30.066 30.300 0.104 0.000 0.863 1232 R HN 0.254 nan 8.270 nan 0.000 0.444 1233 I N 0.243 120.818 120.570 0.008 0.000 2.400 1233 I HA -0.185 3.985 4.170 0.001 0.000 0.248 1233 I C 2.429 178.544 176.117 -0.003 0.000 1.109 1233 I CA 0.935 62.239 61.300 0.008 0.000 1.425 1233 I CB -0.321 37.670 38.000 -0.016 0.000 1.094 1233 I HN 0.232 nan 8.210 nan 0.000 0.425 1234 E N 1.295 121.452 120.200 -0.071 0.000 2.268 1234 E HA -0.212 4.139 4.350 0.001 0.000 0.195 1234 E C 1.917 178.448 176.600 -0.115 0.000 0.995 1234 E CA 1.200 57.534 56.400 -0.110 0.000 0.836 1234 E CB -0.297 29.315 29.700 -0.147 0.000 0.763 1234 E HN 0.306 nan 8.360 nan 0.000 0.491 1235 F N 1.352 121.282 119.950 -0.033 0.000 2.146 1235 F HA 0.004 4.532 4.527 0.001 0.000 0.298 1235 F C 2.125 177.888 175.800 -0.061 0.000 1.096 1235 F CA 0.816 58.754 58.000 -0.104 0.000 1.275 1235 F CB -0.391 38.575 39.000 -0.057 0.000 1.008 1235 F HN 0.021 nan 8.300 nan 0.000 0.480 1236 L N -1.379 119.944 121.223 0.167 0.000 2.095 1236 L HA -0.142 4.199 4.340 0.001 0.000 0.204 1236 L C 2.415 179.309 176.870 0.040 0.000 1.080 1236 L CA 1.030 55.934 54.840 0.106 0.000 0.759 1236 L CB -0.988 41.124 42.059 0.090 0.000 0.914 1236 L HN -0.021 nan 8.230 nan 0.000 0.439 1237 S N -0.069 115.634 115.700 0.005 0.000 2.387 1237 S HA -0.202 4.269 4.470 0.001 0.000 0.230 1237 S C 2.059 176.604 174.600 -0.091 0.000 1.035 1237 S CA 1.397 59.572 58.200 -0.042 0.000 1.014 1237 S CB -0.225 62.946 63.200 -0.047 0.000 0.836 1237 S HN 0.370 nan 8.310 nan 0.000 0.466 1238 R N 1.092 121.546 120.500 -0.076 0.000 2.056 1238 R HA 0.108 4.449 4.340 0.001 0.000 0.227 1238 R C 2.783 179.024 176.300 -0.099 0.000 1.149 1238 R CA 1.091 57.096 56.100 -0.159 0.000 0.937 1238 R CB -0.746 29.533 30.300 -0.036 0.000 0.835 1238 R HN 0.373 nan 8.270 nan 0.000 0.430 1239 A N 1.941 124.894 122.820 0.222 0.000 1.915 1239 A HA -0.338 3.983 4.320 0.001 0.000 0.220 1239 A C 1.932 179.655 177.584 0.231 0.000 1.198 1239 A CA 2.300 54.569 52.037 0.387 0.000 0.647 1239 A CB -1.022 18.097 19.000 0.198 0.000 0.825 1239 A HN 0.444 nan 8.150 nan 0.000 0.456 1240 N N 0.057 118.790 118.700 0.056 0.000 2.104 1240 N HA -0.081 4.660 4.740 0.001 0.000 0.190 1240 N C 1.740 177.205 175.510 -0.076 0.000 1.024 1240 N CA 2.371 55.413 53.050 -0.013 0.000 0.853 1240 N CB -0.925 37.542 38.487 -0.033 0.000 1.008 1240 N HN 0.313 nan 8.380 nan 0.000 0.424 1241 G N -1.300 107.379 108.800 -0.202 0.000 2.450 1241 G HA2 -0.193 3.768 3.960 0.001 0.000 0.220 1241 G HA3 -0.193 3.768 3.960 0.001 0.000 0.220 1241 G C 1.141 175.829 174.900 -0.354 0.000 1.130 1241 G CA 0.724 45.627 45.100 -0.329 0.000 0.760 1241 G HN 0.347 nan 8.290 nan 0.000 0.557 1242 F N 1.084 120.988 119.950 -0.077 0.000 2.146 1242 F HA 0.079 4.607 4.527 0.001 0.000 0.298 1242 F C 2.330 178.061 175.800 -0.115 0.000 1.096 1242 F CA -0.555 57.394 58.000 -0.085 0.000 1.275 1242 F CB -1.039 38.009 39.000 0.080 0.000 1.008 1242 F HN 0.034 nan 8.300 nan 0.000 0.480 1258 L N 1.611 122.703 121.223 -0.219 0.000 2.007 1258 L HA 0.419 4.759 4.340 0.001 0.000 0.205 1258 L C 2.806 179.510 176.870 -0.276 0.000 1.073 1258 L CA 3.014 57.666 54.840 -0.313 0.000 0.744 1258 L CB -0.747 41.075 42.059 -0.395 0.000 0.898 1258 L HN 0.663 nan 8.230 nan 0.000 0.435 1259 A N -0.981 121.718 122.820 -0.203 0.000 1.896 1259 A HA -0.377 3.944 4.320 0.001 0.000 0.220 1259 A C 2.536 180.039 177.584 -0.134 0.000 1.206 1259 A CA 2.755 54.705 52.037 -0.144 0.000 0.647 1259 A CB -1.584 17.354 19.000 -0.104 0.000 0.828 1259 A HN 0.633 nan 8.150 nan 0.000 0.455 1260 S N 0.389 116.013 115.700 -0.127 0.000 2.369 1260 S HA -0.316 4.154 4.470 0.001 0.000 0.225 1260 S C 2.214 176.742 174.600 -0.120 0.000 1.043 1260 S CA 2.184 60.323 58.200 -0.103 0.000 1.074 1260 S CB -0.507 62.639 63.200 -0.090 0.000 0.962 1260 S HN 0.781 nan 8.310 nan 0.000 0.433 1261 R N 0.287 120.672 120.500 -0.193 0.000 2.148 1261 R HA 0.132 4.473 4.340 0.001 0.000 0.223 1261 R C 2.359 178.534 176.300 -0.208 0.000 1.088 1261 R CA 1.421 57.388 56.100 -0.221 0.000 0.985 1261 R CB -0.647 29.417 30.300 -0.394 0.000 0.880 1261 R HN 0.451 nan 8.270 nan 0.000 0.451 1262 I N 1.234 121.651 120.570 -0.255 0.000 2.163 1262 I HA -0.226 3.945 4.170 0.001 0.000 0.240 1262 I C 2.317 178.419 176.117 -0.024 0.000 1.081 1262 I CA 1.305 62.538 61.300 -0.112 0.000 1.353 1262 I CB -0.235 37.697 38.000 -0.113 0.000 1.054 1262 I HN 0.161 nan 8.210 nan 0.000 0.407 1263 Q N 0.874 120.645 119.800 -0.048 0.000 2.030 1263 Q HA -0.233 4.108 4.340 0.001 0.000 0.204 1263 Q C 1.826 177.816 176.000 -0.017 0.000 0.986 1263 Q CA 1.806 57.592 55.803 -0.027 0.000 0.843 1263 Q CB -0.511 28.206 28.738 -0.035 0.000 0.904 1263 Q HN 0.376 nan 8.270 nan 0.000 0.420 1264 D N -0.220 120.165 120.400 -0.025 0.000 2.154 1264 D HA -0.247 4.394 4.640 0.001 0.000 0.190 1264 D C 1.658 177.956 176.300 -0.004 0.000 1.003 1264 D CA 1.805 55.793 54.000 -0.021 0.000 0.849 1264 D CB -0.466 40.323 40.800 -0.019 0.000 0.942 1264 D HN 0.325 nan 8.370 nan 0.000 0.446 1265 A N 0.521 123.362 122.820 0.035 0.000 1.873 1265 A HA -0.251 4.069 4.320 0.001 0.000 0.218 1265 A C 2.673 180.271 177.584 0.024 0.000 1.193 1265 A CA 1.920 53.991 52.037 0.058 0.000 0.629 1265 A CB -1.163 17.932 19.000 0.158 0.000 0.826 1265 A HN 0.415 nan 8.150 nan 0.000 0.447 1266 C N -0.671 118.644 119.300 0.026 0.000 2.401 1266 C HA -0.156 4.304 4.460 0.001 0.000 0.276 1266 C C 2.682 177.674 174.990 0.004 0.000 1.233 1266 C CA 1.358 60.385 59.018 0.015 0.000 1.753 1266 C CB -1.502 26.246 27.740 0.013 0.000 2.029 1266 C HN 0.710 nan 8.230 nan 0.000 0.478 1267 E N 0.295 120.491 120.200 -0.007 0.000 2.017 1267 E HA -0.181 4.169 4.350 0.001 0.000 0.193 1267 E C 2.121 178.690 176.600 -0.052 0.000 0.997 1267 E CA 1.567 57.952 56.400 -0.024 0.000 0.804 1267 E CB -0.269 29.389 29.700 -0.070 0.000 0.757 1267 E HN 0.487 nan 8.360 nan 0.000 0.448 1268 V N 1.529 121.402 119.914 -0.067 0.000 2.407 1268 V HA -0.270 3.851 4.120 0.001 0.000 0.248 1268 V C 2.293 178.342 176.094 -0.075 0.000 1.055 1268 V CA 1.712 63.963 62.300 -0.081 0.000 1.049 1268 V CB -0.871 30.912 31.823 -0.067 0.000 0.662 1268 V HN 0.319 nan 8.190 nan 0.000 0.455 1269 A N 0.968 123.754 122.820 -0.056 0.000 1.845 1269 A HA -0.096 4.225 4.320 0.001 0.000 0.215 1269 A C 2.502 180.041 177.584 -0.075 0.000 1.195 1269 A CA 2.027 54.021 52.037 -0.071 0.000 0.616 1269 A CB -1.473 17.498 19.000 -0.048 0.000 0.832 1269 A HN 0.506 nan 8.150 nan 0.000 0.443 1270 G N 0.237 109.017 108.800 -0.033 0.000 2.513 1270 G HA2 -0.297 3.663 3.960 0.001 0.000 0.219 1270 G HA3 -0.297 3.663 3.960 0.001 0.000 0.219 1270 G C 1.516 176.409 174.900 -0.012 0.000 1.160 1270 G CA 1.345 46.441 45.100 -0.007 0.000 0.767 1270 G HN 0.518 nan 8.290 nan 0.000 0.571 1271 I N 0.150 120.721 120.570 0.002 0.000 2.163 1271 I HA -0.270 3.901 4.170 0.001 0.000 0.243 1271 I C 3.017 179.066 176.117 -0.113 0.000 1.085 1271 I CA 1.462 62.756 61.300 -0.010 0.000 1.347 1271 I CB -0.420 37.554 38.000 -0.042 0.000 1.044 1271 I HN 0.255 nan 8.210 nan 0.000 0.408 1272 Q N 0.571 120.277 119.800 -0.157 0.000 2.135 1272 Q HA -0.170 4.170 4.340 0.001 0.000 0.204 1272 Q C 2.391 178.258 176.000 -0.222 0.000 0.981 1272 Q CA 1.617 57.282 55.803 -0.230 0.000 0.856 1272 Q CB -0.412 28.187 28.738 -0.230 0.000 0.902 1272 Q HN 0.688 nan 8.270 nan 0.000 0.425 1273 G N 1.051 109.745 108.800 -0.176 0.000 2.422 1273 G HA2 -0.256 3.705 3.960 0.001 0.000 0.218 1273 G HA3 -0.256 3.705 3.960 0.001 0.000 0.218 1273 G C 0.974 175.774 174.900 -0.167 0.000 1.146 1273 G CA 0.992 45.997 45.100 -0.159 0.000 0.769 1273 G HN 0.267 nan 8.290 nan 0.000 0.547 1274 D N 0.864 121.167 120.400 -0.161 0.000 2.077 1274 D HA -0.074 4.566 4.640 0.001 0.000 0.196 1274 D C 2.671 178.791 176.300 -0.300 0.000 0.986 1274 D CA 0.646 54.529 54.000 -0.196 0.000 0.829 1274 D CB -0.260 40.452 40.800 -0.148 0.000 0.983 1274 D HN 0.336 nan 8.370 nan 0.000 0.453 1275 I N 1.232 121.628 120.570 -0.291 0.000 2.185 1275 I HA -0.269 3.901 4.170 0.001 0.000 0.246 1275 I C 2.671 178.565 176.117 -0.370 0.000 1.088 1275 I CA 0.775 61.872 61.300 -0.338 0.000 1.347 1275 I CB -0.271 37.562 38.000 -0.277 0.000 1.041 1275 I HN 0.036 nan 8.210 nan 0.000 0.415 1276 L N 0.021 121.027 121.223 -0.363 0.000 1.994 1276 L HA -0.241 4.100 4.340 0.001 0.000 0.208 1276 L C 2.800 179.145 176.870 -0.875 0.000 1.071 1276 L CA 1.798 56.366 54.840 -0.452 0.000 0.745 1276 L CB -0.285 41.590 42.059 -0.308 0.000 0.892 1276 L HN 0.250 nan 8.230 nan 0.000 0.431 1277 S N -0.338 114.956 115.700 -0.677 0.000 2.400 1277 S HA -0.179 4.292 4.470 0.001 0.000 0.232 1277 S C 1.923 176.201 174.600 -0.536 0.000 1.025 1277 S CA 1.162 58.974 58.200 -0.648 0.000 0.993 1277 S CB -0.200 62.865 63.200 -0.225 0.000 0.808 1277 S HN 0.371 nan 8.310 nan 0.000 0.478 1278 L N 0.627 121.546 121.223 -0.507 0.000 2.072 1278 L HA -0.013 4.328 4.340 0.001 0.000 0.205 1278 L C 2.408 179.116 176.870 -0.270 0.000 1.079 1278 L CA 0.834 55.391 54.840 -0.472 0.000 0.752 1278 L CB -0.641 40.836 42.059 -0.971 0.000 0.906 1278 L HN 0.193 nan 8.230 nan 0.000 0.436 1279 V N -0.540 119.219 119.914 -0.259 0.000 2.546 1279 V HA -0.315 3.806 4.120 0.001 0.000 