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_A 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 TFEINKIPDT 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 0.000 175.544 175.510 0.056 0.000 1.280 867 N CA 0.000 53.075 53.050 0.041 0.000 0.885 867 N CB 0.000 38.502 38.487 0.025 0.000 1.341 868 I N 0.899 121.507 120.570 0.063 0.000 2.233 868 I HA -0.046 3.872 4.170 -0.421 0.000 0.243 868 I C 0.602 176.841 176.117 0.203 0.000 1.093 868 I CA 1.319 62.671 61.300 0.086 0.000 1.380 868 I CB -0.023 38.010 38.000 0.055 0.000 1.067 868 I HN 0.122 nan 8.210 nan 0.000 0.413 869 N N 1.321 120.133 118.700 0.187 0.000 2.573 869 N HA -0.146 4.341 4.740 -0.421 0.000 0.187 869 N C 0.875 176.457 175.510 0.121 0.000 1.107 869 N CA 0.806 53.963 53.050 0.178 0.000 0.918 869 N CB -0.402 38.141 38.487 0.094 0.000 0.966 869 N HN 0.471 nan 8.380 nan 0.000 0.448 870 D N 0.395 120.867 120.400 0.119 0.000 2.264 870 D HA -0.066 4.322 4.640 -0.421 0.000 0.208 870 D C 1.540 177.908 176.300 0.114 0.000 0.966 870 D CA 0.844 54.903 54.000 0.099 0.000 0.864 870 D CB -0.020 40.828 40.800 0.080 0.000 0.933 870 D HN 0.325 nan 8.370 nan 0.000 0.499 871 S N -0.906 114.889 115.700 0.160 0.000 2.557 871 S HA 0.059 4.277 4.470 -0.421 0.000 0.223 871 S C 0.765 175.420 174.600 0.093 0.000 0.969 871 S CA -0.515 57.781 58.200 0.160 0.000 0.927 871 S CB 0.321 63.651 63.200 0.217 0.000 0.806 871 S HN -0.011 nan 8.310 nan 0.000 0.489 872 K N 2.480 122.862 120.400 -0.029 0.000 2.349 872 K HA 0.250 4.318 4.320 -0.421 0.000 0.288 872 K C 0.665 177.099 176.600 -0.276 0.000 1.058 872 K CA -0.220 55.835 56.287 -0.387 0.000 0.953 872 K CB 0.282 32.489 32.500 -0.489 0.000 0.997 872 K HN 0.547 nan 8.250 nan 0.000 0.477 873 I N 1.988 122.335 120.570 -0.372 0.000 4.082 873 I HA 0.261 4.178 4.170 -0.421 0.000 0.337 873 I C -0.878 175.059 176.117 -0.299 0.000 1.352 873 I CA -0.494 60.490 61.300 -0.527 0.000 1.097 873 I CB 0.459 38.109 38.000 -0.583 0.000 1.048 873 I HN 0.297 nan 8.210 nan 0.000 0.393 874 L N 0.685 121.797 121.223 -0.184 0.000 2.565 874 L HA 0.534 4.621 4.340 -0.421 0.000 0.261 874 L C -1.113 175.735 176.870 -0.036 0.000 0.932 874 L CA -0.209 54.620 54.840 -0.018 0.000 0.878 874 L CB 2.202 44.320 42.059 0.099 0.000 1.333 874 L HN 0.022 nan 8.230 nan 0.000 0.409 875 S N 4.840 120.560 115.700 0.033 0.000 2.293 875 S HA 0.388 4.606 4.470 -0.421 0.000 0.154 875 S C -1.148 173.571 174.600 0.198 0.000 1.602 875 S CA -0.441 57.766 58.200 0.012 0.000 1.260 875 S CB 0.056 63.121 63.200 -0.224 0.000 1.270 875 S HN 0.587 nan 8.310 nan 0.000 0.416 876 L N 4.644 126.081 121.223 0.357 0.000 2.456 876 L HA 0.454 4.541 4.340 -0.421 0.000 0.277 876 L C -0.129 176.931 176.870 0.316 0.000 1.124 876 L CA 1.304 56.315 54.840 0.285 0.000 0.880 876 L CB 0.056 42.285 42.059 0.283 0.000 1.192 876 L HN 0.657 nan 8.230 nan 0.000 0.463 877 Q N 3.611 123.540 119.800 0.216 0.000 2.544 877 Q HA 0.314 4.402 4.340 -0.421 0.000 0.291 877 Q C -0.959 175.130 176.000 0.149 0.000 1.068 877 Q CA -0.839 55.104 55.803 0.233 0.000 0.785 877 Q CB 1.990 30.871 28.738 0.238 0.000 1.481 877 Q HN 0.638 nan 8.270 nan 0.000 0.430 878 N N 0.579 119.380 118.700 0.169 0.000 2.558 878 N HA 0.134 4.621 4.740 -0.421 0.000 0.233 878 N C 0.212 175.710 175.510 -0.021 0.000 1.038 878 N CA 0.004 53.102 53.050 0.079 0.000 0.934 878 N CB 0.596 39.166 38.487 0.138 0.000 1.175 878 N HN 0.367 nan 8.380 nan 0.000 0.512 879 R N 2.920 123.402 120.500 -0.030 0.000 2.036 879 R HA 0.098 4.185 4.340 -0.421 0.000 0.216 879 R C 1.682 177.914 176.300 -0.113 0.000 1.241 879 R CA 1.241 57.307 56.100 -0.057 0.000 0.964 879 R CB -0.261 30.027 30.300 -0.020 0.000 0.828 879 R HN 0.441 nan 8.270 nan 0.000 0.468 880 K N -0.590 119.763 120.400 -0.079 0.000 2.088 880 K HA -0.051 4.016 4.320 -0.421 0.000 0.201 880 K C 0.268 176.807 176.600 -0.102 0.000 1.054 880 K CA 1.443 57.680 56.287 -0.083 0.000 1.025 880 K CB -0.281 32.188 32.500 -0.052 0.000 1.258 880 K HN 0.149 nan 8.250 nan 0.000 0.456 881 N N 0.170 118.831 118.700 -0.064 0.000 2.433 881 N HA 0.079 4.566 4.740 -0.421 0.000 0.270 881 N C -1.721 173.767 175.510 -0.038 0.000 1.354 881 N CA -0.254 52.768 53.050 -0.047 0.000 0.889 881 N CB 1.071 39.541 38.487 -0.028 0.000 1.285 881 N HN 0.284 nan 8.380 nan 0.000 0.503 882 T N -0.372 114.155 114.554 -0.046 0.000 2.893 882 T HA 0.482 4.579 4.350 -0.421 0.000 0.291 882 T C -1.063 173.606 174.700 -0.052 0.000 1.028 882 T CA -0.626 61.444 62.100 -0.049 0.000 0.995 882 T CB 0.709 69.551 68.868 -0.043 0.000 1.051 882 T HN 0.044 nan 8.240 nan 0.000 0.470 883 L N 4.891 126.064 121.223 -0.084 0.000 2.276 883 L HA 0.745 4.833 4.340 -0.421 0.000 0.286 883 L C -0.128 176.699 176.870 -0.072 0.000 1.061 883 L CA -0.683 54.097 54.840 -0.101 0.000 0.807 883 L CB 1.316 43.227 42.059 -0.246 0.000 1.177 883 L HN 0.599 nan 8.230 nan 0.000 0.429 884 V N -0.836 119.063 119.914 -0.025 0.000 3.181 884 V HA 0.503 4.370 4.120 -0.421 0.000 0.308 884 V C -1.184 174.930 176.094 0.034 0.000 1.214 884 V CA -0.981 61.317 62.300 -0.003 0.000 1.053 884 V CB 2.219 34.042 31.823 0.000 0.000 1.069 884 V HN 0.567 nan 8.190 nan 0.000 0.441 885 D N 1.648 122.073 120.400 0.041 0.000 2.441 885 D HA 0.348 4.735 4.640 -0.421 0.000 0.221 885 D C 1.267 177.599 176.300 0.055 0.000 1.156 885 D CA 0.563 54.604 54.000 0.068 0.000 0.896 