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 3n7k_1_B DATA FIRST_RESID 867 DATA SEQUENCE NINDSKILSL QNRKNTLVDT SGYNAEVSEE GDVQLNPIFP FDFKLGSSGE DATA SEQUENCE DRGKVIVTQN ENIVYNSMYE SFSISFWIRI NKWVSNLPGY TIIDSVKNNS DATA SEQUENCE GWSIGIISNF LVFTLKQNED SEQSINFSYD ISNNAPGYNK WFFVTVTNNM DATA SEQUENCE MGNMKIYING KLIDTIKVKE LTGINFSKTI TFEINKIPDX XXITSDSDNI DATA SEQUENCE NMWIRDFYIF AKELDGKDIN ILFNSLQYTN VVKDYWGNDL RYNKEYYMVN DATA SEQUENCE IDYLNRYMYA NSRQIVFNTR RNNNDFNEGY KIIIKRIRGN TNDTRVRGGD DATA SEQUENCE ILYFDMTINN KAYNLFMKNE TMYADNHSTE DIYAIGLREQ TKDINDNIIF DATA SEQUENCE QIQPMNNTYY YASQIFKSNF NGENISGICS IGTYRFRLGG DWYRHNYLVP DATA SEQUENCE TVKQGNYASL LESTSTHWGF VPVS 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 867 N HA 0.000 nan 4.740 nan 0.000 0.220 867 N C 0.000 175.527 175.510 0.028 0.000 1.280 867 N CA 0.000 53.064 53.050 0.023 0.000 0.885 867 N CB 0.000 38.491 38.487 0.006 0.000 1.341 868 I N -1.458 119.131 120.570 0.031 0.000 4.139 868 I HA 0.354 4.522 4.170 -0.003 0.000 0.335 868 I C 0.609 176.825 176.117 0.166 0.000 1.327 868 I CA 0.295 61.609 61.300 0.023 0.000 1.112 868 I CB -0.968 36.959 38.000 -0.122 0.000 1.058 868 I HN 0.010 nan 8.210 nan 0.000 0.396 869 N N 2.641 121.449 118.700 0.180 0.000 2.550 869 N HA -0.125 4.613 4.740 -0.003 0.000 0.186 869 N C 0.702 176.321 175.510 0.182 0.000 1.110 869 N CA 1.020 54.214 53.050 0.240 0.000 0.912 869 N CB 0.100 38.669 38.487 0.137 0.000 0.968 869 N HN 0.451 nan 8.380 nan 0.000 0.448 870 D N 0.597 121.086 120.400 0.147 0.000 2.117 870 D HA -0.111 4.527 4.640 -0.003 0.000 0.197 870 D C 1.802 178.202 176.300 0.167 0.000 0.987 870 D CA 1.178 55.252 54.000 0.124 0.000 0.829 870 D CB -0.366 40.489 40.800 0.092 0.000 0.961 870 D HN 0.277 nan 8.370 nan 0.000 0.460 871 S N -0.721 115.106 115.700 0.212 0.000 2.631 871 S HA -0.002 4.467 4.470 -0.003 0.000 0.217 871 S C 0.792 175.533 174.600 0.235 0.000 0.958 871 S CA -0.417 57.921 58.200 0.229 0.000 0.920 871 S CB -0.242 63.098 63.200 0.234 0.000 0.776 871 S HN 0.039 nan 8.310 nan 0.000 0.517 872 K N 2.446 122.964 120.400 0.196 0.000 2.315 872 K HA 0.209 4.528 4.320 -0.003 0.000 0.291 872 K C 0.874 177.471 176.600 -0.005 0.000 1.074 872 K CA -0.244 55.961 56.287 -0.137 0.000 0.936 872 K CB 0.062 32.454 32.500 -0.180 0.000 1.049 872 K HN 0.610 nan 8.250 nan 0.000 0.471 873 I N 2.010 122.515 120.570 -0.109 0.000 3.793 873 I HA 0.198 4.366 4.170 -0.003 0.000 0.315 873 I C -0.577 175.519 176.117 -0.036 0.000 1.275 873 I CA -0.298 60.912 61.300 -0.149 0.000 1.214 873 I CB 0.252 38.042 38.000 -0.349 0.000 1.018 873 I HN 0.317 nan 8.210 nan 0.000 0.439 874 L N 0.265 121.462 121.223 -0.044 0.000 2.641 874 L HA 0.520 4.859 4.340 -0.003 0.000 0.261 874 L C -1.321 175.559 176.870 0.016 0.000 0.926 874 L CA -0.213 54.659 54.840 0.054 0.000 0.917 874 L CB 2.129 44.270 42.059 0.136 0.000 1.361 874 L HN -0.024 nan 8.230 nan 0.000 0.417 875 S N 4.776 120.506 115.700 0.050 0.000 2.389 875 S HA 0.491 4.959 4.470 -0.003 0.000 0.201 875 S C -1.257 173.443 174.600 0.166 0.000 1.422 875 S CA -0.423 57.777 58.200 0.001 0.000 1.216 875 S CB 0.243 63.292 63.200 -0.252 0.000 1.130 875 S HN 0.646 nan 8.310 nan 0.000 0.465 876 L N 4.947 126.375 121.223 0.343 0.000 2.361 876 L HA 0.569 4.908 4.340 -0.003 0.000 0.278 876 L C -0.342 176.697 176.870 0.282 0.000 1.113 876 L CA 1.125 56.126 54.840 0.268 0.000 0.849 876 L CB 0.510 42.735 42.059 0.276 0.000 1.155 876 L HN 0.700 nan 8.230 nan 0.000 0.452 877 Q N 3.702 123.602 119.800 0.167 0.000 2.435 877 Q HA 0.287 4.625 4.340 -0.003 0.000 0.282 877 Q C -1.125 174.929 176.000 0.091 0.000 1.020 877 Q CA -0.657 55.251 55.803 0.175 0.000 0.820 877 Q CB 1.743 30.583 28.738 0.170 0.000 1.436 877 Q HN 0.710 nan 8.270 nan 0.000 0.395 878 N N 1.672 120.445 118.700 0.121 0.000 2.439 878 N HA 0.091 4.829 4.740 -0.003 0.000 0.243 878 N C 0.189 175.683 175.510 -0.026 0.000 1.088 878 N CA -0.226 52.869 53.050 0.074 0.000 0.940 878 N CB 0.521 39.119 38.487 0.185 0.000 1.180 878 N HN 0.370 nan 8.380 nan 0.000 0.505 879 R N 2.893 123.364 120.500 -0.049 0.000 2.027 879 R HA 0.005 4.343 4.340 -0.003 0.000 0.191 879 R C 1.729 177.954 176.300 -0.124 0.000 1.221 879 R CA 0.659 56.697 56.100 -0.103 0.000 1.133 879 R CB -1.113 29.150 30.300 -0.062 0.000 0.770 879 R HN 0.559 nan 8.270 nan 0.000 0.515 880 K N 0.359 120.720 120.400 -0.066 0.000 1.997 880 K HA -0.102 4.216 4.320 -0.003 0.000 0.219 880 K C 0.480 177.075 176.600 -0.008 0.000 1.023 880 K CA 1.430 57.692 56.287 -0.042 0.000 1.003 880 K CB -0.232 32.257 32.500 -0.019 0.000 0.842 880 K HN 0.050 nan 8.250 nan 0.000 0.445 881 N N 0.214 118.921 118.700 0.011 0.000 2.571 881 N HA 0.114 4.853 4.740 -0.003 0.000 0.298 881 N C -1.914 173.606 175.510 0.016 0.000 1.671 881 N CA -0.158 52.914 53.050 0.038 0.000 0.900 881 N CB 1.173 39.688 38.487 0.047 0.000 1.365 881 N HN 0.229 nan 8.380 nan 0.000 0.493 882 T N -0.240 114.313 114.554 -0.002 0.000 2.916 882 T HA 0.448 4.796 4.350 -0.003 0.000 0.298 882 T C -1.168 173.510 174.700 -0.036 0.000 1.031 882 T CA -0.553 61.533 62.100 -0.023 0.000 0.993 882 T CB 0.619 69.473 68.868 -0.024 0.000 1.045 882 T HN 0.027 nan 8.240 nan 0.000 0.454 883 L N 5.082 126.261 121.223 -0.073 0.000 2.305 883 L HA 0.779 5.117 4.340 -0.003 0.000 0.281 883 L C -0.070 176.758 176.870 -0.070 0.000 1.085 883 L CA -0.653 54.127 54.840 -0.101 0.000 0.813 883 L CB 1.244 43.160 42.059 -0.238 0.000 1.157 883 L HN 0.584 nan 8.230 nan 0.000 0.436 884 V N -0.889 119.004 119.914 -0.035 0.000 3.178 884 V HA 0.451 4.569 4.120 -0.003 0.000 0.302 884 V C -1.184 174.922 176.094 0.019 0.000 1.262 884 V CA -1.027 61.266 62.300 -0.013 0.000 1.030 884 V CB 2.157 33.973 31.823 -0.011 0.000 1.074 884 V HN 0.619 nan 8.190 nan 0.000 0.438 885 D N 2.208 122.625 120.400 0.029 0.000 2.339 885 D HA 0.394 5.033 4.640 -0.003 0.000 0.241 885 D C 1.135 177.454 176.300 0.032 0.000 1.183 885 D CA 0.580 54.613 54.000 0.055 0.000 0.859 885 D CB 1.583 42.427 40.800 0.074 0.000 1.067 885 D HN 0.984 nan 8.370 nan 0.000 0.484 886 T N -0.236 114.332 114.554 0.022 0.000 3.206 886 T HA 0.032 4.381 4.350 -0.003 0.000 0.253 886 T C 1.464 176.145 174.700 -0.031 0.000 1.042 886 T CA 0.198 62.293 62.100 -0.009 0.000 0.931 886 T CB -0.216 68.644 68.868 -0.013 0.000 1.029 886 T HN 0.239 nan 8.240 nan 0.000 0.564 887 S N 0.462 116.158 115.700 -0.008 0.000 2.478 887 S HA 0.437 4.905 4.470 -0.003 0.000 0.222 887 S C 2.013 176.575 174.600 -0.063 0.000 1.008 887 S CA 0.615 58.812 58.200 -0.004 0.000 0.928 887 S CB -0.419 62.837 63.200 0.094 0.000 0.781 887 S HN 1.077 nan 8.310 nan 0.000 0.518 888 G N -0.034 108.714 108.800 -0.085 0.000 2.231 888 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.206 888 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.206 888 G C 0.428 175.151 174.900 -0.295 0.000 0.996 888 G CA 0.142 45.116 45.100 -0.211 0.000 0.645 888 G HN 0.529 nan 8.290 nan 0.000 0.498 889 Y N 1.326 121.628 120.300 0.003 0.000 2.490 889 Y HA 0.241 4.789 4.550 -0.003 0.000 0.281 889 Y C 1.397 177.306 175.900 0.015 0.000 1.174 889 Y CA 0.252 58.360 58.100 0.013 0.000 1.295 889 Y CB 0.246 38.718 38.460 0.019 0.000 1.062 889 Y HN 0.225 nan 8.280 nan 0.000 0.522 890 N N 0.268 119.024 118.700 0.093 0.000 2.705 890 N HA -0.183 4.556 4.740 -0.003 0.000 0.255 890 N C -0.074 175.483 175.510 0.077 0.000 1.008 890 N CA 0.710 53.797 53.050 0.062 0.000 0.742 890 N CB -1.048 37.457 38.487 0.031 0.000 0.906 890 N HN 0.356 nan 8.380 nan 0.000 0.541 891 A N 0.218 123.097 122.820 0.097 0.000 2.466 891 A HA 0.180 4.498 4.320 -0.003 0.000 0.238 891 A C 0.736 178.349 177.584 0.049 0.000 1.074 891 A CA 0.024 52.110 52.037 0.080 0.000 0.774 891 A CB 0.512 19.569 19.000 0.094 0.000 1.015 891 A HN 0.310 nan 8.150 nan 0.000 0.498 892 E N 0.187 120.408 120.200 0.035 0.000 2.313 892 E HA 0.414 4.762 4.350 -0.003 0.000 0.276 892 E C -1.129 175.475 176.600 0.006 0.000 1.031 892 E CA -0.234 56.175 56.400 0.016 0.000 0.857 892 E CB 1.337 31.042 29.700 0.009 0.000 1.040 892 E HN 0.328 nan 8.360 nan 0.000 0.408 893 V N 2.771 122.678 119.914 -0.013 0.000 2.443 893 V HA 0.241 4.359 4.120 -0.003 0.000 0.293 893 V C -0.223 175.837 176.094 -0.056 0.000 1.021 893 V CA -0.595 61.681 62.300 -0.039 0.000 0.848 893 V CB 1.584 33.371 31.823 -0.061 0.000 0.998 893 V HN 0.715 nan 8.190 nan 0.000 0.424 894 S N 3.720 119.384 115.700 -0.060 0.000 2.536 894 S HA 0.770 5.238 4.470 -0.003 0.000 0.298 894 S C -0.943 173.606 174.600 -0.084 0.000 1.083 894 S CA -0.819 57.344 58.200 -0.061 0.000 0.995 894 S CB 2.202 65.378 63.200 -0.040 0.000 1.058 894 S HN 0.707 nan 8.310 nan 0.000 0.488 895 E N 1.539 121.688 120.200 -0.084 0.000 2.187 895 E HA 0.505 4.854 4.350 -0.003 0.000 0.268 895 E C -1.095 175.471 176.600 -0.057 0.000 0.896 895 E CA -0.705 55.639 56.400 -0.093 0.000 0.766 895 E CB 1.987 31.619 29.700 -0.113 0.000 1.142 895 E HN 0.702 nan 8.360 nan 0.000 0.408 896 E N 1.276 121.448 120.200 -0.047 0.000 2.266 896 E HA 0.540 4.888 4.350 -0.003 0.000 0.268 896 E C 0.091 176.675 176.600 -0.026 0.000 0.879 896 E CA -0.532 55.850 56.400 -0.031 0.000 0.762 896 E CB 2.080 31.765 29.700 -0.026 0.000 1.199 896 E HN 0.710 nan 8.360 nan 0.000 0.422 897 G N 2.824 111.612 108.800 -0.020 0.000 2.553 897 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.242 897 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.242 897 G C -0.579 174.311 174.900 -0.016 0.000 1.277 897 G CA -0.102 44.989 45.100 -0.016 0.000 0.910 897 G HN 0.618 nan 8.290 nan 0.000 0.576 898 D N 0.667 121.058 120.400 -0.015 0.000 2.494 898 D HA 0.472 5.111 4.640 -0.003 0.000 0.217 898 D C 0.158 176.450 176.300 -0.012 0.000 1.153 898 D CA -0.067 53.925 54.000 -0.013 0.000 0.954 898 D CB 0.384 41.175 40.800 -0.016 0.000 1.034 898 D HN 0.472 nan 8.370 nan 0.000 0.518 899 V N 3.774 123.685 119.914 -0.005 0.000 2.370 899 V HA 0.272 4.391 4.120 -0.003 0.000 0.283 899 V C 0.104 176.221 176.094 0.038 0.000 1.023 899 V CA -0.812 61.496 62.300 0.013 0.000 0.857 899 V CB 1.506 33.313 31.823 -0.027 0.000 0.985 899 V HN 0.341 nan 8.190 nan 0.000 0.443 900 Q N 4.236 124.077 119.800 0.068 0.000 2.340 900 Q HA 0.570 4.909 4.340 -0.003 0.000 0.259 900 Q C -0.934 175.163 176.000 0.162 0.000 0.964 900 Q CA -0.009 55.850 55.803 0.093 0.000 0.900 900 Q CB 1.307 30.092 28.738 0.078 0.000 1.228 900 Q HN 0.712 nan 8.270 nan 0.000 0.449 901 L N 2.818 124.130 121.223 0.149 0.000 2.439 901 L HA 0.459 4.797 4.340 -0.003 0.000 0.259 901 L C 0.192 177.184 176.870 0.203 0.000 1.129 901 L CA -0.567 54.389 54.840 0.193 0.000 0.803 901 L CB 1.163 43.308 42.059 0.143 0.000 1.161 901 L HN 0.665 nan 8.230 nan 0.000 0.462 902 N N 1.519 120.364 118.700 0.242 0.000 2.443 902 N HA 0.279 5.017 4.740 -0.003 0.000 0.269 902 N C -1.931 173.746 175.510 0.278 0.000 0.985 902 N CA -1.580 51.596 53.050 0.211 0.000 0.921 902 N CB 1.949 40.533 38.487 0.161 0.000 1.195 902 N HN 0.322 nan 8.380 nan 0.000 0.492 903 P HA -0.026 nan 4.420 nan 0.000 0.223 903 P C 0.088 177.602 177.300 0.358 0.000 1.151 903 P CA 0.886 64.149 63.100 0.272 0.000 0.787 903 P CB 0.795 32.593 31.700 0.162 0.000 0.788 904 I N -1.458 119.180 120.570 0.113 0.000 2.822 904 I HA 0.267 4.436 4.170 -0.003 0.000 0.312 904 I C 0.634 176.228 176.117 -0.871 0.000 1.011 904 I CA -1.541 59.687 61.300 -0.120 0.000 1.105 904 I CB 0.991 38.948 38.000 -0.071 0.000 1.291 904 I HN -0.228 nan 8.210 nan 0.000 0.474 905 F N 5.747 124.938 119.950 -1.265 0.000 2.553 905 F HA 0.187 4.713 4.527 -0.003 0.000 0.356 905 F C -1.337 174.047 175.800 -0.694 0.000 1.142 905 F CA -1.514 55.639 58.000 -1.413 0.000 1.322 905 F CB 0.464 39.081 39.000 -0.638 0.000 1.126 905 F HN 0.272 nan 8.300 nan 0.000 0.599 906 P HA -0.019 nan 4.420 nan 0.000 0.242 906 P C -0.050 176.791 177.300 -0.765 0.000 1.197 906 P CA 0.647 62.713 63.100 -1.724 0.000 0.765 906 P CB -0.432 30.389 31.700 -1.464 0.000 0.936 907 F N -0.771 119.062 119.950 -0.195 0.000 2.965 907 F HA -0.251 4.275 4.527 -0.003 0.000 0.287 907 F C 0.453 176.301 175.800 0.080 0.000 0.790 907 F CA 0.338 58.332 58.000 -0.011 0.000 1.279 907 F CB -2.777 36.227 39.000 0.007 0.000 1.409 907 F HN 0.141 nan 8.300 nan 0.000 0.446 908 D N 1.296 121.798 120.400 0.170 0.000 2.354 908 D HA 0.414 5.052 4.640 -0.003 0.000 0.238 908 D C 0.065 176.582 176.300 0.363 0.000 1.250 908 D CA -0.080 54.087 54.000 0.279 0.000 0.911 908 D CB 0.476 41.530 40.800 0.424 0.000 1.163 908 D HN 0.202 nan 8.370 nan 0.000 0.456 909 F N -2.944 117.136 119.950 0.218 0.000 2.563 909 F HA 0.589 5.115 4.527 -0.003 0.000 0.316 909 F C -0.492 175.326 175.800 0.031 0.000 1.076 909 F CA -1.463 56.599 58.000 0.103 0.000 0.921 909 F CB 1.641 40.643 39.000 0.003 0.000 1.209 909 F HN 0.332 nan 8.300 nan 0.000 0.462 910 K N 3.189 123.639 120.400 0.083 0.000 2.345 910 K HA 0.691 5.010 4.320 -0.003 0.000 0.255 910 K C -2.053 174.429 176.600 -0.197 0.000 0.934 910 K CA -0.621 55.484 56.287 -0.304 0.000 0.801 910 K CB 1.570 33.780 32.500 -0.483 0.000 1.137 910 K HN 0.781 nan 8.250 nan 0.000 0.424 911 L N 1.762 122.809 121.223 -0.293 0.000 2.303 911 L HA 0.713 5.052 4.340 -0.003 0.000 0.266 911 L C 0.276 176.980 176.870 -0.276 0.000 1.011 911 L CA -0.362 54.369 54.840 -0.182 0.000 0.818 911 L CB 2.111 44.128 42.059 -0.069 0.000 1.326 911 L HN 0.834 nan 8.230 nan 0.000 0.435 912 G N -1.339 107.347 108.800 -0.189 0.000 2.642 912 G HA2 0.487 4.446 3.960 -0.003 0.000 0.293 912 G HA3 0.487 4.446 3.960 -0.003 0.000 0.293 912 G C -0.104 174.703 174.900 -0.155 0.000 1.341 912 G CA 0.138 45.120 45.100 -0.197 0.000 0.916 912 G HN 0.582 nan 8.290 nan 0.000 0.474 913 S N -0.694 114.904 115.700 -0.169 0.000 2.575 913 S HA 0.044 4.512 4.470 -0.003 0.000 0.215 913 S C 2.116 176.688 174.600 -0.047 0.000 0.966 913 S CA 0.991 59.114 58.200 -0.129 0.000 0.911 913 S CB 0.315 63.391 63.200 -0.207 0.000 0.780 913 S HN 0.605 nan 8.310 nan 0.000 0.514 914 S N 1.697 117.366 115.700 -0.052 0.000 2.432 914 S HA -0.167 4.302 4.470 -0.003 0.000 0.243 914 S C 1.996 176.592 174.600 -0.006 0.000 1.069 914 S CA 2.138 60.324 58.200 -0.024 0.000 1.047 914 S CB -1.238 61.944 63.200 -0.030 0.000 0.854 914 S HN 1.463 nan 8.310 nan 0.000 0.474 915 G N -0.051 108.745 108.800 -0.008 0.000 2.353 915 G HA2 -0.412 3.546 3.960 -0.003 0.000 0.258 915 G HA3 -0.412 3.546 3.960 -0.003 0.000 0.258 915 G C 0.579 175.479 174.900 0.000 0.000 1.013 915 G CA 1.300 46.403 45.100 0.004 0.000 0.622 915 G HN 0.609 nan 8.290 nan 0.000 0.535 916 E N 1.225 121.423 120.200 -0.003 0.000 1.957 916 E HA -0.030 4.319 4.350 -0.003 0.000 0.214 916 E C 1.829 178.426 176.600 -0.005 0.000 0.922 916 E CA 1.785 58.184 56.400 -0.002 0.000 0.977 916 E CB -0.250 29.449 29.700 -0.002 0.000 0.841 916 E HN 0.445 nan 8.360 nan 0.000 0.583 917 D N 0.020 120.415 120.400 -0.007 0.000 2.339 917 D HA 0.005 4.643 4.640 -0.003 0.000 0.217 917 D C 0.011 176.303 176.300 -0.013 0.000 1.050 917 D CA -0.076 53.919 54.000 -0.009 0.000 0.856 917 D CB -0.349 40.447 40.800 -0.007 0.000 0.922 917 D HN 0.126 nan 8.370 nan 0.000 0.518 918 R N 1.721 122.211 120.500 -0.017 0.000 3.868 918 R HA -0.130 4.209 4.340 -0.003 0.000 0.119 918 R C 