0.254 1279 V C 2.329 178.472 176.094 0.082 0.000 1.076 1279 V CA 1.633 63.922 62.300 -0.019 0.000 1.087 1279 V CB -0.793 31.020 31.823 -0.017 0.000 0.674 1279 V HN 0.303 nan 8.190 nan 0.000 0.470 1280 Y N 0.818 121.122 120.300 0.007 0.000 2.092 1280 Y HA -0.166 4.385 4.550 0.001 0.000 0.282 1280 Y C 2.861 178.767 175.900 0.010 0.000 1.126 1280 Y CA 1.423 59.528 58.100 0.008 0.000 1.111 1280 Y CB -1.794 36.664 38.460 -0.004 0.000 0.987 1280 Y HN 0.184 nan 8.280 nan 0.000 0.489 1281 T N -0.226 114.426 114.554 0.164 0.000 2.720 1281 T HA -0.163 4.188 4.350 0.001 0.000 0.268 1281 T C 0.517 175.267 174.700 0.083 0.000 1.037 1281 T CA 1.200 63.355 62.100 0.091 0.000 1.144 1281 T CB -0.675 68.218 68.868 0.041 0.000 0.864 1281 T HN 0.148 nan 8.240 nan 0.000 0.444 1282 D N 1.170 121.628 120.400 0.097 0.000 2.520 1282 D HA 0.156 4.796 4.640 0.001 0.000 0.243 1282 D C 0.581 176.934 176.300 0.088 0.000 1.160 1282 D CA 0.010 54.083 54.000 0.120 0.000 0.877 1282 D CB 0.622 41.550 40.800 0.213 0.000 1.150 1282 D HN 0.243 nan 8.370 nan 0.000 0.494 1283 A N 4.721 127.578 122.820 0.063 0.000 2.337 1283 A HA 0.070 4.391 4.320 0.001 0.000 0.227 1283 A C 1.486 179.087 177.584 0.030 0.000 1.259 1283 A CA -0.080 51.983 52.037 0.044 0.000 0.870 1283 A CB 0.063 19.083 19.000 0.034 0.000 0.927 1283 A HN 0.580 nan 8.150 nan 0.000 0.497 1284 R N -0.037 120.478 120.500 0.026 0.000 2.426 1284 R HA 0.374 4.715 4.340 0.001 0.000 0.263 1284 R C -0.752 175.550 176.300 0.004 0.000 0.961 1284 R CA 0.278 56.379 56.100 0.001 0.000 1.086 1284 R CB -0.070 30.213 30.300 -0.028 0.000 1.186 1284 R HN 0.485 nan 8.270 nan 0.000 0.537 1285 I N -0.769 119.816 120.570 0.025 0.000 2.686 1285 I HA 0.212 4.383 4.170 0.001 0.000 0.295 1285 I C -0.724 175.412 176.117 0.032 0.000 1.114 1285 I CA -1.479 59.838 61.300 0.029 0.000 1.038 1285 I CB 2.168 40.199 38.000 0.052 0.000 1.238 1285 I HN -0.127 nan 8.210 nan 0.000 0.420 1286 D N 2.755 123.169 120.400 0.024 0.000 2.341 1286 D HA 0.092 4.733 4.640 0.001 0.000 0.245 1286 D C 1.111 177.433 176.300 0.036 0.000 1.106 1286 D CA 0.043 54.057 54.000 0.024 0.000 0.905 1286 D CB 1.772 42.581 40.800 0.015 0.000 1.202 1286 D HN 0.514 nan 8.370 nan 0.000 0.426 1287 S N 2.450 118.170 115.700 0.034 0.000 2.383 1287 S HA -0.199 4.272 4.470 0.001 0.000 0.229 1287 S C 1.918 176.543 174.600 0.041 0.000 1.030 1287 S CA 1.472 59.697 58.200 0.041 0.000 1.002 1287 S CB -0.557 62.660 63.200 0.027 0.000 0.829 1287 S HN 0.602 nan 8.310 nan 0.000 0.467 1288 A N 2.068 124.906 122.820 0.030 0.000 1.873 1288 A HA 0.044 4.364 4.320 0.001 0.000 0.215 1288 A C 2.056 179.661 177.584 0.034 0.000 1.186 1288 A CA 1.403 53.457 52.037 0.029 0.000 0.616 1288 A CB -0.666 18.345 19.000 0.019 0.000 0.823 1288 A HN 0.554 nan 8.150 nan 0.000 0.442 1289 I N 0.291 120.878 120.570 0.029 0.000 2.069 1289 I HA -0.297 3.873 4.170 0.001 0.000 0.237 1289 I C 2.239 178.387 176.117 0.052 0.000 1.053 1289 I CA 1.895 63.213 61.300 0.030 0.000 1.311 1289 I CB -1.654 36.357 38.000 0.018 0.000 1.030 1289 I HN 0.358 nan 8.210 nan 0.000 0.398 1290 K N 0.403 120.843 120.400 0.067 0.000 2.044 1290 K HA -0.316 4.005 4.320 0.001 0.000 0.224 1290 K C 1.970 178.631 176.600 0.102 0.000 1.056 1290 K CA 2.394 58.740 56.287 0.099 0.000 0.962 1290 K CB -0.541 32.028 32.500 0.116 0.000 0.730 1290 K HN 0.434 nan 8.250 nan 0.000 0.453 1291 D N 0.608 121.058 120.400 0.084 0.000 2.108 1291 D HA -0.205 4.435 4.640 0.001 0.000 0.190 1291 D C 1.819 178.163 176.300 0.073 0.000 0.995 1291 D CA 1.416 55.462 54.000 0.078 0.000 0.834 1291 D CB 0.035 40.869 40.800 0.056 0.000 0.967 1291 D HN 0.150 nan 8.370 nan 0.000 0.446 1292 E N 0.023 120.258 120.200 0.058 0.000 2.113 1292 E HA -0.223 4.127 4.350 0.001 0.000 0.210 1292 E C 2.314 178.960 176.600 0.075 0.000 1.040 1292 E CA 0.858 57.290 56.400 0.054 0.000 0.847 1292 E CB -0.456 29.267 29.700 0.038 0.000 0.755 1292 E HN 0.318 nan 8.360 nan 0.000 0.459 1293 L N 0.641 121.921 121.223 0.095 0.000 1.976 1293 L HA -0.159 4.182 4.340 0.001 0.000 0.209 1293 L C 2.595 179.540 176.870 0.125 0.000 1.071 1293 L CA 1.344 56.276 54.840 0.152 0.000 0.746 1293 L CB -1.233 40.934 42.059 0.179 0.000 0.890 1293 L HN 0.149 nan 8.230 nan 0.000 0.432 1294 I N -0.484 120.149 120.570 0.106 0.000 2.145 1294 I HA -0.376 3.794 4.170 0.001 0.000 0.244 1294 I C 2.528 178.685 176.117 0.067 0.000 1.075 1294 I CA 1.254 62.609 61.300 0.092 0.000 1.332 1294 I CB -0.484 37.602 38.000 0.143 0.000 1.033 1294 I HN 0.301 nan 8.210 nan 0.000 0.410 1295 K N 0.630 121.072 120.400 0.070 0.000 2.059 1295 K HA -0.216 4.105 4.320 0.001 0.000 0.212 1295 K C 2.094 178.720 176.600 0.042 0.000 1.050 1295 K CA 2.391 58.711 56.287 0.055 0.000 0.927 1295 K CB -1.269 31.263 32.500 0.053 0.000 0.714 1295 K HN 0.521 nan 8.250 nan 0.000 0.447 1296 T N 0.834 115.423 114.554 0.059 0.000 2.867 1296 T HA -0.020 4.331 4.350 0.001 0.000 0.268 1296 T C 2.223 176.925 174.700 0.002 0.000 1.057 1296 T CA 0.811 62.947 62.100 0.059 0.000 1.136 1296 T CB -0.305 68.647 68.868 0.140 0.000 0.874 1296 T HN 0.068 nan 8.240 nan 0.000 0.466 1297 L N 1.752 122.956 121.223 -0.032 0.000 2.068 1297 L HA 0.034 4.375 4.340 0.001 0.000 0.204 1297 L C 2.702 179.492 176.870 -0.133 0.000 1.076 1297 L CA 1.820 56.580 54.840 -0.133 0.000 0.753 1297 L CB -0.849 41.107 42.059 -0.171 0.000 0.910 1297 L HN 0.367 nan 8.230 nan 0.000 0.439 1298 D N 0.008 120.349 120.400 -0.098 0.000 2.219 1298 D HA -0.131 4.510 4.640 0.001 0.000 0.205 1298 D C 2.043 178.296 176.300 -0.079 0.000 0.970 1298 D CA 1.083 55.005 54.000 -0.130 0.000 0.851 1298 D CB -0.411 40.348 40.800 -0.068 0.000 0.943 1298 D HN 0.192 nan 8.370 nan 0.000 0.488 1299 G N -0.170 108.607 108.800 -0.039 0.000 2.484 1299 G HA2 0.012 3.972 3.960 0.001 0.000 0.218 1299 G HA3 0.012 3.972 3.960 0.001 0.000 0.218 1299 G C 0.473 175.355 174.900 -0.029 0.000 1.130 1299 G CA 0.788 45.881 45.100 -0.012 0.000 0.784 1299 G HN 0.623 nan 8.290 nan 0.000 0.543 1300 K N -1.772 118.596 120.400 -0.054 0.000 2.842 1300 K HA 0.392 4.713 4.320 0.001 0.000 0.293 1300 K C -1.688 174.866 176.600 -0.077 0.000 1.068 1300 K CA -1.123 55.126 56.287 -0.065 0.000 0.827 1300 K CB 0.291 32.754 32.500 -0.062 0.000 1.524 1300 K HN -0.179 nan 8.250 nan 0.000 0.368 1301 I N 2.063 122.588 120.570 -0.075 0.000 2.396 1301 I HA 0.386 4.556 4.170 0.001 0.000 0.292 1301 I C 0.081 176.164 176.117 -0.057 0.000 0.999 1301 I CA -0.635 60.622 61.300 -0.071 0.000 1.310 1301 I CB 0.386 38.350 38.000 -0.059 0.000 1.404 1301 I HN 0.523 nan 8.210 nan 0.000 0.496 1302 L N 3.701 124.890 121.223 -0.056 0.000 2.303 1302 L HA 0.515 4.856 4.340 0.001 0.000 0.266 1302 L C 0.466 177.329 176.870 -0.012 0.000 1.011 1302 L CA -1.011 53.814 54.840 -0.024 0.000 0.818 1302 L CB 1.738 43.791 42.059 -0.010 0.000 1.326 1302 L HN 0.606 nan 8.230 nan 0.000 0.435 1303 S N -1.472 114.235 115.700 0.011 0.000 2.537 1303 S HA -0.001 4.470 4.470 0.001 0.000 0.286 1303 S C 1.246 175.859 174.600 0.022 0.000 1.299 1303 S CA -0.069 58.139 58.200 0.013 0.000 1.067 1303 S CB 0.895 64.107 63.200 0.019 0.000 0.864 1303 S HN 0.862 nan 8.310 nan 0.000 0.494 1304 T N 0.603 115.158 114.554 0.002 0.000 2.635 1304 T HA -0.245 4.106 4.350 0.001 0.000 0.267 1304 T C 1.923 176.651 174.700 0.047 0.000 1.040 1304 T CA 1.786 63.886 62.100 -0.000 0.000 1.156 1304 T CB -1.113 67.735 68.868 -0.033 0.000 0.863 1304 T HN 0.630 nan 8.240 nan 0.000 0.430 1305 S N 0.970 116.688 115.700 0.031 0.000 2.400 1305 S HA -0.197 4.273 4.470 0.001 0.000 0.232 1305 S C 2.171 176.850 174.600 0.130 0.000 1.025 1305 S CA 1.855 60.092 58.200 0.061 0.000 0.993 1305 S CB -0.611 62.599 63.200 0.017 0.000 0.808 1305 S HN 0.747 nan 8.310 nan 0.000 0.478 1306 E N 0.069 120.335 120.200 0.110 0.000 2.072 1306 E HA -0.068 4.283 4.350 0.001 0.000 0.191 1306 E C 2.087 178.853 176.600 0.276 0.000 0.985 1306 E CA 1.025 57.512 56.400 0.144 0.000 0.801 1306 E CB -0.161 29.613 29.700 0.125 0.000 0.750 1306 E HN 0.532 nan 8.360 nan 0.000 0.452 1307 L N 0.043 121.405 121.223 0.232 0.000 2.093 1307 L HA -0.143 4.198 4.340 0.001 0.000 0.208 1307 L C 2.320 179.346 176.870 0.260 0.000 1.085 1307 L CA 0.902 55.881 54.840 0.232 0.000 0.755 1307 L CB -0.324 41.740 42.059 0.007 0.000 0.904 1307 L HN 0.231 nan 8.230 nan 0.000 0.435 1308 F N 0.811 120.777 119.950 0.027 0.000 2.053 1308 F HA -0.153 4.375 4.527 0.001 0.000 0.292 1308 F C 2.465 178.252 175.800 -0.021 0.000 1.125 1308 F CA 1.562 59.530 58.000 -0.052 0.000 1.193 1308 F CB -0.192 38.720 39.000 -0.147 0.000 0.996 1308 F HN 0.044 nan 8.300 nan 0.000 0.470 1309 N N 0.315 119.125 118.700 0.184 0.000 2.216 1309 N HA -0.124 4.617 4.740 0.001 0.000 0.183 1309 N C 0.874 176.323 175.510 -0.102 0.000 1.017 1309 N CA 1.439 54.516 53.050 0.045 0.000 0.861 1309 N CB -0.462 38.094 38.487 0.115 0.000 0.986 1309 N HN 0.359 nan 8.380 nan 0.000 0.428 1310 D N -1.201 119.132 120.400 -0.110 0.000 2.339 1310 D HA 0.137 4.778 4.640 0.001 0.000 0.217 1310 D C 0.586 176.404 176.300 -0.803 0.000 1.050 1310 D CA 0.250 54.001 54.000 -0.414 0.000 0.856 1310 D CB 0.198 40.727 40.800 -0.451 0.000 0.922 1310 D HN 0.219 nan 8.370 nan 0.000 0.518 1311 F N -0.115 119.752 119.950 -0.139 0.000 