885 D CB 1.304 42.154 40.800 0.084 0.000 1.028 885 D HN 0.988 nan 8.370 nan 0.000 0.509 886 T N -0.273 114.310 114.554 0.048 0.000 3.148 886 T HA -0.076 4.021 4.350 -0.421 0.000 0.253 886 T C 1.665 176.368 174.700 0.006 0.000 1.134 886 T CA 0.632 62.746 62.100 0.025 0.000 1.051 886 T CB -0.267 68.617 68.868 0.027 0.000 0.959 886 T HN 0.209 nan 8.240 nan 0.000 0.525 887 S N 0.482 116.198 115.700 0.027 0.000 2.453 887 S HA 0.303 4.521 4.470 -0.421 0.000 0.231 887 S C 2.074 176.747 174.600 0.123 0.000 1.005 887 S CA 0.816 59.048 58.200 0.054 0.000 0.949 887 S CB -0.792 62.457 63.200 0.083 0.000 0.774 887 S HN 1.285 nan 8.310 nan 0.000 0.510 888 G N -0.244 108.594 108.800 0.063 0.000 2.218 888 G HA2 -0.235 3.473 3.960 -0.421 0.000 0.216 888 G HA3 -0.235 3.473 3.960 -0.421 0.000 0.216 888 G C 0.371 175.129 174.900 -0.238 0.000 0.994 888 G CA 0.184 45.230 45.100 -0.091 0.000 0.637 888 G HN 0.538 nan 8.290 nan 0.000 0.505 889 Y N 1.484 121.782 120.300 -0.004 0.000 2.466 889 Y HA 0.269 4.566 4.550 -0.421 0.000 0.272 889 Y C 1.385 177.294 175.900 0.015 0.000 1.169 889 Y CA -0.111 57.994 58.100 0.009 0.000 1.285 889 Y CB 0.113 38.582 38.460 0.015 0.000 1.078 889 Y HN 0.290 nan 8.280 nan 0.000 0.523 890 N N 0.366 119.124 118.700 0.097 0.000 2.688 890 N HA -0.188 4.299 4.740 -0.421 0.000 0.258 890 N C -0.031 175.527 175.510 0.079 0.000 1.016 890 N CA 0.763 53.851 53.050 0.063 0.000 0.747 890 N CB -0.888 37.613 38.487 0.023 0.000 0.895 890 N HN 0.332 nan 8.380 nan 0.000 0.543 891 A N 0.491 123.372 122.820 0.101 0.000 2.425 891 A HA 0.220 4.287 4.320 -0.421 0.000 0.249 891 A C 0.709 178.326 177.584 0.055 0.000 1.084 891 A CA -0.191 51.899 52.037 0.088 0.000 0.781 891 A CB 0.576 19.639 19.000 0.106 0.000 1.019 891 A HN 0.313 nan 8.150 nan 0.000 0.490 892 E N 0.774 120.998 120.200 0.040 0.000 2.290 892 E HA 0.357 4.454 4.350 -0.421 0.000 0.277 892 E C -0.970 175.632 176.600 0.003 0.000 1.035 892 E CA -0.101 56.309 56.400 0.017 0.000 0.873 892 E CB 1.045 30.752 29.700 0.011 0.000 1.029 892 E HN 0.371 nan 8.360 nan 0.000 0.419 893 V N 2.884 122.786 119.914 -0.020 0.000 2.409 893 V HA 0.286 4.153 4.120 -0.421 0.000 0.291 893 V C -0.292 175.759 176.094 -0.072 0.000 1.020 893 V CA -0.696 61.570 62.300 -0.057 0.000 0.848 893 V CB 1.489 33.263 31.823 -0.082 0.000 0.990 893 V HN 0.701 nan 8.190 nan 0.000 0.430 894 S N 2.781 118.432 115.700 -0.083 0.000 2.707 894 S HA 0.618 4.836 4.470 -0.421 0.000 0.303 894 S C -0.796 173.741 174.600 -0.105 0.000 1.132 894 S CA -0.955 57.198 58.200 -0.079 0.000 1.046 894 S CB 1.309 64.479 63.200 -0.050 0.000 1.004 894 S HN 0.826 nan 8.310 nan 0.000 0.483 895 E N 2.643 122.771 120.200 -0.121 0.000 2.197 895 E HA 0.568 4.665 4.350 -0.421 0.000 0.281 895 E C -0.765 175.785 176.600 -0.084 0.000 0.995 895 E CA -0.799 55.519 56.400 -0.136 0.000 0.808 895 E CB 1.397 30.990 29.700 -0.178 0.000 1.093 895 E HN 0.684 nan 8.360 nan 0.000 0.394 896 E N 1.397 121.556 120.200 -0.067 0.000 2.277 896 E HA 0.499 4.596 4.350 -0.421 0.000 0.266 896 E C 0.261 176.840 176.600 -0.035 0.000 0.901 896 E CA -0.393 55.981 56.400 -0.044 0.000 0.782 896 E CB 1.886 31.566 29.700 -0.034 0.000 1.228 896 E HN 0.782 nan 8.360 nan 0.000 0.424 897 G N 2.308 111.093 108.800 -0.026 0.000 2.564 897 G HA2 -0.290 3.417 3.960 -0.421 0.000 0.273 897 G HA3 -0.290 3.417 3.960 -0.421 0.000 0.273 897 G C -0.389 174.499 174.900 -0.020 0.000 1.242 897 G CA 0.065 45.153 45.100 -0.020 0.000 0.951 897 G HN 0.643 nan 8.290 nan 0.000 0.564 898 D N 0.814 121.203 120.400 -0.017 0.000 2.470 898 D HA 0.424 4.811 4.640 -0.421 0.000 0.226 898 D C 0.128 176.417 176.300 -0.019 0.000 1.196 898 D CA -0.017 53.973 54.000 -0.017 0.000 0.979 898 D CB 0.167 40.957 40.800 -0.017 0.000 1.059 898 D HN 0.441 nan 8.370 nan 0.000 0.515 899 V N 4.092 123.996 119.914 -0.017 0.000 2.350 899 V HA 0.203 4.071 4.120 -0.421 0.000 0.285 899 V C 0.159 176.265 176.094 0.020 0.000 1.014 899 V CA -0.845 61.453 62.300 -0.004 0.000 0.831 899 V CB 1.376 33.166 31.823 -0.055 0.000 1.000 899 V HN 0.322 nan 8.190 nan 0.000 0.433 900 Q N 4.083 123.909 119.800 0.042 0.000 2.296 900 Q HA 0.579 4.667 4.340 -0.421 0.000 0.257 900 Q C -0.868 175.219 176.000 0.145 0.000 0.942 900 Q CA 0.122 55.966 55.803 0.069 0.000 0.939 900 Q CB 1.265 30.031 28.738 0.047 0.000 1.198 900 Q HN 0.690 nan 8.270 nan 0.000 0.429 901 L N 2.773 124.079 121.223 0.139 0.000 2.343 901 L HA 0.482 4.569 4.340 -0.421 0.000 0.275 901 L C 0.152 177.142 176.870 0.201 0.000 1.056 901 L CA -0.683 54.270 54.840 0.188 0.000 0.804 901 L CB 1.493 43.624 42.059 0.120 0.000 1.203 901 L HN 0.633 nan 8.230 nan 0.000 0.440 902 N N 2.776 121.635 118.700 0.265 0.000 2.425 902 N HA 0.263 4.750 4.740 -0.421 0.000 0.268 902 N C -1.796 173.915 175.510 0.336 0.000 0.991 902 N CA -1.610 51.611 53.050 0.286 0.000 0.931 902 N CB 1.827 40.501 38.487 0.312 0.000 1.130 902 N HN 0.358 nan 8.380 nan 0.000 0.493 903 P HA -0.049 nan 4.420 nan 0.000 0.219 903 P C 0.093 177.660 177.300 0.446 0.000 1.150 903 P CA 0.950 64.178 63.100 0.213 0.000 0.814 903 P CB 0.651 32.432 31.700 0.135 0.000 0.787 904 I N -0.813 120.034 120.570 0.460 0.000 2.577 904 I HA 0.225 4.143 4.170 -0.421 0.000 0.305 904 I C 0.815 176.997 176.117 0.108 0.000 0.986 904 I CA -1.488 60.061 61.300 0.415 0.000 1.189 904 I CB 0.740 38.851 38.000 0.184 0.000 1.355 