0.572 176.859 176.300 -0.022 0.000 0.538 918 R CA 0.484 56.569 56.100 -0.024 0.000 0.781 918 R CB -0.189 30.099 30.300 -0.020 0.000 1.123 918 R HN 0.111 nan 8.270 nan 0.000 0.240 919 G N 3.610 112.394 108.800 -0.026 0.000 2.594 919 G HA2 0.208 4.167 3.960 -0.003 0.000 0.243 919 G HA3 0.208 4.167 3.960 -0.003 0.000 0.243 919 G C -0.686 174.211 174.900 -0.005 0.000 1.229 919 G CA -0.323 44.767 45.100 -0.017 0.000 0.843 919 G HN 0.620 nan 8.290 nan 0.000 0.578 920 K N -0.504 119.892 120.400 -0.006 0.000 2.546 920 K HA 0.520 4.839 4.320 -0.003 0.000 0.264 920 K C -1.871 174.719 176.600 -0.017 0.000 0.937 920 K CA -0.678 55.612 56.287 0.007 0.000 0.833 920 K CB 2.563 35.059 32.500 -0.007 0.000 1.378 920 K HN 0.322 nan 8.250 nan 0.000 0.432 921 V N 4.920 124.846 119.914 0.019 0.000 2.488 921 V HA 0.420 4.538 4.120 -0.003 0.000 0.293 921 V C -0.651 175.484 176.094 0.068 0.000 1.027 921 V CA -0.730 61.543 62.300 -0.045 0.000 0.862 921 V CB 1.457 33.125 31.823 -0.259 0.000 1.008 921 V HN 0.616 nan 8.190 nan 0.000 0.428 922 I N 4.876 125.450 120.570 0.006 0.000 2.321 922 I HA 0.492 4.660 4.170 -0.003 0.000 0.291 922 I C -0.389 175.737 176.117 0.014 0.000 0.998 922 I CA -0.864 60.442 61.300 0.010 0.000 1.227 922 I CB 1.846 39.833 38.000 -0.021 0.000 1.368 922 I HN 0.254 nan 8.210 nan 0.000 0.466 923 V N 5.223 125.161 119.914 0.039 0.000 2.311 923 V HA 0.262 4.380 4.120 -0.003 0.000 0.275 923 V C 0.088 176.197 176.094 0.025 0.000 1.022 923 V CA -0.365 61.965 62.300 0.049 0.000 0.830 923 V CB 1.167 33.059 31.823 0.116 0.000 1.012 923 V HN 0.746 nan 8.190 nan 0.000 0.452 924 T N 5.728 120.294 114.554 0.020 0.000 2.853 924 T HA 0.387 4.736 4.350 -0.003 0.000 0.317 924 T C 0.076 174.796 174.700 0.034 0.000 1.059 924 T CA -0.409 61.700 62.100 0.016 0.000 0.954 924 T CB 0.554 69.425 68.868 0.006 0.000 0.994 924 T HN 0.675 nan 8.240 nan 0.000 0.479 925 Q N 2.071 121.897 119.800 0.044 0.000 2.407 925 Q HA 0.236 4.574 4.340 -0.003 0.000 0.214 925 Q C 0.618 176.649 176.000 0.051 0.000 1.043 925 Q CA -0.697 55.138 55.803 0.055 0.000 0.983 925 Q CB 0.802 29.570 28.738 0.050 0.000 1.211 925 Q HN 0.633 nan 8.270 nan 0.000 0.564 926 N N 1.196 119.932 118.700 0.060 0.000 2.401 926 N HA -0.056 4.682 4.740 -0.003 0.000 0.255 926 N C 0.790 176.335 175.510 0.058 0.000 1.110 926 N CA -0.193 52.895 53.050 0.063 0.000 0.949 926 N CB 0.685 39.228 38.487 0.092 0.000 1.110 926 N HN 0.660 nan 8.380 nan 0.000 0.490 927 E N 4.492 124.727 120.200 0.057 0.000 2.119 927 E HA -0.411 3.938 4.350 -0.003 0.000 0.221 927 E C 0.626 177.292 176.600 0.110 0.000 1.062 927 E CA 1.668 58.112 56.400 0.074 0.000 0.894 927 E CB -0.766 28.960 29.700 0.044 0.000 0.785 927 E HN 0.677 nan 8.360 nan 0.000 0.472 928 N N 1.540 120.296 118.700 0.093 0.000 2.073 928 N HA -0.214 4.525 4.740 -0.003 0.000 0.199 928 N C 2.285 177.891 175.510 0.161 0.000 1.023 928 N CA 2.170 55.302 53.050 0.138 0.000 0.880 928 N CB -0.620 37.931 38.487 0.108 0.000 1.052 928 N HN 0.383 nan 8.380 nan 0.000 0.449 929 I N 0.949 121.556 120.570 0.061 0.000 2.163 929 I HA -0.238 3.930 4.170 -0.003 0.000 0.243 929 I C 2.330 178.430 176.117 -0.027 0.000 1.085 929 I CA 0.880 62.140 61.300 -0.066 0.000 1.347 929 I CB -0.625 37.212 38.000 -0.272 0.000 1.044 929 I HN -0.089 nan 8.210 nan 0.000 0.408 930 V N 0.509 120.441 119.914 0.029 0.000 2.220 930 V HA -0.357 3.762 4.120 -0.003 0.000 0.246 930 V C 2.368 178.545 176.094 0.139 0.000 1.049 930 V CA 2.345 64.664 62.300 0.032 0.000 1.003 930 V CB -1.066 30.813 31.823 0.092 0.000 0.634 930 V HN 0.370 nan 8.190 nan 0.000 0.444 931 Y N 2.422 122.838 120.300 0.193 0.000 2.030 931 Y HA -0.354 4.194 4.550 -0.002 0.000 0.272 931 Y C 2.314 178.418 175.900 0.340 0.000 1.185 931 Y CA 2.469 60.813 58.100 0.406 0.000 1.120 931 Y CB -0.840 37.774 38.460 0.255 0.000 0.955 931 Y HN 0.405 nan 8.280 nan 0.000 0.495 932 N N -0.806 117.992 118.700 0.163 0.000 2.573 932 N HA -0.093 4.645 4.740 -0.003 0.000 0.187 932 N C 1.375 176.898 175.510 0.023 0.000 1.107 932 N CA 1.208 54.272 53.050 0.023 0.000 0.918 932 N CB 0.005 38.542 38.487 0.083 0.000 0.966 932 N HN 0.274 nan 8.380 nan 0.000 0.448 933 S N -0.501 115.214 115.700 0.025 0.000 2.811 933 S HA 0.173 4.641 4.470 -0.003 0.000 0.237 933 S C 1.625 176.226 174.600 0.002 0.000 1.038 933 S CA 0.019 58.219 58.200 0.001 0.000 0.881 933 S CB 0.112 63.281 63.200 -0.052 0.000 0.815 933 S HN 0.063 nan 8.310 nan 0.000 0.582 934 M N 1.262 120.759 119.600 -0.173 0.000 2.080 934 M HA -0.054 4.424 4.480 -0.003 0.000 0.260 934 M C 1.758 177.936 176.300 -0.204 0.000 1.068 934 M CA 1.661 56.696 55.300 -0.442 0.000 1.109 934 M CB -1.593 30.271 32.600 -1.226 0.000 1.342 934 M HN 0.322 nan 8.290 nan 0.000 0.405 935 Y N 0.671 121.068 120.300 0.162 0.000 2.569 935 Y HA -0.139 4.409 4.550 -0.003 0.000 0.293 935 Y C 2.190 178.193 175.900 0.173 0.000 1.144 935 Y CA 0.770 59.033 58.100 0.271 0.000 1.321 935 Y CB -0.581 37.969 38.460 0.150 0.000 0.982 935 Y HN 0.419 nan 8.280 nan 0.000 0.558 936 E N -1.183 119.133 120.200 0.192 0.000 2.225 936 E HA 0.216 4.564 4.350 -0.003 0.000 0.202 936 E C 0.056 176.676 176.600 0.033 0.000 0.987 936 E CA 0.273 56.738 56.400 0.109 0.000 1.010 936 E CB 0.148 29.890 29.700 0.069 0.000 1.464 936 E HN -0.070 nan 8.360 nan 0.000 0.508 937 S N 0.141 115.840 115.700 -0.003 0.000 2.548 937 S HA 0.566 5.034 4.470 -0.003 0.000 0.276 937 S C -1.318 173.237 174.600 -0.074 0.000 1.129 937 S CA -0.761 57.356 58.200 -0.139 0.000 0.931 937 S CB 1.101 64.242 63.200 -0.097 0.000 1.068 937 S HN 0.320 nan 8.310 nan 0.000 0.480 938 F N -0.742 119.146 119.950 -0.102 0.000 2.745 938 F HA 0.905 5.431 4.527 -0.002 0.000 0.316 938 F C -0.811 174.913 175.800 -0.126 0.000 1.155 938 F CA -0.925 57.006 58.000 -0.115 0.000 0.937 938 F CB 0.946 39.824 39.000 -0.204 0.000 1.361 938 F HN 0.361 nan 8.300 nan 0.000 0.472 939 S N 0.951 116.791 115.700 0.233 0.000 2.540 939 S HA 0.799 5.267 4.470 -0.003 0.000 0.275 939 S C -1.248 173.412 174.600 0.099 0.000 1.123 939 S CA -0.604 57.647 58.200 0.086 0.000 0.907 939 S CB 1.848 65.082 63.200 0.056 0.000 1.081 939 S HN 0.627 nan 8.310 nan 0.000 0.476 940 I N 2.411 122.911 120.570 -0.118 0.000 2.509 940 I HA 0.646 4.814 4.170 -0.003 0.000 0.293 940 I C -0.235 175.676 176.117 -0.343 0.000 1.020 940 I CA -0.307 60.825 61.300 -0.280 0.000 1.088 940 I CB 2.135 39.887 38.000 -0.413 0.000 1.267 940 I HN 0.755 nan 8.210 nan 0.000 0.430 941 S N 5.210 120.665 115.700 -0.409 0.000 2.579 941 S HA 0.925 5.393 4.470 -0.003 0.000 0.272 941 S C -0.884 173.388 174.600 -0.546 0.000 1.141 941 S CA -0.692 57.116 58.200 -0.653 0.000 0.843 941 S CB 2.396 65.310 63.200 -0.476 0.000 1.122 941 S HN 0.703 nan 8.310 nan 0.000 0.468 942 F N -3.102 116.398 119.950 -0.750 0.000 3.032 942 F HA 0.717 5.242 4.527 -0.002 0.000 0.331 942 F C -2.497 173.095 175.800 -0.347 0.000 1.125 942 F CA -1.760 56.047 58.000 -0.321 0.000 0.873 942 F CB 0.023 39.065 39.000 0.071 0.000 1.374 942 F HN 0.683 nan 8.300 nan 0.000 0.452 943 W N 2.559 124.081 121.300 0.370 0.000 2.512 943 W HA 0.817 5.476 4.660 -0.002 0.000 0.335 943 W C -0.555 176.343 176.519 0.632 0.000 1.088 943 W CA -0.711 56.896 57.345 0.437 0.000 1.236 943 W CB 1.784 31.456 29.460 0.353 0.000 1.307 943 W HN 0.722 nan 8.180 nan 0.000 0.567 944 I N 2.010 122.949 120.570 0.615 0.000 3.006 944 I HA 0.598 4.767 4.170 -0.003 0.000 0.306 944 I C -1.169 174.861 176.117 -0.146 0.000 1.250 944 I CA -1.193 60.221 61.300 0.191 0.000 0.996 944 I CB 2.170 40.206 38.000 0.060 0.000 1.261 944 I HN 0.497 nan 8.210 nan 0.000 0.442 945 R N 5.665 126.008 120.500 -0.262 0.000 2.663 945 R HA 0.659 4.997 4.340 -0.003 0.000 0.267 945 R C -2.251 174.121 176.300 0.120 0.000 1.038 945 R CA -0.590 55.391 56.100 -0.199 0.000 0.886 945 R CB 2.068 31.761 30.300 -1.011 0.000 1.249 945 R HN 0.612 nan 8.270 nan 0.000 0.463 946 I N 2.825 123.532 120.570 0.229 0.000 2.534 946 I HA 0.147 4.315 4.170 -0.003 0.000 0.288 946 I C 0.885 177.141 176.117 0.231 0.000 1.077 946 I CA -0.778 60.632 61.300 0.184 0.000 1.051 946 I CB 2.055 40.098 38.000 0.071 0.000 1.234 946 I HN 0.779 nan 8.210 nan 0.000 0.425 947 N N 4.412 123.235 118.700 0.206 0.000 2.096 947 N HA -0.279 4.460 4.740 -0.003 0.000 0.198 947 N C 0.529 176.094 175.510 0.092 0.000 1.017 947 N CA 2.059 55.211 53.050 0.169 0.000 0.889 947 N CB 0.118 38.627 38.487 0.037 0.000 1.081 947 N HN 0.558 nan 8.380 nan 0.000 0.549 948 K N -0.879 119.591 120.400 0.116 0.000 2.701 948 K HA 0.119 4.437 4.320 -0.003 0.000 0.212 948 K C -1.734 175.029 176.600 0.273 0.000 1.035 948 K CA -0.495 55.875 56.287 0.138 0.000 1.048 948 K CB 0.053 32.618 32.500 0.109 0.000 1.234 948 K HN 0.291 nan 8.250 nan 0.000 0.540 949 W N 6.739 128.091 121.300 0.086 0.000 1.606 949 W HA 0.153 4.811 4.660 -0.003 0.000 0.455 949 W C -0.204 176.437 176.519 0.203 0.000 0.711 949 W CA -1.147 56.295 57.345 0.162 0.000 1.876 949 W CB -0.608 28.963 29.460 0.186 0.000 1.776 949 W HN 0.205 nan 8.180 nan 0.000 0.229 950 V N 2.297 122.444 119.914 0.387 0.000 2.811 950 V HA 0.167 4.285 4.120 -0.003 0.000 0.302 950 V C 1.456 177.693 176.094 0.239 0.000 1.063 950 V CA 0.512 62.964 62.300 0.253 0.000 1.088 950 V CB 0.978 32.914 31.823 0.189 0.000 0.982 950 V HN 0.425 nan 8.190 nan 0.000 0.485 951 S N 2.725 118.504 115.700 0.132 0.000 2.383 951 S HA -0.234 4.234 4.470 -0.003 0.000 0.229 951 S C 1.193 175.787 174.600 -0.010 0.000 1.030 951 S CA 1.541 59.702 58.200 -0.066 0.000 1.002 951 S CB -1.099 62.015 63.200 -0.144 0.000 0.829 951 S HN 1.157 nan 8.310 nan 0.000 0.467 952 N N 1.191 119.924 118.700 0.055 0.000 2.362 952 N HA 0.253 4.992 4.740 -0.003 0.000 0.211 952 N C -0.087 175.494 175.510 0.119 0.000 1.170 952 N CA -0.390 52.700 53.050 0.067 0.000 0.828 952 N CB -0.440 38.077 38.487 0.050 0.000 1.034 952 N HN 0.419 nan 8.380 nan 0.000 0.475 953 L N 1.415 122.755 121.223 0.195 0.000 2.490 953 L HA 0.306 4.645 4.340 -0.003 0.000 0.274 953 L C -2.318 174.664 176.870 0.187 0.000 1.201 953 L CA -1.672 53.323 54.840 0.258 0.000 0.869 953 L CB 0.070 42.391 42.059 0.437 0.000 1.123 953 L HN 0.154 nan 8.230 nan 0.000 0.484 954 P HA 0.203 nan 4.420 nan 0.000 0.276 954 P C -0.466 176.744 177.300 -0.150 0.000 1.261 954 P CA -0.507 62.554 63.100 -0.066 0.000 0.800 954 P CB 0.504 32.094 31.700 -0.183 0.000 1.066 955 G N 0.189 108.884 108.800 -0.177 0.000 2.432 955 G HA2 0.326 4.285 3.960 -0.003 0.000 0.239 955 G HA3 0.326 4.285 3.960 -0.003 0.000 0.239 955 G C -1.403 173.319 174.900 -0.296 0.000 1.291 955 G CA 0.214 45.241 45.100 -0.122 0.000 0.863 955 G HN 0.385 nan 8.290 nan 0.000 0.560 956 Y N -0.718 119.608 120.300 0.043 0.000 2.442 956 Y HA 0.314 4.863 4.550 -0.003 0.000 0.330 956 Y C 0.350 176.260 175.900 0.016 0.000 1.100 956 Y CA -0.772 57.340 58.100 0.020 0.000 1.034 956 Y CB 2.089 40.555 38.460 0.009 0.000 1.285 956 Y HN 0.539 nan 8.280 nan 0.000 0.440 957 T N 4.803 119.465 114.554 0.179 0.000 2.806 957 T HA 0.398 4.746 4.350 -0.003 0.000 0.290 957 T C 1.213 175.951 174.700 0.063 0.000 0.966 957 T CA -0.292 61.863 62.100 0.091 0.000 1.060 957 T CB 0.377 69.265 68.868 0.034 0.000 0.927 957 T HN 0.674 nan 8.240 nan 0.000 0.485 958 I N 0.582 121.175 120.570 0.039 0.000 3.132 958 I HA 0.476 4.644 4.170 -0.003 0.000 0.255 958 I C -0.256 175.819 176.117 -0.070 0.000 1.118 958 I CA 0.091 61.387 61.300 -0.006 0.000 1.463 958 I CB 0.248 38.248 38.000 -0.001 0.000 1.356 958 I HN 0.299 nan 8.210 nan 0.000 0.463 959 I N 1.837 122.349 120.570 -0.096 0.000 2.406 959 I HA 0.434 4.603 4.170 -0.003 0.000 0.290 959 I C -1.256 174.720 176.117 -0.234 0.000 0.999 959 I CA -0.035 61.069 61.300 -0.328 0.000 1.124 959 I CB 1.496 39.285 38.000 -0.351 0.000 1.289 959 I HN 0.173 nan 8.210 nan 0.000 0.441 960 D N 2.997 123.157 120.400 -0.399 0.000 2.757 960 D HA 0.517 5.156 4.640 -0.003 0.000 0.249 960 D C -0.696 175.220 176.300 -0.640 0.000 1.168 960 D CA -0.291 53.458 54.000 -0.418 0.000 0.870 960 D CB 1.584 42.234 40.800 -0.249 0.000 1.411 960 D HN 0.310 nan 8.370 nan 0.000 0.525 961 S N 3.475 118.608 115.700 -0.944 0.000 2.474 961 S HA 0.353 4.821 4.470 -0.003 0.000 0.224 961 S C -1.417 172.801 174.600 -0.637 0.000 1.209 961 S CA -0.477 57.149 58.200 -0.957 0.000 1.212 961 S CB -0.010 62.210 63.200 -1.633 0.000 1.137 961 S HN 0.270 nan 8.310 nan 0.000 0.446 962 V N 3.189 122.874 119.914 -0.382 0.000 2.409 962 V HA 0.483 4.602 4.120 -0.003 0.000 0.291 962 V C 0.665 176.662 176.094 -0.161 0.000 1.020 962 V CA -0.629 61.535 62.300 -0.226 0.000 0.848 962 V CB 1.770 33.491 31.823 -0.170 0.000 0.990 962 V HN 0.437 nan 8.190 nan 0.000 0.430 963 K N 4.868 125.198 120.400 -0.117 0.000 2.118 963 K HA 0.178 4.497 4.320 -0.003 0.000 0.214 963 K C 1.386 177.947 176.600 -0.066 0.000 1.023 963 K CA 1.243 57.481 56.287 -0.083 0.000 0.948 963 K CB -0.228 32.239 32.500 -0.055 0.000 0.851 963 K HN 0.564 nan 8.250 nan 0.000 0.455 964 N N 0.498 119.165 118.700 -0.054 0.000 2.187 964 N HA -0.004 4.734 4.740 -0.003 0.000 0.191 964 N C 0.404 175.883 175.510 -0.052 0.000 1.057 964 N CA 1.254 54.277 53.050 -0.046 0.000 0.913 964 N CB -0.216 38.249 38.487 -0.036 0.000 1.089 964 N HN 0.224 nan 8.380 nan 0.000 0.472 965 N N -0.915 117.754 118.700 -0.053 0.000 2.307 965 N HA 0.130 4.868 4.740 -0.003 0.000 0.248 965 N C -1.115 174.357 175.510 -0.064 0.000 1.322 965 N CA 0.060 53.078 53.050 -0.054 0.000 0.861 965 N CB 1.253 39.715 38.487 -0.042 0.000 1.303 965 N HN 0.038 nan 8.380 nan 0.000 0.498 966 S N -0.993 114.660 115.700 -0.078 0.000 2.599 966 S HA 0.869 5.338 4.470 -0.003 0.000 0.294 966 S C 0.291 174.812 174.600 -0.132 0.000 1.094 966 S CA 0.245 58.380 58.200 -0.108 0.000 0.931 966 S CB 1.745 64.876 63.200 -0.115 0.000 1.093 966 S HN 0.474 nan 8.310 nan 0.000 0.488 967 G N 2.194 110.895 108.800 -0.166 0.000 2.217 967 G HA2 0.087 4.046 3.960 -0.003 0.000 0.173 967 G HA3 0.087 4.046 3.960 -0.003 0.000 0.173 967 G C -1.484 173.516 174.900 0.167 0.000 1.324 967 G CA -0.090 44.973 45.100 -0.061 0.000 1.225 967 G HN 1.306 nan 8.290 nan 0.000 0.494 968 W N -0.366 120.998 121.300 0.106 0.000 3.137 968 W HA 0.825 5.483 4.660 -0.002 0.000 0.324 968 W C -0.631 175.883 176.519 -0.009 0.000 1.253 968 W CA -0.453 56.908 57.345 0.027 0.000 1.183 968 W CB 1.124 30.703 29.460 0.199 0.000 1.424 968 W HN 1.473 nan 8.180 nan 0.000 0.566 969 S N 1.107 116.951 115.700 0.240 0.000 2.579 969 S HA 0.776 5.244 4.470 -0.003 0.000 0.272 969 S C -1.795 172.995 174.600 0.317 0.000 1.141 969 S CA -0.705 57.588 58.200 0.154 0.000 0.843 969 S CB 1.636 64.825 63.200 -0.018 0.000 1.122 969 S HN 0.457 nan 8.310 nan 0.000 0.468 970 I N 2.890 123.654 120.570 0.323 0.000 2.468 970 I HA 0.547 4.715 4.170 -0.003 0.000 0.284 970 I C 0.498 176.746 176.117 0.218 0.000 1.038 970 I CA -0.501 61.014 61.300 0.357 0.000 1.083 970 I CB 1.576 39.877 38.000 0.502 0.000 1.223 970 I HN 0.751 nan 8.210 nan 0.000 0.443 971 G N 6.542 115.461 108.800 0.198 0.000 2.788 971 G HA2 0.896 4.855 3.960 -0.003 0.000 0.293 971 G HA3 0.896 4.855 3.960 -0.003 0.000 0.293 971 G C -1.015 173.997 174.900 0.186 0.000 1.305 971 G CA -0.668 44.528 45.100 0.161 0.000 1.005 971 G HN 0.596 nan 8.290 