1.855 1311 F HA 0.269 4.797 4.527 0.001 0.000 0.228 1311 F C 2.194 177.854 175.800 -0.232 0.000 1.236 1311 F CA -0.166 57.750 58.000 -0.140 0.000 1.308 1311 F CB -0.736 38.221 39.000 -0.071 0.000 1.877 1311 F HN -0.151 nan 8.300 nan 0.000 0.272 1312 A N 0.415 123.210 122.820 -0.042 0.000 1.948 1312 A HA -0.125 4.196 4.320 0.001 0.000 0.220 1312 A C 2.015 179.346 177.584 -0.420 0.000 1.177 1312 A CA 2.580 54.477 52.037 -0.233 0.000 0.636 1312 A CB -1.165 17.623 19.000 -0.353 0.000 0.815 1312 A HN 0.231 nan 8.150 nan 0.000 0.449 1313 V N -0.030 119.585 119.914 -0.499 0.000 2.273 1313 V HA -0.085 4.035 4.120 0.001 0.000 0.242 1313 V C -0.259 175.660 176.094 -0.292 0.000 1.035 1313 V CA 1.951 64.003 62.300 -0.413 0.000 1.013 1313 V CB -1.526 30.055 31.823 -0.403 0.000 0.652 1313 V HN 0.365 nan 8.190 nan 0.000 0.452 1314 P HA -0.049 nan 4.420 nan 0.000 0.222 1314 P C 1.360 178.486 177.300 -0.289 0.000 1.147 1314 P CA 1.283 64.244 63.100 -0.232 0.000 0.790 1314 P CB 0.014 31.579 31.700 -0.224 0.000 0.780 1315 L N -2.264 118.714 121.223 -0.407 0.000 2.693 1315 L HA 0.192 4.533 4.340 0.001 0.000 0.235 1315 L C 0.463 176.805 176.870 -0.881 0.000 1.127 1315 L CA 0.005 54.438 54.840 -0.677 0.000 0.914 1315 L CB -0.395 41.138 42.059 -0.876 0.000 1.193 1315 L HN -0.173 nan 8.230 nan 0.000 0.502 1316 S N -0.436 114.896 115.700 -0.613 0.000 3.533 1316 S HA -0.225 4.246 4.470 0.001 0.000 0.347 1316 S C -0.171 173.863 174.600 -0.944 0.000 1.101 1316 S CA 0.521 58.289 58.200 -0.720 0.000 1.009 1316 S CB -1.771 61.152 63.200 -0.462 0.000 0.916 1316 S HN 0.302 nan 8.310 nan 0.000 0.496 1317 Y N 1.739 121.736 120.300 -0.504 0.000 2.594 1317 Y HA 0.245 4.795 4.550 0.001 0.000 0.344 1317 Y C 1.655 177.338 175.900 -0.362 0.000 1.185 1317 Y CA -1.151 56.717 58.100 -0.387 0.000 1.565 1317 Y CB -0.297 38.023 38.460 -0.233 0.000 1.415 1317 Y HN 0.357 nan 8.280 nan 0.000 0.488 1318 H N 0.869 119.927 119.070 -0.019 0.000 2.470 1318 H HA -0.051 4.506 4.556 0.001 0.000 0.289 1318 H C 1.248 176.486 175.328 -0.150 0.000 1.033 1318 H CA 1.158 57.140 56.048 -0.110 0.000 1.331 1318 H CB 0.178 29.873 29.762 -0.111 0.000 1.414 1318 H HN 0.559 nan 8.280 nan 0.000 0.545 1319 E N 0.893 121.075 120.200 -0.030 0.000 2.051 1319 E HA -0.102 4.249 4.350 0.001 0.000 0.192 1319 E C 2.255 178.823 176.600 -0.054 0.000 0.991 1319 E CA 0.574 56.921 56.400 -0.089 0.000 0.799 1319 E CB -0.099 29.544 29.700 -0.095 0.000 0.748 1319 E HN 0.222 nan 8.360 nan 0.000 0.449 1320 I N 1.480 122.025 120.570 -0.041 0.000 2.052 1320 I HA -0.324 3.847 4.170 0.001 0.000 0.235 1320 I C 2.406 178.505 176.117 -0.030 0.000 1.046 1320 I CA 1.752 63.045 61.300 -0.012 0.000 1.308 1320 I CB -1.707 36.275 38.000 -0.029 0.000 1.031 1320 I HN 0.126 nan 8.210 nan 0.000 0.395 1321 A N 0.705 123.462 122.820 -0.104 0.000 1.971 1321 A HA -0.246 4.075 4.320 0.001 0.000 0.222 1321 A C 2.472 179.851 177.584 -0.341 0.000 1.182 1321 A CA 1.999 53.924 52.037 -0.188 0.000 0.649 1321 A CB -1.061 17.810 19.000 -0.215 0.000 0.818 1321 A HN 0.479 nan 8.150 nan 0.000 0.458 1322 L N -2.553 118.569 121.223 -0.168 0.000 2.005 1322 L HA -0.139 4.202 4.340 0.001 0.000 0.207 1322 L C 2.470 179.420 176.870 0.133 0.000 1.072 1322 L CA 1.604 56.415 54.840 -0.048 0.000 0.744 1322 L CB -0.497 41.416 42.059 -0.243 0.000 0.895 1322 L HN 0.475 nan 8.230 nan 0.000 0.433 1323 F N 0.915 120.830 119.950 -0.059 0.000 2.126 1323 F HA -0.234 4.294 4.527 0.001 0.000 0.299 1323 F C 2.308 178.112 175.800 0.007 0.000 1.096 1323 F CA 1.252 59.246 58.000 -0.010 0.000 1.255 1323 F CB -0.444 38.529 39.000 -0.046 0.000 0.997 1323 F HN -0.052 nan 8.300 nan 0.000 0.479 1324 I N -0.965 119.544 120.570 -0.102 0.000 2.113 1324 I HA -0.402 3.769 4.170 0.001 0.000 0.242 1324 I C 2.399 178.468 176.117 -0.080 0.000 1.064 1324 I CA 1.508 62.698 61.300 -0.183 0.000 1.320 1324 I CB -0.899 37.011 38.000 -0.149 0.000 1.028 1324 I HN 0.016 nan 8.210 nan 0.000 0.406 1325 F N 1.360 121.289 119.950 -0.035 0.000 2.087 1325 F HA -0.299 4.229 4.527 0.001 0.000 0.299 1325 F C 2.598 178.431 175.800 0.055 0.000 1.100 1325 F CA 1.834 59.834 58.000 0.000 0.000 1.226 1325 F CB -0.962 38.076 39.000 0.063 0.000 0.983 1325 F HN 0.087 nan 8.300 nan 0.000 0.479 1326 K N 0.274 120.821 120.400 0.244 0.000 1.991 1326 K HA -0.217 4.103 4.320 0.001 0.000 0.212 1326 K C 2.107 178.734 176.600 0.045 0.000 1.049 1326 K CA 1.893 58.281 56.287 0.169 0.000 0.932 1326 K CB -0.504 32.110 32.500 0.189 0.000 0.717 1326 K HN 0.079 nan 8.250 nan 0.000 0.441 1327 I N 1.802 122.299 120.570 -0.123 0.000 2.163 1327 I HA -0.229 3.942 4.170 0.001 0.000 0.243 1327 I C 2.420 178.508 176.117 -0.047 0.000 1.085 1327 I CA 1.695 62.907 61.300 -0.147 0.000 1.347 1327 I CB -0.764 37.062 38.000 -0.290 0.000 1.044 1327 I HN 0.327 nan 8.210 nan 0.000 0.408 1328 A N -0.924 121.890 122.820 -0.010 0.000 2.121 1328 A HA -0.152 4.168 4.320 0.001 0.000 0.218 1328 A C 1.191 178.823 177.584 0.080 0.000 1.154 1328 A CA 1.258 53.317 52.037 0.037 0.000 0.679 1328 A CB -0.440 18.593 19.000 0.056 0.000 0.795 1328 A HN 0.538 nan 8.150 nan 0.000 0.458 1329 D N -3.619 116.841 120.400 0.100 0.000 2.873 1329 D HA -0.171 4.469 4.640 0.001 0.000 0.228 1329 D C -0.384 175.961 176.300 0.075 0.000 1.122 1329 D CA 0.359 54.406 54.000 0.078 0.000 0.758 1329 D CB -2.084 38.730 40.800 0.023 0.000 1.094 1329 D HN 0.288 nan 8.370 nan 0.000 0.434 1330 F N 0.446 120.379 119.950 -0.028 0.000 2.444 1330 F HA 0.440 4.968 4.527 0.001 0.000 0.331 1330 F C 1.868 177.556 175.800 -0.187 0.000 1.167 1330 F CA 0.506 58.431 58.000 -0.126 0.000 1.262 1330 F CB 0.628 39.524 39.000 -0.173 0.000 1.196 1330 F HN 0.019 nan 8.300 nan 0.000 0.583 1331 R N 0.534 120.589 120.500 -0.742 0.000 2.637 1331 R HA 0.022 4.363 4.340 0.001 0.000 0.262 1331 R C -0.598 175.437 176.300 -0.442 0.000 0.959 1331 R CA -0.304 55.471 56.100 -0.542 0.000 1.061 1331 R CB 0.031 29.872 30.300 -0.766 0.000 1.610 1331 R HN 0.526 nan 8.270 nan 0.000 0.548 1332 D N 1.661 121.589 120.400 -0.788 0.000 2.433 1332 D HA -0.131 4.510 4.640 0.001 0.000 0.274 1332 D C 0.844 177.096 176.300 -0.081 0.000 1.344 1332 D CA 0.735 54.501 54.000 -0.390 0.000 0.989 1332 D CB 0.488 41.050 40.800 -0.397 0.000 1.116 1332 D HN 0.226 nan 8.370 nan 0.000 0.533 1333 H N 3.962 123.010 119.070 -0.036 0.000 2.289 1333 H HA -0.166 4.390 4.556 0.001 0.000 0.296 1333 H C 1.397 176.783 175.328 0.096 0.000 1.091 1333 H CA 2.129 58.220 56.048 0.072 0.000 1.274 1333 H CB 0.500 30.312 29.762 0.084 0.000 1.364 1333 H HN 0.408 nan 8.280 nan 0.000 0.490 1334 E N -0.055 120.229 120.200 0.141 0.000 2.035 1334 E HA -0.163 4.187 4.350 0.001 0.000 0.204 1334 E C 2.583 179.232 176.600 0.082 0.000 1.025 1334 E CA 1.531 57.995 56.400 0.106 0.000 0.835 1334 E CB -0.767 28.999 29.700 0.110 0.000 0.764 1334 E HN 0.388 nan 8.360 nan 0.000 0.457 1335 V N 1.593 121.567 119.914 0.101 0.000 2.490 1335 V HA -0.225 3.896 4.120 0.001 0.000 0.250 1335 V C 2.469 178.615 176.094 0.088 0.000 1.061 1335 V CA 1.318 63.697 62.300 0.133 0.000 1.064 1335 V CB -0.495 31.458 31.823 0.217 0.000 0.670 1335 V HN 0.206 nan 8.190 nan 0.000 0.461 1336 I N -0.524 120.049 120.570 0.006 0.000 2.179 1336 I HA -0.254 3.917 4.170 0.001 0.000 0.242 1336 I C 2.542 178.785 176.117 0.211 0.000 1.088 1336 I CA 1.508 62.816 61.300 0.013 0.000 1.357 1336 I CB -0.311 37.718 38.000 0.049 0.000 1.051 1336 I HN 0.275 nan 8.210 nan 0.000 0.409 1337 M N 0.247 119.934 119.600 0.145 0.000 2.200 1337 M HA -0.056 4.425 4.480 0.001 0.000 0.265 1337 M C 2.624 179.075 176.300 0.253 0.000 1.066 1337 M CA 1.504 56.953 55.300 0.249 0.000 1.127 1337 M CB -1.436 31.168 32.600 0.007 0.000 1.379 1337 M HN 0.248 nan 8.290 nan 0.000 0.420 1338 A N 0.668 123.589 122.820 0.168 0.000 1.948 1338 A HA -0.230 4.090 4.320 0.001 0.000 0.220 1338 A C 2.316 179.987 177.584 0.145 0.000 1.177 1338 A CA 2.246 54.373 52.037 0.150 0.000 0.636 1338 A CB -0.568 18.512 19.000 0.134 0.000 0.815 1338 A HN 0.370 nan 8.150 nan 0.000 0.449 1339 K N -1.128 119.367 120.400 0.160 0.000 2.116 1339 K HA -0.083 4.237 4.320 0.001 0.000 0.203 1339 K C 1.551 178.151 176.600 -0.000 0.000 1.052 1339 K CA 1.194 57.525 56.287 0.074 0.000 0.952 1339 K CB -0.559 32.053 32.500 0.186 0.000 0.729 1339 K HN 0.645 nan 8.250 nan 0.000 0.446 1340 W N 1.100 122.484 121.300 0.140 0.000 2.358 1340 W HA -0.156 4.505 4.660 0.001 0.000 0.303 1340 W C 1.952 178.627 176.519 0.261 0.000 1.208 1340 W CA 1.182 58.632 57.345 0.175 0.000 1.274 1340 W CB -0.395 29.230 29.460 0.275 0.000 1.138 1340 W HN 0.219 nan 8.180 nan 0.000 0.515 1341 D N 0.325 120.984 120.400 0.431 0.000 2.092 1341 D HA -0.209 4.431 4.640 0.001 0.000 0.193 1341 D C 1.782 178.205 176.300 0.205 0.000 0.994 1341 D CA 1.763 55.959 54.000 0.327 0.000 0.828 1341 D CB -0.242 40.673 40.800 0.192 0.000 0.963 1341 D HN 0.157 nan 8.370 nan 0.000 0.450 1342 E N -0.570 119.635 120.200 0.009 0.000 2.070 1342 E HA -0.219 4.132 4.350 0.001 0.000 0.197 1342 E C 2.122 178.592 176.600 -0.216 0.000 1.004 1342 E CA 0.782 57.051 56.400 -0.218 0.000 0.805 1342 E CB -0.238 29.085 29.700 -0.629 0.000 0.744 1342 E HN 0.215 nan 8.360 nan 0.000 0.451 1343 L N 0.389 121.481 121.223 -0.220 