904 I HN -0.203 nan 8.210 nan 0.000 0.476 905 F N 7.428 126.992 119.950 -0.643 0.000 2.628 905 F HA 0.076 4.350 4.527 -0.422 0.000 0.362 905 F C -1.404 174.088 175.800 -0.513 0.000 1.148 905 F CA -1.302 56.033 58.000 -1.108 0.000 1.352 905 F CB 0.330 38.861 39.000 -0.782 0.000 1.081 905 F HN 0.312 nan 8.300 nan 0.000 0.605 906 P HA 0.047 nan 4.420 nan 0.000 0.255 906 P C -0.103 176.738 177.300 -0.765 0.000 1.357 906 P CA 0.372 62.377 63.100 -1.825 0.000 0.839 906 P CB -0.726 29.918 31.700 -1.761 0.000 1.356 907 F N -0.542 119.317 119.950 -0.152 0.000 3.074 907 F HA -0.264 4.011 4.527 -0.421 0.000 0.289 907 F C 0.216 176.068 175.800 0.087 0.000 0.863 907 F CA -0.014 57.995 58.000 0.016 0.000 1.121 907 F CB -2.464 36.558 39.000 0.036 0.000 1.169 907 F HN 0.172 nan 8.300 nan 0.000 0.570 908 D N 1.486 122.022 120.400 0.226 0.000 2.423 908 D HA 0.362 4.749 4.640 -0.421 0.000 0.238 908 D C 0.107 176.626 176.300 0.365 0.000 1.142 908 D CA -0.195 53.987 54.000 0.304 0.000 0.884 908 D CB 0.512 41.618 40.800 0.510 0.000 1.199 908 D HN 0.214 nan 8.370 nan 0.000 0.438 909 F N -1.528 118.562 119.950 0.233 0.000 2.440 909 F HA 0.603 4.878 4.527 -0.421 0.000 0.328 909 F C -0.023 175.797 175.800 0.034 0.000 1.070 909 F CA -1.379 56.686 58.000 0.108 0.000 1.011 909 F CB 1.272 40.279 39.000 0.013 0.000 1.226 909 F HN 0.311 nan 8.300 nan 0.000 0.491 910 K N 2.926 123.388 120.400 0.104 0.000 2.463 910 K HA 0.556 4.623 4.320 -0.421 0.000 0.255 910 K C -1.870 174.621 176.600 -0.181 0.000 0.942 910 K CA -0.622 55.486 56.287 -0.297 0.000 0.814 910 K CB 1.343 33.463 32.500 -0.633 0.000 1.122 910 K HN 0.674 nan 8.250 nan 0.000 0.425 911 L N 1.622 122.720 121.223 -0.207 0.000 2.397 911 L HA 0.761 4.848 4.340 -0.421 0.000 0.266 911 L C 0.643 177.376 176.870 -0.227 0.000 1.040 911 L CA -0.353 54.417 54.840 -0.117 0.000 0.800 911 L CB 1.637 43.698 42.059 0.004 0.000 1.324 911 L HN 0.854 nan 8.230 nan 0.000 0.469 912 G N -1.634 107.082 108.800 -0.140 0.000 2.649 912 G HA2 0.468 4.176 3.960 -0.421 0.000 0.290 912 G HA3 0.468 4.176 3.960 -0.421 0.000 0.290 912 G C -0.876 173.981 174.900 -0.072 0.000 1.426 912 G CA 0.162 45.175 45.100 -0.146 0.000 0.794 912 G HN 0.535 nan 8.290 nan 0.000 0.483 913 S N -0.746 114.922 115.700 -0.053 0.000 2.583 913 S HA 0.236 4.454 4.470 -0.421 0.000 0.239 913 S C 1.827 176.451 174.600 0.039 0.000 0.966 913 S CA 0.783 59.001 58.200 0.029 0.000 0.973 913 S CB 0.702 63.951 63.200 0.082 0.000 0.794 913 S HN 0.814 nan 8.310 nan 0.000 0.463 914 S N 2.112 117.816 115.700 0.007 0.000 2.369 914 S HA 0.016 4.233 4.470 -0.421 0.000 0.225 914 S C 1.993 176.606 174.600 0.021 0.000 1.043 914 S CA 2.594 60.800 58.200 0.010 0.000 1.074 914 S CB -0.974 62.224 63.200 -0.004 0.000 0.962 914 S HN 1.553 nan 8.310 nan 0.000 0.433 915 G N 0.698 109.509 108.800 0.019 0.000 2.345 915 G HA2 -0.246 3.461 3.960 -0.421 0.000 0.218 915 G HA3 -0.246 3.461 3.960 -0.421 0.000 0.218 915 G C 0.755 175.661 174.900 0.010 0.000 1.058 915 G CA 0.640 45.751 45.100 0.019 0.000 0.632 915 G HN 0.496 nan 8.290 nan 0.000 0.508 916 E N 1.527 121.731 120.200 0.008 0.000 2.012 916 E HA -0.109 3.988 4.350 -0.421 0.000 0.211 916 E C 0.740 177.341 176.600 0.001 0.000 1.029 916 E CA 1.799 58.202 56.400 0.005 0.000 0.867 916 E CB -0.337 29.365 29.700 0.004 0.000 0.790 916 E HN 0.712 nan 8.360 nan 0.000 0.482 917 D N 0.229 120.628 120.400 -0.001 0.000 2.945 917 D HA 0.106 4.494 4.640 -0.421 0.000 0.366 917 D C -0.043 176.253 176.300 -0.006 0.000 1.352 917 D CA -0.304 53.694 54.000 -0.004 0.000 0.810 917 D CB 0.032 40.829 40.800 -0.006 0.000 1.170 917 D HN -0.019 nan 8.370 nan 0.000 0.461 918 R N 1.132 121.630 120.500 -0.003 0.000 2.543 918 R HA 0.016 4.103 4.340 -0.421 0.000 0.280 918 R C 0.696 176.992 176.300 -0.006 0.000 0.885 918 R CA 0.444 56.542 56.100 -0.003 0.000 1.130 918 R CB 0.251 30.556 30.300 0.008 0.000 0.871 918 R HN 0.244 nan 8.270 nan 0.000 0.424 919 G N 3.567 112.360 108.800 -0.011 0.000 2.432 919 G HA2 0.059 3.767 3.960 -0.421 0.000 0.239 919 G HA3 0.059 3.767 3.960 -0.421 0.000 0.239 919 G C -0.599 174.304 174.900 0.005 0.000 1.291 919 G CA -0.221 44.873 45.100 -0.009 0.000 0.863 919 G HN 0.602 nan 8.290 nan 0.000 0.560 920 K N 2.051 122.446 120.400 -0.008 0.000 2.695 920 K HA 0.361 4.429 4.320 -0.421 0.000 0.255 920 K C -1.322 175.260 176.600 -0.030 0.000 1.016 920 K CA -0.612 55.678 56.287 0.005 0.000 0.928 920 K CB 1.704 34.203 32.500 -0.001 0.000 1.235 920 K HN 0.292 nan 8.250 nan 0.000 0.467 921 V N 5.823 125.717 119.914 -0.034 0.000 2.509 921 V HA 0.447 4.315 4.120 -0.421 0.000 0.284 921 V C 0.121 176.210 176.094 -0.008 0.000 1.047 921 V CA -0.493 61.718 62.300 -0.148 0.000 0.952 921 V CB 1.246 32.775 31.823 -0.490 0.000 0.988 921 V HN 0.647 nan 8.190 nan 0.000 0.469 922 I N 4.988 125.532 120.570 -0.042 0.000 2.439 922 I HA 0.398 4.315 4.170 -0.421 0.000 0.285 922 I C -0.676 175.443 176.117 0.004 0.000 1.021 922 I CA -0.664 60.642 61.300 0.010 0.000 1.091 922 I CB 2.008 40.001 38.000 -0.012 0.000 1.242 922 I HN 0.265 nan 8.210 nan 0.000 0.439 923 V N 5.002 124.951 119.914 0.058 0.000 2.394 923 V HA 0.359 4.227 4.120 -0.421 0.000 0.282 923 V C 0.215 176.341 176.094 0.053 0.000 1.031 923 V CA -0.227 62.110 62.300 0.060 0.000 0.881 923 V CB 1.658 33.562 31.823 0.134 0.000 0.982 923 V HN 0.697 nan 8.190 nan 