nan 0.000 0.496 972 I N -1.278 119.398 120.570 0.177 0.000 2.534 972 I HA 0.571 4.740 4.170 -0.003 0.000 0.286 972 I C -0.311 175.959 176.117 0.256 0.000 1.094 972 I CA -0.845 60.574 61.300 0.198 0.000 1.055 972 I CB 1.923 39.922 38.000 -0.001 0.000 1.225 972 I HN 0.517 nan 8.210 nan 0.000 0.435 973 I N 3.888 124.643 120.570 0.309 0.000 5.826 973 I HA 0.346 4.515 4.170 -0.003 0.000 0.231 973 I C 1.527 177.853 176.117 0.349 0.000 0.892 973 I CA 0.741 62.194 61.300 0.256 0.000 1.799 973 I CB 0.889 38.997 38.000 0.179 0.000 1.433 973 I HN 0.715 nan 8.210 nan 0.000 0.466 974 S N 0.883 116.821 115.700 0.398 0.000 2.163 974 S HA -0.039 4.429 4.470 -0.003 0.000 0.151 974 S C 0.959 175.729 174.600 0.283 0.000 1.382 974 S CA 0.771 59.150 58.200 0.298 0.000 2.383 974 S CB -0.723 62.617 63.200 0.233 0.000 0.325 974 S HN 0.657 nan 8.310 nan 0.000 0.349 975 N N 0.463 119.006 118.700 -0.263 0.000 2.375 975 N HA 0.171 4.909 4.740 -0.003 0.000 0.220 975 N C -0.979 174.129 175.510 -0.671 0.000 1.170 975 N CA -0.082 52.484 53.050 -0.807 0.000 0.833 975 N CB -0.223 37.177 38.487 -1.812 0.000 1.069 975 N HN 0.152 nan 8.380 nan 0.000 0.479 976 F N 0.639 120.734 119.950 0.241 0.000 2.507 976 F HA 0.497 5.022 4.527 -0.003 0.000 0.327 976 F C -0.149 175.939 175.800 0.480 0.000 1.068 976 F CA -1.252 56.899 58.000 0.253 0.000 0.965 976 F CB 1.733 40.791 39.000 0.096 0.000 1.192 976 F HN -0.095 nan 8.300 nan 0.000 0.476 977 L N 3.918 125.505 121.223 0.608 0.000 2.372 977 L HA 0.800 5.138 4.340 -0.003 0.000 0.274 977 L C -1.560 175.579 176.870 0.449 0.000 0.988 977 L CA -0.713 54.411 54.840 0.474 0.000 0.833 977 L CB 1.441 43.845 42.059 0.576 0.000 1.236 977 L HN 0.573 nan 8.230 nan 0.000 0.410 978 V N 4.863 124.991 119.914 0.357 0.000 2.680 978 V HA 0.578 4.696 4.120 -0.003 0.000 0.309 978 V C -1.522 174.778 176.094 0.342 0.000 1.052 978 V CA -0.523 61.964 62.300 0.312 0.000 0.908 978 V CB 1.967 33.905 31.823 0.192 0.000 1.001 978 V HN 0.670 nan 8.190 nan 0.000 0.431 979 F N 4.717 124.795 119.950 0.213 0.000 2.427 979 F HA 0.780 5.306 4.527 -0.003 0.000 0.346 979 F C -0.033 175.888 175.800 0.201 0.000 1.120 979 F CA 0.041 58.176 58.000 0.224 0.000 1.033 979 F CB 1.715 40.826 39.000 0.184 0.000 1.126 979 F HN 0.627 nan 8.300 nan 0.000 0.462 980 T N 7.365 121.577 114.554 -0.569 0.000 2.824 980 T HA 0.451 4.799 4.350 -0.003 0.000 0.282 980 T C -1.153 173.249 174.700 -0.497 0.000 0.993 980 T CA -0.551 61.306 62.100 -0.406 0.000 0.967 980 T CB 1.564 70.352 68.868 -0.133 0.000 0.960 980 T HN 0.387 nan 8.240 nan 0.000 0.441 981 L N 3.276 124.348 121.223 -0.253 0.000 2.264 981 L HA 0.473 4.812 4.340 -0.003 0.000 0.289 981 L C 0.170 177.039 176.870 -0.001 0.000 1.044 981 L CA -0.168 54.664 54.840 -0.013 0.000 0.807 981 L CB 0.930 43.066 42.059 0.127 0.000 1.192 981 L HN 0.503 nan 8.230 nan 0.000 0.425 982 K N 3.663 124.067 120.400 0.006 0.000 2.389 982 K HA 0.204 4.522 4.320 -0.003 0.000 0.261 982 K C 0.597 177.165 176.600 -0.052 0.000 1.014 982 K CA -0.256 56.014 56.287 -0.030 0.000 0.920 982 K CB 1.100 33.574 32.500 -0.044 0.000 1.149 982 K HN 0.753 nan 8.250 nan 0.000 0.444 983 Q N 3.219 122.998 119.800 -0.036 0.000 1.990 983 Q HA -0.161 4.178 4.340 -0.003 0.000 0.200 983 Q C -0.162 175.811 176.000 -0.045 0.000 0.980 983 Q CA 1.986 57.764 55.803 -0.041 0.000 0.832 983 Q CB 0.188 28.919 28.738 -0.013 0.000 0.897 983 Q HN 0.774 nan 8.270 nan 0.000 0.427 984 N N -2.073 116.607 118.700 -0.034 0.000 3.278 984 N HA 0.031 4.769 4.740 -0.003 0.000 0.307 984 N C -0.464 175.027 175.510 -0.031 0.000 1.551 984 N CA -0.152 52.880 53.050 -0.032 0.000 0.794 984 N CB 0.164 38.638 38.487 -0.022 0.000 1.770 984 N HN 0.173 nan 8.380 nan 0.000 0.612 985 E N -1.696 118.488 120.200 -0.028 0.000 2.482 985 E HA -0.010 4.338 4.350 -0.003 0.000 0.196 985 E C -0.456 176.130 176.600 -0.024 0.000 1.047 985 E CA 0.827 57.210 56.400 -0.027 0.000 0.869 985 E CB -0.221 29.463 29.700 -0.026 0.000 0.836 985 E HN 0.460 nan 8.360 nan 0.000 0.520 986 D N 0.080 120.467 120.400 -0.021 0.000 2.503 986 D HA 0.161 4.800 4.640 -0.003 0.000 0.218 986 D C -0.607 175.683 176.300 -0.016 0.000 1.183 986 D CA 0.082 54.072 54.000 -0.018 0.000 0.827 986 D CB 1.220 42.011 40.800 -0.015 0.000 1.034 986 D HN 0.038 nan 8.370 nan 0.000 0.510 987 S N 0.170 115.860 115.700 -0.017 0.000 2.569 987 S HA 0.621 5.089 4.470 -0.003 0.000 0.280 987 S C -1.396 173.195 174.600 -0.015 0.000 1.111 987 S CA -0.506 57.686 58.200 -0.013 0.000 0.887 987 S CB 1.747 64.942 63.200 -0.008 0.000 1.095 987 S HN 0.156 nan 8.310 nan 0.000 0.476 988 E N 1.378 121.572 120.200 -0.011 0.000 2.439 988 E HA 0.488 4.836 4.350 -0.003 0.000 0.279 988 E C -1.672 174.927 176.600 -0.001 0.000 1.077 988 E CA -0.957 55.436 56.400 -0.011 0.000 0.849 988 E CB 1.233 30.920 29.700 -0.022 0.000 1.408 988 E HN 0.464 nan 8.360 nan 0.000 0.457 989 Q N 1.419 121.219 119.800 0.000 0.000 2.795 989 Q HA 0.354 4.692 4.340 -0.003 0.000 0.220 989 Q C -1.739 174.269 176.000 0.013 0.000 0.795 989 Q CA -0.176 55.637 55.803 0.017 0.000 0.875 989 Q CB 1.681 30.445 28.738 0.043 0.000 1.467 989 Q HN 0.577 nan 8.270 nan 0.000 0.449 990 S N 2.822 118.529 115.700 0.010 0.000 2.730 990 S HA 0.778 5.247 4.470 -0.003 0.000 0.284 990 S C -0.606 174.042 174.600 0.080 0.000 1.153 990 S CA -0.612 57.602 58.200 0.024 0.000 0.995 990 S CB 1.221 64.426 63.200 0.007 0.000 1.058 990 S HN 0.679 nan 8.310 nan 0.000 0.552 991 I N 1.089 121.742 120.570 0.139 0.000 2.984 991 I HA 0.455 4.624 4.170 -0.003 0.000 0.303 991 I C -2.079 174.160 176.117 0.202 0.000 1.381 991 I CA -0.505 60.891 61.300 0.159 0.000 0.988 991 I CB 1.981 40.100 38.000 0.198 0.000 1.307 991 I HN 0.916 nan 8.210 nan 0.000 0.460 992 N N 3.477 122.297 118.700 0.199 0.000 2.961 992 N HA 0.290 5.028 4.740 -0.003 0.000 0.245 992 N C -2.120 173.595 175.510 0.342 0.000 1.404 992 N CA -0.536 52.684 53.050 0.282 0.000 0.880 992 N CB 2.065 40.706 38.487 0.257 0.000 1.461 992 N HN 0.381 nan 8.380 nan 0.000 0.510 993 F N 1.600 121.705 119.950 0.259 0.000 2.467 993 F HA 0.614 5.139 4.527 -0.003 0.000 0.336 993 F C -0.821 175.107 175.800 0.213 0.000 1.123 993 F CA -0.757 57.363 58.000 0.200 0.000 0.964 993 F CB 1.282 40.401 39.000 0.198 0.000 1.136 993 F HN 0.520 nan 8.300 nan 0.000 0.447 994 S N 6.404 121.801 115.700 -0.505 0.000 2.530 994 S HA 0.458 4.926 4.470 -0.003 0.000 0.322 994 S C -0.856 173.018 174.600 -1.211 0.000 1.085 994 S CA -0.693 56.975 58.200 -0.886 0.000 1.096 994 S CB 0.305 63.190 63.200 -0.525 0.000 0.988 994 S HN 0.755 nan 8.310 nan 0.000 0.466 995 Y N 0.356 119.711 120.300 -1.574 0.000 2.326 995 Y HA 0.461 5.010 4.550 -0.003 0.000 0.333 995 Y C 0.126 175.541 175.900 -0.808 0.000 1.240 995 Y CA -0.875 56.458 58.100 -1.278 0.000 1.365 995 Y CB 0.207 37.673 38.460 -1.657 0.000 1.289 995 Y HN 0.644 nan 8.280 nan 0.000 0.548 996 D N 3.980 124.150 120.400 -0.384 0.000 2.348 996 D HA 0.087 4.725 4.640 -0.003 0.000 0.259 996 D C 0.744 176.964 176.300 -0.134 0.000 1.296 996 D CA 0.127 53.951 54.000 -0.292 0.000 0.931 996 D CB 0.118 40.775 40.800 -0.238 0.000 1.067 996 D HN 0.704 nan 8.370 nan 0.000 0.503 997 I N 2.403 122.787 120.570 -0.311 0.000 2.163 997 I HA -0.331 3.837 4.170 -0.003 0.000 0.243 997 I C 2.483 178.571 176.117 -0.049 0.000 1.085 997 I CA 1.178 62.368 61.300 -0.183 0.000 1.347 997 I CB -0.485 37.338 38.000 -0.296 0.000 1.044 997 I HN 0.504 nan 8.210 nan 0.000 0.408 998 S N 1.335 116.983 115.700 -0.085 0.000 2.374 998 S HA -0.216 4.253 4.470 -0.003 0.000 0.227 998 S C 1.573 176.158 174.600 -0.025 0.000 1.037 998 S CA 1.638 59.802 58.200 -0.060 0.000 1.024 998 S CB -0.624 62.529 63.200 -0.079 0.000 0.861 998 S HN 0.468 nan 8.310 nan 0.000 0.456 999 N N 2.279 120.981 118.700 0.002 0.000 2.383 999 N HA 0.141 4.880 4.740 -0.003 0.000 0.192 999 N C -0.467 175.118 175.510 0.125 0.000 1.141 999 N CA 0.178 53.255 53.050 0.045 0.000 0.851 999 N CB -0.099 38.416 38.487 0.047 0.000 0.976 999 N HN 0.497 nan 8.380 nan 0.000 0.465 1000 N N 0.176 118.957 118.700 0.136 0.000 2.703 1000 N HA 0.198 4.936 4.740 -0.003 0.000 0.283 1000 N C 0.442 176.022 175.510 0.117 0.000 1.851 1000 N CA -0.086 53.072 53.050 0.179 0.000 0.826 1000 N CB 1.314 39.933 38.487 0.219 0.000 1.239 1000 N HN -0.001 nan 8.380 nan 0.000 0.495 1001 A N 1.569 124.404 122.820 0.025 0.000 1.877 1001 A HA -0.008 4.310 4.320 -0.003 0.000 0.216 1001 A C -0.458 177.116 177.584 -0.017 0.000 1.186 1001 A CA 1.515 53.540 52.037 -0.020 0.000 0.620 1001 A CB -0.961 17.988 19.000 -0.086 0.000 0.822 1001 A HN 0.214 nan 8.150 nan 0.000 0.443 1002 P HA 0.171 nan 4.420 nan 0.000 0.225 1002 P C 0.573 177.931 177.300 0.095 0.000 1.148 1002 P CA 1.505 64.608 63.100 0.004 0.000 0.779 1002 P CB -0.048 31.654 31.700 0.003 0.000 0.780 1003 G N -1.158 107.706 108.800 0.107 0.000 3.233 1003 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.686 1003 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.686 1003 G C -1.172 173.749 174.900 0.035 0.000 1.153 1003 G CA -1.008 44.138 45.100 0.077 0.000 0.853 1003 G HN 0.025 nan 8.290 nan 0.000 0.582 1004 Y N 2.850 122.877 120.300 -0.455 0.000 2.559 1004 Y HA 0.176 4.725 4.550 -0.002 0.000 0.344 1004 Y C 1.158 177.081 175.900 0.038 0.000 1.257 1004 Y CA 0.291 58.141 58.100 -0.416 0.000 1.839 1004 Y CB 0.022 37.630 38.460 -1.421 0.000 1.648 1004 Y HN 0.449 nan 8.280 nan 0.000 0.445 1005 N N 4.678 123.357 118.700 -0.036 0.000 2.376 1005 N HA 0.018 4.757 4.740 -0.003 0.000 0.249 1005 N C -0.376 175.084 175.510 -0.084 0.000 1.140 1005 N CA -0.043 52.857 53.050 -0.250 0.000 0.870 1005 N CB 0.225 38.174 38.487 -0.897 0.000 1.124 1005 N HN 0.607 nan 8.380 nan 0.000 0.505 1006 K N -0.847 119.698 120.400 0.241 0.000 2.123 1006 K HA 0.312 4.630 4.320 -0.003 0.000 0.248 1006 K C -0.668 176.290 176.600 0.597 0.000 0.969 1006 K CA -0.745 55.843 56.287 0.501 0.000 0.882 1006 K CB 1.293 34.068 32.500 0.459 0.000 1.080 1006 K HN -0.130 nan 8.250 nan 0.000 0.441 1007 W N 2.210 123.855 121.300 0.576 0.000 2.216 1007 W HA 0.233 4.891 4.660 -0.003 0.000 0.326 1007 W C -0.260 176.817 176.519 0.930 0.000 1.319 1007 W CA 0.015 57.732 57.345 0.621 0.000 1.213 1007 W CB 0.407 30.125 29.460 0.430 0.000 1.171 1007 W HN 0.521 nan 8.180 nan 0.000 0.557 1008 F N 2.469 122.978 119.950 0.931 0.000 2.613 1008 F HA 0.584 5.109 4.527 -0.003 0.000 0.310 1008 F C -1.631 174.360 175.800 0.318 0.000 1.085 1008 F CA -2.091 56.286 58.000 0.629 0.000 0.945 1008 F CB 0.891 40.186 39.000 0.491 0.000 1.298 1008 F HN 0.141 nan 8.300 nan 0.000 0.455 1009 F N 3.127 122.916 119.950 -0.267 0.000 2.408 1009 F HA 0.731 5.256 4.527 -0.003 0.000 0.344 1009 F C -1.020 174.441 175.800 -0.566 0.000 1.112 1009 F CA -0.839 56.593 58.000 -0.948 0.000 1.096 1009 F CB 1.316 39.578 39.000 -1.230 0.000 1.129 1009 F HN 0.437 nan 8.300 nan 0.000 0.486 1010 V N 4.391 123.540 119.914 -1.275 0.000 2.667 1010 V HA 0.633 4.751 4.120 -0.003 0.000 0.308 1010 V C -0.567 174.787 176.094 -1.234 0.000 1.048 1010 V CA -0.529 61.165 62.300 -1.010 0.000 0.928 1010 V CB 2.194 33.357 31.823 -1.099 0.000 1.004 1010 V HN 0.853 nan 8.190 nan 0.000 0.444 1011 T N 2.765 116.928 114.554 -0.651 0.000 3.109 1011 T HA 0.518 4.867 4.350 -0.003 0.000 0.311 1011 T C -1.045 173.520 174.700 -0.225 0.000 1.011 1011 T CA -0.385 61.420 62.100 -0.492 0.000 1.026 1011 T CB 1.638 70.266 68.868 -0.400 0.000 1.047 1011 T HN 0.331 nan 8.240 nan 0.000 0.448 1012 V N 3.628 123.364 119.914 -0.296 0.000 2.487 1012 V HA 0.785 4.903 4.120 -0.003 0.000 0.298 1012 V C 0.181 176.087 176.094 -0.314 0.000 1.028 1012 V CA -0.730 61.372 62.300 -0.330 0.000 0.860 1012 V CB 1.946 33.351 31.823 -0.696 0.000 0.991 1012 V HN 1.077 nan 8.190 nan 0.000 0.427 1013 T N 1.709 116.131 114.554 -0.220 0.000 2.841 1013 T HA 0.703 5.052 4.350 -0.003 0.000 0.283 1013 T C -0.790 173.721 174.700 -0.315 0.000 1.000 1013 T CA -0.748 61.208 62.100 -0.241 0.000 0.977 1013 T CB 1.773 70.590 68.868 -0.085 0.000 0.979 1013 T HN 0.588 nan 8.240 nan 0.000 0.446 1014 N N 1.889 120.275 118.700 -0.523 0.000 2.225 1014 N HA 0.519 5.258 4.740 -0.003 0.000 0.298 1014 N C -1.753 173.514 175.510 -0.406 0.000 1.076 1014 N CA -0.641 52.122 53.050 -0.478 0.000 0.792 1014 N CB 1.833 39.895 38.487 -0.707 0.000 1.498 1014 N HN 0.700 nan 8.380 nan 0.000 0.474 1015 N N 4.212 122.791 118.700 -0.203 0.000 2.549 1015 N HA 0.200 4.939 4.740 -0.003 0.000 0.281 1015 N C 0.273 175.757 175.510 -0.044 0.000 1.084 1015 N CA -0.333 52.644 53.050 -0.121 0.000 0.862 1015 N CB 0.788 39.227 38.487 -0.079 0.000 1.333 1015 N HN 0.591 nan 8.380 nan 0.000 0.523 1016 M N 1.650 121.247 119.600 -0.004 0.000 2.195 1016 M HA -0.062 4.417 4.480 -0.003 0.000 0.260 1016 M C 0.973 177.300 176.300 0.045 0.000 1.066 1016 M CA 1.280 56.616 55.300 0.060 0.000 1.089 1016 M CB -0.321 32.351 32.600 0.120 0.000 1.377 1016 M HN 0.542 nan 8.290 nan 0.000 0.411 1017 M N -0.954 118.662 119.600 0.026 0.000 2.493 1017 M HA 0.259 4.738 4.480 -0.003 0.000 0.244 1017 M C 1.012 177.317 176.300 0.009 0.000 1.182 1017 M CA 0.134 55.447 55.300 0.021 0.000 0.981 1017 M CB -0.379 32.232 32.600 0.019 0.000 1.551 1017 M HN 0.241 nan 8.290 nan 0.000 0.476 1018 G N -0.022 108.779 108.800 0.002 0.000 3.255 1018 G HA2 0.318 4.276 3.960 -0.003 0.000 0.161 1018 G HA3 0.318 4.276 3.960 -0.003 0.000 0.161 1018 G C -0.521 174.376 174.900 -0.006 0.000 1.173 1018 G CA -0.430 44.667 45.100 -0.005 0.000 1.106 1018 G HN 0.235 nan 8.290 nan 0.000 0.650 1019 N N 0.076 118.766 118.700 -0.017 0.000 2.483 1019 N HA 0.519 5.257 4.740 -0.003 0.000 0.285 1019 N C -0.971 174.523 175.510 -0.028 0.000 1.210 1019 N CA -0.437 52.604 53.050 -0.015 0.000 0.931 1019 N CB 2.098 40.573 38.487 -0.019 0.000 1.220 1019 N HN 0.423 nan 8.380 nan 0.000 0.542 1020 M N 1.367 120.961 119.600 -0.010 0.000 2.085 1020 M HA 0.341 4.819 4.480 -0.003 0.000 0.309 1020 M C -1.631 174.658 176.300 -0.018 0.000 0.947 1020 M CA -0.487 54.811 55.300 -0.004 0.000 0.918 1020 M CB 0.577 33.225 32.600 0.079 0.000 1.504 1020 M HN 0.279 nan 8.290 nan 0.000 0.420 1021 K N 4.430 124.798 120.400 -0.055 0.000 2.281 1021 K HA 0.714 5.032 4.320 -0.003 0.000 0.242 1021 K C -1.302 175.226 176.600 -0.120 0.000 0.971 1021 K CA -0.509 55.703 56.287 -0.124 0.000 0.834 1021 K CB 2.881 35.257 32.500 -0.206 0.000 1.181 1021 K HN 0.766 nan 8.250 nan 0.000 0.435 1022 I N 1.568 122.014 120.570 -0.206 0.000 2.545 1022 I HA 0.462 4.630 4.170 -0.003 0.000 0.292 1022 I C -1.609 174.360 176.117 -0.248 0.000 1.040 1022 I CA -0.823 60.418 61.300 -0.098 0.000 1.068 1022 I CB 1.063 39.079 38.000 0.026 0.000 1.251 1022 I HN 0.584 nan 8.210 nan 0.000 0.424 1023 Y N 6.697 126.902 120.300 -0.158 0.000 2.462 1023 Y HA 0.571 5.120 4.550 -0.002 0.000 0.346 1023 Y C -0.443 175.298 175.900 -0.264 0.000 0.976 1023 Y CA -1.106 56.877 58.100 -0.196 0.000 1.044 1023 Y CB 2.075 40.411 38.460 -0.207 0.000 1.230 1023 Y HN 0.198 nan 8.280 nan 0.000 0.455 1024 I N 3.621 124.094 120.570 -0.162 0.000 2.411 1024 I HA 0.200 4.368 4.170 -0.003 0.000 0.284 1024 I C -0.437 175.474 176.117 -0.344 0.000 1.012 1024 I CA -1.012 60.110 61.300 -0.297 0.000 1.119 1024 I CB 1.058 38.675 