0.000 1.997 1343 L HA -0.233 4.108 4.340 0.001 0.000 0.216 1343 L C 2.025 178.779 176.870 -0.193 0.000 1.074 1343 L CA 1.849 56.584 54.840 -0.174 0.000 0.763 1343 L CB -0.584 41.300 42.059 -0.292 0.000 0.890 1343 L HN 0.059 nan 8.230 nan 0.000 0.434 1344 F N -0.454 119.435 119.950 -0.102 0.000 2.146 1344 F HA -0.179 4.349 4.527 0.001 0.000 0.298 1344 F C 2.623 178.497 175.800 0.124 0.000 1.096 1344 F CA 1.559 59.352 58.000 -0.346 0.000 1.275 1344 F CB -0.777 37.823 39.000 -0.665 0.000 1.008 1344 F HN 0.179 nan 8.300 nan 0.000 0.480 1345 Q N 0.109 120.106 119.800 0.329 0.000 2.124 1345 Q HA -0.168 4.173 4.340 0.001 0.000 0.202 1345 Q C 2.420 178.569 176.000 0.248 0.000 0.977 1345 Q CA 1.899 57.881 55.803 0.299 0.000 0.850 1345 Q CB -0.408 28.446 28.738 0.193 0.000 0.901 1345 Q HN 0.508 nan 8.270 nan 0.000 0.429 1346 S N 0.991 116.812 115.700 0.202 0.000 2.355 1346 S HA -0.125 4.346 4.470 0.001 0.000 0.222 1346 S C 2.010 176.752 174.600 0.237 0.000 1.031 1346 S CA 0.664 58.985 58.200 0.201 0.000 0.993 1346 S CB -0.698 62.639 63.200 0.227 0.000 0.859 1346 S HN 0.237 nan 8.310 nan 0.000 0.453 1347 L N 1.422 122.807 121.223 0.269 0.000 2.051 1347 L HA -0.197 4.144 4.340 0.001 0.000 0.214 1347 L C 3.146 180.332 176.870 0.527 0.000 1.076 1347 L CA 1.968 57.041 54.840 0.388 0.000 0.758 1347 L CB -0.510 41.775 42.059 0.377 0.000 0.890 1347 L HN 0.345 nan 8.230 nan 0.000 0.433 1348 R N -0.637 120.163 120.500 0.500 0.000 2.091 1348 R HA -0.201 4.140 4.340 0.001 0.000 0.238 1348 R C 2.374 178.776 176.300 0.170 0.000 1.136 1348 R CA 1.514 57.780 56.100 0.276 0.000 0.959 1348 R CB -0.063 30.387 30.300 0.250 0.000 0.856 1348 R HN 0.241 nan 8.270 nan 0.000 0.437 1349 M N 1.017 120.723 119.600 0.177 0.000 2.108 1349 M HA -0.204 4.277 4.480 0.001 0.000 0.261 1349 M C 1.944 178.302 176.300 0.097 0.000 1.066 1349 M CA 1.841 57.209 55.300 0.113 0.000 1.107 1349 M CB -1.006 31.658 32.600 0.107 0.000 1.356 1349 M HN 0.304 nan 8.290 nan 0.000 0.406 1350 E N -0.876 119.415 120.200 0.152 0.000 2.358 1350 E HA -0.065 4.285 4.350 0.001 0.000 0.195 1350 E C 0.711 177.399 176.600 0.147 0.000 1.010 1350 E CA -0.181 56.303 56.400 0.139 0.000 0.856 1350 E CB -0.408 29.396 29.700 0.173 0.000 0.795 1350 E HN 0.260 nan 8.360 nan 0.000 0.504 1351 F N 2.842 122.759 119.950 -0.054 0.000 2.496 1351 F HA 0.216 4.744 4.527 0.001 0.000 0.344 1351 F C -0.186 175.510 175.800 -0.175 0.000 1.155 1351 F CA -0.679 57.184 58.000 -0.228 0.000 1.302 1351 F CB 0.712 39.220 39.000 -0.820 0.000 1.159 1351 F HN -0.180 nan 8.300 nan 0.000 0.595 1352 N N 3.821 121.800 118.700 -1.201 0.000 2.682 1352 N HA 0.133 4.874 4.740 0.001 0.000 0.252 1352 N C -1.523 173.178 175.510 -1.348 0.000 1.081 1352 N CA -0.460 52.013 53.050 -0.961 0.000 0.844 1352 N CB -0.050 38.179 38.487 -0.430 0.000 1.167 1352 N HN 0.498 nan 8.380 nan 0.000 0.523 1353 N N 1.333 119.292 118.700 -1.235 0.000 2.399 1353 N HA 0.040 4.781 4.740 0.001 0.000 0.259 1353 N C 0.538 175.869 175.510 -0.298 0.000 1.160 1353 N CA 0.290 52.944 53.050 -0.659 0.000 0.946 1353 N CB 0.642 38.994 38.487 -0.225 0.000 1.156 1353 N HN 0.617 nan 8.380 nan 0.000 0.489 1354 T N -0.333 114.103 114.554 -0.196 0.000 3.010 1354 T HA 0.269 4.620 4.350 0.001 0.000 0.257 1354 T C 1.156 175.843 174.700 -0.022 0.000 1.020 1354 T CA 0.391 62.430 62.100 -0.102 0.000 0.938 1354 T CB 0.159 68.969 68.868 -0.097 0.000 1.049 1354 T HN 0.468 nan 8.240 nan 0.000 0.522 1355 G N 1.725 110.543 108.800 0.029 0.000 2.199 1355 G HA2 -0.248 3.713 3.960 0.001 0.000 0.254 1355 G HA3 -0.248 3.713 3.960 0.001 0.000 0.254 1355 G C 0.033 175.046 174.900 0.187 0.000 0.982 1355 G CA 0.097 45.272 45.100 0.125 0.000 0.632 1355 G HN 0.653 nan 8.290 nan 0.000 0.529 1356 K N 0.382 120.816 120.400 0.056 0.000 2.295 1356 K HA 0.290 4.610 4.320 0.001 0.000 0.270 1356 K C 1.328 177.807 176.600 -0.201 0.000 1.011 1356 K CA -0.071 56.218 56.287 0.004 0.000 0.953 1356 K CB 0.962 33.451 32.500 -0.018 0.000 0.956 1356 K HN 0.151 nan 8.250 nan 0.000 0.477 1357 K N 2.354 122.620 120.400 -0.224 0.000 2.362 1357 K HA -0.145 4.176 4.320 0.001 0.000 0.200 1357 K C 1.301 177.740 176.600 -0.268 0.000 1.046 1357 K CA 1.173 57.160 56.287 -0.500 0.000 0.952 1357 K CB 0.365 32.833 32.500 -0.053 0.000 0.753 1357 K HN 0.521 nan 8.250 nan 0.000 0.466 1358 E N 0.940 121.065 120.200 -0.124 0.000 2.014 1358 E HA -0.178 4.173 4.350 0.001 0.000 0.190 1358 E C 1.384 177.982 176.600 -0.002 0.000 0.980 1358 E CA 1.004 57.377 56.400 -0.044 0.000 0.807 1358 E CB -0.716 28.975 29.700 -0.015 0.000 0.770 1358 E HN 0.240 nan 8.360 nan 0.000 0.451 1359 D N 1.563 121.978 120.400 0.025 0.000 2.158 1359 D HA -0.117 4.523 4.640 0.001 0.000 0.197 1359 D C 2.133 178.619 176.300 0.309 0.000 0.995 1359 D CA 1.454 55.547 54.000 0.155 0.000 0.846 1359 D CB -0.383 40.456 40.800 0.066 0.000 0.941 1359 D HN 0.088 nan 8.370 nan 0.000 0.456 1360 S N 0.239 116.009 115.700 0.117 0.000 2.343 1360 S HA -0.132 4.339 4.470 0.001 0.000 0.219 1360 S C 2.083 176.692 174.600 0.015 0.000 1.033 1360 S CA 0.999 59.213 58.200 0.024 0.000 1.014 1360 S CB -0.213 62.851 63.200 -0.227 0.000 0.915 1360 S HN 0.262 nan 8.310 nan 0.000 0.435 1361 M N 1.515 121.102 119.600 -0.022 0.000 2.080 1361 M HA -0.168 4.313 4.480 0.001 0.000 0.260 1361 M C 1.921 178.242 176.300 0.034 0.000 1.068 1361 M CA 1.503 56.808 55.300 0.008 0.000 1.109 1361 M CB -0.928 31.671 32.600 -0.002 0.000 1.342 1361 M HN 0.387 nan 8.290 nan 0.000 0.405 1362 N N 0.027 118.767 118.700 0.066 0.000 2.036 1362 N HA -0.228 4.512 4.740 0.001 0.000 0.195 1362 N C 1.651 177.220 175.510 0.098 0.000 1.037 1362 N CA 1.567 54.668 53.050 0.085 0.000 0.855 1362 N CB -0.366 38.191 38.487 0.117 0.000 1.033 1362 N HN 0.200 nan 8.380 nan 0.000 0.423 1363 F N 1.903 121.845 119.950 -0.014 0.000 2.113 1363 F HA -0.017 4.511 4.527 0.001 0.000 0.297 1363 F C 2.044 177.740 175.800 -0.174 0.000 1.103 1363 F CA 0.959 58.890 58.000 -0.115 0.000 1.248 1363 F CB -0.252 38.512 39.000 -0.394 0.000 0.999 1363 F HN -0.035 nan 8.300 nan 0.000 0.475 1364 I N 0.500 120.983 120.570 -0.145 0.000 2.145 1364 I HA -0.438 3.733 4.170 0.001 0.000 0.244 1364 I C 2.144 178.164 176.117 -0.162 0.000 1.075 1364 I CA 1.516 62.710 61.300 -0.176 0.000 1.332 1364 I CB -0.736 37.276 38.000 0.021 0.000 1.033 1364 I HN 0.242 nan 8.210 nan 0.000 0.410 1365 N N 1.151 119.794 118.700 -0.095 0.000 2.004 1365 N HA -0.206 4.534 4.740 0.001 0.000 0.196 1365 N C 1.868 177.298 175.510 -0.133 0.000 1.064 1365 N CA 1.887 54.893 53.050 -0.073 0.000 0.855 1365 N CB -0.959 37.510 38.487 -0.031 0.000 1.056 1365 N HN 0.357 nan 8.380 nan 0.000 0.423 1366 L N 0.152 121.282 121.223 -0.155 0.000 2.089 1366 L HA -0.097 4.244 4.340 0.001 0.000 0.213 1366 L C 2.073 178.785 176.870 -0.264 0.000 1.079 1366 L CA 1.585 56.325 54.840 -0.166 0.000 0.758 1366 L CB -1.105 40.885 42.059 -0.115 0.000 0.891 1366 L HN 0.130 nan 8.230 nan 0.000 0.433 1367 L N 0.120 121.057 121.223 -0.477 0.000 1.976 1367 L HA -0.127 4.213 4.340 0.001 0.000 0.209 1367 L C 2.545 179.276 176.870 -0.231 0.000 1.071 1367 L CA 2.203 56.747 54.840 -0.492 0.000 0.746 1367 L CB -1.178 40.391 42.059 -0.818 0.000 0.890 1367 L HN 0.400 nan 8.230 nan 0.000 0.432 1368 S N 0.354 115.966 115.700 -0.148 0.000 2.402 1368 S HA -0.189 4.281 4.470 0.001 0.000 0.233 1368 S C 1.725 176.285 174.600 -0.067 0.000 1.030 1368 S CA 1.414 59.591 58.200 -0.039 0.000 1.003 1368 S CB -0.654 62.554 63.200 0.014 0.000 0.813 1368 S HN 0.556 nan 8.310 nan 0.000 0.477 1369 N N 1.275 119.920 118.700 -0.090 0.000 2.080 1369 N HA -0.042 4.698 4.740 0.001 0.000 0.189 1369 N C 1.802 177.259 175.510 -0.089 0.000 1.036 1369 N CA 1.090 54.092 53.050 -0.080 0.000 0.846 1369 N CB -0.943 37.498 38.487 -0.077 0.000 1.015 1369 N HN 0.213 nan 8.380 nan 0.000 0.423 1370 V N 2.017 121.866 119.914 -0.109 0.000 2.287 1370 V HA -0.205 3.916 4.120 0.001 0.000 0.248 1370 V C 2.378 178.418 176.094 -0.091 0.000 1.053 1370 V CA 1.319 63.555 62.300 -0.107 0.000 1.027 1370 V CB -0.690 31.058 31.823 -0.125 0.000 0.646 1370 V HN 0.227 nan 8.190 nan 0.000 0.447 1371 L N -0.586 120.583 121.223 -0.089 0.000 1.994 1371 L HA -0.193 4.148 4.340 0.001 0.000 0.208 1371 L C 2.421 179.262 176.870 -0.048 0.000 1.071 1371 L CA 1.861 56.671 54.840 -0.050 0.000 0.745 1371 L CB -0.677 41.339 42.059 -0.071 0.000 0.892 1371 L HN 0.226 nan 8.230 nan 0.000 0.431 1372 I N -0.103 120.423 120.570 -0.073 0.000 2.335 1372 I HA -0.322 3.849 4.170 0.001 0.000 0.251 1372 I C 2.721 178.779 176.117 -0.097 0.000 1.129 1372 I CA 1.325 62.577 61.300 -0.080 0.000 1.402 1372 I CB -0.326 37.636 38.000 -0.063 0.000 1.069 1372 I HN 0.293 nan 8.210 nan 0.000 0.424 1373 K N 1.328 121.669 120.400 -0.099 0.000 1.965 1373 K HA -0.237 4.083 4.320 0.001 0.000 0.214 1373 K C 2.172 178.675 176.600 -0.162 0.000 1.046 1373 K CA 1.865 58.074 56.287 -0.129 0.000 0.944 1373 K CB -0.253 32.171 32.500 -0.126 0.000 0.726 1373 K HN 0.109 nan 8.250 nan 0.000 0.441 1374 I N 1.324 121.818 120.570 -0.127 0.000 2.530 1374 I HA -0.112 4.059 4.170 0.001 0.000 0.257 1374 I C 1.718 177.793 176.117 -0.071 0.000 1.179 1374 I CA 1.598 62.831 61.300 -0.112 0.000 1.440 1374 I CB -0.552 37.434 38.000 -0.024 0.000 1.087 1374 I HN 0.366 nan 8.210 nan 0.000 0.440 1375 G N 0.198 108.947 108.800 -0.084 0.000 2.414 1375 G HA2 -0.224 3.737 3.960 0.001 0.000 0.215 1375 G HA3 -0.224 3.737 3.960 0.001 0.000 0.215 1375 G C 1.748 176.436 174.900 -0.352 0.000 1.188 1375 G CA 0.600 45.549 45.100 -0.252 0.000 0.783 1375 G HN 0.385 nan 8.290 nan 0.000 0.537 1376 K N 0.421 120.684 120.400 -0.230 0.000 2.113 1376 K HA -0.135 4.186 4.320 0.001 0.000 0.208 1376 K C 2.295 178.776 176.600 -0.199 0.000 1.047 1376 K CA 1.569 57.737 56.287 -0.198 0.000 0.928 1376 K CB -0.258 32.146 32.500 -0.161 0.000 0.716 1376 K HN 0.367 nan 8.250 nan 0.000 0.446 1377 N N -0.041 118.512 118.700 -0.245 0.000 2.270 1377 N HA -0.110 4.630 4.740 0.001 0.000 0.181 1377 N C 1.437 176.939 175.510 -0.012 0.000 1.016 1377 N CA 1.169 54.049 53.050 -0.283 0.000 0.870 1377 N CB 0.361 38.383 38.487 -0.774 0.000 0.979 1377 N HN 0.078 nan 8.380 nan 0.000 0.431 1378 V N -1.208 118.690 119.914 -0.027 0.000 3.477 1378 V HA 0.161 4.282 4.120 0.001 0.000 0.297 1378 V C 1.695 177.771 176.094 -0.030 0.000 1.433 1378 V CA -0.095 62.280 62.300 0.125 0.000 1.052 1378 V CB 0.278 32.286 31.823 0.309 0.000 0.895 1378 V HN 0.085 nan 8.190 nan 0.000 0.438 1379 Q N 2.912 122.493 119.800 -0.364 0.000 2.135 1379 Q HA -0.238 4.103 4.340 0.001 0.000 0.204 1379 Q C 1.509 177.487 176.000 -0.038 0.000 0.981 1379 Q CA 2.521 57.992 55.803 -0.553 0.000 0.856 1379 Q CB -1.070 27.339 28.738 -0.547 0.000 0.902 1379 Q HN 0.724 nan 8.270 nan 0.000 0.425 1380 D N -0.005 120.405 120.400 0.017 0.000 2.371 1380 D HA -0.034 4.606 4.640 0.001 0.000 0.221 1380 D C 0.000 176.383 176.300 0.138 0.000 0.986 1380 D CA 0.649 54.699 54.000 0.084 0.000 0.899 1380 D CB -0.116 40.723 40.800 0.065 0.000 0.902 1380 D HN 0.207 nan 8.370 nan 0.000 0.530 1381 S N -0.280 115.534 115.700 0.190 0.000 2.462 1381 S HA 0.184 4.655 4.470 0.001 0.000 0.294 1381 S C 0.600 175.358 174.600 0.264 0.000 1.144 1381 S CA -0.662 57.687 58.200 0.249 0.000 1.088 1381 S CB 1.469 64.853 63.200 0.308 0.000 1.009 1381 S HN 0.051 nan 8.310 nan 0.000 0.484 1382 E N 3.124 123.395 120.200 0.118 0.000 2.474 1382 E HA 0.056 4.406 4.350 0.001 0.000 0.194 1382 E C 0.176 176.675 176.600 -0.168 0.000 1.041 1382 E CA 0.470 56.836 56.400 -0.057 0.000 0.874 1382 E CB 0.128 29.672 29.700 -0.261 0.000 0.914 1382 E HN 0.769 nan 8.360 nan 0.000 0.498 1383 F N -0.066 120.012 119.950 0.212 0.000 2.505 1383 F HA 0.058 4.585 4.527 0.001 0.000 0.289 1383 F C 1.919 177.890 175.800 0.286 0.000 1.101 1383 F CA 0.188 58.313 58.000 0.208 0.000 1.446 1383 F CB 0.252 39.328 39.000 0.127 0.000 1.123 1383 F HN 0.002 nan 8.300 nan 0.000 0.564 1384 I N -1.380 119.502 120.570 0.520 0.000 3.030 1384 I HA -0.079 4.091 4.170 0.001 0.000 0.270 1384 I C 0.179 176.770 176.117 0.790 0.000 1.211 1384 I CA 1.064 62.717 61.300 0.587 0.000 1.479 1384 I CB -0.736 37.570 38.000 0.511 0.000 1.105 1384 I HN 0.036 nan 8.210 nan 0.000 0.447 1385 F N 3.346 123.528 119.950 0.387 0.000 2.564 1385 F HA 0.450 4.978 4.527 0.001 0.000 0.329 1385 F C -2.456 173.447 175.800 0.171 0.000 1.458 1385 F CA -2.836 55.341 58.000 0.295 0.000 1.117 1385 F CB 0.537 39.698 39.000 0.268 0.000 1.383 1385 F HN -0.163 nan 8.300 nan 0.000 0.571 1386 P HA 0.178 nan 4.420 nan 0.000 0.264 1386 P C 1.213 178.427 177.300 -0.143 0.000 1.537 1386 P CA 0.429 63.534 63.100 0.009 0.000 1.189 1386 P CB 0.029 31.819 31.700 0.150 0.000 1.687 1387 I N 0.729 121.200 120.570 -0.165 0.000 2.423 1387 I HA -0.264 3.907 4.170 0.001 0.000 0.254 1387 I C 1.898 177.891 176.117 -0.206 0.000 1.151 1387 I CA 1.422 62.568 61.300 -0.258 0.000 1.421 1387 I CB -0.501 37.398 38.000 -0.169 0.000 1.079 1387 I HN 0.191 nan 8.210 nan 0.000 0.431 1388 F N 1.898 121.724 119.950 -0.206 0.000 2.186 1388 F HA -0.171 4.357 4.527 0.001 0.000 0.299 1388 F C 2.275 177.993 175.800 -0.136 0.000 1.090 1388 F CA 1.632 59.522 58.000 -0.183 0.000 1.307 1388 F CB 0.108 39.021 39.000 -0.145 0.000 1.019 1388 F HN -0.048 nan 8.300 nan 0.000 0.489 1389 E N -0.165 120.095 120.200 0.100 0.000 2.385 1389 E HA 0.038 4.389 4.350 0.001 0.000 0.194 1389 E C 2.006 178.553 176.600 -0.088 0.000 1.013 1389 E CA 0.503 56.939 56.400 0.061 0.000 0.866 1389 E CB 0.028 29.847 29.700 0.199 0.000 0.832 1389 E HN 0.412 nan 8.360 nan 0.000 0.500 1390 L N -0.864 120.260 121.223 -0.165 0.000 2.200 1390 L HA 0.084 4.425 4.340 0.001 0.000 0.200 1390 L C 1.949 178.788 176.870 -0.052 0.000 1.072 1390 L CA 0.317 55.029 54.840 -0.212 0.000 0.787 1390 L CB -0.249 41.576 42.059 -0.390 0.000 0.957 1390 L HN 0.125 nan 8.230 nan 0.000 0.459 1391 F N 1.973 121.758 119.950 -0.275 0.000 2.095 1391 F HA -0.141 4.387 4.527 0.001 0.000 0.298 1391 F C -0.568 175.136 175.800 -0.160 0.000 1.104 1391 F CA 1.676 59.474 58.000 -0.337 0.000 1.232 1391 F CB -1.348 37.166 39.000 -0.810 0.000 0.987 1391 F HN -0.002 nan 8.300 nan 0.000 0.475 1392 P HA -0.230 nan 4.420 nan 0.000 0.212 1392 P C 2.139 179.371 177.300 -0.112 0.000 1.178 1392 P CA 2.306 65.351 63.100 -0.092 0.000 0.915 1392 P CB -0.178 31.478 31.700 -0.074 0.000 0.788 1393 I N -1.113 119.374 120.570 -0.138 0.000 2.229 1393 I HA -0.275 3.895 4.170 0.001 0.000 0.250 1393 I C 2.184 178.166 176.117 -0.225 0.000 1.096 1393 I CA 1.545 62.723 61.300 -0.203 0.000 1.358 1393 I CB -0.847 36.967 38.000 -0.311 0.000 1.047 1393 I HN -0.145 nan 8.210 nan 0.000 0.422 1394 V N 0.482 120.297 119.914 -0.165 0.000 2.237 1394 V HA -0.326 3.794 4.120 0.001 0.000 0.245 1394 V C 2.675 178.922 176.094 0.254 0.000 1.046 1394 V CA 2.166 64.506 62.300 0.066 0.000 1.007 1394 V CB -0.788 31.130 31.823 0.157 0.000 0.638 1394 V HN 0.568 nan 8.190 nan 0.000 0.445 1395 C N 0.607 119.875 119.300 -0.054 0.000 2.376 1395 C HA -0.249 4.212 4.460 0.001 0.000 0.275 1395 C C 2.574 177.699 174.990 0.225 0.000 1.200 1395 C CA 1.668 60.689 59.018 0.005 0.000 1.756 1395 C CB -1.927 25.702 27.740 -0.185 0.000 2.050 1395 C HN 0.685 nan 8.230 nan 0.000 0.460 1396 N N 0.208 118.960 118.700 0.087 0.000 2.037 1396 N HA -0.246 4.495 4.740 0.001 0.000 0.196 1396 N C 1.614 177.232 175.510 0.179 0.000 1.034 1396 N CA 1.781 54.883 53.050 0.088 0.000 0.861 1396 N CB -0.439 38.060 38.487 0.019 0.000 1.039 1396 N HN 0.545 nan 8.380 nan 0.000 0.427 1397 F N 1.033 120.997 119.950 0.023 0.000 2.161 1397 F HA -0.167 4.361 4.527 0.002 0.000 0.300 1397 F C 1.787 177.647 175.800 0.099 0.000 1.089 1397 F CA 1.278 59.293 58.000 0.025 0.000 1.282 1397 F CB -0.322 38.645 39.000 -0.056 0.000 1.010 1397 F HN -0.053 nan 8.300 nan 0.000 0.485 1398 F N -0.738 119.282 119.950 0.117 0.000 2.051 1398 F HA -0.236 4.292 4.527 0.001 0.000 0.296 1398 F C 2.278 178.009 175.800 -0.114 0.000 1.122 1398 F CA 2.154 60.152 58.000 -0.003 0.000 1.201 1398 F CB -1.223 37.797 39.000 0.032 0.000 0.978 1398 F HN -0.062 nan 8.300 nan 0.000 0.472 1399 Y N -0.291 120.071 120.300 0.104 0.000 2.263 1399 Y HA -0.132 4.419 4.550 0.001 0.000 0.292 1399 Y C 2.110 177.982 175.900 -0.046 0.000 1.130 1399 Y CA 1.021 59.131 58.100 0.016 0.000 1.179 1399 Y CB -0.636 37.821 38.460 -0.006 0.000 0.998 1399 Y HN 0.073 nan 8.280 nan 0.000 0.532 1400 E N -0.524 119.723 120.200 0.077 0.000 2.510 1400 E HA -0.115 4.236 4.350 0.001 0.000 0.202 1400 E C 0.876 177.412 176.600 -0.107 0.000 1.072 1400 E CA 1.246 57.636 56.400 -0.017 0.000 0.883 1400 E CB -0.079 29.605 29.700 -0.026 0.000 0.818 1400 E HN 0.502 nan 8.360 nan 0.000 0.548 1401 T N -0.910 113.544 114.554 -0.166 0.000 3.254 1401 T HA 0.172 4.523 4.350 0.001 0.000 0.267 1401 T C 0.454 175.069 174.700 -0.142 0.000 0.946 1401 T CA -0.235 61.725 62.100 -0.232 0.000 0.991 1401 T CB 0.546 69.099 68.868 -0.526 0.000 1.205 1401 T HN -0.085 nan 8.240 nan 0.000 0.494 1402 L N 2.595 123.722 121.223 -0.160 0.000 2.334 1402 L HA 0.496 4.836 4.340 0.001 0.000 0.275 1402 L C -2.612 174.243 176.870 -0.024 0.000 1.036 1402 L CA -2.559 52.235 54.840 -0.077 0.000 0.807 1402 L CB 0.552 42.541 42.059 -0.118 0.000 1.231 1402 L HN -0.098 nan 8.230 nan 0.000 0.438 1403 P HA 0.011 nan 4.420 nan 0.000 0.262 1403 P C 0.036 177.281 177.300 -0.092 0.000 1.182 1403 P CA 0.098 63.196 63.100 -0.004 0.000 0.761 1403 P CB 0.444 32.143 31.700 -0.002 0.000 0.795 1404 K N 2.796 123.150 120.400 -0.077 0.000 2.173 1404 K HA -0.213 4.108 4.320 0.001 0.000 0.207 1404 K C 1.539 178.078 176.600 -0.102 0.000 1.046 1404 K CA 1.470 57.718 56.287 -0.065 0.000 0.929 1404 K CB -0.016 32.517 32.500 0.055 0.000 0.720 1404 K HN 0.623 nan 8.250 nan 0.000 0.453 1405 E N 0.002 120.101 120.200 -0.168 0.000 2.481 1405 E HA -0.139 4.212 4.350 0.001 0.000 0.195 1405 E C 0.733 177.219 176.600 -0.189 0.000 1.047 1405 E CA 1.076 57.363 56.400 -0.189 0.000 0.867 1405 E CB -0.190 29.367 29.700 -0.238 0.000 0.858 1405 E HN 0.593 nan 8.360 nan 0.000 0.513 1406 H N 0.237 119.283 119.070 -0.040 0.000 2.551 1406 H HA 0.346 4.903 4.556 0.001 0.000 0.271 1406 H C 0.265 175.561 175.328 -0.054 0.000 0.984 1406 H CA -0.304 55.726 56.048 -0.030 0.000 1.164 1406 H CB 0.588 30.342 29.762 -0.013 0.000 1.437 1406 H HN 0.022 nan 8.280 nan 0.000 0.550 1407 I N 2.342 122.894 120.570 -0.031 0.000 2.307 1407 I HA 0.132 4.303 4.170 0.001 0.000 0.289 1407 I C -0.508 175.567 