0.000 0.451 924 T N 5.729 120.308 114.554 0.042 0.000 2.893 924 T HA 0.373 4.470 4.350 -0.421 0.000 0.324 924 T C -0.134 174.601 174.700 0.058 0.000 1.082 924 T CA -0.441 61.682 62.100 0.039 0.000 0.983 924 T CB 0.604 69.485 68.868 0.022 0.000 1.005 924 T HN 0.733 nan 8.240 nan 0.000 0.475 925 Q N 1.935 121.779 119.800 0.073 0.000 2.318 925 Q HA 0.302 4.390 4.340 -0.421 0.000 0.222 925 Q C 0.616 176.667 176.000 0.085 0.000 1.003 925 Q CA -0.884 54.971 55.803 0.087 0.000 0.936 925 Q CB 0.859 29.651 28.738 0.090 0.000 1.204 925 Q HN 0.523 nan 8.270 nan 0.000 0.524 926 N N 1.773 120.535 118.700 0.103 0.000 2.416 926 N HA -0.102 4.385 4.740 -0.421 0.000 0.271 926 N C 0.685 176.260 175.510 0.110 0.000 1.245 926 N CA 0.051 53.166 53.050 0.108 0.000 0.940 926 N CB 0.601 39.176 38.487 0.147 0.000 1.175 926 N HN 0.779 nan 8.380 nan 0.000 0.483 927 E N 4.062 124.320 120.200 0.097 0.000 2.108 927 E HA -0.352 3.746 4.350 -0.421 0.000 0.203 927 E C 0.742 177.437 176.600 0.158 0.000 1.022 927 E CA 1.386 57.856 56.400 0.117 0.000 0.823 927 E CB -0.280 29.470 29.700 0.085 0.000 0.744 927 E HN 0.592 nan 8.360 nan 0.000 0.456 928 N N 0.626 119.406 118.700 0.133 0.000 2.094 928 N HA -0.170 4.317 4.740 -0.421 0.000 0.191 928 N C 1.901 177.540 175.510 0.215 0.000 1.023 928 N CA 1.484 54.634 53.050 0.166 0.000 0.857 928 N CB -0.278 38.281 38.487 0.121 0.000 1.013 928 N HN 0.271 nan 8.380 nan 0.000 0.426 929 I N 0.895 121.565 120.570 0.167 0.000 2.676 929 I HA -0.099 3.819 4.170 -0.421 0.000 0.259 929 I C 1.899 178.062 176.117 0.077 0.000 1.194 929 I CA 0.588 61.954 61.300 0.110 0.000 1.473 929 I CB -0.056 37.974 38.000 0.050 0.000 1.096 929 I HN -0.179 nan 8.210 nan 0.000 0.443 930 V N -0.159 119.829 119.914 0.124 0.000 2.379 930 V HA -0.283 3.585 4.120 -0.421 0.000 0.245 930 V C 2.267 178.499 176.094 0.231 0.000 1.044 930 V CA 1.983 64.354 62.300 0.117 0.000 1.036 930 V CB -1.078 30.837 31.823 0.154 0.000 0.664 930 V HN 0.515 nan 8.190 nan 0.000 0.453 931 Y N 1.840 122.270 120.300 0.218 0.000 2.165 931 Y HA -0.233 4.064 4.550 -0.421 0.000 0.286 931 Y C 2.085 178.166 175.900 0.302 0.000 1.155 931 Y CA 2.200 60.501 58.100 0.336 0.000 1.164 931 Y CB -0.469 38.112 38.460 0.202 0.000 0.978 931 Y HN 0.363 nan 8.280 nan 0.000 0.513 932 N N -1.094 117.721 118.700 0.191 0.000 2.383 932 N HA -0.000 4.487 4.740 -0.421 0.000 0.192 932 N C 0.903 176.444 175.510 0.053 0.000 1.141 932 N CA 0.599 53.693 53.050 0.074 0.000 0.851 932 N CB 0.231 38.800 38.487 0.136 0.000 0.976 932 N HN 0.176 nan 8.380 nan 0.000 0.465 933 S N -0.464 115.264 115.700 0.047 0.000 3.056 933 S HA 0.155 4.372 4.470 -0.421 0.000 0.255 933 S C 1.481 176.069 174.600 -0.019 0.000 1.079 933 S CA -0.123 58.080 58.200 0.004 0.000 0.810 933 S CB 0.281 63.447 63.200 -0.057 0.000 0.810 933 S HN 0.115 nan 8.310 nan 0.000 0.477 934 M N 0.998 120.500 119.600 -0.164 0.000 2.296 934 M HA 0.125 4.352 4.480 -0.421 0.000 0.265 934 M C 1.101 177.164 176.300 -0.396 0.000 1.064 934 M CA 1.283 56.261 55.300 -0.536 0.000 1.109 934 M CB -1.336 30.599 32.600 -1.109 0.000 1.396 934 M HN 0.339 nan 8.290 nan 0.000 0.430 935 Y N 0.637 120.993 120.300 0.092 0.000 2.544 935 Y HA -0.087 4.211 4.550 -0.421 0.000 0.286 935 Y C 2.034 178.036 175.900 0.170 0.000 1.141 935 Y CA 0.505 58.765 58.100 0.267 0.000 1.299 935 Y CB -0.285 38.273 38.460 0.163 0.000 1.030 935 Y HN 0.440 nan 8.280 nan 0.000 0.543 936 E N -0.826 119.502 120.200 0.212 0.000 2.275 936 E HA 0.255 4.352 4.350 -0.421 0.000 0.239 936 E C 0.049 176.691 176.600 0.069 0.000 0.897 936 E CA 0.005 56.481 56.400 0.127 0.000 1.044 936 E CB -0.153 29.600 29.700 0.088 0.000 1.416 936 E HN -0.109 nan 8.360 nan 0.000 0.513 937 S N -0.514 115.213 115.700 0.044 0.000 2.570 937 S HA 0.701 4.919 4.470 -0.421 0.000 0.286 937 S C -1.249 173.373 174.600 0.036 0.000 1.099 937 S CA -0.778 57.385 58.200 -0.061 0.000 0.913 937 S CB 1.408 64.574 63.200 -0.057 0.000 1.085 937 S HN 0.432 nan 8.310 nan 0.000 0.480 938 F N -1.459 118.430 119.950 -0.103 0.000 2.858 938 F HA 0.829 5.103 4.527 -0.421 0.000 0.319 938 F C -1.333 174.388 175.800 -0.132 0.000 1.166 938 F CA -0.841 57.092 58.000 -0.111 0.000 0.899 938 F CB 0.723 39.616 39.000 -0.179 0.000 1.332 938 F HN 0.405 nan 8.300 nan 0.000 0.461 939 S N 1.209 117.093 115.700 0.307 0.000 2.540 939 S HA 0.812 5.029 4.470 -0.421 0.000 0.275 939 S C -1.298 173.415 174.600 0.188 0.000 1.123 939 S CA -0.610 57.657 58.200 0.112 0.000 0.907 939 S CB 1.778 64.933 63.200 -0.075 0.000 1.081 939 S HN 0.657 nan 8.310 nan 0.000 0.476 940 I N 2.620 123.170 120.570 -0.033 0.000 2.498 940 I HA 0.580 4.497 4.170 -0.421 0.000 0.290 940 I C -0.195 175.806 176.117 -0.192 0.000 1.032 940 I CA -0.350 60.866 61.300 -0.140 0.000 1.073 940 I CB 2.074 39.925 38.000 -0.248 0.000 1.251 940 I HN 0.726 nan 8.210 nan 0.000 0.426 941 S N 5.798 121.387 115.700 -0.184 0.000 2.595 941 S HA 0.946 5.164 4.470 -0.421 0.000 0.281 941 S C -0.831 173.637 174.600 -0.220 0.000 1.117 941 S CA -0.606 57.337 58.200 -0.427 0.000 0.873 941 S CB 2.541 65.561 63.200 -0.299 0.000 1.108 941 S HN 0.669 nan 8.310 nan 0.000 0.477 942 F N -3.309 116.297 119.950 -0.572 0.000 2.952 942 F HA 0.647 4.922 4.527 -0.421 0.000 0.329 942 F C -2.527 173.179 175.800 -0.156 0.000 1.137 942 F CA -1.737 56.170 58.000 -0.155 0.000 0.889 942 F CB 0.072 39.201 39.000 