38.000 -0.639 0.000 1.261 1024 I HN 0.806 nan 8.210 nan 0.000 0.448 1025 N N 5.306 123.782 118.700 -0.373 0.000 2.740 1025 N HA -0.202 4.537 4.740 -0.003 0.000 0.248 1025 N C 1.143 175.986 175.510 -1.112 0.000 1.062 1025 N CA 1.188 53.725 53.050 -0.855 0.000 0.704 1025 N CB -0.976 37.205 38.487 -0.511 0.000 0.968 1025 N HN 1.136 nan 8.380 nan 0.000 0.547 1026 G N -2.029 106.338 108.800 -0.721 0.000 2.253 1026 G HA2 -0.373 3.586 3.960 -0.003 0.000 0.251 1026 G HA3 -0.373 3.586 3.960 -0.003 0.000 0.251 1026 G C 0.199 175.018 174.900 -0.135 0.000 0.998 1026 G CA 0.922 45.755 45.100 -0.443 0.000 0.621 1026 G HN 0.428 nan 8.290 nan 0.000 0.524 1027 K N 0.271 120.580 120.400 -0.153 0.000 2.205 1027 K HA 0.667 4.986 4.320 -0.003 0.000 0.279 1027 K C 0.081 176.668 176.600 -0.022 0.000 1.027 1027 K CA -0.948 55.298 56.287 -0.068 0.000 0.932 1027 K CB 1.286 33.679 32.500 -0.178 0.000 1.032 1027 K HN 0.303 nan 8.250 nan 0.000 0.466 1028 L N 5.140 126.304 121.223 -0.097 0.000 2.361 1028 L HA 0.138 4.476 4.340 -0.003 0.000 0.278 1028 L C 0.216 176.938 176.870 -0.248 0.000 1.113 1028 L CA 0.584 55.163 54.840 -0.435 0.000 0.849 1028 L CB 0.137 41.973 42.059 -0.371 0.000 1.155 1028 L HN 0.638 nan 8.230 nan 0.000 0.452 1029 I N 2.469 122.892 120.570 -0.245 0.000 2.947 1029 I HA 0.252 4.421 4.170 -0.003 0.000 0.263 1029 I C 0.697 176.789 176.117 -0.042 0.000 1.130 1029 I CA 0.574 61.837 61.300 -0.062 0.000 1.448 1029 I CB -0.555 37.473 38.000 0.047 0.000 1.222 1029 I HN 0.579 nan 8.210 nan 0.000 0.453 1030 D N -0.267 120.085 120.400 -0.081 0.000 2.531 1030 D HA 0.487 5.126 4.640 -0.003 0.000 0.244 1030 D C -0.967 175.279 176.300 -0.091 0.000 1.090 1030 D CA 0.086 54.063 54.000 -0.039 0.000 0.989 1030 D CB 3.450 44.273 40.800 0.038 0.000 1.433 1030 D HN -0.033 nan 8.370 nan 0.000 0.492 1031 T N 0.015 114.540 114.554 -0.047 0.000 2.977 1031 T HA 0.576 4.924 4.350 -0.003 0.000 0.345 1031 T C -1.575 173.116 174.700 -0.015 0.000 1.562 1031 T CA -0.610 61.460 62.100 -0.049 0.000 1.090 1031 T CB 0.596 69.418 68.868 -0.076 0.000 1.383 1031 T HN 0.413 nan 8.240 nan 0.000 0.484 1032 I N -0.209 120.359 120.570 -0.003 0.000 2.984 1032 I HA 0.715 4.884 4.170 -0.003 0.000 0.303 1032 I C -1.420 174.703 176.117 0.010 0.000 1.381 1032 I CA -1.414 59.892 61.300 0.009 0.000 0.988 1032 I CB 2.138 40.153 38.000 0.026 0.000 1.307 1032 I HN 0.600 nan 8.210 nan 0.000 0.460 1033 K N 3.131 123.537 120.400 0.011 0.000 2.297 1033 K HA 0.424 4.743 4.320 -0.003 0.000 0.286 1033 K C -0.952 175.662 176.600 0.025 0.000 1.053 1033 K CA -0.256 56.039 56.287 0.013 0.000 0.940 1033 K CB 1.093 33.599 32.500 0.010 0.000 1.019 1033 K HN 0.529 nan 8.250 nan 0.000 0.475 1034 V N 6.715 126.646 119.914 0.029 0.000 2.425 1034 V HA 0.002 4.120 4.120 -0.003 0.000 0.276 1034 V C 0.675 176.797 176.094 0.046 0.000 1.017 1034 V CA -0.157 62.172 62.300 0.048 0.000 1.062 1034 V CB -0.490 31.364 31.823 0.053 0.000 0.997 1034 V HN 0.845 nan 8.190 nan 0.000 0.476 1035 K N 4.544 124.972 120.400 0.046 0.000 2.132 1035 K HA 0.293 4.611 4.320 -0.003 0.000 0.240 1035 K C -0.039 176.591 176.600 0.049 0.000 1.036 1035 K CA -0.625 55.685 56.287 0.040 0.000 0.888 1035 K CB 0.939 33.458 32.500 0.032 0.000 1.071 1035 K HN 0.587 nan 8.250 nan 0.000 0.502 1036 E N 0.798 121.024 120.200 0.042 0.000 2.366 1036 E HA 0.019 4.367 4.350 -0.003 0.000 0.266 1036 E C -0.176 176.454 176.600 0.050 0.000 1.015 1036 E CA 0.006 56.434 56.400 0.048 0.000 0.906 1036 E CB 0.475 30.197 29.700 0.037 0.000 0.979 1036 E HN 0.426 nan 8.360 nan 0.000 0.443 1037 L N 2.997 124.260 121.223 0.066 0.000 3.168 1037 L HA 0.086 4.424 4.340 -0.003 0.000 0.277 1037 L C 0.572 177.474 176.870 0.053 0.000 1.245 1037 L CA -0.359 54.516 54.840 0.058 0.000 1.035 1037 L CB 0.281 42.386 42.059 0.077 0.000 1.399 1037 L HN 0.543 nan 8.230 nan 0.000 0.580 1038 T N -1.358 113.228 114.554 0.053 0.000 2.718 1038 T HA 0.144 4.492 4.350 -0.003 0.000 0.265 1038 T C 1.332 176.050 174.700 0.030 0.000 1.014 1038 T CA 0.893 63.022 62.100 0.047 0.000 1.172 1038 T CB 0.684 69.573 68.868 0.035 0.000 1.007 1038 T HN 0.641 nan 8.240 nan 0.000 0.500 1039 G N 2.928 111.747 108.800 0.031 0.000 2.179 1039 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.220 1039 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.220 1039 G C 0.125 175.028 174.900 0.005 0.000 0.990 1039 G CA -0.136 44.972 45.100 0.014 0.000 0.646 1039 G HN 1.081 nan 8.290 nan 0.000 0.517 1040 I N 0.866 121.439 120.570 0.006 0.000 2.754 1040 I HA 0.396 4.564 4.170 -0.003 0.000 0.285 1040 I C 0.095 176.187 176.117 -0.041 0.000 1.166 1040 I CA -0.159 61.094 61.300 -0.077 0.000 1.417 1040 I CB 0.672 38.579 38.000 -0.155 0.000 1.382 1040 I HN 0.243 nan 8.210 nan 0.000 0.588 1041 N N 5.482 124.097 118.700 -0.142 0.000 2.480 1041 N HA 0.343 5.082 4.740 -0.003 0.000 0.289 1041 N C -1.538 173.892 175.510 -0.133 0.000 1.073 1041 N CA -0.650 52.407 53.050 0.010 0.000 0.885 1041 N CB 0.962 39.473 38.487 0.040 0.000 1.421 1041 N HN 0.280 nan 8.380 nan 0.000 0.503 1042 F N 1.321 121.394 119.950 0.204 0.000 2.412 1042 F HA 0.244 4.769 4.527 -0.003 0.000 0.348 1042 F C 1.248 177.072 175.800 0.040 0.000 1.102 1042 F CA -0.254 57.768 58.000 0.037 0.000 1.196 1042 F CB 1.474 40.384 39.000 -0.149 0.000 1.144 1042 F HN 0.213 nan 8.300 nan 0.000 0.541 1043 S N 2.308 118.097 115.700 0.149 0.000 2.562 1043 S HA 0.208 4.677 4.470 -0.003 0.000 0.275 1043 S C 0.957 175.583 174.600 0.043 0.000 1.281 1043 S CA -0.819 57.404 58.200 0.037 0.000 1.045 1043 S CB 0.626 63.776 63.200 -0.084 0.000 0.962 1043 S HN 0.742 nan 8.310 nan 0.000 0.503 1044 K N 1.964 122.385 120.400 0.036 0.000 2.459 1044 K HA 0.109 4.428 4.320 -0.003 0.000 0.193 1044 K C 0.032 176.634 176.600 0.003 0.000 1.030 1044 K CA 0.288 56.597 56.287 0.036 0.000 1.026 1044 K CB -0.171 32.353 32.500 0.041 0.000 0.809 1044 K HN 0.415 nan 8.250 nan 0.000 0.504 1045 T N 2.065 116.595 114.554 -0.041 0.000 2.824 1045 T HA 0.510 4.859 4.350 -0.003 0.000 0.280 1045 T C -0.402 174.202 174.700 -0.161 0.000 0.995 1045 T CA -0.625 61.431 62.100 -0.075 0.000 1.009 1045 T CB 1.364 70.186 68.868 -0.077 0.000 0.955 1045 T HN 0.092 nan 8.240 nan 0.000 0.452 1046 I N 2.574 123.048 120.570 -0.161 0.000 2.447 1046 I HA 0.335 4.503 4.170 -0.003 0.000 0.287 1046 I C -0.195 175.744 176.117 -0.297 0.000 1.023 1046 I CA -0.755 60.361 61.300 -0.308 0.000 1.083 1046 I CB 2.125 39.984 38.000 -0.235 0.000 1.245 1046 I HN 0.496 nan 8.210 nan 0.000 0.434 1047 T N 5.927 120.258 114.554 -0.372 0.000 2.770 1047 T HA 0.500 4.848 4.350 -0.003 0.000 0.283 1047 T C -0.517 173.983 174.700 -0.333 0.000 0.988 1047 T CA -0.315 61.639 62.100 -0.243 0.000 0.957 1047 T CB 0.517 69.290 68.868 -0.160 0.000 0.930 1047 T HN 0.117 nan 8.240 nan 0.000 0.443 1048 F N 2.926 122.806 119.950 -0.117 0.000 2.391 1048 F HA 0.516 5.041 4.527 -0.003 0.000 0.359 1048 F C 0.832 176.604 175.800 -0.048 0.000 1.122 1048 F CA -0.468 57.489 58.000 -0.071 0.000 1.120 1048 F CB 0.769 39.773 39.000 0.006 0.000 1.142 1048 F HN 0.529 nan 8.300 nan 0.000 0.483 1049 E N 4.134 124.375 120.200 0.067 0.000 2.649 1049 E HA 0.236 4.584 4.350 -0.003 0.000 0.308 1049 E C -1.625 174.967 176.600 -0.014 0.000 1.017 1049 E CA -0.552 55.862 56.400 0.023 0.000 0.848 1049 E CB 1.191 30.893 29.700 0.002 0.000 1.240 1049 E HN 0.534 nan 8.360 nan 0.000 0.421 1050 I N 4.110 124.652 120.570 -0.048 0.000 2.329 1050 I HA 0.192 4.360 4.170 -0.003 0.000 0.295 1050 I C -0.107 176.010 176.117 0.001 0.000 1.109 1050 I CA -0.267 60.980 61.300 -0.087 0.000 1.297 1050 I CB 0.047 37.896 38.000 -0.252 0.000 1.433 1050 I HN 0.243 nan 8.210 nan 0.000 0.509 1051 N N 6.214 124.971 118.700 0.095 0.000 2.408 1051 N HA 0.202 4.940 4.740 -0.003 0.000 0.280 1051 N C -0.203 175.475 175.510 0.280 0.000 1.002 1051 N CA -0.713 52.423 53.050 0.144 0.000 0.907 1051 N CB 2.000 40.523 38.487 0.061 0.000 1.161 1051 N HN 0.358 nan 8.380 nan 0.000 0.488 1052 K N 2.300 122.856 120.400 0.259 0.000 2.448 1052 K HA 0.152 4.471 4.320 -0.003 0.000 0.278 1052 K C 0.065 176.652 176.600 -0.022 0.000 1.009 1052 K CA -0.208 56.118 56.287 0.064 0.000 0.995 1052 K CB 0.486 33.000 32.500 0.023 0.000 0.917 1052 K HN 0.468 nan 8.250 nan 0.000 0.481 1053 I N 6.224 126.727 120.570 -0.112 0.000 2.581 1053 I HA 0.097 4.265 4.170 -0.003 0.000 0.288 1053 I C -1.516 174.562 176.117 -0.065 0.000 1.047 1053 I CA -2.406 58.854 61.300 -0.066 0.000 1.374 1053 I CB 0.761 38.721 38.000 -0.067 0.000 1.423 1053 I HN 0.426 nan 8.210 nan 0.000 0.549 1054 P HA 0.092 nan 4.420 nan 0.000 0.240 1054 P C -0.730 176.548 177.300 -0.038 0.000 1.594 1054 P CA 0.604 63.683 63.100 -0.035 0.000 1.184 1054 P CB 0.052 31.736 31.700 -0.028 0.000 1.915 1060 T N 1.138 115.688 114.554 -0.006 0.000 3.220 1060 T HA 0.110 4.458 4.350 -0.003 0.000 0.262 1060 T C 0.547 175.245 174.700 -0.003 0.000 0.843 1060 T CA 0.797 62.892 62.100 -0.009 0.000 0.838 1060 T CB 0.177 69.041 68.868 -0.007 0.000 1.262 1060 T HN 0.715 nan 8.240 nan 0.000 0.613 1061 S N 0.914 116.617 115.700 0.005 0.000 2.661 1061 S HA 0.542 5.010 4.470 -0.003 0.000 0.265 1061 S C -0.275 174.336 174.600 0.018 0.000 1.225 1061 S CA -0.444 57.764 58.200 0.012 0.000 0.986 1061 S CB 0.720 63.929 63.200 0.016 0.000 1.008 1061 S HN 0.230 nan 8.310 nan 0.000 0.565 1062 D N 0.724 121.139 120.400 0.025 0.000 2.325 1062 D HA 0.480 5.119 4.640 -0.003 0.000 0.251 1062 D C -0.162 176.167 176.300 0.049 0.000 1.196 1062 D CA 0.282 54.304 54.000 0.037 0.000 0.866 1062 D CB 0.874 41.695 40.800 0.034 0.000 1.101 1062 D HN 0.456 nan 8.370 nan 0.000 0.476 1063 S N 1.689 117.430 115.700 0.068 0.000 2.694 1063 S HA 0.277 4.745 4.470 -0.003 0.000 0.278 1063 S C -0.409 174.245 174.600 0.089 0.000 1.152 1063 S CA -0.894 57.355 58.200 0.082 0.000 1.010 1063 S CB 0.563 63.826 63.200 0.106 0.000 1.104 1063 S HN 0.434 nan 8.310 nan 0.000 0.547 1064 D N 2.262 122.716 120.400 0.089 0.000 2.378 1064 D HA 0.047 4.686 4.640 -0.003 0.000 0.238 1064 D C 0.385 176.730 176.300 0.074 0.000 1.180 1064 D CA 0.074 54.119 54.000 0.075 0.000 0.895 1064 D CB 0.097 40.942 40.800 0.075 0.000 1.192 1064 D HN 0.397 nan 8.370 nan 0.000 0.438 1065 N N 0.811 119.536 118.700 0.042 0.000 2.503 1065 N HA 0.132 4.870 4.740 -0.003 0.000 0.267 1065 N C -1.075 174.420 175.510 -0.025 0.000 1.214 1065 N CA -0.130 52.923 53.050 0.005 0.000 0.959 1065 N CB 0.687 39.168 38.487 -0.010 0.000 1.142 1065 N HN 0.178 nan 8.380 nan 0.000 0.455 1066 I N 2.047 122.555 120.570 -0.104 0.000 2.569 1066 I HA 0.346 4.514 4.170 -0.003 0.000 0.296 1066 I C -0.604 175.372 176.117 -0.235 0.000 1.028 1066 I CA -0.785 60.426 61.300 -0.148 0.000 1.082 1066 I CB 1.694 39.562 38.000 -0.220 0.000 1.264 1066 I HN 0.484 nan 8.210 nan 0.000 0.429 1067 N N 6.807 125.339 118.700 -0.279 0.000 2.361 1067 N HA 0.576 5.314 4.740 -0.003 0.000 0.302 1067 N C -1.158 173.931 175.510 -0.702 0.000 1.074 1067 N CA -0.524 52.184 53.050 -0.570 0.000 0.850 1067 N CB 2.375 40.395 38.487 -0.780 0.000 1.228 1067 N HN 0.546 nan 8.380 nan 0.000 0.491 1068 M N 1.598 120.715 119.600 -0.806 0.000 2.263 1068 M HA 0.395 4.873 4.480 -0.003 0.000 0.295 1068 M C -1.814 174.091 176.300 -0.659 0.000 1.028 1068 M CA -0.656 54.318 55.300 -0.544 0.000 0.921 1068 M CB 1.905 34.322 32.600 -0.305 0.000 1.601 1068 M HN 0.422 nan 8.290 nan 0.000 0.440 1069 W N 6.330 127.428 121.300 -0.337 0.000 2.376 1069 W HA 0.465 5.123 4.660 -0.003 0.000 0.312 1069 W C -0.883 175.439 176.519 -0.328 0.000 1.060 1069 W CA -0.800 56.330 57.345 -0.359 0.000 1.221 1069 W CB 1.338 30.538 29.460 -0.433 0.000 1.281 1069 W HN 0.451 nan 8.180 nan 0.000 0.456 1070 I N 3.612 123.940 120.570 -0.403 0.000 2.562 1070 I HA 0.545 4.714 4.170 -0.003 0.000 0.301 1070 I C 0.097 176.099 176.117 -0.191 0.000 1.003 1070 I CA -1.195 59.877 61.300 -0.380 0.000 1.127 1070 I CB 1.935 39.415 38.000 -0.866 0.000 1.304 1070 I HN 0.379 nan 8.210 nan 0.000 0.446 1071 R N 4.082 124.745 120.500 0.273 0.000 2.561 1071 R HA 0.194 4.532 4.340 -0.003 0.000 0.266 1071 R C -1.581 174.992 176.300 0.456 0.000 1.091 1071 R CA -0.378 55.925 56.100 0.338 0.000 0.927 1071 R CB 1.445 31.886 30.300 0.236 0.000 1.240 1071 R HN 0.702 nan 8.270 nan 0.000 0.449 1072 D N 3.085 123.743 120.400 0.430 0.000 3.038 1072 D HA -0.258 4.380 4.640 -0.003 0.000 0.229 1072 D C -0.983 175.490 176.300 0.288 0.000 1.182 1072 D CA 1.169 55.434 54.000 0.441 0.000 0.852 1072 D CB -0.841 40.145 40.800 0.309 0.000 0.932 1072 D HN 0.332 nan 8.370 nan 0.000 0.406 1073 F N 2.244 122.435 119.950 0.401 0.000 2.404 1073 F HA 0.366 4.892 4.527 -0.002 0.000 0.358 1073 F C -0.205 175.954 175.800 0.598 0.000 1.120 1073 F CA -0.300 57.955 58.000 0.425 0.000 1.144 1073 F CB 0.450 39.708 39.000 0.430 0.000 1.133 1073 F HN 0.027 nan 8.300 nan 0.000 0.495 1074 Y N 6.009 126.218 120.300 -0.152 0.000 2.598 1074 Y HA 0.698 5.246 4.550 -0.003 0.000 0.340 1074 Y C -0.285 175.351 175.900 -0.441 0.000 1.038 1074 Y CA -1.643 56.323 58.100 -0.222 0.000 1.100 1074 Y CB 2.255 40.594 38.460 -0.202 0.000 1.281 1074 Y HN 0.163 nan 8.280 nan 0.000 0.488 1075 I N 1.970 122.344 120.570 -0.325 0.000 2.607 1075 I HA 0.294 4.462 4.170 -0.003 0.000 0.290 1075 I C -1.533 174.290 176.117 -0.489 0.000 1.129 1075 I CA -0.523 60.609 61.300 -0.281 0.000 1.042 1075 I CB 2.064 39.999 38.000 -0.109 0.000 1.242 1075 I HN 0.397 nan 8.210 nan 0.000 0.421 1076 F N 3.172 123.142 119.950 0.033 0.000 2.508 1076 F HA 0.531 5.056 4.527 -0.002 0.000 0.325 1076 F C 0.867 176.691 175.800 0.040 0.000 1.090 1076 F CA -0.638 57.384 58.000 0.037 0.000 0.945 1076 F CB 1.981 40.998 39.000 0.028 0.000 1.156 1076 F HN 0.476 nan 8.300 nan 0.000 0.463 1077 A N 2.790 125.717 122.820 0.178 0.000 2.503 1077 A HA 0.313 4.632 4.320 -0.003 0.000 0.263 1077 A C 0.086 177.738 177.584 0.113 0.000 1.360 1077 A CA -0.039 52.068 52.037 0.116 0.000 0.969 1077 A CB -1.089 17.943 19.000 0.053 0.000 1.000 1077 A HN 0.749 nan 8.150 nan 0.000 0.530 1078 K N -1.293 119.183 120.400 0.127 0.000 2.548 1078 K HA 0.465 4.784 4.320 -0.003 0.000 0.282 1078 K C -0.891 175.705 176.600 -0.007 0.000 1.006 1078 K CA -0.820 55.495 56.287 0.047 0.000 0.892 1078 K CB 0.928 33.451 32.500 0.039 0.000 1.499 1078 K HN -0.017 nan 8.250 nan 0.000 0.433 1079 E N 2.535 122.700 120.200 -0.058 0.000 1.941 1079 E HA 0.152 4.500 4.350 -0.003 0.000 0.275 1079 E C -0.710 175.825 176.600 -0.109 0.000 1.113 1079 E CA -0.523 55.818 56.400 -0.100 0.000 0.878 1079 E CB 0.316 29.957 29.700 -0.098 0.000 1.070 1079 E HN 0.429 nan 8.360 nan 0.000 0.399 1080 L N 4.942 126.072 121.223 -0.155 0.000 2.490 1080 L HA 0.015 4.354 4.340 -0.003 0.000 0.274 1080 L C 0.942 177.691 176.870 -0.202 0.000 1.201 1080 L CA 0.006 54.715 54.840 -0.220 0.000 0.869 1080 L CB 0.140 41.996 42.059 -0.338 0.000 1.123 1080 L HN 0.645 nan 8.230 nan 0.000 0.484 1081 D N 2.364 122.661 120.400 -0.170 0.000 2.466 1081 D HA 0.096 4.734 4.640 -0.003 0.000 0.262 1081 D C 1.092 177.278 176.300 -0.190 0.000 1.177 1081 D CA -0.170 53.754 54.000 -0.128 0.000 1.035 1081 D CB 1.206 41.962 40.800 -0.074 0.000 1.105 1081 D HN 0.531 nan 8.370 nan 0.000 0.551 1082 G N -0.253 108.482 