176.117 -0.070 0.000 1.021 1407 I CA -0.583 60.647 61.300 -0.117 0.000 1.224 1407 I CB 1.325 39.044 38.000 -0.468 0.000 1.376 1407 I HN -0.106 nan 8.210 nan 0.000 0.470 1408 V N 4.756 124.640 119.914 -0.049 0.000 2.539 1408 V HA 0.204 4.325 4.120 0.001 0.000 0.292 1408 V C 0.604 176.638 176.094 -0.099 0.000 1.045 1408 V CA -0.662 61.615 62.300 -0.037 0.000 0.945 1408 V CB 1.583 33.398 31.823 -0.013 0.000 0.993 1408 V HN 0.730 nan 8.190 nan 0.000 0.464 1409 S N 3.272 118.950 115.700 -0.036 0.000 2.596 1409 S HA 0.369 4.840 4.470 0.001 0.000 0.298 1409 S C 1.221 175.612 174.600 -0.349 0.000 1.255 1409 S CA 0.773 58.946 58.200 -0.045 0.000 1.083 1409 S CB 0.041 63.311 63.200 0.117 0.000 0.837 1409 S HN 1.516 nan 8.310 nan 0.000 0.499 1410 G N 2.806 111.273 108.800 -0.555 0.000 2.253 1410 G HA2 -0.261 3.699 3.960 0.001 0.000 0.209 1410 G HA3 -0.261 3.699 3.960 0.001 0.000 0.209 1410 G C 1.135 175.405 174.900 -1.050 0.000 0.997 1410 G CA 0.201 44.449 45.100 -1.421 0.000 0.640 1410 G HN 0.621 nan 8.290 nan 0.000 0.496 1411 S N 0.300 115.630 115.700 -0.616 0.000 2.382 1411 S HA -0.026 4.445 4.470 0.001 0.000 0.228 1411 S C 2.242 176.585 174.600 -0.428 0.000 1.027 1411 S CA 1.638 59.587 58.200 -0.419 0.000 0.991 1411 S CB -0.145 62.895 63.200 -0.266 0.000 0.823 1411 S HN 0.440 nan 8.310 nan 0.000 0.469 1412 I N 0.315 120.550 120.570 -0.559 0.000 2.277 1412 I HA -0.011 4.160 4.170 0.001 0.000 0.243 1412 I C 2.297 178.460 176.117 0.077 0.000 1.094 1412 I CA 0.632 61.663 61.300 -0.448 0.000 1.393 1412 I CB -0.675 36.958 38.000 -0.612 0.000 1.078 1412 I HN 0.151 nan 8.210 nan 0.000 0.417 1413 V N 0.276 120.276 119.914 0.144 0.000 2.548 1413 V HA -0.201 3.920 4.120 0.001 0.000 0.249 1413 V C 2.616 178.803 176.094 0.155 0.000 1.055 1413 V CA 2.037 64.527 62.300 0.318 0.000 1.065 1413 V CB -0.507 31.420 31.823 0.173 0.000 0.681 1413 V HN 0.657 nan 8.190 nan 0.000 0.462 1414 S N -0.165 115.468 115.700 -0.111 0.000 2.419 1414 S HA -0.173 4.298 4.470 0.001 0.000 0.233 1414 S C 1.880 176.516 174.600 0.061 0.000 1.016 1414 S CA 1.839 60.019 58.200 -0.034 0.000 0.974 1414 S CB -0.725 62.356 63.200 -0.197 0.000 0.786 1414 S HN 0.634 nan 8.310 nan 0.000 0.492 1415 I N 0.114 120.726 120.570 0.070 0.000 2.142 1415 I HA -0.116 4.055 4.170 0.001 0.000 0.240 1415 I C 2.237 178.374 176.117 0.034 0.000 1.078 1415 I CA 1.549 62.868 61.300 0.032 0.000 1.343 1415 I CB -0.520 37.474 38.000 -0.010 0.000 1.046 1415 I HN 0.226 nan 8.210 nan 0.000 0.405 1416 F N 0.456 120.476 119.950 0.117 0.000 2.102 1416 F HA -0.242 4.285 4.527 0.001 0.000 0.298 1416 F C 2.438 178.272 175.800 0.057 0.000 1.105 1416 F CA 1.237 59.331 58.000 0.157 0.000 1.239 1416 F CB -0.514 38.577 39.000 0.151 0.000 0.991 1416 F HN -0.035 nan 8.300 nan 0.000 0.474 1417 I N 0.057 120.726 120.570 0.165 0.000 2.127 1417 I HA -0.286 3.885 4.170 0.001 0.000 0.241 1417 I C 2.331 178.460 176.117 0.021 0.000 1.075 1417 I CA 1.828 63.114 61.300 -0.022 0.000 1.334 1417 I CB -1.665 36.233 38.000 -0.170 0.000 1.040 1417 I HN 0.149 nan 8.210 nan 0.000 0.405 1418 T N 1.111 115.692 114.554 0.045 0.000 2.962 1418 T HA -0.050 4.301 4.350 0.001 0.000 0.270 1418 T C 1.904 176.606 174.700 0.003 0.000 1.088 1418 T CA 1.101 63.220 62.100 0.031 0.000 1.127 1418 T CB -0.225 68.662 68.868 0.032 0.000 0.883 1418 T HN 0.449 nan 8.240 nan 0.000 0.493 1419 A N 0.651 123.473 122.820 0.004 0.000 2.015 1419 A HA 0.416 4.737 4.320 0.001 0.000 0.219 1419 A C 2.004 179.553 177.584 -0.059 0.000 1.163 1419 A CA 1.331 53.338 52.037 -0.051 0.000 0.646 1419 A CB -0.486 18.473 19.000 -0.069 0.000 0.806 1419 A HN 0.717 nan 8.150 nan 0.000 0.448 1420 G N -2.586 106.221 108.800 0.012 0.000 2.200 1420 G HA2 -0.002 3.959 3.960 0.001 0.000 0.145 1420 G HA3 -0.002 3.959 3.960 0.001 0.000 0.145 1420 G C -0.125 174.873 174.900 0.164 0.000 1.021 1420 G CA -0.103 45.021 45.100 0.039 0.000 0.720 1420 G HN 0.645 nan 8.290 nan 0.000 0.494 1421 V N 2.572 122.579 119.914 0.156 0.000 2.465 1421 V HA 0.629 4.750 4.120 0.001 0.000 0.279 1421 V C 1.236 177.339 176.094 0.015 0.000 1.045 1421 V CA 0.004 62.400 62.300 0.160 0.000 0.938 1421 V CB 1.417 33.368 31.823 0.214 0.000 0.986 1421 V HN 0.835 nan 8.190 nan 0.000 0.467 1422 S N 3.725 119.351 115.700 -0.124 0.000 2.584 1422 S HA 0.273 4.744 4.470 0.001 0.000 0.270 1422 S C 0.774 175.174 174.600 -0.334 0.000 1.346 1422 S CA -0.141 57.787 58.200 -0.454 0.000 1.018 1422 S CB 0.219 62.964 63.200 -0.758 0.000 0.899 1422 S HN 0.436 nan 8.310 nan 0.000 0.542 1423 F N 1.292 120.867 119.950 -0.624 0.000 2.171 1423 F HA -0.111 4.417 4.527 0.001 0.000 0.300 1423 F C 2.531 177.969 175.800 -0.603 0.000 1.090 1423 F CA 1.593 59.077 58.000 -0.861 0.000 1.293 1423 F CB -0.490 37.315 39.000 -1.991 0.000 1.013 1423 F HN 0.654 nan 8.300 nan 0.000 0.486 1424 N N 0.455 119.036 118.700 -0.198 0.000 2.039 1424 N HA -0.236 4.505 4.740 0.001 0.000 0.193 1424 N C 1.948 177.663 175.510 0.342 0.000 1.044 1424 N CA 1.496 54.714 53.050 0.280 0.000 0.847 1424 N CB -0.392 38.290 38.487 0.326 0.000 1.030 1424 N HN 0.290 nan 8.380 nan 0.000 0.422 1425 K N 0.995 121.488 120.400 0.155 0.000 2.002 1425 K HA -0.143 4.178 4.320 0.001 0.000 0.209 1425 K C 2.211 178.862 176.600 0.085 0.000 1.048 1425 K CA 1.229 57.602 56.287 0.145 0.000 0.930 1425 K CB -0.148 32.391 32.500 0.065 0.000 0.714 1425 K HN -0.059 nan 8.250 nan 0.000 0.438 1426 M N 0.507 120.089 119.600 -0.029 0.000 2.144 1426 M HA -0.202 4.279 4.480 0.001 0.000 0.260 1426 M C 1.870 178.085 176.300 -0.142 0.000 1.067 1426 M CA 1.597 56.801 55.300 -0.158 0.000 1.095 1426 M CB -0.577 31.882 32.600 -0.236 0.000 1.365 1426 M HN 0.402 nan 8.290 nan 0.000 0.406 1427 Y N -0.653 119.579 120.300 -0.112 0.000 2.089 1427 Y HA -0.282 4.269 4.550 0.001 0.000 0.282 1427 Y C 1.831 177.639 175.900 -0.153 0.000 1.139 1427 Y CA 2.027 60.053 58.100 -0.124 0.000 1.123 1427 Y CB -0.974 37.487 38.460 0.001 0.000 0.980 1427 Y HN 0.271 nan 8.280 nan 0.000 0.493 1428 Y N 0.371 120.571 120.300 -0.166 0.000 2.165 1428 Y HA -0.269 4.282 4.550 0.001 0.000 0.286 1428 Y C 2.543 178.301 175.900 -0.236 0.000 1.155 1428 Y CA 2.033 59.977 58.100 -0.259 0.000 1.164 1428 Y CB -0.632 37.829 38.460 0.002 0.000 0.978 1428 Y HN 0.158 nan 8.280 nan 0.000 0.513 1429 I N -1.026 119.528 120.570 -0.027 0.000 2.163 1429 I HA -0.326 3.845 4.170 0.001 0.000 0.243 1429 I C 2.289 178.253 176.117 -0.256 0.000 1.085 1429 I CA 1.209 62.469 61.300 -0.067 0.000 1.347 1429 I CB -0.518 37.409 38.000 -0.122 0.000 1.044 1429 I HN 0.214 nan 8.210 nan 0.000 0.408 1430 L N 1.208 122.173 121.223 -0.430 0.000 2.017 1430 L HA -0.227 4.114 4.340 0.001 0.000 0.208 1430 L C 2.535 179.157 176.870 -0.414 0.000 1.073 1430 L CA 1.900 56.412 54.840 -0.548 0.000 0.745 1430 L CB -0.767 40.935 42.059 -0.594 0.000 0.894 1430 L HN 0.126 nan 8.230 nan 0.000 0.432 1431 K N -0.541 119.592 120.400 -0.445 0.000 2.074 1431 K HA -0.286 4.034 4.320 0.001 0.000 0.209 1431 K C 2.128 178.652 176.600 -0.127 0.000 1.048 1431 K CA 2.027 58.124 56.287 -0.317 0.000 0.926 1431 K CB -0.230 31.970 32.500 -0.500 0.000 0.713 1431 K HN 0.527 nan 8.250 nan 0.000 0.444 1432 E N 0.627 120.771 120.200 -0.094 0.000 2.051 1432 E HA -0.198 4.153 4.350 0.001 0.000 0.192 1432 E C 2.122 178.729 176.600 0.012 0.000 0.991 1432 E CA 1.170 57.589 56.400 0.030 0.000 0.799 1432 E CB -0.110 29.678 29.700 0.147 0.000 0.748 1432 E HN 0.357 nan 8.360 nan 0.000 0.449 1433 L N 0.690 121.819 121.223 -0.156 0.000 2.129 1433 L HA -0.226 4.114 4.340 0.001 0.000 0.212 1433 L C 2.427 179.201 176.870 -0.160 0.000 1.087 1433 L CA 0.989 55.618 54.840 -0.352 0.000 0.757 1433 L CB -0.302 41.288 42.059 -0.781 0.000 0.896 1433 L HN 0.318 nan 8.230 nan 0.000 0.434 1434 I N -0.403 120.125 120.570 -0.070 0.000 2.339 1434 I HA -0.209 3.962 4.170 0.001 0.000 0.245 1434 I C 2.464 178.638 176.117 0.095 0.000 1.096 1434 I CA 1.099 62.453 61.300 0.090 0.000 1.408 1434 I CB -0.248 37.846 38.000 0.156 0.000 1.092 1434 I HN 0.337 nan 8.210 nan 0.000 0.423 1435 E N 0.268 120.510 120.200 0.070 0.000 2.427 1435 E HA -0.074 4.277 4.350 0.001 0.000 0.196 1435 E C 1.598 178.235 176.600 0.060 0.000 1.028 1435 E CA 0.966 57.405 56.400 0.066 0.000 0.864 1435 E CB -0.254 29.482 29.700 0.060 0.000 0.813 1435 E HN 0.323 nan 8.360 nan 0.000 0.514 1436 T N 1.092 115.685 114.554 0.066 0.000 2.937 1436 T HA -0.046 4.305 4.350 0.001 0.000 0.260 1436 T C 1.028 175.772 174.700 0.073 0.000 1.051 1436 T CA 0.876 63.022 62.100 0.077 0.000 1.141 1436 T CB 0.069 69.013 68.868 0.127 0.000 0.879 1436 T HN 0.299 nan 8.240 nan 0.000 0.459 1437 S N 1.914 117.661 115.700 0.079 0.000 2.537 1437 S HA 0.271 4.741 4.470 0.001 0.000 0.275 1437 S C -0.171 174.469 174.600 0.066 0.000 1.272 1437 S CA -0.763 57.486 58.200 0.083 0.000 1.050 1437 S CB 1.069 64.344 63.200 0.124 0.000 0.961 1437 S HN 0.036 nan 8.310 nan 0.000 0.496 1438 D N 1.646 122.075 120.400 0.049 0.000 2.328 1438 D HA 0.103 4.744 4.640 0.001 0.000 0.226 1438 D C 1.153 177.467 176.300 0.025 0.000 1.066 1438 D CA 0.202 54.222 54.000 0.034 0.000 0.861 1438 D CB 0.017 40.832 40.800 0.025 0.000 0.912 1438 D HN 0.664 nan 8.370 nan 0.000 0.521 1439 S N -0.246 115.471 115.700 0.029 