0.215 0.000 1.335 942 F HN 0.675 nan 8.300 nan 0.000 0.449 943 W N 3.049 124.608 121.300 0.431 0.000 2.469 943 W HA 0.801 5.208 4.660 -0.422 0.000 0.320 943 W C -0.567 176.325 176.519 0.621 0.000 1.086 943 W CA -0.691 56.908 57.345 0.424 0.000 1.211 943 W CB 1.802 31.398 29.460 0.228 0.000 1.298 943 W HN 0.710 nan 8.180 nan 0.000 0.525 944 I N 2.744 123.700 120.570 0.642 0.000 3.074 944 I HA 0.619 4.536 4.170 -0.421 0.000 0.310 944 I C -1.108 174.966 176.117 -0.072 0.000 1.153 944 I CA -1.306 60.153 61.300 0.266 0.000 0.993 944 I CB 2.127 40.167 38.000 0.066 0.000 1.237 944 I HN 0.421 nan 8.210 nan 0.000 0.443 945 R N 4.989 125.348 120.500 -0.236 0.000 2.561 945 R HA 0.515 4.602 4.340 -0.421 0.000 0.266 945 R C -2.240 174.101 176.300 0.067 0.000 1.091 945 R CA -0.608 55.340 56.100 -0.254 0.000 0.927 945 R CB 1.869 31.466 30.300 -1.172 0.000 1.240 945 R HN 0.511 nan 8.270 nan 0.000 0.449 946 I N 3.542 124.229 120.570 0.195 0.000 2.389 946 I HA 0.176 4.093 4.170 -0.421 0.000 0.288 946 I C 1.270 177.506 176.117 0.197 0.000 0.999 946 I CA -0.483 60.919 61.300 0.170 0.000 1.129 946 I CB 1.617 39.653 38.000 0.060 0.000 1.288 946 I HN 0.722 nan 8.210 nan 0.000 0.444 947 N N 4.527 123.388 118.700 0.269 0.000 2.100 947 N HA -0.255 4.232 4.740 -0.421 0.000 0.199 947 N C 0.474 176.024 175.510 0.066 0.000 1.017 947 N CA 2.064 55.262 53.050 0.248 0.000 0.890 947 N CB 0.181 38.749 38.487 0.135 0.000 1.080 947 N HN 0.322 nan 8.380 nan 0.000 0.525 948 K N -0.527 119.927 120.400 0.090 0.000 2.895 948 K HA 0.074 4.141 4.320 -0.421 0.000 0.191 948 K C -1.758 174.975 176.600 0.222 0.000 1.117 948 K CA -0.424 55.919 56.287 0.093 0.000 0.988 948 K CB -0.369 32.178 32.500 0.077 0.000 1.181 948 K HN 0.356 nan 8.250 nan 0.000 0.598 949 W N 5.858 127.184 121.300 0.043 0.000 1.836 949 W HA 0.135 4.543 4.660 -0.421 0.000 0.449 949 W C 0.294 176.923 176.519 0.183 0.000 0.787 949 W CA -1.082 56.340 57.345 0.129 0.000 1.729 949 W CB -0.672 28.894 29.460 0.176 0.000 1.802 949 W HN 0.123 nan 8.180 nan 0.000 0.257 950 V N 2.073 122.215 119.914 0.381 0.000 3.546 950 V HA 0.332 4.199 4.120 -0.421 0.000 0.296 950 V C 1.098 177.334 176.094 0.237 0.000 1.082 950 V CA 0.395 62.839 62.300 0.240 0.000 1.086 950 V CB 0.672 32.600 31.823 0.175 0.000 1.174 950 V HN 0.380 nan 8.190 nan 0.000 0.464 951 S N -0.232 115.535 115.700 0.112 0.000 2.575 951 S HA 0.027 4.244 4.470 -0.421 0.000 0.215 951 S C 0.969 175.574 174.600 0.008 0.000 0.966 951 S CA 0.394 58.569 58.200 -0.041 0.000 0.911 951 S CB -0.976 62.144 63.200 -0.133 0.000 0.780 951 S HN 1.048 nan 8.310 nan 0.000 0.514 952 N N 0.336 119.090 118.700 0.089 0.000 2.273 952 N HA 0.197 4.684 4.740 -0.421 0.000 0.192 952 N C 0.164 175.766 175.510 0.154 0.000 1.132 952 N CA -0.515 52.592 53.050 0.094 0.000 0.887 952 N CB -0.522 38.011 38.487 0.076 0.000 1.048 952 N HN 0.204 nan 8.380 nan 0.000 0.490 953 L N 2.503 123.861 121.223 0.225 0.000 2.931 953 L HA -0.052 4.035 4.340 -0.421 0.000 0.321 953 L C -2.080 174.956 176.870 0.276 0.000 1.210 953 L CA -0.230 54.787 54.840 0.296 0.000 0.856 953 L CB -0.032 42.273 42.059 0.410 0.000 1.164 953 L HN 0.294 nan 8.230 nan 0.000 0.527 954 P HA 0.180 nan 4.420 nan 0.000 0.277 954 P C -0.394 176.988 177.300 0.137 0.000 1.271 954 P CA -0.471 62.706 63.100 0.129 0.000 0.795 954 P CB 0.404 32.106 31.700 0.004 0.000 1.101 955 G N -0.416 108.382 108.800 -0.003 0.000 2.432 955 G HA2 0.308 4.016 3.960 -0.421 0.000 0.239 955 G HA3 0.308 4.016 3.960 -0.421 0.000 0.239 955 G C -1.425 173.392 174.900 -0.139 0.000 1.291 955 G CA 0.210 45.315 45.100 0.009 0.000 0.863 955 G HN 0.393 nan 8.290 nan 0.000 0.560 956 Y N -0.662 119.661 120.300 0.038 0.000 2.442 956 Y HA 0.303 4.600 4.550 -0.421 0.000 0.330 956 Y C 0.309 176.216 175.900 0.012 0.000 1.100 956 Y CA -0.690 57.421 58.100 0.018 0.000 1.034 956 Y CB 2.259 40.726 38.460 0.013 0.000 1.285 956 Y HN 0.557 nan 8.280 nan 0.000 0.440 957 T N 5.001 119.649 114.554 0.156 0.000 2.771 957 T HA 0.372 4.469 4.350 -0.421 0.000 0.291 957 T C 1.202 175.946 174.700 0.073 0.000 0.954 957 T CA -0.339 61.809 62.100 0.080 0.000 1.045 957 T CB 0.402 69.280 68.868 0.017 0.000 0.917 957 T HN 0.675 nan 8.240 nan 0.000 0.484 958 I N 0.132 120.726 120.570 0.039 0.000 3.300 958 I HA 0.491 4.409 4.170 -0.421 0.000 0.279 958 I C -0.193 175.855 176.117 -0.114 0.000 1.172 958 I CA 0.121 61.416 61.300 -0.008 0.000 1.431 958 I CB 0.343 38.341 38.000 -0.004 0.000 1.240 958 I HN 0.309 nan 8.210 nan 0.000 0.453 959 I N 1.825 122.308 120.570 -0.145 0.000 2.418 959 I HA 0.415 4.332 4.170 -0.421 0.000 0.287 959 I C -1.384 174.584 176.117 -0.248 0.000 1.008 959 I CA -0.009 61.065 61.300 -0.376 0.000 1.104 959 I CB 1.672 39.428 38.000 -0.407 0.000 1.264 959 I HN 0.104 nan 8.210 nan 0.000 0.438 960 D N 3.139 123.301 120.400 -0.396 0.000 2.629 960 D HA 0.508 4.896 4.640 -0.421 0.000 0.250 960 D C -0.734 175.196 176.300 -0.617 0.000 1.126 960 D CA -0.206 53.548 54.000 -0.409 0.000 0.852 960 D CB 1.554 42.210 40.800 -0.241 0.000 1.335 960 D HN 0.268 nan 8.370 nan 0.000 0.518 961 S N 3.352 118.512 115.700 -0.901 0.000 2.327 961 S HA 0.339 4.556 4.470 -0.421 0.000 0.203 961 S C -1.458 172.793 174.600 -0.583 0.000 1.326 961 S CA -0.462 57.187 58.200 -0.918 0.000 1.248 961 S CB 0.059 62.242 63.200 -1.694 0.000 1.199 961 S HN 0.282 nan 8.310 nan 