108.800 -0.108 0.000 2.442 1082 G HA2 -0.326 3.633 3.960 -0.003 0.000 0.219 1082 G HA3 -0.326 3.633 3.960 -0.003 0.000 0.219 1082 G C 1.425 176.254 174.900 -0.118 0.000 1.141 1082 G CA 0.845 45.876 45.100 -0.114 0.000 0.763 1082 G HN 0.567 nan 8.290 nan 0.000 0.554 1083 K N 0.031 120.380 120.400 -0.085 0.000 2.057 1083 K HA -0.087 4.232 4.320 -0.003 0.000 0.206 1083 K C 1.975 178.520 176.600 -0.092 0.000 1.050 1083 K CA 1.339 57.584 56.287 -0.070 0.000 0.935 1083 K CB -0.065 32.404 32.500 -0.051 0.000 0.715 1083 K HN 0.109 nan 8.250 nan 0.000 0.439 1084 D N 0.757 121.082 120.400 -0.125 0.000 2.178 1084 D HA -0.102 4.536 4.640 -0.003 0.000 0.202 1084 D C 1.849 178.048 176.300 -0.170 0.000 0.974 1084 D CA 0.833 54.744 54.000 -0.148 0.000 0.841 1084 D CB -0.038 40.647 40.800 -0.191 0.000 0.953 1084 D HN 0.256 nan 8.370 nan 0.000 0.478 1085 I N 0.625 121.065 120.570 -0.217 0.000 2.252 1085 I HA -0.251 3.918 4.170 -0.003 0.000 0.245 1085 I C 1.639 177.692 176.117 -0.107 0.000 1.102 1085 I CA 0.948 62.112 61.300 -0.226 0.000 1.385 1085 I CB -0.158 37.560 38.000 -0.471 0.000 1.064 1085 I HN -0.073 nan 8.210 nan 0.000 0.414 1086 N N 0.807 119.456 118.700 -0.085 0.000 2.270 1086 N HA -0.020 4.719 4.740 -0.003 0.000 0.181 1086 N C 1.862 177.398 175.510 0.044 0.000 1.016 1086 N CA 0.870 53.938 53.050 0.030 0.000 0.870 1086 N CB -0.067 38.431 38.487 0.019 0.000 0.979 1086 N HN 0.244 nan 8.380 nan 0.000 0.431 1087 I N 0.051 120.608 120.570 -0.022 0.000 2.127 1087 I HA -0.267 3.901 4.170 -0.003 0.000 0.241 1087 I C 2.051 178.144 176.117 -0.039 0.000 1.075 1087 I CA 0.826 62.106 61.300 -0.033 0.000 1.334 1087 I CB -0.201 37.773 38.000 -0.045 0.000 1.040 1087 I HN 0.169 nan 8.210 nan 0.000 0.405 1088 L N 0.734 121.934 121.223 -0.039 0.000 1.970 1088 L HA -0.279 4.059 4.340 -0.003 0.000 0.212 1088 L C 2.420 179.216 176.870 -0.123 0.000 1.071 1088 L CA 1.873 56.707 54.840 -0.011 0.000 0.751 1088 L CB -0.894 41.189 42.059 0.039 0.000 0.889 1088 L HN 0.224 nan 8.230 nan 0.000 0.432 1089 F N 0.161 119.832 119.950 -0.465 0.000 2.141 1089 F HA -0.382 4.144 4.527 -0.002 0.000 0.300 1089 F C 1.912 177.517 175.800 -0.326 0.000 1.079 1089 F CA 2.361 59.877 58.000 -0.807 0.000 1.264 1089 F CB -0.193 38.438 39.000 -0.615 0.000 1.011 1089 F HN 0.334 nan 8.300 nan 0.000 0.487 1090 N N -0.599 117.885 118.700 -0.361 0.000 2.387 1090 N HA -0.097 4.641 4.740 -0.003 0.000 0.176 1090 N C 1.995 177.355 175.510 -0.250 0.000 1.022 1090 N CA 0.949 53.773 53.050 -0.377 0.000 0.883 1090 N CB -0.123 38.243 38.487 -0.203 0.000 1.019 1090 N HN 0.319 nan 8.380 nan 0.000 0.435 1091 S N 1.367 116.976 115.700 -0.151 0.000 2.400 1091 S HA -0.141 4.328 4.470 -0.003 0.000 0.232 1091 S C 1.336 175.870 174.600 -0.110 0.000 1.025 1091 S CA 0.769 58.907 58.200 -0.103 0.000 0.993 1091 S CB -0.814 62.370 63.200 -0.026 0.000 0.808 1091 S HN 0.457 nan 8.310 nan 0.000 0.478 1092 L N -0.244 120.938 121.223 -0.068 0.000 2.990 1092 L HA 0.593 4.932 4.340 -0.003 0.000 0.231 1092 L C -0.340 176.449 176.870 -0.135 0.000 1.341 1092 L CA -0.557 54.275 54.840 -0.013 0.000 1.208 1092 L CB -0.546 41.614 42.059 0.168 0.000 1.571 1092 L HN 0.325 nan 8.230 nan 0.000 0.453 1093 Q N 0.576 120.202 119.800 -0.288 0.000 2.479 1093 Q HA 0.346 4.685 4.340 -0.003 0.000 0.276 1093 Q C -1.984 173.738 176.000 -0.463 0.000 0.989 1093 Q CA -0.627 54.977 55.803 -0.332 0.000 0.864 1093 Q CB 1.849 30.373 28.738 -0.356 0.000 1.444 1093 Q HN 0.378 nan 8.270 nan 0.000 0.388 1094 Y N 1.925 122.093 120.300 -0.219 0.000 2.751 1094 Y HA 0.154 4.703 4.550 -0.003 0.000 0.333 1094 Y C 1.388 177.185 175.900 -0.171 0.000 1.122 1094 Y CA 0.078 58.043 58.100 -0.225 0.000 1.367 1094 Y CB 1.020 39.286 38.460 -0.324 0.000 1.242 1094 Y HN 0.770 nan 8.280 nan 0.000 0.505 1095 T N -2.781 111.735 114.554 -0.064 0.000 3.139 1095 T HA -0.173 4.175 4.350 -0.003 0.000 0.267 1095 T C 1.332 176.027 174.700 -0.007 0.000 1.164 1095 T CA 1.559 63.630 62.100 -0.048 0.000 1.075 1095 T CB -0.081 68.743 68.868 -0.073 0.000 0.904 1095 T HN 0.438 nan 8.240 nan 0.000 0.540 1096 N N 0.844 119.548 118.700 0.007 0.000 2.282 1096 N HA 0.087 4.825 4.740 -0.003 0.000 0.185 1096 N C 0.133 175.634 175.510 -0.015 0.000 1.099 1096 N CA 0.019 53.071 53.050 0.004 0.000 0.878 1096 N CB 0.615 39.106 38.487 0.006 0.000 0.993 1096 N HN 0.471 nan 8.380 nan 0.000 0.481 1097 V N 0.446 120.340 119.914 -0.033 0.000 2.389 1097 V HA 0.405 4.524 4.120 -0.003 0.000 0.264 1097 V C 0.561 176.617 176.094 -0.064 0.000 1.049 1097 V CA -1.147 61.105 62.300 -0.081 0.000 0.932 1097 V CB 0.517 32.252 31.823 -0.147 0.000 1.011 1097 V HN -0.194 nan 8.190 nan 0.000 0.475 1098 V N 5.858 125.734 119.914 -0.064 0.000 2.694 1098 V HA 0.128 4.247 4.120 -0.003 0.000 0.306 1098 V C 0.776 176.829 176.094 -0.069 0.000 1.054 1098 V CA 0.322 62.600 62.300 -0.037 0.000 1.161 1098 V CB 0.164 31.957 31.823 -0.049 0.000 0.916 1098 V HN 0.891 nan 8.190 nan 0.000 0.490 1099 K N 3.078 123.465 120.400 -0.022 0.000 2.139 1099 K HA 0.423 4.741 4.320 -0.003 0.000 0.243 1099 K C -0.289 176.271 176.600 -0.066 0.000 0.983 1099 K CA -0.747 55.480 56.287 -0.099 0.000 0.890 1099 K CB 1.404 33.773 32.500 -0.219 0.000 1.090 1099 K HN 0.855 nan 8.250 nan 0.000 0.445 1100 D N -0.923 119.406 120.400 -0.117 0.000 2.478 1100 D HA -0.045 4.594 4.640 -0.003 0.000 0.269 1100 D C 1.102 177.364 176.300 -0.063 0.000 1.232 1100 D CA -0.216 53.728 54.000 -0.093 0.000 1.059 1100 D CB -0.083 40.678 40.800 -0.065 0.000 1.104 1100 D HN 0.443 nan 8.370 nan 0.000 0.566 1101 Y N -0.936 119.162 120.300 -0.337 0.000 2.384 1101 Y HA -0.076 4.472 4.550 -0.003 0.000 0.289 1101 Y C 1.236 176.890 175.900 -0.411 0.000 1.152 1101 Y CA 1.085 58.885 58.100 -0.500 0.000 1.258 1101 Y CB -0.102 37.767 38.460 -0.984 0.000 0.979 1101 Y HN 0.432 nan 8.280 nan 0.000 0.549 1102 W N -1.695 119.695 121.300 0.150 0.000 3.220 1102 W HA 0.357 5.015 4.660 -0.003 0.000 0.328 1102 W C 1.660 178.139 176.519 -0.066 0.000 1.205 1102 W CA 0.334 57.730 57.345 0.086 0.000 1.773 1102 W CB 0.385 29.894 29.460 0.081 0.000 1.086 1102 W HN 0.056 nan 8.180 nan 0.000 0.622 1103 G N 0.560 109.106 108.800 -0.424 0.000 2.176 1103 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.232 1103 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.232 1103 G C 0.021 174.680 174.900 -0.401 0.000 0.986 1103 G CA -0.541 43.901 45.100 -1.096 0.000 0.643 1103 G HN 0.148 nan 8.290 nan 0.000 0.522 1104 N N 1.619 120.264 118.700 -0.091 0.000 2.529 1104 N HA 0.373 5.111 4.740 -0.003 0.000 0.278 1104 N C -0.389 175.066 175.510 -0.091 0.000 1.146 1104 N CA -0.333 52.688 53.050 -0.049 0.000 0.980 1104 N CB 0.678 39.213 38.487 0.080 0.000 1.124 1104 N HN 0.186 nan 8.380 nan 0.000 0.458 1105 D N 0.967 121.304 120.400 -0.105 0.000 2.658 1105 D HA -0.096 4.542 4.640 -0.003 0.000 0.230 1105 D C 0.216 176.464 176.300 -0.086 0.000 1.118 1105 D CA 0.249 54.182 54.000 -0.112 0.000 0.848 1105 D CB 0.321 41.048 40.800 -0.121 0.000 1.160 1105 D HN 0.265 nan 8.370 nan 0.000 0.497 1106 L N 3.742 124.883 121.223 -0.137 0.000 2.426 1106 L HA 0.220 4.558 4.340 -0.003 0.000 0.271 1106 L C 0.073 176.842 176.870 -0.168 0.000 1.169 1106 L CA 0.454 55.183 54.840 -0.185 0.000 0.836 1106 L CB 0.328 42.198 42.059 -0.315 0.000 1.112 1106 L HN 0.283 nan 8.230 nan 0.000 0.465 1107 R N 3.638 124.125 120.500 -0.022 0.000 2.750 1107 R HA 0.333 4.671 4.340 -0.003 0.000 0.281 1107 R C -1.264 174.964 176.300 -0.122 0.000 0.972 1107 R CA -0.749 55.305 56.100 -0.077 0.000 0.912 1107 R CB 1.322 31.630 30.300 0.013 0.000 1.187 1107 R HN 0.535 nan 8.270 nan 0.000 0.464 1108 Y N 1.390 121.652 120.300 -0.065 0.000 2.300 1108 Y HA 0.042 4.590 4.550 -0.003 0.000 0.328 1108 Y C 1.161 176.986 175.900 -0.124 0.000 1.270 1108 Y CA 0.123 58.150 58.100 -0.122 0.000 1.352 1108 Y CB 0.665 39.036 38.460 -0.150 0.000 1.286 1108 Y HN 0.661 nan 8.280 nan 0.000 0.536 1109 N N -0.515 118.201 118.700 0.027 0.000 2.863 1109 N HA -0.252 4.486 4.740 -0.003 0.000 0.245 1109 N C -0.453 174.988 175.510 -0.114 0.000 1.001 1109 N CA 0.998 54.018 53.050 -0.050 0.000 0.901 1109 N CB -0.903 37.565 38.487 -0.033 0.000 1.124 1109 N HN 0.597 nan 8.380 nan 0.000 0.582 1110 K N 1.308 121.594 120.400 -0.190 0.000 2.110 1110 K HA 0.288 4.606 4.320 -0.003 0.000 0.263 1110 K C -0.331 175.942 176.600 -0.545 0.000 0.975 1110 K CA -0.328 55.723 56.287 -0.393 0.000 0.895 1110 K CB 0.982 33.150 32.500 -0.553 0.000 1.060 1110 K HN 0.008 nan 8.250 nan 0.000 0.448 1111 E N 2.740 122.645 120.200 -0.491 0.000 2.105 1111 E HA 0.116 4.464 4.350 -0.003 0.000 0.285 1111 E C -1.292 175.007 176.600 -0.502 0.000 1.055 1111 E CA -0.181 55.993 56.400 -0.377 0.000 0.843 1111 E CB 0.492 30.045 29.700 -0.244 0.000 1.067 1111 E HN 0.335 nan 8.360 nan 0.000 0.398 1112 Y N 1.474 121.734 120.300 -0.066 0.000 2.630 1112 Y HA 0.334 4.883 4.550 -0.002 0.000 0.337 1112 Y C -0.678 175.203 175.900 -0.032 0.000 1.051 1112 Y CA -0.867 57.221 58.100 -0.019 0.000 1.121 1112 Y CB 1.106 39.673 38.460 0.180 0.000 1.299 1112 Y HN 0.396 nan 8.280 nan 0.000 0.498 1113 Y N 1.562 122.028 120.300 0.277 0.000 2.331 1113 Y HA 0.373 4.921 4.550 -0.003 0.000 0.338 1113 Y C -0.012 175.921 175.900 0.055 0.000 0.976 1113 Y CA -0.764 57.408 58.100 0.119 0.000 1.137 1113 Y CB 1.431 39.880 38.460 -0.019 0.000 1.172 1113 Y HN 0.386 nan 8.280 nan 0.000 0.478 1114 M N 6.856 126.605 119.600 0.249 0.000 2.077 1114 M HA 0.452 4.930 4.480 -0.003 0.000 0.348 1114 M C -1.302 175.048 176.300 0.082 0.000 1.252 1114 M CA -0.723 54.584 55.300 0.012 0.000 1.096 1114 M CB 0.064 32.701 32.600 0.062 0.000 1.568 1114 M HN 0.489 nan 8.290 nan 0.000 0.456 1115 V N 3.247 123.109 119.914 -0.086 0.000 2.628 1115 V HA 0.586 4.704 4.120 -0.003 0.000 0.306 1115 V C -0.642 175.406 176.094 -0.077 0.000 1.045 1115 V CA -0.927 61.364 62.300 -0.014 0.000 0.905 1115 V CB 1.777 33.463 31.823 -0.228 0.000 0.997 1115 V HN 0.883 nan 8.190 nan 0.000 0.436 1116 N N 2.455 121.022 118.700 -0.223 0.000 2.455 1116 N HA 0.257 4.995 4.740 -0.003 0.000 0.280 1116 N C 0.597 175.851 175.510 -0.427 0.000 1.055 1116 N CA -0.444 52.175 53.050 -0.718 0.000 0.961 1116 N CB 1.674 39.553 38.487 -1.014 0.000 1.121 1116 N HN 0.788 nan 8.380 nan 0.000 0.476 1117 I N 2.903 123.205 120.570 -0.447 0.000 2.657 1117 I HA -0.177 3.991 4.170 -0.003 0.000 0.261 1117 I C 1.149 177.045 176.117 -0.368 0.000 1.212 1117 I CA 1.024 62.096 61.300 -0.382 0.000 1.453 1117 I CB -0.168 37.528 38.000 -0.507 0.000 1.092 1117 I HN 0.543 nan 8.210 nan 0.000 0.452 1118 D N -1.305 118.874 120.400 -0.368 0.000 2.349 1118 D HA 0.009 4.647 4.640 -0.003 0.000 0.215 1118 D C -0.349 175.562 176.300 -0.649 0.000 1.016 1118 D CA 0.733 54.468 54.000 -0.442 0.000 0.870 1118 D CB 0.154 40.726 40.800 -0.381 0.000 0.917 1118 D HN 0.291 nan 8.370 nan 0.000 0.524 1119 Y N -0.084 120.050 120.300 -0.278 0.000 2.516 1119 Y HA 0.247 4.796 4.550 -0.002 0.000 0.329 1119 Y C 0.857 176.677 175.900 -0.133 0.000 1.095 1119 Y CA -0.310 57.666 58.100 -0.207 0.000 1.213 1119 Y CB 0.230 38.530 38.460 -0.266 0.000 1.109 1119 Y HN -0.222 nan 8.280 nan 0.000 0.630 1120 L N 0.210 121.434 121.223 0.002 0.000 2.291 1120 L HA -0.137 4.201 4.340 -0.003 0.000 0.214 1120 L C 1.063 177.992 176.870 0.097 0.000 1.120 1120 L CA 1.045 55.929 54.840 0.073 0.000 0.799 1120 L CB -0.177 41.923 42.059 0.068 0.000 0.925 1120 L HN 0.565 nan 8.230 nan 0.000 0.446 1121 N N -0.008 118.726 118.700 0.056 0.000 2.416 1121 N HA 0.010 4.749 4.740 -0.003 0.000 0.215 1121 N C -0.110 175.455 175.510 0.091 0.000 1.208 1121 N CA 0.115 53.195 53.050 0.050 0.000 0.834 1121 N CB 0.089 38.587 38.487 0.018 0.000 1.072 1121 N HN 0.064 nan 8.380 nan 0.000 0.472 1122 R N 0.951 121.532 120.500 0.135 0.000 2.575 1122 R HA 0.229 4.567 4.340 -0.003 0.000 0.293 1122 R C -1.120 175.307 176.300 0.211 0.000 0.983 1122 R CA -0.763 55.412 56.100 0.125 0.000 0.887 1122 R CB 0.929 31.316 30.300 0.146 0.000 1.184 1122 R HN 0.360 nan 8.270 nan 0.000 0.445 1123 Y N -0.243 120.135 120.300 0.131 0.000 2.453 1123 Y HA 0.611 5.159 4.550 -0.003 0.000 0.326 1123 Y C 0.104 176.030 175.900 0.043 0.000 1.186 1123 Y CA -1.348 56.792 58.100 0.066 0.000 1.200 1123 Y CB 1.095 39.530 38.460 -0.043 0.000 1.247 1123 Y HN 0.480 nan 8.280 nan 0.000 0.482 1124 M N 4.192 123.910 119.600 0.197 0.000 2.080 1124 M HA 0.312 4.790 4.480 -0.003 0.000 0.350 1124 M C -1.884 174.475 176.300 0.097 0.000 1.173 1124 M CA -0.328 54.881 55.300 -0.151 0.000 1.052 1124 M CB 0.328 32.823 32.600 -0.175 0.000 1.577 1124 M HN 0.916 nan 8.290 nan 0.000 0.455 1125 Y N 3.470 123.643 120.300 -0.211 0.000 2.772 1125 Y HA 0.849 5.397 4.550 -0.003 0.000 0.324 1125 Y C -0.913 174.978 175.900 -0.016 0.000 1.169 1125 Y CA -0.860 57.145 58.100 -0.159 0.000 1.198 1125 Y CB 1.743 40.132 38.460 -0.118 0.000 1.402 1125 Y HN 0.662 nan 8.280 nan 0.000 0.577 1126 A N 1.412 124.121 122.820 -0.185 0.000 2.539 1126 A HA 0.581 4.900 4.320 -0.003 0.000 0.296 1126 A C -1.344 176.141 177.584 -0.165 0.000 1.073 1126 A CA -0.515 51.437 52.037 -0.143 0.000 0.700 1126 A CB 1.639 20.544 19.000 -0.158 0.000 1.296 1126 A HN 0.920 nan 8.150 nan 0.000 0.405 1127 N N -0.592 118.014 118.700 -0.157 0.000 2.876 1127 N HA 0.203 4.941 4.740 -0.003 0.000 0.241 1127 N C -0.223 175.211 175.510 -0.126 0.000 1.564 1127 N CA -0.232 52.746 53.050 -0.119 0.000 0.976 1127 N CB 0.895 39.272 38.487 -0.183 0.000 2.134 1127 N HN 0.448 nan 8.380 nan 0.000 0.378 1128 S N 1.551 117.182 115.700 -0.115 0.000 4.027 1128 S HA 0.112 4.580 4.470 -0.003 0.000 0.188 1128 S C -0.247 174.314 174.600 -0.065 0.000 1.230 1128 S CA 0.278 58.439 58.200 -0.065 0.000 0.920 1128 S CB -0.865 62.316 63.200 -0.031 0.000 1.577 1128 S HN 0.396 nan 8.310 nan 0.000 0.445 1129 R N 0.285 120.721 120.500 -0.106 0.000 3.516 1129 R HA -0.202 4.136 4.340 -0.003 0.000 0.271 1129 R C -0.191 176.068 176.300 -0.068 0.000 1.098 1129 R CA 0.475 56.516 56.100 -0.098 0.000 0.732 1129 R CB -1.289 29.020 30.300 0.015 0.000 1.152 1129 R HN 0.510 nan 8.270 nan 0.000 0.455 1130 Q N 0.856 120.567 119.800 -0.148 0.000 2.304 1130 Q HA 0.355 4.694 4.340 -0.003 0.000 0.270 1130 Q C -0.713 175.140 176.000 -0.244 0.000 1.035 1130 Q CA -0.821 54.859 55.803 -0.205 0.000 0.781 1130 Q CB 1.124 29.687 28.738 -0.293 0.000 1.261 1130 Q HN 0.174 nan 8.270 nan 0.000 0.444 1131 I N 5.110 125.540 120.570 -0.233 0.000 2.517 1131 I HA 0.227 4.396 4.170 -0.003 0.000 0.285 1131 I C 0.211 176.162 176.117 -0.276 0.000 1.106 1131 I CA -0.114 61.038 61.300 -0.246 0.000 1.402 1131 I CB -0.133 37.731 38.000 -0.228 0.000 1.399 1131 I HN 0.544 nan 8.210 nan 0.000 0.535 1132 V N 4.201 123.944 119.914 -0.285 0.000 2.914 1132 V HA 0.607 4.726 4.120 -0.003 0.000 0.314 1132 V C -0.940 174.965 176.094 -0.316 0.000 1.084 1132 V CA -0.916 61.263 62.300 -0.202 0.000 0.963 1132 V CB 2.189 33.928 31.823 -0.141 0.000 1.025 1132 V HN 0.374 nan 8.190 nan 0.000 0.432 1133 F N 3.001 122.877 119.950 -0.123 0.000 2.347 1133 F HA 0.554 5.080 4.527 -0.002 0.000 0.366 1133 F C 0.519 176.141 175.800 -0.298 0.000 1.107 1133 F CA -0.405 57.475 58.000 -0.200 0.000 1.058 1133 F CB 1.337 40.215 39.000 -0.202 