0.000 2.598 1439 S HA 0.113 4.584 4.470 0.001 0.000 0.267 1439 S C 1.074 175.669 174.600 -0.007 0.000 1.189 1439 S CA -0.569 57.633 58.200 0.004 0.000 1.010 1439 S CB 0.846 64.041 63.200 -0.008 0.000 1.084 1439 S HN -0.204 nan 8.310 nan 0.000 0.541 1440 D N 1.005 121.380 120.400 -0.043 0.000 2.097 1440 D HA -0.015 4.626 4.640 0.001 0.000 0.197 1440 D C 0.227 176.498 176.300 -0.048 0.000 0.984 1440 D CA 1.248 55.217 54.000 -0.052 0.000 0.826 1440 D CB -0.712 40.036 40.800 -0.086 0.000 0.973 1440 D HN 0.596 nan 8.370 nan 0.000 0.460 1441 N N -0.823 117.816 118.700 -0.101 0.000 2.741 1441 N HA -0.185 4.556 4.740 0.001 0.000 0.251 1441 N C 0.972 176.416 175.510 -0.111 0.000 1.112 1441 N CA 0.959 53.955 53.050 -0.089 0.000 0.750 1441 N CB -1.718 36.837 38.487 0.114 0.000 1.119 1441 N HN 0.300 nan 8.380 nan 0.000 0.561 1442 S N -1.870 113.732 115.700 -0.164 0.000 2.399 1442 S HA -0.069 4.401 4.470 0.001 0.000 0.231 1442 S C 1.806 176.321 174.600 -0.142 0.000 1.022 1442 S CA 1.400 59.531 58.200 -0.115 0.000 0.983 1442 S CB -0.164 62.965 63.200 -0.117 0.000 0.803 1442 S HN 0.171 nan 8.310 nan 0.000 0.480 1443 V N 0.950 120.668 119.914 -0.327 0.000 2.273 1443 V HA -0.002 4.119 4.120 0.001 0.000 0.242 1443 V C 2.271 178.308 176.094 -0.095 0.000 1.035 1443 V CA 1.459 63.563 62.300 -0.327 0.000 1.013 1443 V CB -1.026 30.407 31.823 -0.651 0.000 0.652 1443 V HN 0.406 nan 8.190 nan 0.000 0.452 1444 F N 1.410 121.368 119.950 0.013 0.000 2.126 1444 F HA -0.172 4.355 4.527 0.001 0.000 0.299 1444 F C 2.184 178.025 175.800 0.069 0.000 1.096 1444 F CA 1.423 59.467 58.000 0.074 0.000 1.255 1444 F CB -1.739 37.286 39.000 0.043 0.000 0.997 1444 F HN 0.248 nan 8.300 nan 0.000 0.479 1445 N N 0.301 119.145 118.700 0.240 0.000 2.104 1445 N HA -0.197 4.544 4.740 0.001 0.000 0.190 1445 N C 1.721 177.362 175.510 0.218 0.000 1.024 1445 N CA 1.346 54.543 53.050 0.245 0.000 0.853 1445 N CB -0.197 38.412 38.487 0.204 0.000 1.008 1445 N HN 0.318 nan 8.380 nan 0.000 0.424 1446 K N 0.749 121.247 120.400 0.164 0.000 2.057 1446 K HA -0.103 4.218 4.320 0.001 0.000 0.207 1446 K C 1.758 178.490 176.600 0.219 0.000 1.049 1446 K CA 0.909 57.296 56.287 0.167 0.000 0.931 1446 K CB 0.050 32.620 32.500 0.117 0.000 0.714 1446 K HN 0.217 nan 8.250 nan 0.000 0.440 1447 E N 0.856 121.185 120.200 0.214 0.000 2.015 1447 E HA -0.203 4.148 4.350 0.001 0.000 0.191 1447 E C 2.020 178.786 176.600 0.276 0.000 0.991 1447 E CA 1.168 57.716 56.400 0.247 0.000 0.802 1447 E CB -0.308 29.569 29.700 0.295 0.000 0.759 1447 E HN 0.191 nan 8.360 nan 0.000 0.447 1448 M N 1.144 120.834 119.600 0.150 0.000 2.106 1448 M HA -0.170 4.311 4.480 0.001 0.000 0.259 1448 M C 2.091 178.485 176.300 0.157 0.000 1.068 1448 M CA 1.824 57.135 55.300 0.018 0.000 1.100 1448 M CB -0.720 31.697 32.600 -0.304 0.000 1.351 1448 M HN -0.007 nan 8.290 nan 0.000 0.404 1449 T N -0.863 113.844 114.554 0.256 0.000 2.720 1449 T HA -0.231 4.119 4.350 0.001 0.000 0.268 1449 T C 1.177 176.118 174.700 0.401 0.000 1.037 1449 T CA 1.878 64.183 62.100 0.341 0.000 1.144 1449 T CB -0.710 68.339 68.868 0.303 0.000 0.864 1449 T HN 0.770 nan 8.240 nan 0.000 0.444 1450 W N 1.274 122.677 121.300 0.171 0.000 2.388 1450 W HA 0.009 4.670 4.660 0.001 0.000 0.294 1450 W C 1.865 178.495 176.519 0.184 0.000 1.212 1450 W CA 0.345 57.782 57.345 0.153 0.000 1.271 1450 W CB -0.389 29.131 29.460 0.099 0.000 1.126 1450 W HN 0.147 nan 8.180 nan 0.000 0.535 1451 L N 1.149 122.633 121.223 0.435 0.000 1.988 1451 L HA -0.149 4.192 4.340 0.001 0.000 0.207 1451 L C 2.295 179.247 176.870 0.137 0.000 1.071 1451 L CA 2.137 57.134 54.840 0.261 0.000 0.744 1451 L CB -1.222 40.986 42.059 0.249 0.000 0.893 1451 L HN 0.103 nan 8.230 nan 0.000 0.433 1452 I N -0.727 119.932 120.570 0.149 0.000 2.194 1452 I HA -0.382 3.789 4.170 0.001 0.000 0.246 1452 I C 2.366 178.433 176.117 -0.083 0.000 1.093 1452 I CA 1.734 63.064 61.300 0.050 0.000 1.355 1452 I CB -0.640 37.389 38.000 0.047 0.000 1.046 1452 I HN 0.421 nan 8.210 nan 0.000 0.413 1453 H N -0.243 118.784 119.070 -0.072 0.000 2.457 1453 H HA -0.169 4.388 4.556 0.001 0.000 0.294 1453 H C 2.106 177.329 175.328 -0.175 0.000 1.064 1453 H CA 1.240 57.213 56.048 -0.125 0.000 1.330 1453 H CB 0.055 29.725 29.762 -0.154 0.000 1.395 1453 H HN 0.239 nan 8.280 nan 0.000 0.541 1454 E N -0.434 119.651 120.200 -0.191 0.000 2.158 1454 E HA -0.126 4.225 4.350 0.001 0.000 0.191 1454 E C 1.725 178.382 176.600 0.094 0.000 0.982 1454 E CA 0.565 56.836 56.400 -0.215 0.000 0.823 1454 E CB -0.160 29.171 29.700 -0.616 0.000 0.766 1454 E HN 0.460 nan 8.360 nan 0.000 0.468 1455 W N 0.065 121.273 121.300 -0.153 0.000 2.408 1455 W HA -0.159 4.501 4.660 0.001 0.000 0.311 1455 W C 1.882 177.964 176.519 -0.727 0.000 1.190 1455 W CA 1.294 58.255 57.345 -0.640 0.000 1.321 1455 W CB -1.345 27.635 29.460 -0.799 0.000 1.143 1455 W HN 0.203 nan 8.180 nan 0.000 0.501 1456 Y N 2.420 122.400 120.300 -0.533 0.000 2.081 1456 Y HA -0.346 4.205 4.550 0.001 0.000 0.280 1456 Y C 2.524 178.354 175.900 -0.117 0.000 1.163 1456 Y CA 3.612 61.548 58.100 -0.274 0.000 1.135 1456 Y CB -0.572 37.836 38.460 -0.086 0.000 0.970 1456 Y HN 0.082 nan 8.280 nan 0.000 0.498 1457 K N -1.244 119.213 120.400 0.095 0.000 2.525 1457 K HA 0.098 4.419 4.320 0.001 0.000 0.192 1457 K C 1.197 177.791 176.600 -0.011 0.000 1.029 1457 K CA 1.190 57.511 56.287 0.056 0.000 1.029 1457 K CB 0.077 32.653 32.500 0.127 0.000 0.814 1457 K HN 0.124 nan 8.250 nan 0.000 0.503 1458 S N -0.020 115.646 115.700 -0.057 0.000 2.554 1458 S HA 0.038 4.509 4.470 0.001 0.000 0.227 1458 S C -0.547 174.034 174.600 -0.032 0.000 1.050 1458 S CA -0.256 57.969 58.200 0.042 0.000 0.927 1458 S CB 0.410 63.696 63.200 0.142 0.000 0.859 1458 S HN 0.365 nan 8.310 nan 0.000 0.494 1459 D N 1.049 121.189 120.400 -0.432 0.000 2.549 1459 D HA 0.286 4.926 4.640 0.001 0.000 0.251 1459 D C 0.718 176.769 176.300 -0.413 0.000 1.153 1459 D CA -0.517 53.062 54.000 -0.700 0.000 0.861 1459 D CB 1.181 41.048 40.800 -1.555 0.000 1.207 1459 D HN -0.057 nan 8.370 nan 0.000 0.543 1460 R N 4.003 124.340 120.500 -0.271 0.000 2.081 1460 R HA -0.148 4.193 4.340 0.001 0.000 0.235 1460 R C 1.668 177.816 176.300 -0.253 0.000 1.131 1460 R CA 1.473 57.429 56.100 -0.240 0.000 0.960 1460 R CB 0.023 30.236 30.300 -0.144 0.000 0.856 1460 R HN 0.367 nan 8.270 nan 0.000 0.436 1461 K N -0.448 119.818 120.400 -0.222 0.000 2.218 1461 K HA -0.213 4.108 4.320 0.001 0.000 0.205 1461 K C 1.738 178.160 176.600 -0.296 0.000 1.046 1461 K CA 1.673 57.837 56.287 -0.206 0.000 0.933 1461 K CB -0.248 32.172 32.500 -0.133 0.000 0.728 1461 K HN 0.284 nan 8.250 nan 0.000 0.454 1462 F N 1.039 120.665 119.950 -0.540 0.000 2.317 1462 F HA 0.084 4.612 4.527 0.001 0.000 0.293 1462 F C 1.862 177.331 175.800 -0.552 0.000 1.085 1462 F CA 0.676 58.276 58.000 -0.667 0.000 1.390 1462 F CB 0.177 38.623 39.000 -0.923 0.000 1.077 1462 F HN -0.113 nan 8.300 nan 0.000 0.517 1463 R N 0.145 120.374 120.500 -0.451 0.000 2.285 1463 R HA -0.093 4.248 4.340 0.001 0.000 0.213 1463 R C 0.695 176.812 176.300 -0.306 0.000 1.068 1463 R CA 1.104 56.887 56.100 -0.529 0.000 1.004 1463 R CB -0.409 29.424 30.300 -0.778 0.000 0.873 1463 R HN 0.280 nan 8.270 nan 0.000 0.467 1464 D N 0.461 120.664 120.400 -0.330 0.000 2.349 1464 D HA -0.019 4.621 4.640 0.001 0.000 0.224 1464 D C 1.625 177.747 176.300 -0.298 0.000 1.029 1464 D CA 0.616 54.467 54.000 -0.248 0.000 0.879 1464 D CB 0.230 40.907 40.800 -0.204 0.000 0.906 1464 D HN 0.454 nan 8.370 nan 0.000 0.528 1465 I N -3.745 116.530 120.570 -0.492 0.000 4.244 1465 I HA 0.282 4.452 4.170 0.001 0.000 0.318 1465 I C 0.191 176.001 176.117 -0.511 0.000 1.282 1465 I CA 0.022 60.920 61.300 -0.670 0.000 1.276 1465 I CB 0.844 38.011 38.000 -1.389 0.000 1.183 1465 I HN -0.304 nan 8.210 nan 0.000 0.431 1466 I N 2.336 122.639 120.570 -0.445 0.000 2.533 1466 I HA 0.285 4.456 4.170 0.001 0.000 0.290 1466 I C 0.106 176.212 176.117 -0.020 0.000 1.056 1466 I CA -0.827 60.326 61.300 -0.245 0.000 1.057 1466 I CB 2.333 40.124 38.000 -0.348 0.000 1.240 1466 I HN 0.185 nan 8.210 nan 0.000 0.423 1467 S N 4.353 120.044 115.700 -0.014 0.000 2.593 1467 S HA 0.045 4.515 4.470 0.001 0.000 0.269 1467 S C 0.934 175.543 174.600 0.015 0.000 1.334 1467 S CA -0.214 58.021 58.200 0.058 0.000 1.015 1467 S CB 0.608 63.828 63.200 0.034 0.000 0.912 1467 S HN 0.711 nan 8.310 nan 0.000 0.541 1468 Y N 2.371 122.673 120.300 0.004 0.000 2.315 1468 Y HA -0.175 4.376 4.550 0.001 0.000 0.288 1468 Y C 1.671 177.423 175.900 -0.248 0.000 1.154 1468 Y CA 2.021 60.033 58.100 -0.146 0.000 1.229 1468 Y CB -0.479 37.990 38.460 0.016 0.000 0.980 1468 Y HN 0.662 nan 8.280 nan 0.000 0.540 1469 N N 0.524 119.080 118.700 -0.240 0.000 2.135 1469 N HA -0.143 4.597 4.740 0.001 0.000 0.186 1469 N C 0.816 175.963 175.510 -0.605 0.000 1.027 1469 N CA 1.610 54.426 53.050 -0.390 0.000 0.849 1469 N CB -0.543 37.911 38.487 -0.055 0.000 1.002 1469 N HN 0.428 nan 8.380 nan 0.000 0.425 1470 D N -0.024 120.219 120.400 -0.261 0.000 2.338 1470 D HA 0.004 4.644 4.640 0.001 0.000 0.239 1470 D C 1.211 177.371 176.300 -0.234 0.000 1.095 1470 D CA 0.129 54.079 54.000 -0.083 0.000 0.888 1470 D CB 0.200 40.987 40.800 -0.022 