0.000 0.422 962 V N 3.755 123.460 119.914 -0.347 0.000 2.349 962 V HA 0.364 4.231 4.120 -0.421 0.000 0.284 962 V C 0.909 176.916 176.094 -0.145 0.000 1.014 962 V CA -0.656 61.520 62.300 -0.206 0.000 0.826 962 V CB 1.523 33.250 31.823 -0.160 0.000 1.009 962 V HN 0.470 nan 8.190 nan 0.000 0.431 963 K N 5.726 126.060 120.400 -0.110 0.000 1.984 963 K HA -0.081 3.986 4.320 -0.421 0.000 0.209 963 K C 1.430 177.994 176.600 -0.059 0.000 1.046 963 K CA 2.422 58.665 56.287 -0.074 0.000 0.934 963 K CB 0.020 32.494 32.500 -0.044 0.000 0.717 963 K HN 0.750 nan 8.250 nan 0.000 0.438 964 N N -1.581 117.088 118.700 -0.052 0.000 2.604 964 N HA 0.011 4.498 4.740 -0.421 0.000 0.234 964 N C 0.334 175.815 175.510 -0.049 0.000 1.064 964 N CA 0.256 53.280 53.050 -0.043 0.000 1.202 964 N CB -0.120 38.349 38.487 -0.031 0.000 1.575 964 N HN 0.060 nan 8.380 nan 0.000 0.619 965 N N -0.523 118.149 118.700 -0.047 0.000 2.305 965 N HA 0.165 4.653 4.740 -0.421 0.000 0.248 965 N C -1.177 174.300 175.510 -0.055 0.000 1.290 965 N CA 0.024 53.045 53.050 -0.047 0.000 0.873 965 N CB 1.623 40.088 38.487 -0.036 0.000 1.261 965 N HN 0.256 nan 8.380 nan 0.000 0.504 966 S N -0.898 114.762 115.700 -0.067 0.000 2.564 966 S HA 0.839 5.056 4.470 -0.421 0.000 0.274 966 S C 0.045 174.581 174.600 -0.107 0.000 1.124 966 S CA 0.184 58.331 58.200 -0.088 0.000 0.869 966 S CB 1.764 64.908 63.200 -0.093 0.000 1.105 966 S HN 0.458 nan 8.310 nan 0.000 0.472 967 G N 2.531 111.262 108.800 -0.117 0.000 2.233 967 G HA2 0.123 3.830 3.960 -0.421 0.000 0.162 967 G HA3 0.123 3.830 3.960 -0.421 0.000 0.162 967 G C -1.592 173.409 174.900 0.168 0.000 1.327 967 G CA -0.097 44.984 45.100 -0.030 0.000 1.187 967 G HN 1.256 nan 8.290 nan 0.000 0.479 968 W N -0.226 121.126 121.300 0.087 0.000 3.031 968 W HA 0.842 5.249 4.660 -0.421 0.000 0.337 968 W C -0.684 175.788 176.519 -0.078 0.000 1.187 968 W CA -0.543 56.795 57.345 -0.012 0.000 1.166 968 W CB 1.353 30.898 29.460 0.141 0.000 1.437 968 W HN 1.303 nan 8.180 nan 0.000 0.551 969 S N 1.279 117.105 115.700 0.211 0.000 2.556 969 S HA 0.762 4.979 4.470 -0.421 0.000 0.271 969 S C -1.630 173.105 174.600 0.226 0.000 1.135 969 S CA -0.683 57.595 58.200 0.130 0.000 0.858 969 S CB 1.516 64.698 63.200 -0.030 0.000 1.114 969 S HN 0.449 nan 8.310 nan 0.000 0.468 970 I N 2.828 123.561 120.570 0.272 0.000 2.478 970 I HA 0.614 4.531 4.170 -0.421 0.000 0.287 970 I C 0.416 176.642 176.117 0.182 0.000 1.042 970 I CA -0.506 60.976 61.300 0.303 0.000 1.067 970 I CB 1.873 40.148 38.000 0.460 0.000 1.233 970 I HN 0.734 nan 8.210 nan 0.000 0.431 971 G N 6.365 115.271 108.800 0.177 0.000 2.733 971 G HA2 0.845 4.553 3.960 -0.421 0.000 0.288 971 G HA3 0.845 4.553 3.960 -0.421 0.000 0.288 971 G C -1.138 173.865 174.900 0.172 0.000 1.373 971 G CA -0.679 44.509 45.100 0.148 0.000 0.895 971 G HN 0.606 nan 8.290 nan 0.000 0.479 972 I N -1.359 119.308 120.570 0.161 0.000 2.569 972 I HA 0.788 4.705 4.170 -0.421 0.000 0.296 972 I C -0.506 175.766 176.117 0.258 0.000 1.028 972 I CA -0.882 60.516 61.300 0.164 0.000 1.082 972 I CB 2.098 40.057 38.000 -0.068 0.000 1.264 972 I HN 0.516 nan 8.210 nan 0.000 0.429 973 I N 2.757 123.532 120.570 0.341 0.000 3.731 973 I HA 0.412 4.329 4.170 -0.421 0.000 0.154 973 I C 1.447 177.804 176.117 0.400 0.000 0.485 973 I CA 0.204 61.698 61.300 0.322 0.000 2.951 973 I CB 1.208 39.363 38.000 0.258 0.000 1.410 973 I HN 0.754 nan 8.210 nan 0.000 0.506 974 S N 0.962 116.897 115.700 0.392 0.000 2.404 974 S HA -0.119 4.099 4.470 -0.421 0.000 0.191 974 S C 0.899 175.673 174.600 0.290 0.000 1.254 974 S CA 1.480 59.849 58.200 0.283 0.000 1.821 974 S CB -0.817 62.496 63.200 0.189 0.000 0.822 974 S HN 0.694 nan 8.310 nan 0.000 0.370 975 N N 0.211 118.809 118.700 -0.171 0.000 2.320 975 N HA 0.273 4.760 4.740 -0.421 0.000 0.237 975 N C -0.966 174.241 175.510 -0.505 0.000 1.129 975 N CA -0.190 52.437 53.050 -0.706 0.000 0.854 975 N CB -0.061 37.365 38.487 -1.770 0.000 1.083 975 N HN 0.160 nan 8.380 nan 0.000 0.504 976 F N 0.410 120.516 119.950 0.260 0.000 2.507 976 F HA 0.491 4.766 4.527 -0.420 0.000 0.327 976 F C -0.268 175.803 175.800 0.451 0.000 1.068 976 F CA -1.398 56.749 58.000 0.246 0.000 0.965 976 F CB 1.605 40.666 39.000 0.103 0.000 1.192 976 F HN -0.078 nan 8.300 nan 0.000 0.476 977 L N 4.020 125.617 121.223 0.623 0.000 2.345 977 L HA 0.697 4.784 4.340 -0.421 0.000 0.274 977 L C -1.349 175.795 176.870 0.456 0.000 0.999 977 L CA -0.767 54.377 54.840 0.507 0.000 0.849 977 L CB 1.206 43.674 42.059 0.681 0.000 1.220 977 L HN 0.449 nan 8.230 nan 0.000 0.422 978 V N 5.833 125.956 119.914 0.349 0.000 2.555 978 V HA 0.603 4.470 4.120 -0.421 0.000 0.302 978 V C -1.186 175.096 176.094 0.313 0.000 1.038 978 V CA -0.568 61.908 62.300 0.293 0.000 0.887 978 V CB 1.683 33.608 31.823 0.171 0.000 0.991 978 V HN 0.693 nan 8.190 nan 0.000 0.434 979 F N 4.966 125.029 119.950 0.187 0.000 2.421 979 F HA 0.811 5.085 4.527 -0.421 0.000 0.337 979 F C 0.015 175.920 175.800 0.175 0.000 1.105 979 F CA 0.098 58.214 58.000 0.193 0.000 1.049 979 F CB 1.951 41.042 39.000 0.151 0.000 1.139 979 F HN 0.628 nan 8.300 nan 0.000 0.479 980 T N 6.812 120.925 114.554 -0.735 0.000 2.912 980 T HA 0.496 4.594 4.350 -0.421 0.000 0.299 980 T C -1.532 172.861 174.700 -0.512 0.000 1.052 980 T CA -0.554 61.276 62.100 -0.450 0.000 0.996 980 T CB 1.720 70.493 