0.000 1.236 1133 F HN 0.551 nan 8.300 nan 0.000 0.456 1134 N N 1.569 119.990 118.700 -0.465 0.000 2.487 1134 N HA 0.215 4.954 4.740 -0.003 0.000 0.292 1134 N C -0.311 174.848 175.510 -0.584 0.000 1.108 1134 N CA -0.460 52.230 53.050 -0.600 0.000 0.956 1134 N CB 1.399 39.357 38.487 -0.882 0.000 1.176 1134 N HN 0.340 nan 8.380 nan 0.000 0.484 1135 T N 2.008 116.422 114.554 -0.233 0.000 2.829 1135 T HA 0.023 4.371 4.350 -0.003 0.000 0.293 1135 T C 0.848 175.581 174.700 0.055 0.000 0.970 1135 T CA -0.086 61.976 62.100 -0.064 0.000 1.168 1135 T CB -0.091 68.773 68.868 -0.007 0.000 0.911 1135 T HN 0.369 nan 8.240 nan 0.000 0.535 1136 R N 3.258 123.862 120.500 0.174 0.000 2.643 1136 R HA 0.300 4.639 4.340 -0.003 0.000 0.270 1136 R C 0.745 177.127 176.300 0.138 0.000 1.061 1136 R CA -0.401 55.902 56.100 0.338 0.000 1.107 1136 R CB 0.824 31.276 30.300 0.252 0.000 0.999 1136 R HN 0.539 nan 8.270 nan 0.000 0.460 1137 R N 0.549 121.101 120.500 0.087 0.000 2.246 1137 R HA 0.078 4.417 4.340 -0.003 0.000 0.199 1137 R C -0.244 176.056 176.300 -0.001 0.000 0.984 1137 R CA 0.400 56.516 56.100 0.027 0.000 1.015 1137 R CB 0.237 30.538 30.300 0.001 0.000 0.930 1137 R HN 0.638 nan 8.270 nan 0.000 0.475 1138 N N 0.947 119.640 118.700 -0.012 0.000 3.012 1138 N HA 0.106 4.845 4.740 -0.003 0.000 0.270 1138 N C -0.394 175.088 175.510 -0.047 0.000 1.469 1138 N CA -0.191 52.844 53.050 -0.025 0.000 0.928 1138 N CB 0.749 39.220 38.487 -0.027 0.000 1.219 1138 N HN 0.045 nan 8.380 nan 0.000 0.492 1139 N N 1.468 120.141 118.700 -0.045 0.000 2.096 1139 N HA -0.183 4.555 4.740 -0.003 0.000 0.195 1139 N C 0.482 175.917 175.510 -0.124 0.000 1.017 1139 N CA 1.237 54.240 53.050 -0.078 0.000 0.870 1139 N CB -0.002 38.453 38.487 -0.053 0.000 1.024 1139 N HN 0.548 nan 8.380 nan 0.000 0.434 1140 N N 0.471 119.125 118.700 -0.077 0.000 2.501 1140 N HA 0.005 4.743 4.740 -0.003 0.000 0.195 1140 N C -0.638 174.832 175.510 -0.067 0.000 1.213 1140 N CA 0.230 53.241 53.050 -0.064 0.000 0.864 1140 N CB 0.303 38.779 38.487 -0.018 0.000 0.999 1140 N HN 0.206 nan 8.380 nan 0.000 0.454 1141 D N -0.684 119.650 120.400 -0.110 0.000 2.596 1141 D HA 0.206 4.844 4.640 -0.003 0.000 0.234 1141 D C -1.072 175.172 176.300 -0.092 0.000 1.181 1141 D CA -0.464 53.506 54.000 -0.050 0.000 0.856 1141 D CB 1.533 42.341 40.800 0.012 0.000 1.498 1141 D HN -0.053 nan 8.370 nan 0.000 0.446 1142 F N 2.125 122.105 119.950 0.049 0.000 2.532 1142 F HA 0.141 4.666 4.527 -0.003 0.000 0.313 1142 F C 0.689 176.376 175.800 -0.187 0.000 1.301 1142 F CA -0.530 57.447 58.000 -0.039 0.000 1.154 1142 F CB 0.251 39.325 39.000 0.123 0.000 1.335 1142 F HN 0.270 nan 8.300 nan 0.000 0.542 1143 N N -0.776 117.861 118.700 -0.105 0.000 2.297 1143 N HA 0.380 5.118 4.740 -0.003 0.000 0.173 1143 N C -0.159 175.057 175.510 -0.490 0.000 1.566 1143 N CA -0.465 52.456 53.050 -0.216 0.000 1.092 1143 N CB -0.012 38.512 38.487 0.062 0.000 1.459 1143 N HN 0.156 nan 8.380 nan 0.000 0.310 1144 E N -0.780 119.281 120.200 -0.232 0.000 3.900 1144 E HA -0.122 4.226 4.350 -0.003 0.000 0.233 1144 E C 0.631 177.040 176.600 -0.319 0.000 1.517 1144 E CA 1.251 57.419 56.400 -0.387 0.000 2.421 1144 E CB -1.508 27.841 29.700 -0.584 0.000 2.116 1144 E HN 0.967 nan 8.360 nan 0.000 0.445 1145 G N -0.815 107.651 108.800 -0.557 0.000 2.649 1145 G HA2 -0.296 3.663 3.960 -0.003 0.000 0.413 1145 G HA3 -0.296 3.663 3.960 -0.003 0.000 0.413 1145 G C -0.605 174.405 174.900 0.184 0.000 1.335 1145 G CA 0.609 45.718 45.100 0.016 0.000 0.917 1145 G HN 0.439 nan 8.290 nan 0.000 0.552 1146 Y N 0.253 120.743 120.300 0.317 0.000 2.419 1146 Y HA 0.523 5.071 4.550 -0.003 0.000 0.328 1146 Y C 1.117 177.165 175.900 0.247 0.000 1.162 1146 Y CA -0.934 57.294 58.100 0.213 0.000 1.174 1146 Y CB 1.561 40.058 38.460 0.061 0.000 1.228 1146 Y HN 0.434 nan 8.280 nan 0.000 0.473 1147 K N 2.223 122.817 120.400 0.323 0.000 2.095 1147 K HA 0.521 4.839 4.320 -0.003 0.000 0.252 1147 K C -1.097 175.584 176.600 0.136 0.000 0.977 1147 K CA -0.687 55.683 56.287 0.138 0.000 0.900 1147 K CB 1.214 33.684 32.500 -0.049 0.000 1.060 1147 K HN 0.349 nan 8.250 nan 0.000 0.449 1148 I N 1.974 122.635 120.570 0.152 0.000 2.846 1148 I HA 0.453 4.622 4.170 -0.003 0.000 0.307 1148 I C -0.410 175.793 176.117 0.143 0.000 1.053 1148 I CA -0.787 60.628 61.300 0.192 0.000 1.050 1148 I CB 1.787 39.977 38.000 0.317 0.000 1.239 1148 I HN 0.546 nan 8.210 nan 0.000 0.439 1149 I N 5.121 125.758 120.570 0.112 0.000 2.512 1149 I HA 0.362 4.531 4.170 -0.003 0.000 0.287 1149 I C -0.454 175.635 176.117 -0.048 0.000 1.069 1149 I CA -0.532 60.775 61.300 0.011 0.000 1.056 1149 I CB 2.335 40.310 38.000 -0.042 0.000 1.229 1149 I HN 0.292 nan 8.210 nan 0.000 0.429 1150 I N 6.542 127.051 120.570 -0.103 0.000 2.379 1150 I HA 0.183 4.351 4.170 -0.003 0.000 0.290 1150 I C -0.000 176.011 176.117 -0.176 0.000 1.063 1150 I CA -0.453 60.671 61.300 -0.293 0.000 1.351 1150 I CB 0.157 37.923 38.000 -0.389 0.000 1.410 1150 I HN 0.295 nan 8.210 nan 0.000 0.505 1151 K N 7.063 127.150 120.400 -0.522 0.000 2.213 1151 K HA 0.378 4.696 4.320 -0.003 0.000 0.270 1151 K C -0.249 176.019 176.600 -0.553 0.000 1.002 1151 K CA -0.673 55.224 56.287 -0.650 0.000 0.868 1151 K CB 1.767 33.395 32.500 -1.454 0.000 1.093 1151 K HN 0.556 nan 8.250 nan 0.000 0.454 1152 R N 3.875 123.970 120.500 -0.675 0.000 2.298 1152 R HA 0.226 4.564 4.340 -0.003 0.000 0.310 1152 R C 0.527 176.626 176.300 -0.335 0.000 1.068 1152 R CA -0.050 55.567 56.100 -0.804 0.000 0.957 1152 R CB 0.341 29.715 30.300 -1.544 0.000 1.003 1152 R HN 0.668 nan 8.270 nan 0.000 0.454 1153 I N 3.093 123.543 120.570 -0.199 0.000 2.685 1153 I HA 0.070 4.238 4.170 -0.003 0.000 0.251 1153 I C 0.264 176.258 176.117 -0.206 0.000 1.102 1153 I CA 0.108 61.334 61.300 -0.122 0.000 1.442 1153 I CB 0.204 38.136 38.000 -0.112 0.000 1.194 1153 I HN 0.551 nan 8.210 nan 0.000 0.448 1154 R N 0.621 120.989 120.500 -0.221 0.000 2.510 1154 R HA 0.695 5.034 4.340 -0.003 0.000 0.287 1154 R C -0.794 175.424 176.300 -0.137 0.000 1.084 1154 R CA -0.297 55.687 56.100 -0.192 0.000 0.934 1154 R CB 1.180 31.336 30.300 -0.239 0.000 1.201 1154 R HN 0.149 nan 8.270 nan 0.000 0.431 1155 G N 1.531 110.261 108.800 -0.115 0.000 2.795 1155 G HA2 0.155 4.113 3.960 -0.003 0.000 0.127 1155 G HA3 0.155 4.113 3.960 -0.003 0.000 0.127 1155 G C -1.407 173.460 174.900 -0.055 0.000 1.203 1155 G CA -0.803 44.260 45.100 -0.061 0.000 1.145 1155 G HN 0.645 nan 8.290 nan 0.000 0.580 1156 N N 0.852 119.531 118.700 -0.035 0.000 2.527 1156 N HA 0.329 5.067 4.740 -0.003 0.000 0.236 1156 N C 1.652 177.132 175.510 -0.050 0.000 0.999 1156 N CA 0.433 53.459 53.050 -0.041 0.000 0.935 1156 N CB 1.080 39.543 38.487 -0.040 0.000 1.132 1156 N HN 0.524 nan 8.380 nan 0.000 0.511 1157 T N 0.878 115.396 114.554 -0.060 0.000 2.822 1157 T HA -0.222 4.126 4.350 -0.003 0.000 0.270 1157 T C 1.175 175.845 174.700 -0.051 0.000 1.064 1157 T CA 1.364 63.426 62.100 -0.063 0.000 1.131 1157 T CB -0.406 68.430 68.868 -0.054 0.000 0.858 1157 T HN 0.567 nan 8.240 nan 0.000 0.483 1158 N N 1.406 120.079 118.700 -0.046 0.000 2.120 1158 N HA -0.033 4.705 4.740 -0.003 0.000 0.188 1158 N C 0.281 175.766 175.510 -0.042 0.000 1.024 1158 N CA 1.085 54.109 53.050 -0.043 0.000 0.852 1158 N CB -0.018 38.440 38.487 -0.049 0.000 1.003 1158 N HN 0.491 nan 8.380 nan 0.000 0.424 1159 D N -1.471 118.904 120.400 -0.041 0.000 2.588 1159 D HA 0.200 4.839 4.640 -0.003 0.000 0.268 1159 D C 0.729 177.037 176.300 0.013 0.000 1.176 1159 D CA 0.049 54.031 54.000 -0.031 0.000 1.080 1159 D CB 1.004 41.771 40.800 -0.055 0.000 1.186 1159 D HN 0.063 nan 8.370 nan 0.000 0.619 1160 T N -3.240 111.338 114.554 0.041 0.000 3.170 1160 T HA 0.302 4.650 4.350 -0.003 0.000 0.288 1160 T C 0.571 175.357 174.700 0.142 0.000 0.992 1160 T CA -0.467 61.713 62.100 0.134 0.000 0.909 1160 T CB 0.356 69.261 68.868 0.063 0.000 1.133 1160 T HN 0.061 nan 8.240 nan 0.000 0.530 1161 R N 0.924 121.445 120.500 0.036 0.000 2.490 1161 R HA 0.641 4.979 4.340 -0.003 0.000 0.278 1161 R C -0.575 175.651 176.300 -0.123 0.000 1.069 1161 R CA -0.656 55.389 56.100 -0.092 0.000 1.080 1161 R CB 1.150 31.377 30.300 -0.123 0.000 1.030 1161 R HN 0.079 nan 8.270 nan 0.000 0.491 1162 V N 2.683 122.393 119.914 -0.340 0.000 2.617 1162 V HA 0.411 4.530 4.120 -0.003 0.000 0.298 1162 V C 0.319 176.322 176.094 -0.151 0.000 1.048 1162 V CA -0.514 61.556 62.300 -0.383 0.000 0.964 1162 V CB 1.450 32.901 31.823 -0.619 0.000 1.004 1162 V HN 0.680 nan 8.190 nan 0.000 0.466 1163 R N 1.268 121.735 120.500 -0.054 0.000 2.725 1163 R HA 0.565 4.904 4.340 -0.003 0.000 0.277 1163 R C 0.078 176.383 176.300 0.008 0.000 0.987 1163 R CA -0.611 55.472 56.100 -0.028 0.000 0.901 1163 R CB 2.015 32.303 30.300 -0.021 0.000 1.207 1163 R HN 0.953 nan 8.270 nan 0.000 0.463 1164 G N -0.163 108.648 108.800 0.019 0.000 2.391 1164 G HA2 0.304 4.263 3.960 -0.003 0.000 0.234 1164 G HA3 0.304 4.263 3.960 -0.003 0.000 0.234 1164 G C 0.943 175.872 174.900 0.048 0.000 1.284 1164 G CA 0.794 45.926 45.100 0.052 0.000 0.873 1164 G HN 0.825 nan 8.290 nan 0.000 0.549 1165 G N 1.806 110.648 108.800 0.070 0.000 2.268 1165 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.240 1165 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.240 1165 G C 0.307 175.231 174.900 0.040 0.000 1.010 1165 G CA 0.381 45.509 45.100 0.046 0.000 0.618 1165 G HN 0.850 nan 8.290 nan 0.000 0.516 1166 D N 0.902 121.332 120.400 0.051 0.000 2.455 1166 D HA 0.444 5.082 4.640 -0.003 0.000 0.241 1166 D C 0.604 176.935 176.300 0.052 0.000 1.138 1166 D CA 0.225 54.255 54.000 0.050 0.000 0.877 1166 D CB 0.677 41.544 40.800 0.111 0.000 1.187 1166 D HN 0.246 nan 8.370 nan 0.000 0.451 1167 I N 3.224 123.790 120.570 -0.007 0.000 2.428 1167 I HA 0.416 4.584 4.170 -0.003 0.000 0.296 1167 I C -0.098 176.010 176.117 -0.015 0.000 0.985 1167 I CA -0.455 60.836 61.300 -0.016 0.000 1.260 1167 I CB 0.918 38.844 38.000 -0.124 0.000 1.389 1167 I HN 0.226 nan 8.210 nan 0.000 0.484 1168 L N 4.586 125.836 121.223 0.045 0.000 2.963 1168 L HA 0.738 5.076 4.340 -0.003 0.000 0.273 1168 L C -1.315 175.625 176.870 0.117 0.000 1.078 1168 L CA -1.098 53.747 54.840 0.008 0.000 0.970 1168 L CB 0.904 42.921 42.059 -0.071 0.000 1.564 1168 L HN 0.553 nan 8.230 nan 0.000 0.381 1169 Y N -1.812 118.394 120.300 -0.156 0.000 2.644 1169 Y HA 0.886 5.435 4.550 -0.003 0.000 0.338 1169 Y C -1.724 173.990 175.900 -0.310 0.000 1.119 1169 Y CA -1.792 56.293 58.100 -0.024 0.000 1.060 1169 Y CB 1.264 39.790 38.460 0.110 0.000 1.294 1169 Y HN 0.434 nan 8.280 nan 0.000 0.472 1170 F N 0.852 120.941 119.950 0.232 0.000 2.508 1170 F HA 0.548 5.073 4.527 -0.003 0.000 0.325 1170 F C -0.790 175.104 175.800 0.157 0.000 1.090 1170 F CA -0.800 57.238 58.000 0.064 0.000 0.945 1170 F CB 1.718 40.736 39.000 0.030 0.000 1.156 1170 F HN 0.406 nan 8.300 nan 0.000 0.463 1171 D N 2.698 123.231 120.400 0.222 0.000 2.375 1171 D HA 0.432 5.071 4.640 -0.003 0.000 0.247 1171 D C -0.975 175.421 176.300 0.161 0.000 1.061 1171 D CA -0.244 53.878 54.000 0.203 0.000 0.834 1171 D CB 2.114 42.990 40.800 0.127 0.000 1.247 1171 D HN 0.509 nan 8.370 nan 0.000 0.489 1172 M N 1.823 121.517 119.600 0.158 0.000 2.142 1172 M HA 0.322 4.801 4.480 -0.003 0.000 0.299 1172 M C -1.206 175.144 176.300 0.083 0.000 0.960 1172 M CA -0.324 55.024 55.300 0.080 0.000 0.920 1172 M CB 1.272 33.883 32.600 0.019 0.000 1.541 1172 M HN 0.112 nan 8.290 nan 0.000 0.429 1173 T N 6.020 120.590 114.554 0.026 0.000 2.767 1173 T HA 0.450 4.799 4.350 -0.003 0.000 0.288 1173 T C 0.850 175.475 174.700 -0.125 0.000 0.963 1173 T CA -0.386 61.736 62.100 0.037 0.000 1.019 1173 T CB 1.054 69.931 68.868 0.016 0.000 0.923 1173 T HN 0.631 nan 8.240 nan 0.000 0.468 1174 I N 2.085 122.588 120.570 -0.113 0.000 3.904 1174 I HA 0.108 4.276 4.170 -0.003 0.000 0.235 1174 I C 2.237 178.292 176.117 -0.103 0.000 1.062 1174 I CA -0.119 60.945 61.300 -0.393 0.000 1.574 1174 I CB -0.104 37.512 38.000 -0.640 0.000 1.503 1174 I HN 0.439 nan 8.210 nan 0.000 0.463 1175 N N 1.078 119.792 118.700 0.023 0.000 2.025 1175 N HA -0.122 4.616 4.740 -0.003 0.000 0.194 1175 N C 1.078 176.613 175.510 0.042 0.000 1.069 1175 N CA 1.894 54.976 53.050 0.052 0.000 0.855 1175 N CB 0.117 38.656 38.487 0.087 0.000 1.054 1175 N HN 0.230 nan 8.380 nan 0.000 0.427 1176 N N -1.926 116.798 118.700 0.040 0.000 1.863 1176 N HA 0.051 4.789 4.740 -0.003 0.000 0.226 1176 N C -1.288 174.212 175.510 -0.016 0.000 1.421 1176 N CA 0.002 53.059 53.050 0.012 0.000 0.746 1176 N CB 0.879 39.370 38.487 0.007 0.000 1.059 1176 N HN 0.176 nan 8.380 nan 0.000 0.518 1177 K N 1.272 121.656 120.400 -0.028 0.000 2.183 1177 K HA 0.612 4.931 4.320 -0.003 0.000 0.274 1177 K C -0.270 176.202 176.600 -0.214 0.000 1.009 1177 K CA -0.398 55.784 56.287 -0.175 0.000 0.888 1177 K CB 2.110 34.422 32.500 -0.314 0.000 1.078 1177 K HN -0.025 nan 8.250 nan 0.000 0.459 1178 A N 3.594 126.294 122.820 -0.200 0.000 2.366 1178 A HA 0.409 4.727 4.320 -0.003 0.000 0.272 1178 A C -1.062 176.412 177.584 -0.183 0.000 1.135 1178 A CA -0.277 51.717 52.037 -0.072 0.000 0.804 1178 A CB -0.007 18.983 19.000 -0.017 0.000 1.064 1178 A HN 0.584 nan 8.150 nan 0.000 0.499 1179 Y N 0.696 120.992 120.300 -0.007 0.000 2.567 1179 Y HA 0.376 4.924 4.550 -0.003 0.000 0.333 1179 Y C 0.561 176.513 175.900 0.086 0.000 1.106 1179 Y CA -1.011 57.099 58.100 0.017 0.000 1.157 1179 Y CB 1.576 40.033 38.460 -0.005 0.000 1.277 1179 Y HN 0.726 nan 8.280 nan 0.000 0.490 1180 N N 1.154 120.016 118.700 0.270 0.000 2.421 1180 N HA 0.458 5.196 4.740 -0.003 0.000 0.285 1180 N C -1.414 174.314 175.510 0.364 0.000 1.027 1180 N CA -0.696 52.533 53.050 0.299 0.000 0.918 1180 N CB 1.118 39.725 38.487 0.200 0.000 1.152 1180 N HN 0.332 nan 8.380 nan 0.000 0.485 1181 L N 3.659 125.114 121.223 0.386 0.000 2.367 1181 L HA 0.371 4.710 4.340 -0.003 0.000 0.275 1181 L C -0.326 176.841 176.870 0.496 0.000 1.129 1181 L CA -0.127 54.917 54.840 0.339 0.000 0.839 1181 L CB -0.317 41.855 42.059 0.189 0.000 1.133 1181 L HN 0.558 nan 8.230 nan 0.000 0.453 1182 F N 1.677 121.749 119.950 0.203 0.000 2.643 1182 F HA 0.602 5.128 4.527 -0.002 0.000 0.314 1182 F C -0.654 175.258 175.800 0.187 0.000 1.096 1182 F CA -1.320 56.806 58.000 0.210 0.000 0.953 1182 F CB 1.818 40.889 39.000 0.118 0.000 1.345 1182 F HN 0.280 nan 8.300 nan 0.000 0.468 1183 M N 3.875 123.476 119.600 0.001 0.000 2.084 1183 M HA 0.319 4.798 4.480 -0.003 0.000 0.351 1183 M C -0.788 175.364 176.300 -0.247 0.000 1.240 1183 M CA -0.314 54.914 55.300 -0.119 0.000 1.083 1183 M CB 0.700 33.302 32.600 0.004 0.000 1.593 1183 M HN 0.723 nan 8.290 nan 0.000 0.463 1184 K N 2.581 122.749 120.400 -0.386 0.000 2.258 1184 K HA 0.062 4.380 4.320 -0.003 0.000 0.264 1184 K C 0.278 176.916 176.600 0.064 0.000 1.007 1184 K CA -0.238 55.960 56.287 -0.147 0.000 0.941 1184 K CB 0.530 32.956 32.500 -0.123 0.000 0.966 1184 K HN 0.575 nan 8.250 nan 0.000 0.480 1185 N N 1.834 120.611 118.700 0.128 0.000 2.279 1185 N HA -0.004 4.734 4.740 -0.003 0.000 0.226 1185 N C -0.872 174.755 175.510 0.194 0.000 1.126 1185 N CA 0.101 53.212 53.050 0.102 0.000 0.846 1185 N CB 0.417 