0.000 0.899 1470 D HN 0.239 nan 8.370 nan 0.000 0.525 1471 I N -0.134 120.134 120.570 -0.503 0.000 4.197 1471 I HA 0.080 4.251 4.170 0.001 0.000 0.307 1471 I C 1.651 177.479 176.117 -0.482 0.000 1.236 1471 I CA -0.038 60.932 61.300 -0.550 0.000 1.321 1471 I CB 0.206 37.686 38.000 -0.867 0.000 1.309 1471 I HN -0.084 nan 8.210 nan 0.000 0.450 1472 I N -1.252 118.935 120.570 -0.639 0.000 2.756 1472 I HA -0.151 4.019 4.170 0.001 0.000 0.262 1472 I C 1.999 177.972 176.117 -0.240 0.000 1.225 1472 I CA 1.186 62.227 61.300 -0.432 0.000 1.472 1472 I CB -0.906 36.715 38.000 -0.630 0.000 1.094 1472 I HN 0.161 nan 8.210 nan 0.000 0.454 1473 H N 1.841 120.839 119.070 -0.119 0.000 2.299 1473 H HA 0.079 4.636 4.556 0.001 0.000 0.302 1473 H C 1.021 176.347 175.328 -0.002 0.000 1.078 1473 H CA 0.569 56.581 56.048 -0.060 0.000 1.323 1473 H CB -0.484 29.234 29.762 -0.072 0.000 1.381 1473 H HN 0.290 nan 8.280 nan 0.000 0.498 1474 L N 3.238 124.541 121.223 0.133 0.000 2.704 1474 L HA -0.036 4.305 4.340 0.001 0.000 0.279 1474 L C 0.989 178.005 176.870 0.242 0.000 1.147 1474 L CA 0.512 55.446 54.840 0.157 0.000 0.994 1474 L CB 0.025 42.159 42.059 0.125 0.000 1.332 1474 L HN 0.037 nan 8.230 nan 0.000 0.471 1475 K N 2.752 123.245 120.400 0.155 0.000 2.308 1475 K HA 0.224 4.545 4.320 0.001 0.000 0.197 1475 K C -0.140 176.537 176.600 0.128 0.000 1.049 1475 K CA 0.413 56.769 56.287 0.115 0.000 0.991 1475 K CB 0.491 33.031 32.500 0.066 0.000 0.836 1475 K HN 0.569 nan 8.250 nan 0.000 0.500 1476 E N 0.174 120.455 120.200 0.135 0.000 2.290 1476 E HA 0.118 4.469 4.350 0.001 0.000 0.274 1476 E C -1.785 174.921 176.600 0.176 0.000 0.889 1476 E CA -0.772 55.721 56.400 0.155 0.000 0.760 1476 E CB 1.835 31.598 29.700 0.105 0.000 1.206 1476 E HN -0.025 nan 8.360 nan 0.000 0.419 1477 Y N 2.904 123.268 120.300 0.106 0.000 2.497 1477 Y HA 0.172 4.722 4.550 0.001 0.000 0.334 1477 Y C -0.503 175.442 175.900 0.075 0.000 1.199 1477 Y CA 0.682 58.843 58.100 0.101 0.000 1.425 1477 Y CB 0.576 39.108 38.460 0.121 0.000 1.291 1477 Y HN 0.319 nan 8.280 nan 0.000 0.562 1478 K N 6.358 126.289 120.400 -0.782 0.000 2.527 1478 K HA 0.292 4.613 4.320 0.001 0.000 0.260 1478 K C 0.424 176.534 176.600 -0.818 0.000 0.937 1478 K CA -0.720 55.197 56.287 -0.616 0.000 0.826 1478 K CB 1.944 34.294 32.500 -0.250 0.000 1.359 1478 K HN 0.714 nan 8.250 nan 0.000 0.434 1479 I N 1.236 121.534 120.570 -0.453 0.000 2.423 1479 I HA -0.311 3.860 4.170 0.001 0.000 0.254 1479 I C 1.610 177.636 176.117 -0.151 0.000 1.151 1479 I CA 1.582 62.744 61.300 -0.229 0.000 1.421 1479 I CB -0.264 37.702 38.000 -0.056 0.000 1.079 1479 I HN 0.687 nan 8.210 nan 0.000 0.431 1480 D N -0.362 119.948 120.400 -0.151 0.000 2.327 1480 D HA -0.098 4.542 4.640 0.001 0.000 0.205 1480 D C 1.437 177.678 176.300 -0.098 0.000 0.989 1480 D CA 0.543 54.488 54.000 -0.092 0.000 0.873 1480 D CB -0.656 40.103 40.800 -0.069 0.000 0.955 1480 D HN 0.217 nan 8.370 nan 0.000 0.515 1481 N N 0.903 119.511 118.700 -0.154 0.000 2.494 1481 N HA -0.057 4.684 4.740 0.001 0.000 0.182 1481 N C -0.060 175.406 175.510 -0.073 0.000 1.076 1481 N CA 0.272 53.255 53.050 -0.112 0.000 0.908 1481 N CB -0.365 38.050 38.487 -0.121 0.000 0.967 1481 N HN 0.195 nan 8.380 nan 0.000 0.449 1482 D N 1.205 121.546 120.400 -0.098 0.000 2.426 1482 D HA -0.014 4.627 4.640 0.001 0.000 0.261 1482 D C -1.539 174.812 176.300 0.085 0.000 1.245 1482 D CA -1.382 52.665 54.000 0.078 0.000 0.917 1482 D CB 1.078 41.974 40.800 0.160 0.000 1.123 1482 D HN 0.116 nan 8.370 nan 0.000 0.508 1483 P HA -0.035 nan 4.420 nan 0.000 0.219 1483 P C 1.584 178.888 177.300 0.008 0.000 1.150 1483 P CA 0.684 63.798 63.100 0.024 0.000 0.814 1483 P CB 0.306 32.003 31.700 -0.005 0.000 0.787 1484 I N -0.444 120.143 120.570 0.028 0.000 2.233 1484 I HA -0.194 3.977 4.170 0.001 0.000 0.243 1484 I C 2.465 178.633 176.117 0.085 0.000 1.093 1484 I CA 1.338 62.623 61.300 -0.026 0.000 1.380 1484 I CB -0.645 37.243 38.000 -0.185 0.000 1.067 1484 I HN -0.053 nan 8.210 nan 0.000 0.413 1485 E N 1.785 122.068 120.200 0.139 0.000 2.118 1485 E HA -0.286 4.065 4.350 0.001 0.000 0.195 1485 E C 2.089 178.734 176.600 0.075 0.000 0.992 1485 E CA 1.659 58.137 56.400 0.131 0.000 0.804 1485 E CB -0.110 29.669 29.700 0.132 0.000 0.741 1485 E HN 0.316 nan 8.360 nan 0.000 0.458 1486 K N -1.044 119.392 120.400 0.059 0.000 2.031 1486 K HA -0.190 4.131 4.320 0.001 0.000 0.205 1486 K C 2.197 178.813 176.600 0.027 0.000 1.049 1486 K CA 1.268 57.573 56.287 0.030 0.000 0.939 1486 K CB -0.460 32.053 32.500 0.021 0.000 0.717 1486 K HN 0.276 nan 8.250 nan 0.000 0.438 1487 Y N 0.958 121.212 120.300 -0.076 0.000 2.403 1487 Y HA -0.155 4.396 4.550 0.001 0.000 0.291 1487 Y C 1.510 177.368 175.900 -0.071 0.000 1.143 1487 Y CA 1.037 59.076 58.100 -0.102 0.000 1.257 1487 Y CB 0.126 38.478 38.460 -0.180 0.000 0.984 1487 Y HN -0.127 nan 8.280 nan 0.000 0.550 1488 V N 0.340 120.217 119.914 -0.060 0.000 2.591 1488 V HA -0.188 3.932 4.120 0.001 0.000 0.249 1488 V C 1.690 177.717 176.094 -0.111 0.000 1.053 1488 V CA 1.655 63.901 62.300 -0.090 0.000 1.068 1488 V CB -0.362 31.498 31.823 0.062 0.000 0.689 1488 V HN 0.238 nan 8.190 nan 0.000 0.462 1489 K N 0.694 121.050 120.400 -0.074 0.000 2.632 1489 K HA 0.038 4.359 4.320 0.001 0.000 0.196 1489 K C 0.711 177.252 176.600 -0.099 0.000 1.023 1489 K CA 0.307 56.556 56.287 -0.062 0.000 1.098 1489 K CB -0.017 32.465 32.500 -0.030 0.000 0.862 1489 K HN 0.438 nan 8.250 nan 0.000 0.504 1490 N N -1.657 116.938 118.700 -0.174 0.000 2.268 1490 N HA 0.027 4.768 4.740 0.001 0.000 0.256 1490 N C 0.854 176.214 175.510 -0.250 0.000 1.090 1490 N CA 0.280 53.218 53.050 -0.187 0.000 0.806 1490 N CB 0.669 39.050 38.487 -0.176 0.000 1.644 1490 N HN -0.137 nan 8.380 nan 0.000 0.544 1491 S N -0.270 115.167 115.700 -0.438 0.000 2.505 1491 S HA 0.520 4.991 4.470 0.001 0.000 0.216 1491 S C 0.762 175.185 174.600 -0.295 0.000 1.018 1491 S CA 0.336 58.270 58.200 -0.443 0.000 0.911 1491 S CB 1.496 64.205 63.200 -0.817 0.000 0.818 1491 S HN 0.656 nan 8.310 nan 0.000 0.497 1492 G N 2.756 111.401 108.800 -0.257 0.000 2.479 1492 G HA2 -0.130 3.831 3.960 0.001 0.000 0.686 1492 G HA3 -0.130 3.831 3.960 0.001 0.000 0.686 1492 G C -0.529 174.345 174.900 -0.044 0.000 1.295 1492 G CA -0.417 44.617 45.100 -0.110 0.000 0.922 1492 G HN 0.271 nan 8.290 nan 0.000 0.582 1493 N N 0.074 118.794 118.700 0.033 0.000 2.346 1493 N HA 0.058 4.799 4.740 0.001 0.000 0.225 1493 N C 0.180 175.771 175.510 0.135 0.000 1.144 1493 N CA -0.253 52.866 53.050 0.114 0.000 0.837 1493 N CB 0.278 38.845 38.487 0.133 0.000 1.069 1493 N HN 0.471 nan 8.380 nan 0.000 0.487 1494 N N 1.220 119.986 118.700 0.110 0.000 2.602 1494 N HA 0.161 4.901 4.740 0.001 0.000 0.238 1494 N C 0.126 175.720 175.510 0.141 0.000 1.084 1494 N CA -0.278 52.840 53.050 0.113 0.000 0.952 1494 N CB 0.369 38.902 38.487 0.076 0.000 1.244 1494 N HN 0.271 nan 8.380 nan 0.000 0.512 1495 L N 1.820 123.132 121.223 0.148 0.000 2.611 1495 L HA 0.324 4.665 4.340 0.001 0.000 0.229 1495 L C 1.212 178.146 176.870 0.107 0.000 1.137 1495 L CA -0.194 54.709 54.840 0.104 0.000 0.901 1495 L CB -0.777 41.365 42.059 0.138 0.000 1.098 1495 L HN 0.606 nan 8.230 nan 0.000 0.456 1496 G N 1.544 110.412 108.800 0.113 0.000 2.829 1496 G HA2 -0.241 3.719 3.960 0.001 0.000 0.628 1496 G HA3 -0.241 3.719 3.960 0.001 0.000 0.628 1496 G C -0.018 174.976 174.900 0.157 0.000 1.412 1496 G CA -0.286 44.882 45.100 0.113 0.000 0.864 1496 G HN 0.339 nan 8.290 nan 0.000 0.544 1497 I N -1.771 118.888 120.570 0.147 0.000 3.205 1497 I HA 0.331 4.501 4.170 0.001 0.000 0.287 1497 I C 1.314 177.553 176.117 0.202 0.000 1.266 1497 I CA -0.548 60.849 61.300 0.162 0.000 1.378 1497 I CB -0.255 37.836 38.000 0.152 0.000 1.347 1497 I HN 0.677 nan 8.210 nan 0.000 0.603 1498 C N 4.733 124.130 119.300 0.162 0.000 2.596 1498 C HA 0.075 4.536 4.460 0.001 0.000 0.414 1498 C C 0.225 175.249 174.990 0.058 0.000 1.396 1498 C CA -0.095 58.950 59.018 0.046 0.000 1.698 1498 C CB -1.459 26.195 27.740 -0.142 0.000 2.572 1498 C HN 0.592 nan 8.230 nan 0.000 0.604 1499 F N 4.677 124.548 119.950 -0.132 0.000 2.361 1499 F HA 0.542 5.070 4.527 0.001 0.000 0.364 1499 F C -0.279 175.386 175.800 -0.225 0.000 1.120 1499 F CA -0.593 57.341 58.000 -0.110 0.000 1.102 1499 F CB 0.020 39.004 39.000 -0.026 0.000 1.183 1499 F HN 0.616 nan 8.300 nan 0.000 0.476 1500 Y N 3.523 123.509 120.300 -0.523 0.000 2.496 1500 Y HA 0.363 4.914 4.550 0.001 0.000 0.325 1500 Y C 0.162 175.741 175.900 -0.536 0.000 1.271 1500 Y CA -0.815 57.073 58.100 -0.353 0.000 1.368 1500 Y CB 0.710 39.056 38.460 -0.189 0.000 1.415 1500 Y HN 0.390 nan 8.280 nan 0.000 0.527 1501 K N 1.248 121.652 120.400 0.007 0.000 2.227 1501 K HA 0.400 4.721 4.320 0.001 0.000 0.280 1501 K C 0.011 176.592 176.600 -0.031 0.000 1.041 1501 K CA -0.137 56.153 56.287 0.006 0.000 0.905 1501 K CB 0.535 33.098 32.500 0.105 0.000 1.068 1501 K HN 0.816 nan 8.250 nan 0.000 0.470 1502 E N 0.000 120.170 120.200 -0.050 0.000 2.725 1502 E HA 0.000 4.351 4.350 0.001 0.000 0.291 1502 E CA 0.000 56.383 56.400 -0.028 0.000 0.976 1502 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 1502 E HN 0.000 nan 8.360 nan 0.000 0.440