68.868 -0.159 0.000 1.070 980 T HN 0.413 nan 8.240 nan 0.000 0.465 981 L N 2.909 124.022 121.223 -0.184 0.000 2.305 981 L HA 0.562 4.649 4.340 -0.421 0.000 0.284 981 L C -0.133 176.752 176.870 0.026 0.000 1.013 981 L CA -0.373 54.492 54.840 0.042 0.000 0.819 981 L CB 1.307 43.482 42.059 0.193 0.000 1.227 981 L HN 0.538 nan 8.230 nan 0.000 0.417 982 K N 3.285 123.698 120.400 0.022 0.000 2.425 982 K HA 0.293 4.361 4.320 -0.421 0.000 0.259 982 K C 0.635 177.210 176.600 -0.042 0.000 0.978 982 K CA -0.348 55.929 56.287 -0.017 0.000 0.883 982 K CB 1.078 33.557 32.500 -0.035 0.000 1.110 982 K HN 0.750 nan 8.250 nan 0.000 0.436 983 Q N 2.198 121.979 119.800 -0.032 0.000 2.163 983 Q HA -0.017 4.070 4.340 -0.421 0.000 0.198 983 Q C -0.223 175.753 176.000 -0.040 0.000 0.954 983 Q CA 0.744 56.519 55.803 -0.046 0.000 0.851 983 Q CB -0.109 28.618 28.738 -0.018 0.000 0.928 983 Q HN 0.640 nan 8.270 nan 0.000 0.459 984 N N -0.888 117.795 118.700 -0.029 0.000 2.934 984 N HA 0.017 4.505 4.740 -0.421 0.000 0.253 984 N C -0.322 175.173 175.510 -0.025 0.000 1.466 984 N CA -0.391 52.643 53.050 -0.026 0.000 0.858 984 N CB 0.562 39.038 38.487 -0.018 0.000 1.459 984 N HN 0.121 nan 8.380 nan 0.000 0.532 985 E N -1.432 118.754 120.200 -0.024 0.000 2.333 985 E HA -0.141 3.956 4.350 -0.421 0.000 0.198 985 E C -0.398 176.190 176.600 -0.020 0.000 1.007 985 E CA 1.128 57.513 56.400 -0.024 0.000 0.845 985 E CB -0.314 29.372 29.700 -0.023 0.000 0.766 985 E HN 0.514 nan 8.360 nan 0.000 0.507 986 D N 0.382 120.772 120.400 -0.017 0.000 2.402 986 D HA 0.151 4.538 4.640 -0.421 0.000 0.216 986 D C -0.468 175.824 176.300 -0.012 0.000 1.128 986 D CA 0.151 54.143 54.000 -0.014 0.000 0.833 986 D CB 1.131 41.925 40.800 -0.011 0.000 0.971 986 D HN 0.009 nan 8.370 nan 0.000 0.503 987 S N 0.313 116.006 115.700 -0.012 0.000 2.562 987 S HA 0.409 4.626 4.470 -0.421 0.000 0.274 987 S C -1.331 173.264 174.600 -0.008 0.000 1.160 987 S CA -0.659 57.536 58.200 -0.008 0.000 0.933 987 S CB 1.206 64.404 63.200 -0.003 0.000 1.100 987 S HN 0.138 nan 8.310 nan 0.000 0.468 988 E N 2.604 122.801 120.200 -0.005 0.000 2.446 988 E HA 0.678 4.776 4.350 -0.421 0.000 0.269 988 E C -1.231 175.374 176.600 0.008 0.000 0.977 988 E CA -1.051 55.347 56.400 -0.004 0.000 0.854 988 E CB 1.324 31.015 29.700 -0.016 0.000 1.545 988 E HN 0.429 nan 8.360 nan 0.000 0.448 989 Q N 0.775 120.583 119.800 0.013 0.000 2.605 989 Q HA 0.353 4.440 4.340 -0.421 0.000 0.228 989 Q C -1.865 174.158 176.000 0.038 0.000 0.805 989 Q CA -0.110 55.713 55.803 0.032 0.000 0.894 989 Q CB 1.749 30.522 28.738 0.057 0.000 1.469 989 Q HN 0.557 nan 8.270 nan 0.000 0.445 990 S N 3.131 118.850 115.700 0.032 0.000 2.681 990 S HA 0.783 5.000 4.470 -0.421 0.000 0.299 990 S C -0.908 173.751 174.600 0.097 0.000 1.113 990 S CA -0.667 57.564 58.200 0.052 0.000 1.013 990 S CB 1.380 64.591 63.200 0.018 0.000 1.076 990 S HN 0.670 nan 8.310 nan 0.000 0.534 991 I N 1.727 122.395 120.570 0.164 0.000 2.894 991 I HA 0.502 4.420 4.170 -0.421 0.000 0.302 991 I C -1.669 174.570 176.117 0.202 0.000 1.188 991 I CA -0.480 60.917 61.300 0.162 0.000 1.014 991 I CB 1.772 39.882 38.000 0.183 0.000 1.242 991 I HN 0.920 nan 8.210 nan 0.000 0.430 992 N N 4.306 123.121 118.700 0.192 0.000 2.972 992 N HA 0.387 4.875 4.740 -0.421 0.000 0.262 992 N C -2.004 173.719 175.510 0.355 0.000 1.478 992 N CA -0.522 52.698 53.050 0.284 0.000 0.841 992 N CB 2.415 41.057 38.487 0.258 0.000 1.512 992 N HN 0.379 nan 8.380 nan 0.000 0.548 993 F N 1.166 121.279 119.950 0.272 0.000 2.529 993 F HA 0.590 4.864 4.527 -0.422 0.000 0.320 993 F C -1.252 174.673 175.800 0.209 0.000 1.118 993 F CA -0.637 57.487 58.000 0.206 0.000 0.915 993 F CB 1.615 40.736 39.000 0.203 0.000 1.161 993 F HN 0.545 nan 8.300 nan 0.000 0.445 994 S N 5.904 121.248 115.700 -0.593 0.000 2.596 994 S HA 0.480 4.697 4.470 -0.421 0.000 0.318 994 S C -0.997 172.884 174.600 -1.197 0.000 1.097 994 S CA -0.697 56.922 58.200 -0.967 0.000 1.080 994 S CB 0.444 63.242 63.200 -0.670 0.000 0.991 994 S HN 0.765 nan 8.310 nan 0.000 0.471 995 Y N 0.040 119.464 120.300 -1.460 0.000 2.304 995 Y HA 0.509 4.807 4.550 -0.421 0.000 0.327 995 Y C 0.104 175.571 175.900 -0.722 0.000 1.209 995 Y CA -0.930 56.470 58.100 -1.166 0.000 1.299 995 Y CB 0.234 37.836 38.460 -1.429 0.000 1.249 995 Y HN 0.615 nan 8.280 nan 0.000 0.519 996 D N 4.296 124.525 120.400 -0.285 0.000 2.346 996 D HA 0.049 4.437 4.640 -0.421 0.000 0.267 996 D C 0.798 177.068 176.300 -0.051 0.000 1.320 996 D CA 0.274 54.148 54.000 -0.211 0.000 0.951 996 D CB 0.145 40.837 40.800 -0.180 0.000 1.079 996 D HN 0.711 nan 8.370 nan 0.000 0.509 997 I N 2.142 122.596 120.570 -0.194 0.000 2.208 997 I HA -0.317 3.600 4.170 -0.421 0.000 0.245 997 I C 2.244 178.338 176.117 -0.037 0.000 1.097 997 I CA 0.629 61.862 61.300 -0.113 0.000 1.363 997 I CB -0.330 37.527 38.000 -0.238 0.000 1.051 997 I HN 0.397 nan 8.210 nan 0.000 0.413 998 S N 1.420 117.076 115.700 -0.073 0.000 2.378 998 S HA -0.222 3.995 4.470 -0.421 0.000 0.229 998 S C 1.311 175.896 174.600 -0.026 0.000 1.052 998 S CA 1.861 60.027 58.200 -0.057 0.000 1.084 998 S CB -0.486 62.671 63.200 -0.072 0.000 0.950 998 S HN 0.495 nan 8.310 nan 0.000 0.440 999 N N 1.633 120.334 118.700 0.002 0.000 2.295 999 N HA 0.166 4.653 4.740 -0.421 0.000 0.221 999 N C -0.641 174.934 175.510 0.108 0.000 