38.935 38.487 0.052 0.000 1.050 1185 N HN 0.448 nan 8.380 nan 0.000 0.502 1186 E N -0.079 120.243 120.200 0.203 0.000 2.277 1186 E HA 0.138 4.487 4.350 -0.003 0.000 0.274 1186 E C 0.097 176.760 176.600 0.105 0.000 1.022 1186 E CA -0.455 56.035 56.400 0.150 0.000 0.853 1186 E CB 0.918 30.700 29.700 0.137 0.000 1.086 1186 E HN 0.286 nan 8.360 nan 0.000 0.397 1187 T N 0.146 114.716 114.554 0.027 0.000 2.926 1187 T HA 0.225 4.573 4.350 -0.003 0.000 0.307 1187 T C 0.409 174.974 174.700 -0.226 0.000 1.059 1187 T CA -0.659 61.363 62.100 -0.131 0.000 1.122 1187 T CB 0.513 69.269 68.868 -0.186 0.000 0.972 1187 T HN 0.203 nan 8.240 nan 0.000 0.545 1188 M N 1.446 120.827 119.600 -0.366 0.000 2.494 1188 M HA 0.428 4.907 4.480 -0.003 0.000 0.300 1188 M C -1.107 174.926 176.300 -0.446 0.000 1.189 1188 M CA -0.901 54.179 55.300 -0.366 0.000 0.982 1188 M CB 0.975 33.286 32.600 -0.482 0.000 1.534 1188 M HN 0.792 nan 8.290 nan 0.000 0.488 1189 Y N -0.180 120.082 120.300 -0.064 0.000 2.317 1189 Y HA 0.602 5.150 4.550 -0.003 0.000 0.325 1189 Y C -0.231 175.769 175.900 0.165 0.000 1.066 1189 Y CA -0.821 57.288 58.100 0.014 0.000 1.203 1189 Y CB 1.555 39.958 38.460 -0.096 0.000 1.127 1189 Y HN 0.743 nan 8.280 nan 0.000 0.451 1190 A N 2.266 125.216 122.820 0.218 0.000 2.337 1190 A HA 0.586 4.905 4.320 -0.003 0.000 0.331 1190 A C -0.090 177.396 177.584 -0.164 0.000 1.137 1190 A CA -0.588 51.439 52.037 -0.016 0.000 0.807 1190 A CB 0.937 19.917 19.000 -0.033 0.000 1.250 1190 A HN 0.752 nan 8.150 nan 0.000 0.468 1191 D N 0.709 120.892 120.400 -0.362 0.000 2.087 1191 D HA -0.107 4.531 4.640 -0.003 0.000 0.218 1191 D C 1.217 177.306 176.300 -0.351 0.000 0.982 1191 D CA 2.130 55.939 54.000 -0.319 0.000 0.900 1191 D CB -0.100 40.524 40.800 -0.294 0.000 1.072 1191 D HN 0.652 nan 8.370 nan 0.000 0.459 1192 N N -0.351 118.031 118.700 -0.529 0.000 2.207 1192 N HA -0.039 4.699 4.740 -0.003 0.000 0.182 1192 N C 0.447 175.877 175.510 -0.133 0.000 1.020 1192 N CA 0.623 53.532 53.050 -0.234 0.000 0.858 1192 N CB -0.206 38.249 38.487 -0.054 0.000 0.991 1192 N HN 0.327 nan 8.380 nan 0.000 0.427 1193 H N -0.320 118.733 119.070 -0.027 0.000 2.355 1193 H HA 0.215 4.770 4.556 -0.003 0.000 0.367 1193 H C 0.510 175.841 175.328 0.004 0.000 1.912 1193 H CA 0.018 56.055 56.048 -0.018 0.000 1.424 1193 H CB -0.385 29.351 29.762 -0.043 0.000 1.612 1193 H HN -0.033 nan 8.280 nan 0.000 0.557 1194 S N -1.908 113.886 115.700 0.157 0.000 2.766 1194 S HA 0.342 4.810 4.470 -0.003 0.000 0.307 1194 S C 0.605 175.275 174.600 0.117 0.000 1.121 1194 S CA -0.322 57.928 58.200 0.084 0.000 0.980 1194 S CB 1.192 64.424 63.200 0.053 0.000 1.159 1194 S HN 0.629 nan 8.310 nan 0.000 0.546 1195 T N 0.954 115.519 114.554 0.018 0.000 3.040 1195 T HA 0.224 4.572 4.350 -0.003 0.000 0.266 1195 T C 1.016 175.652 174.700 -0.106 0.000 1.005 1195 T CA 0.335 62.405 62.100 -0.050 0.000 0.906 1195 T CB -0.216 68.537 68.868 -0.191 0.000 1.082 1195 T HN 0.761 nan 8.240 nan 0.000 0.531 1196 E N 2.256 122.426 120.200 -0.050 0.000 3.615 1196 E HA -0.300 4.049 4.350 -0.003 0.000 0.480 1196 E C -0.366 176.171 176.600 -0.104 0.000 1.619 1196 E CA 2.404 58.778 56.400 -0.044 0.000 1.262 1196 E CB -0.329 29.375 29.700 0.005 0.000 1.130 1196 E HN 0.360 nan 8.360 nan 0.000 0.365 1197 D N 0.368 120.708 120.400 -0.100 0.000 3.010 1197 D HA 0.195 4.833 4.640 -0.003 0.000 0.347 1197 D C -0.615 175.473 176.300 -0.355 0.000 1.340 1197 D CA -0.219 53.676 54.000 -0.176 0.000 0.858 1197 D CB 0.205 41.045 40.800 0.068 0.000 1.111 1197 D HN 0.093 nan 8.370 nan 0.000 0.482 1198 I N 1.202 121.483 120.570 -0.481 0.000 2.365 1198 I HA 0.240 4.408 4.170 -0.003 0.000 0.291 1198 I C -0.320 175.358 176.117 -0.733 0.000 1.004 1198 I CA -0.478 60.571 61.300 -0.420 0.000 1.311 1198 I CB 0.180 38.004 38.000 -0.293 0.000 1.401 1198 I HN 0.014 nan 8.210 nan 0.000 0.491 1199 Y N 3.826 124.092 120.300 -0.057 0.000 2.346 1199 Y HA 0.589 5.138 4.550 -0.003 0.000 0.332 1199 Y C 0.593 176.458 175.900 -0.058 0.000 0.985 1199 Y CA -0.908 57.159 58.100 -0.055 0.000 1.112 1199 Y CB 1.742 40.191 38.460 -0.019 0.000 1.170 1199 Y HN 0.684 nan 8.280 nan 0.000 0.447 1200 A N 3.748 126.613 122.820 0.074 0.000 2.429 1200 A HA 0.529 4.848 4.320 -0.003 0.000 0.242 1200 A C -0.393 177.159 177.584 -0.052 0.000 1.088 1200 A CA 0.013 52.080 52.037 0.050 0.000 0.784 1200 A CB 0.146 19.253 19.000 0.178 0.000 1.038 1200 A HN 0.766 nan 8.150 nan 0.000 0.501 1201 I N 1.116 121.628 120.570 -0.098 0.000 2.411 1201 I HA 0.523 4.691 4.170 -0.003 0.000 0.284 1201 I C 0.683 176.664 176.117 -0.226 0.000 1.012 1201 I CA -0.065 61.124 61.300 -0.184 0.000 1.119 1201 I CB 1.711 39.647 38.000 -0.107 0.000 1.261 1201 I HN 0.761 nan 8.210 nan 0.000 0.448 1202 G N 5.812 114.391 108.800 -0.368 0.000 3.042 1202 G HA2 0.803 4.761 3.960 -0.003 0.000 0.278 1202 G HA3 0.803 4.761 3.960 -0.003 0.000 0.278 1202 G C -0.981 173.967 174.900 0.080 0.000 1.371 1202 G CA -0.764 44.237 45.100 -0.165 0.000 1.009 1202 G HN 0.334 nan 8.290 nan 0.000 0.523 1203 L N -0.169 121.168 121.223 0.191 0.000 2.399 1203 L HA 0.735 5.073 4.340 -0.003 0.000 0.265 1203 L C 0.892 178.028 176.870 0.443 0.000 1.089 1203 L CA -0.742 54.275 54.840 0.295 0.000 0.802 1203 L CB 1.584 43.639 42.059 -0.006 0.000 1.180 1203 L HN 0.857 nan 8.230 nan 0.000 0.454 1204 R N -0.127 120.559 120.500 0.310 0.000 3.145 1204 R HA 0.648 4.986 4.340 -0.003 0.000 0.253 1204 R C -1.386 174.976 176.300 0.103 0.000 1.289 1204 R CA -1.045 55.066 56.100 0.019 0.000 1.030 1204 R CB 1.108 31.079 30.300 -0.548 0.000 1.387 1204 R HN 0.433 nan 8.270 nan 0.000 0.466 1205 E N 1.171 121.335 120.200 -0.060 0.000 2.212 1205 E HA 0.182 4.530 4.350 -0.003 0.000 0.268 1205 E C -0.925 175.607 176.600 -0.114 0.000 0.902 1205 E CA -0.993 55.343 56.400 -0.106 0.000 0.779 1205 E CB 2.209 31.831 29.700 -0.131 0.000 1.172 1205 E HN 0.332 nan 8.360 nan 0.000 0.409 1206 Q N 1.228 120.959 119.800 -0.115 0.000 2.247 1206 Q HA -0.002 4.337 4.340 -0.003 0.000 0.288 1206 Q C 0.767 176.700 176.000 -0.112 0.000 1.079 1206 Q CA 0.516 56.260 55.803 -0.098 0.000 0.932 1206 Q CB 0.049 28.741 28.738 -0.076 0.000 1.133 1206 Q HN 0.645 nan 8.270 nan 0.000 0.377 1207 T N -0.896 113.586 114.554 -0.121 0.000 3.086 1207 T HA 0.127 4.475 4.350 -0.003 0.000 0.250 1207 T C 0.337 174.976 174.700 -0.103 0.000 1.074 1207 T CA -0.363 61.669 62.100 -0.113 0.000 0.988 1207 T CB 0.108 68.904 68.868 -0.121 0.000 0.988 1207 T HN 0.783 nan 8.240 nan 0.000 0.530 1208 K N 0.007 120.346 120.400 -0.102 0.000 3.547 1208 K HA -0.126 4.192 4.320 -0.003 0.000 0.309 1208 K C -1.002 175.540 176.600 -0.097 0.000 1.324 1208 K CA 1.372 57.607 56.287 -0.086 0.000 0.988 1208 K CB -1.456 31.000 32.500 -0.073 0.000 1.261 1208 K HN 0.404 nan 8.250 nan 0.000 0.444 1209 D N 0.260 120.589 120.400 -0.119 0.000 2.936 1209 D HA 0.212 4.850 4.640 -0.003 0.000 0.238 1209 D C -0.343 175.864 176.300 -0.156 0.000 1.248 1209 D CA -0.602 53.321 54.000 -0.128 0.000 0.903 1209 D CB 1.070 41.799 40.800 -0.118 0.000 1.544 1209 D HN -0.105 nan 8.370 nan 0.000 0.543 1210 I N 2.181 122.654 120.570 -0.160 0.000 2.455 1210 I HA -0.001 4.168 4.170 -0.003 0.000 0.303 1210 I C 1.016 177.059 176.117 -0.124 0.000 1.180 1210 I CA 0.114 61.309 61.300 -0.174 0.000 1.469 1210 I CB -1.413 36.540 38.000 -0.078 0.000 1.480 1210 I HN 0.214 nan 8.210 nan 0.000 0.669 1211 N N 4.868 123.492 118.700 -0.127 0.000 2.468 1211 N HA -0.080 4.659 4.740 -0.003 0.000 0.265 1211 N C 1.290 176.764 175.510 -0.059 0.000 1.199 1211 N CA -0.249 52.745 53.050 -0.094 0.000 0.928 1211 N CB 0.984 39.411 38.487 -0.099 0.000 1.059 1211 N HN 0.470 nan 8.380 nan 0.000 0.467 1212 D N 3.242 123.615 120.400 -0.045 0.000 2.242 1212 D HA -0.315 4.323 4.640 -0.003 0.000 0.190 1212 D C 1.118 177.385 176.300 -0.056 0.000 1.012 1212 D CA 1.547 55.529 54.000 -0.030 0.000 0.875 1212 D CB -0.116 40.665 40.800 -0.032 0.000 0.922 1212 D HN 0.781 nan 8.370 nan 0.000 0.448 1213 N N 1.170 119.851 118.700 -0.032 0.000 2.651 1213 N HA -0.164 4.574 4.740 -0.003 0.000 0.193 1213 N C 2.049 177.569 175.510 0.017 0.000 1.149 1213 N CA 0.922 53.968 53.050 -0.007 0.000 0.933 1213 N CB -0.657 37.905 38.487 0.124 0.000 0.974 1213 N HN 0.570 nan 8.380 nan 0.000 0.448 1214 I N -3.316 117.269 120.570 0.024 0.000 4.018 1214 I HA 0.337 4.506 4.170 -0.003 0.000 0.337 1214 I C 0.164 176.337 176.117 0.093 0.000 1.327 1214 I CA -0.480 60.916 61.300 0.159 0.000 1.100 1214 I CB 0.096 38.202 38.000 0.177 0.000 1.025 1214 I HN -0.186 nan 8.210 nan 0.000 0.396 1215 I N 2.098 122.594 120.570 -0.124 0.000 2.496 1215 I HA 0.288 4.456 4.170 -0.003 0.000 0.285 1215 I C -0.721 175.168 176.117 -0.381 0.000 1.080 1215 I CA 0.237 61.482 61.300 -0.092 0.000 1.404 1215 I CB 0.450 38.432 38.000 -0.030 0.000 1.403 1215 I HN 0.010 nan 8.210 nan 0.000 0.539 1216 F N 3.662 123.714 119.950 0.169 0.000 2.629 1216 F HA 0.482 5.007 4.527 -0.003 0.000 0.316 1216 F C -0.141 175.744 175.800 0.141 0.000 1.081 1216 F CA -0.719 57.392 58.000 0.185 0.000 0.954 1216 F CB 1.742 40.929 39.000 0.312 0.000 1.337 1216 F HN 0.323 nan 8.300 nan 0.000 0.474 1217 Q N 2.453 122.489 119.800 0.392 0.000 2.304 1217 Q HA 0.551 4.889 4.340 -0.003 0.000 0.270 1217 Q C -1.719 174.488 176.000 0.344 0.000 1.035 1217 Q CA -0.588 55.381 55.803 0.277 0.000 0.781 1217 Q CB 2.723 31.584 28.738 0.204 0.000 1.261 1217 Q HN 0.817 nan 8.270 nan 0.000 0.444 1218 I N 2.417 123.136 120.570 0.248 0.000 2.664 1218 I HA 0.339 4.507 4.170 -0.003 0.000 0.308 1218 I C -1.005 175.250 176.117 0.230 0.000 0.984 1218 I CA -0.368 61.069 61.300 0.227 0.000 1.213 1218 I CB 1.705 39.790 38.000 0.142 0.000 1.379 1218 I HN 0.644 nan 8.210 nan 0.000 0.501 1219 Q N 6.462 126.398 119.800 0.227 0.000 2.289 1219 Q HA 0.479 4.818 4.340 -0.003 0.000 0.270 1219 Q C -2.618 173.465 176.000 0.138 0.000 1.038 1219 Q CA -1.804 54.127 55.803 0.214 0.000 0.812 1219 Q CB 2.558 31.524 28.738 0.380 0.000 1.300 1219 Q HN 0.215 nan 8.270 nan 0.000 0.427 1220 P HA 0.170 nan 4.420 nan 0.000 0.271 1220 P C -0.806 176.527 177.300 0.055 0.000 1.216 1220 P CA -0.317 62.829 63.100 0.076 0.000 0.776 1220 P CB 0.676 32.411 31.700 0.058 0.000 0.881 1221 M N 3.483 123.104 119.600 0.034 0.000 2.032 1221 M HA 0.308 4.786 4.480 -0.003 0.000 0.221 1221 M C -1.695 174.581 176.300 -0.041 0.000 0.941 1221 M CA -0.513 54.760 55.300 -0.046 0.000 0.895 1221 M CB -0.249 32.226 32.600 -0.209 0.000 2.146 1221 M HN 0.095 nan 8.290 nan 0.000 0.366 1222 N N 2.380 121.049 118.700 -0.052 0.000 2.430 1222 N HA 0.446 5.185 4.740 -0.003 0.000 0.292 1222 N C -1.144 174.185 175.510 -0.301 0.000 1.051 1222 N CA -0.394 52.556 53.050 -0.165 0.000 0.917 1222 N CB 1.670 40.127 38.487 -0.049 0.000 1.164 1222 N HN 0.670 nan 8.380 nan 0.000 0.484 1223 N N -0.087 118.231 118.700 -0.636 0.000 2.402 1223 N HA 0.218 4.956 4.740 -0.003 0.000 0.294 1223 N C 0.505 175.705 175.510 -0.517 0.000 1.203 1223 N CA -0.278 52.410 53.050 -0.604 0.000 0.838 1223 N CB 1.376 39.256 38.487 -1.013 0.000 1.306 1223 N HN 0.220 nan 8.380 nan 0.000 0.510 1224 T N 0.929 115.229 114.554 -0.423 0.000 2.802 1224 T HA -0.143 4.205 4.350 -0.003 0.000 0.269 1224 T C 0.401 174.659 174.700 -0.737 0.000 1.062 1224 T CA 1.659 63.397 62.100 -0.605 0.000 1.133 1224 T CB -0.329 68.074 68.868 -0.776 0.000 0.852 1224 T HN 0.586 nan 8.240 nan 0.000 0.485 1225 Y N -0.016 120.248 120.300 -0.060 0.000 2.707 1225 Y HA 0.390 4.938 4.550 -0.003 0.000 0.249 1225 Y C -0.244 175.753 175.900 0.161 0.000 1.166 1225 Y CA -1.502 56.691 58.100 0.155 0.000 1.184 1225 Y CB 0.369 39.006 38.460 0.295 0.000 1.240 1225 Y HN 0.343 nan 8.280 nan 0.000 0.547 1226 Y N -4.251 115.983 120.300 -0.111 0.000 2.687 1226 Y HA 0.550 5.098 4.550 -0.003 0.000 0.338 1226 Y C -2.213 173.476 175.900 -0.352 0.000 1.189 1226 Y CA -2.588 55.361 58.100 -0.252 0.000 1.097 1226 Y CB 0.446 38.829 38.460 -0.129 0.000 1.342 1226 Y HN -0.089 nan 8.280 nan 0.000 0.461 1227 Y N 1.957 122.290 120.300 0.055 0.000 2.369 1227 Y HA 0.848 5.397 4.550 -0.002 0.000 0.337 1227 Y C 0.411 176.417 175.900 0.176 0.000 0.961 1227 Y CA -0.029 58.104 58.100 0.055 0.000 1.186 1227 Y CB 1.514 39.988 38.460 0.023 0.000 1.139 1227 Y HN 1.011 nan 8.280 nan 0.000 0.494 1228 A N 1.906 124.914 122.820 0.312 0.000 2.985 1228 A HA 0.957 5.276 4.320 -0.003 0.000 0.248 1228 A C -0.502 177.192 177.584 0.183 0.000 1.195 1228 A CA -0.110 52.099 52.037 0.288 0.000 0.798 1228 A CB 1.294 20.538 19.000 0.407 0.000 1.376 1228 A HN 0.711 nan 8.150 nan 0.000 0.574 1229 S N -1.869 113.917 115.700 0.144 0.000 2.661 1229 S HA 0.643 5.111 4.470 -0.003 0.000 0.268 1229 S C -1.677 172.976 174.600 0.088 0.000 1.162 1229 S CA -0.704 57.573 58.200 0.128 0.000 0.817 1229 S CB 1.211 64.558 63.200 0.244 0.000 1.141 1229 S HN 0.720 nan 8.310 nan 0.000 0.477 1230 Q N 0.217 120.046 119.800 0.049 0.000 2.292 1230 Q HA 0.541 4.880 4.340 -0.003 0.000 0.270 1230 Q C -1.693 174.162 176.000 -0.241 0.000 1.024 1230 Q CA -0.498 55.240 55.803 -0.109 0.000 0.768 1230 Q CB 1.855 30.441 28.738 -0.253 0.000 1.250 1230 Q HN 0.611 nan 8.270 nan 0.000 0.447 1231 I N 3.119 123.547 120.570 -0.236 0.000 2.304 1231 I HA 0.304 4.473 4.170 -0.003 0.000 0.291 1231 I C -0.795 175.171 176.117 -0.251 0.000 1.018 1231 I CA 0.077 61.267 61.300 -0.184 0.000 1.260 1231 I CB 0.297 38.109 38.000 -0.313 0.000 1.390 1231 I HN 0.389 nan 8.210 nan 0.000 0.475 1232 F N 4.843 124.913 119.950 0.200 0.000 2.443 1232 F HA 0.522 5.048 4.527 -0.003 0.000 0.335 1232 F C 0.496 176.468 175.800 0.286 0.000 1.104 1232 F CA -1.060 57.026 58.000 0.145 0.000 1.013 1232 F CB 1.216 40.226 39.000 0.017 0.000 1.136 1232 F HN 0.211 nan 8.300 nan 0.000 0.470 1233 K N 2.198 122.814 120.400 0.361 0.000 2.297 1233 K HA 0.515 4.833 4.320 -0.003 0.000 0.286 1233 K C -0.420 176.186 176.600 0.009 0.000 1.053 1233 K CA -0.006 56.314 56.287 0.056 0.000 0.940 1233 K CB 0.592 33.091 32.500 -0.000 0.000 1.019 1233 K HN 0.760 nan 8.250 nan 0.000 0.475 1234 S N 2.588 118.250 115.700 -0.064 0.000 2.794 1234 S HA 0.546 5.014 4.470 -0.003 0.000 0.299 1234 S C -0.700 173.876 174.600 -0.041 0.000 1.179 1234 S CA -1.091 57.097 58.200 -0.019 0.000 0.838 1234 S CB 0.647 63.861 63.200 0.024 0.000 1.206 1234 S HN 0.709 nan 8.310 nan 0.000 0.523 1235 N N -0.149 118.551 118.700 0.000 0.000 2.448 1235 N HA 0.257 4.995 4.740 -0.003 0.000 0.274 1235 N C 0.678 176.232 175.510 0.073 0.000 1.239 1235 N CA -0.785 52.286 53.050 0.036 0.000 0.982 1235 N CB -0.013 38.503 38.487 0.048 0.000 1.199 1235 N HN 0.605 nan 8.380 nan 0.000 0.576 1236 F N 1.379 121.309 119.950 -0.034 0.000 2.043 1236 F HA -0.322 4.204 4.527 -0.003 0.000 0.297 1236 F C 1.896 177.688 175.800 -0.014 0.000 1.118 1236 F CA 2.645 60.629 58.000 -0.026 0.000 1.202 1236 F CB -0.224 38.757 39.000 -0.033 0.000 0.965 1236 F HN 0.736 nan 8.300 nan 0.000 0.482 1237 N N -0.307 118.416 118.700 0.038 0.000 2.467 1237 N HA 0.115 4.853 4.740 -0.003 0.000 0.184 1237 N C 1.229 176.705 175.510 -0.058 0.000 1.106 1237 N CA 0.894 53.912 53.050 -0.054 0.000 0.892 1237 N CB -0.181 38.338 38.487 0.052 0.000 0.969 1237 N HN 0.391 nan 8.380 nan 0.000 0.454 1238 G N 0.718 109.498 108.800 -0.033 0.000 2.179 1238 G HA2 -0.378 3.580 3.960 -0.003 0.000 0.257 1238 G HA3 -0.378 3.580 3.960 -0.003 0.000 0.257 1238 G C 0.361 175.256 174.900 -0.008 0.000 1.010 1238 G CA 0.574 45.662 45.100 -0.021 0.000 0.736 1238 G HN 0.788 nan 8.290 nan 0.000 0.513 1239 E N -0.699 119.504 120.200 0.004 0.000 2.403 1239 E HA 0.170 4.518 4.350 -0.003 0.000 0.188 1239 E C 0.554 177.163 176.600 0.015 0.000 1.056 1239 E CA -0.180 56.224 56.400 0.007 0.000 0.892 1239 E CB 0.276 29.982 29.700 0.010 0.000 1.049 1239 E HN 0.266 nan 8.360 nan 0.000 0.465 1240 N N 1.706 120.417 118.700 0.018 0.000 2.653 1240 N HA 0.120 4.858 4.740 -0.003 0.000 0.261 1240 N C -1.346 174.184 175.510 0.033 0.000 1.216 1240 N CA -0.467 52.601 53.050 0.030 0.000 0.784 1240 N CB 0.852 39.357 38.487 0.031 0.000 1.327 1240 N HN 0.045 nan 8.380 nan 0.000 0.539 1241 I N 2.906 123.501 120.570 0.040 0.000 2.301 1241 I HA 0.093 4.261 4.170 -0.003 0.000 0.292 1241 I C 1.702 177.887 176.117 0.114 0.000 1.046 1241 I CA 0.013 61.332 61.300 0.031 0.000 1.282 1241 I CB 0.703 38.673 38.000 -0.050 0.000 1.409 1241 I HN 0.497 nan 8.210 nan 0.000 0.484 1242 S N 3.878 119.629 115.700 0.086 0.000 2.535 1242 S HA 0.386 4.854 4.470 -0.003 0.000 0.214 1242 S C 0.725 175.432 174.600 0.179 0.000 0.980 1242 S CA 0.167 58.465 58.200 0.162 0.000 0.907 1242 S CB 0.589 63.846 63.200 0.096 0.000 0.790 1242 S HN 0.776 nan 8.310 nan 0.000 0.510 1243 G N 0.104 108.842 108.800 -0.103 0.000 2.430 1243 G HA2 0.551 4.509 3.960 -0.003 0.000 0.300 1243 G HA3 0.551 4.509 3.960 -0.003 0.000 0.300 1243 G C -2.036 172.723 174.900 -0.234 0.000 1.330 1243 G CA -0.745 44.241 45.100 -0.190 0.000 0.813 1243 G HN 0.325 nan 8.290 nan 0.000 0.487 1244 I N -0.959 119.580 120.570 -0.052 0.000 2.892 1244 I HA 0.579 4.747 4.170 -0.003 0.000 0.306 1244 I C -0.483 175.674 176.117 0.066 0.000 1.078 1244 I CA -0.945 60.341 61.300 -0.023 0.000 1.032 1244 I CB 2.028 40.041 38.000 0.023 0.000 1.229 1244 I HN 0.614 nan 8.210 nan 0.000 0.435 1245 C N 4.221 123.536 119.300 0.025 0.000 2.347 1245 C HA 0.603 5.062 4.460 -0.003 0.000 0.353 1245 C C 0.643 175.824 174.990 0.318 0.000 1.273 1245 C CA -0.074 59.012 59.018 0.113 0.000 1.861 1245 C CB 0.135 27.790 27.740 -0.141 0.000 2.420 1245 C HN 0.764 nan 8.230 nan 0.000 0.542 1246 S N 1.739 117.616 115.700 0.294 0.000 2.998 1246 S HA 0.848 5.317 4.470 -0.003 0.000 0.307 1246 S C -1.106 173.674 174.600 0.300 0.000 1.063 1246 S CA -0.502 57.863 58.200 0.275 0.000 0.895 1246 S CB 1.106 64.415 63.200 0.182 0.000 1.362 1246 S HN 0.751 nan 8.310 nan 0.000 0.657 1247 I N -0.187 120.480 120.570 0.162 0.000 2.787 1247 I HA 0.688 4.856 4.170 -0.003 0.000 0.294 1247 I C -0.800 175.379 176.117 0.102 0.000 1.365 1247 I CA -0.095 61.265 61.300 0.100 0.000 1.029 1247 I CB 1.685 39.598 38.000 -0.145 0.000 1.313 1247 I HN 0.831 nan 8.210 nan 0.000 0.431 1248 G N 2.881 111.784 108.800 0.172 0.000 2.559 1248 G HA2 0.532 4.490 3.960 -0.003 0.000 0.291 1248 G HA3 0.532 4.490 3.960 -0.003 0.000 0.291 1248 G C -1.350 173.629 174.900 0.133 0.000 1.424 1248 G CA -0.308 44.872 45.100 0.132 0.000 0.786 1248 G HN 0.624 nan 8.290 nan 0.000 0.485 1249 T N -1.442 113.049 114.554 -0.106 0.000 2.829 1249 T HA 0.750 5.099 4.350 -0.003 0.000 0.282 1249 T C -1.092 173.467 174.700 -0.236 0.000 0.990 1249 T CA -0.440 61.654 62.100 -0.009 0.000 1.028 1249 T CB 1.327 70.190 68.868 -0.009 0.000 0.951 1249 T HN 0.450 nan 8.240 nan 0.000 0.460 1250 Y N -0.306 120.201 120.300 0.346 0.000 2.588 1250 Y HA 0.523 5.071 4.550 -0.003 0.000 0.343 1250 Y C 0.175 176.268 175.900 0.321 0.000 1.065 1250 Y CA -1.584 56.695 58.100 0.298 0.000 1.038 1250 Y CB 1.558 40.200 38.460 0.303 0.000 1.297 1250 Y HN 0.393 nan 8.280 nan 0.000 0.467 1251 R N 1.746 122.388 120.500 0.236 0.000 2.351 1251 R HA 0.178 4.517 4.340 -0.003 0.000 0.318 1251 R C -0.669 175.635 176.300 0.005 0.000 1.055 1251 R CA 0.418 56.590 56.100 0.120 0.000 0.968 1251 R CB -0.377 29.918 30.300 -0.008 0.000 0.974 1251 R HN 0.784 nan 8.270 nan 0.000 0.439 1252 F N 0.652 120.806 119.950 0.340 0.000 2.581 1252 F HA 0.190 4.715 4.527 -0.003 0.000 0.278 1252 F C 0.832 176.805 175.800 0.290 0.000 1.000 1252 F CA -0.169 58.041 58.000 0.350 0.000 1.230 1252 F CB 0.249 39.493 39.000 0.407 0.000 1.008 1252 F HN 0.429 nan 8.300 nan 0.000 0.695 1253 R N 1.735 122.632 120.500 0.662 0.000 2.496 1253 R HA -0.177 4.161 4.340 -0.003 0.000 0.326 1253 R C -2.207 174.267 176.300 0.291 0.000 1.032 1253 R CA 0.081 56.428 56.100 0.411 0.000 0.827 1253 R CB -1.679 28.717 30.300 0.160 0.000 2.368 1253 R HN 0.340 nan 8.270 nan 0.000 0.490 1254 L N 3.949 125.322 121.223 0.249 0.000 2.318 1254 L HA 0.516 4.855 4.340 -0.003 0.000 0.277 1254 L C 1.009 177.908 176.870 0.049 0.000 1.008 1254 L CA -0.111 54.760 54.840 0.052 0.000 0.846 1254 L CB 1.816 43.745 42.059 -0.217 0.000 1.220 1254 L HN 0.803 nan 8.230 nan 0.000 0.423 1255 G N 2.037 110.870 108.800 0.054 0.000 2.697 1255 G HA2 0.081 4.039 3.960 -0.003 0.000 0.181 1255 G HA3 0.081 4.039 3.960 -0.003 0.000 0.181 1255 G C 0.891 175.834 174.900 0.072 0.000 0.306 1255 G CA 0.335 45.467 45.100 0.055 0.000 1.011 1255 G HN 1.296 nan 8.290 nan 0.000 0.465 1256 G N 2.335 111.187 108.800 0.086 0.000 2.579 1256 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.222 1256 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.222 1256 G C 0.405 175.382 174.900 0.128 0.000 1.201 1256 G CA 0.673 45.831 45.100 0.097 0.000 0.710 1256 G HN 1.307 nan 8.290 nan 0.000 0.516 1257 D N 0.775 121.250 120.400 0.125 0.000 2.472 1257 D HA 0.034 4.673 4.640 -0.003 0.000 0.248 1257 D C 0.863 177.258 176.300 0.159 0.000 1.174 1257 D CA 0.180 54.276 54.000 0.159 0.000 0.883 1257 D CB 0.455 41.372 40.800 0.196 0.000 1.149 1257 D HN 0.499 nan 8.370 nan 0.000 0.488 1258 W N 4.034 125.316 121.300 -0.031 0.000 2.737 1258 W HA -0.061 4.598 4.660 -0.003 0.000 0.262 1258 W C -0.668 175.680 176.519 -0.285 0.000 1.282 1258 W CA 0.211 57.422 57.345 -0.222 0.000 1.386 1258 W CB 0.370 29.578 29.460 -0.421 0.000 1.099 1258 W HN 0.289 nan 8.180 nan 0.000 0.621 1259 Y N 1.218 121.609 120.300 0.152 0.000 2.487 1259 Y HA 0.434 4.982 4.550 -0.003 0.000 0.337 1259 Y C 0.505 176.477 175.900 0.120 0.000 1.076 1259 Y CA -1.185 56.942 58.100 0.045 0.000 1.115 1259 Y CB 0.616 39.147 38.460 0.118 0.000 1.235 1259 Y HN -0.406 nan 8.280 nan 0.000 0.468 1260 R N 1.435 121.997 120.500 0.102 0.000 2.491 1260 R HA 0.282 4.620 4.340 -0.003 0.000 0.283 1260 R C -1.158 175.088 176.300 -0.089 0.000 1.072 1260 R CA -0.101 56.038 56.100 0.065 0.000 1.048 1260 R CB 0.186 30.430 30.300 -0.094 0.000 0.983 1260 R HN 0.689 nan 8.270 nan 0.000 0.450 1261 H N 0.169 119.253 119.070 0.023 0.000 2.865 1261 H HA 0.249 4.803 4.556 -0.003 0.000 0.372 1261 H C -0.687 174.441 175.328 -0.334 0.000 1.173 1261 H CA -0.809 55.113 56.048 -0.210 0.000 1.147 1261 H CB 1.350 30.891 29.762 -0.369 0.000 1.805 1261 H HN 0.522 nan 8.280 nan 0.000 0.553 1262 N N 0.923 119.497 118.700 -0.211 0.000 2.497 1262 N HA 0.226 4.965 4.740 -0.003 0.000 0.271 1262 N C -1.287 174.072 175.510 -0.253 0.000 1.142 1262 N CA 0.032 53.020 53.050 -0.104 0.000 0.965 1262 N CB 0.680 39.136 38.487 -0.052 0.000 1.077 1262 N HN 0.327 nan 8.380 nan 0.000 0.462 1263 Y N 0.844 121.285 120.300 0.235 0.000 2.553 1263 Y HA 0.382 4.930 4.550 -0.003 0.000 0.347 1263 Y C -0.668 175.308 175.900 0.126 0.000 1.019 1263 Y CA -1.030 57.152 58.100 0.136 0.000 1.032 1263 Y CB 1.166 39.667 38.460 0.068 0.000 1.284 1263 Y HN 0.291 nan 8.280 nan 0.000 0.466 1264 L N 4.732 126.082 121.223 0.213 0.000 2.259 1264 L HA 0.697 5.035 4.340 -0.003 0.000 0.288 1264 L C -0.648 176.349 176.870 0.211 0.000 1.051 1264 L CA -0.594 54.312 54.840 0.112 0.000 0.824 1264 L CB 0.096 42.106 42.059 -0.083 0.000 1.206 1264 L HN 0.468 nan 8.230 nan 0.000 0.429 1265 V N 3.917 123.977 119.914 0.242 0.000 2.960 1265 V HA 0.821 4.940 4.120 -0.003 0.000 0.315 1265 V C -2.647 173.624 176.094 0.295 0.000 1.087 1265 V CA -2.060 60.391 62.300 0.251 0.000 0.982 1265 V CB 1.802 33.639 31.823 0.023 0.000 1.039 1265 V HN 0.704 nan 8.190 nan 0.000 0.437 1266 P HA 0.345 nan 4.420 nan 0.000 0.281 1266 P C -0.373 177.021 177.300 0.156 0.000 1.252 1266 P CA 0.378 63.664 63.100 0.310 0.000 0.778 1266 P CB 1.154 33.029 31.700 0.291 0.000 0.895 1267 T N -0.461 114.196 114.554 0.171 0.000 2.907 1267 T HA 0.542 4.890 4.350 -0.003 0.000 0.290 1267 T C -0.585 174.197 174.700 0.136 0.000 1.066 1267 T CA -0.863 61.309 62.100 0.120 0.000 1.012 1267 T CB 1.192 70.122 68.868 0.105 0.000 1.184 1267 T HN 0.088 nan 8.240 nan 0.000 0.522 1268 V N 1.958 121.964 119.914 0.154 0.000 2.325 1268 V HA 0.493 4.611 4.120 -0.003 0.000 0.280 1268 V C -0.157 176.069 176.094 0.220 0.000 1.016 1268 V CA -0.890 61.533 62.300 0.204 0.000 0.818 1268 V CB 1.067 33.044 31.823 0.258 0.000 1.019 1268 V HN 0.995 nan 8.190 nan 0.000 0.434 1269 K N 4.863 125.381 120.400 0.197 0.000 2.339 1269 K HA 0.403 4.721 4.320 -0.003 0.000 0.286 1269 K C 0.127 176.888 176.600 0.269 0.000 1.050 1269 K CA 0.446 56.852 56.287 0.200 0.000 0.956 1269 K CB 0.656 33.279 32.500 0.205 0.000 0.990 1269 K HN 0.721 nan 8.250 nan 0.000 0.475 1270 Q N 2.090 122.057 119.800 0.278 0.000 3.182 1270 Q HA 0.515 4.853 4.340 -0.003 0.000 0.212 1270 Q C 0.348 176.519 176.000 0.285 0.000 1.099 1270 Q CA -0.747 55.255 55.803 0.332 0.000 0.680 1270 Q CB 0.481 29.431 28.738 0.353 0.000 3.554 1270 Q HN 0.809 nan 8.270 nan 0.000 0.361 1271 G N 1.733 110.678 108.800 0.241 0.000 2.566 1271 G HA2 -0.345 3.613 3.960 -0.003 0.000 0.280 1271 G HA3 -0.345 3.613 3.960 -0.003 0.000 0.280 1271 G C -0.139 174.840 174.900 0.132 0.000 1.225 1271 G CA 0.425 45.618 45.100 0.155 0.000 0.966 1271 G HN 0.608 nan 8.290 nan 0.000 0.560 1272 N N 1.187 119.918 118.700 0.052 0.000 2.605 1272 N HA 0.376 5.114 4.740 -0.003 0.000 0.258 1272 N C 1.099 176.591 175.510 -0.030 0.000 1.156 1272 N CA 0.362 53.374 53.050 -0.063 0.000 1.008 1272 N CB -0.353 38.099 38.487 -0.059 0.000 1.354 1272 N HN 0.708 nan 8.380 nan 0.000 0.509 1273 Y N 1.580 121.951 120.300 0.117 0.000 2.571 1273 Y HA 0.234 4.782 4.550 -0.003 0.000 0.294 1273 Y C 1.832 177.822 175.900 0.149 0.000 1.141 1273 Y CA 0.302 58.491 58.100 0.148 0.000 1.308 1273 Y CB -0.792 37.789 38.460 0.201 0.000 1.002 1273 Y HN 0.375 nan 8.280 nan 0.000 0.551 1274 A N 1.096 123.780 122.820 -0.226 0.000 2.084 1274 A HA -0.234 4.084 4.320 -0.003 0.000 0.221 1274 A C 2.384 180.010 177.584 0.071 0.000 1.161 1274 A CA 1.927 53.929 52.037 -0.058 0.000 0.653 1274 A CB -1.200 17.701 19.000 -0.165 0.000 0.802 1274 A HN 0.648 nan 8.150 nan 0.000 0.457 1275 S N -0.941 114.800 115.700 0.068 0.000 2.555 1275 S HA 0.105 4.573 4.470 -0.003 0.000 0.230 1275 S C 1.363 176.030 174.600 0.111 0.000 0.978 1275 S CA 1.040 59.286 58.200 0.076 0.000 0.934 1275 S CB -0.292 62.944 63.200 0.060 0.000 0.766 1275 S HN 0.487 nan 8.310 nan 0.000 0.533 1276 L N 0.227 121.553 121.223 0.172 0.000 2.638 1276 L HA 0.267 4.605 4.340 -0.003 0.000 0.232 1276 L C 1.664 178.657 176.870 0.205 0.000 1.099 1276 L CA -0.062 54.885 54.840 0.178 0.000 0.883 1276 L CB -0.086 42.095 42.059 0.203 0.000 1.136 1276 L HN 0.247 nan 8.230 nan 0.000 0.492 1277 L N 0.481 121.853 121.223 0.248 0.000 2.137 1277 L HA -0.232 4.106 4.340 -0.003 0.000 0.213 1277 L C 2.319 179.321 176.870 0.221 0.000 1.085 1277 L CA 1.790 56.791 54.840 0.268 0.000 0.760 1277 L CB -0.729 41.489 42.059 0.265 0.000 0.893 1277 L HN 0.379 nan 8.230 nan 0.000 0.434 1278 E N -0.965 119.334 120.200 0.165 0.000 2.385 1278 E HA 0.006 4.355 4.350 -0.003 0.000 0.194 1278 E C 1.080 177.742 176.600 0.104 0.000 1.013 1278 E CA -0.023 56.458 56.400 0.136 0.000 0.866 1278 E CB 0.126 29.879 29.700 0.088 0.000 0.832 1278 E HN 0.242 nan 8.360 nan 0.000 0.500 1279 S N 1.099 116.855 115.700 0.094 0.000 2.562 1279 S HA 0.038 4.507 4.470 -0.003 0.000 0.281 1279 S C 1.386 175.955 174.600 -0.052 0.000 1.333 1279 S CA 0.229 58.440 58.200 0.018 0.000 1.052 1279 S CB 0.867 64.087 63.200 0.032 0.000 0.884 1279 S HN 0.255 nan 8.310 nan 0.000 0.506 1280 T N 0.960 115.363 114.554 -0.251 0.000 3.113 1280 T HA -0.027 4.321 4.350 -0.003 0.000 0.256 1280 T C 1.727 176.208 174.700 -0.366 0.000 1.131 1280 T CA 0.767 62.497 62.100 -0.615 0.000 1.074 1280 T CB -0.507 68.051 68.868 -0.517 0.000 0.944 1280 T HN 0.682 nan 8.240 nan 0.000 0.516 1281 S N 1.766 117.345 115.700 -0.202 0.000 2.555 1281 S HA -0.054 4.414 4.470 -0.003 0.000 0.230 1281 S C 1.806 176.278 174.600 -0.213 0.000 0.978 1281 S CA 0.720 58.799 58.200 -0.201 0.000 0.934 1281 S CB -1.017 62.133 63.200 -0.085 0.000 0.766 1281 S HN 0.728 nan 8.310 nan 0.000 0.533 1282 T N -2.068 112.462 114.554 -0.041 0.000 3.105 1282 T HA 0.284 4.632 4.350 -0.003 0.000 0.253 1282 T C -0.212 174.475 174.700 -0.023 0.000 1.047 1282 T CA -0.459 61.676 62.100 0.058 0.000 0.944 1282 T CB -0.413 68.547 68.868 0.154 0.000 1.016 1282 T HN 0.387 nan 8.240 nan 0.000 0.544 1283 H N 0.741 119.550 119.070 -0.435 0.000 2.652 1283 H HA 0.507 5.061 4.556 -0.003 0.000 0.298 1283 H C -1.188 173.738 175.328 -0.671 0.000 1.076 1283 H CA -1.414 54.442 56.048 -0.320 0.000 1.360 1283 H CB 0.165 29.853 29.762 -0.122 0.000 1.421 1283 H HN 0.417 nan 8.280 nan 0.000 0.464 1284 W N 1.908 123.185 121.300 -0.039 0.000 2.632 1284 W HA 0.590 5.249 4.660 -0.002 0.000 0.328 1284 W C 0.375 176.732 176.519 -0.269 0.000 1.044 1284 W CA -1.002 56.211 57.345 -0.222 0.000 1.225 1284 W CB 1.712 30.975 29.460 -0.329 0.000 1.396 1284 W HN 0.710 nan 8.180 nan 0.000 0.499 1285 G N 1.511 110.200 108.800 -0.186 0.000 2.448 1285 G HA2 0.758 4.716 3.960 -0.003 0.000 0.324 1285 G HA3 0.758 4.716 3.960 -0.003 0.000 0.324 1285 G C -2.034 172.550 174.900 -0.526 0.000 1.203 1285 G CA -0.749 44.273 45.100 -0.130 0.000 0.954 1285 G HN 0.309 nan 8.290 nan 0.000 0.480 1286 F N 1.646 121.538 119.950 -0.097 0.000 2.366 1286 F HA 0.335 4.860 4.527 -0.003 0.000 0.366 1286 F C 0.248 175.898 175.800 -0.250 0.000 1.096 1286 F CA -0.775 57.075 58.000 -0.250 0.000 1.060 1286 F CB 2.164 40.800 39.000 -0.606 0.000 1.282 1286 F HN 0.162 nan 8.300 nan 0.000 0.450 1287 V N 5.467 125.328 119.914 -0.088 0.000 2.488 1287 V HA 0.260 4.378 4.120 -0.003 0.000 0.277 1287 V C -1.972 174.299 176.094 0.295 0.000 1.046 1287 V CA -1.764 60.475 62.300 -0.100 0.000 0.986 1287 V CB 0.711 32.277 31.823 -0.428 0.000 0.989 1287 V HN 0.421 nan 8.190 nan 0.000 0.475 1288 P HA 0.136 nan 4.420 nan 0.000 0.281 1288 P C 0.779 178.190 177.300 0.184 0.000 1.252 1288 P CA -0.146 63.157 63.100 0.340 0.000 0.778 1288 P CB 1.766 33.681 31.700 0.358 0.000 0.895 1289 V N 1.119 121.002 119.914 -0.053 0.000 3.141 1289 V HA -0.029 4.089 4.120 -0.003 0.000 0.265 1289 V C 0.673 176.790 176.094 0.039 0.000 1.126 1289 V CA 1.180 63.434 62.300 -0.078 0.000 1.141 1289 V CB -1.234 30.417 31.823 -0.286 0.000 0.743 1289 V HN 0.546 nan 8.190 nan 0.000 0.492 1290 S N 0.000 115.719 115.700 0.032 0.000 2.498 1290 S HA 0.000 4.468 4.470 -0.003 0.000 0.327 1290 S CA 0.000 58.230 58.200 0.051 0.000 1.107 1290 S CB 0.000 63.189 63.200 -0.018 0.000 0.593 1290 S HN 0.000 nan 8.310 nan 0.000 0.517