1.129 999 N CA 0.089 53.163 53.050 0.040 0.000 0.836 999 N CB 0.049 38.563 38.487 0.044 0.000 1.040 999 N HN 0.318 nan 8.380 nan 0.000 0.494 1000 N N 0.141 118.903 118.700 0.103 0.000 2.716 1000 N HA 0.187 4.674 4.740 -0.421 0.000 0.245 1000 N C 0.182 175.744 175.510 0.088 0.000 1.495 1000 N CA -0.084 53.048 53.050 0.137 0.000 0.759 1000 N CB 1.478 40.071 38.487 0.176 0.000 1.261 1000 N HN 0.041 nan 8.380 nan 0.000 0.515 1001 A N 1.406 124.228 122.820 0.003 0.000 1.898 1001 A HA 0.118 4.185 4.320 -0.421 0.000 0.214 1001 A C -0.780 176.778 177.584 -0.044 0.000 1.183 1001 A CA 1.211 53.224 52.037 -0.040 0.000 0.622 1001 A CB -0.646 18.296 19.000 -0.098 0.000 0.824 1001 A HN 0.220 nan 8.150 nan 0.000 0.444 1002 P HA 0.286 nan 4.420 nan 0.000 0.253 1002 P C 0.443 177.782 177.300 0.066 0.000 1.260 1002 P CA 1.165 64.241 63.100 -0.040 0.000 0.800 1002 P CB 0.179 31.788 31.700 -0.151 0.000 1.162 1003 G N -0.477 108.367 108.800 0.073 0.000 2.587 1003 G HA2 -0.195 3.513 3.960 -0.421 0.000 0.686 1003 G HA3 -0.195 3.513 3.960 -0.421 0.000 0.686 1003 G C -1.589 173.297 174.900 -0.024 0.000 1.236 1003 G CA -1.016 44.111 45.100 0.045 0.000 0.820 1003 G HN 0.039 nan 8.290 nan 0.000 0.645 1004 Y N 2.193 122.225 120.300 -0.447 0.000 2.802 1004 Y HA 0.441 4.738 4.550 -0.420 0.000 0.330 1004 Y C 1.193 177.100 175.900 0.011 0.000 1.193 1004 Y CA -0.713 57.112 58.100 -0.458 0.000 1.427 1004 Y CB 0.177 37.764 38.460 -1.454 0.000 1.357 1004 Y HN 0.433 nan 8.280 nan 0.000 0.501 1005 N N 4.405 123.031 118.700 -0.124 0.000 2.320 1005 N HA 0.019 4.506 4.740 -0.421 0.000 0.237 1005 N C -0.398 175.014 175.510 -0.164 0.000 1.129 1005 N CA -0.071 52.760 53.050 -0.365 0.000 0.854 1005 N CB 0.296 38.135 38.487 -1.081 0.000 1.083 1005 N HN 0.597 nan 8.380 nan 0.000 0.504 1006 K N -0.586 119.963 120.400 0.248 0.000 2.123 1006 K HA 0.303 4.370 4.320 -0.421 0.000 0.248 1006 K C -0.727 176.289 176.600 0.694 0.000 0.969 1006 K CA -0.739 55.867 56.287 0.532 0.000 0.882 1006 K CB 1.263 34.062 32.500 0.497 0.000 1.080 1006 K HN -0.139 nan 8.250 nan 0.000 0.441 1007 W N 2.016 123.707 121.300 0.652 0.000 2.170 1007 W HA 0.279 4.685 4.660 -0.422 0.000 0.336 1007 W C -0.218 176.935 176.519 1.057 0.000 1.283 1007 W CA 0.028 57.796 57.345 0.706 0.000 1.224 1007 W CB 0.488 30.232 29.460 0.473 0.000 1.132 1007 W HN 0.533 nan 8.180 nan 0.000 0.571 1008 F N 1.723 122.277 119.950 1.006 0.000 2.641 1008 F HA 0.493 4.767 4.527 -0.421 0.000 0.308 1008 F C -1.623 174.292 175.800 0.191 0.000 1.105 1008 F CA -1.939 56.432 58.000 0.618 0.000 0.964 1008 F CB 0.761 40.022 39.000 0.435 0.000 1.294 1008 F HN 0.144 nan 8.300 nan 0.000 0.442 1009 F N 3.754 123.398 119.950 -0.509 0.000 2.411 1009 F HA 0.705 4.979 4.527 -0.422 0.000 0.355 1009 F C -0.840 174.574 175.800 -0.643 0.000 1.117 1009 F CA -0.792 56.551 58.000 -1.094 0.000 1.139 1009 F CB 1.026 39.201 39.000 -1.374 0.000 1.120 1009 F HN 0.431 nan 8.300 nan 0.000 0.493 1010 V N 4.325 123.459 119.914 -1.300 0.000 2.966 1010 V HA 0.675 4.542 4.120 -0.421 0.000 0.317 1010 V C -0.460 174.842 176.094 -1.319 0.000 1.070 1010 V CA -0.558 61.080 62.300 -1.103 0.000 1.008 1010 V CB 2.090 33.169 31.823 -1.241 0.000 1.070 1010 V HN 0.833 nan 8.190 nan 0.000 0.457 1011 T N 1.510 115.604 114.554 -0.767 0.000 3.705 1011 T HA 0.342 4.440 4.350 -0.421 0.000 0.342 1011 T C -1.062 173.458 174.700 -0.301 0.000 1.043 1011 T CA -0.357 61.387 62.100 -0.593 0.000 1.071 1011 T CB 1.357 69.871 68.868 -0.591 0.000 1.124 1011 T HN 0.333 nan 8.240 nan 0.000 0.467 1012 V N 3.831 123.538 119.914 -0.344 0.000 2.459 1012 V HA 0.811 4.678 4.120 -0.421 0.000 0.295 1012 V C 0.411 176.288 176.094 -0.361 0.000 1.029 1012 V CA -0.590 61.474 62.300 -0.392 0.000 0.874 1012 V CB 1.918 33.277 31.823 -0.774 0.000 0.985 1012 V HN 1.073 nan 8.190 nan 0.000 0.438 1013 T N 1.659 116.037 114.554 -0.293 0.000 2.863 1013 T HA 0.680 4.777 4.350 -0.421 0.000 0.285 1013 T C -0.749 173.691 174.700 -0.433 0.000 1.009 1013 T CA -0.822 61.087 62.100 -0.318 0.000 0.989 1013 T CB 1.766 70.540 68.868 -0.157 0.000 1.004 1013 T HN 0.560 nan 8.240 nan 0.000 0.455 1014 N N 1.742 120.040 118.700 -0.670 0.000 2.310 1014 N HA 0.438 4.926 4.740 -0.421 0.000 0.292 1014 N C -1.783 173.427 175.510 -0.500 0.000 1.049 1014 N CA -0.577 52.074 53.050 -0.665 0.000 0.849 1014 N CB 1.717 39.544 38.487 -1.100 0.000 1.532 1014 N HN 0.720 nan 8.380 nan 0.000 0.479 1015 N N 4.801 123.349 118.700 -0.252 0.000 2.549 1015 N HA 0.193 4.680 4.740 -0.421 0.000 0.281 1015 N C 0.355 175.831 175.510 -0.057 0.000 1.084 1015 N CA -0.325 52.642 53.050 -0.138 0.000 0.862 1015 N CB 0.908 39.336 38.487 -0.097 0.000 1.333 1015 N HN 0.566 nan 8.380 nan 0.000 0.523 1016 M N 1.782 121.379 119.600 -0.004 0.000 2.202 1016 M HA -0.032 4.195 4.480 -0.421 0.000 0.262 1016 M C 1.106 177.431 176.300 0.041 0.000 1.063 1016 M CA 1.268 56.603 55.300 0.058 0.000 1.097 1016 M CB -0.330 32.345 32.600 0.124 0.000 1.382 1016 M HN 0.548 nan 8.290 nan 0.000 0.413 1017 M N -0.437 119.178 119.600 0.025 0.000 2.571 1017 M HA 0.249 4.476 4.480 -0.421 0.000 0.235 1017 M C 0.915 177.218 176.300 0.005 0.000 1.216 1017 M CA 0.119 55.431 55.300 0.019 0.000 0.979 1017 M CB -0.645 31.966 32.600 0.020 0.000 1.616 1017 M HN 0.289 nan 8.290 nan 0.000 0.469 1018 G N -0.032 108.766 108.800 -0.004 0.000 3.078 1018 G HA2 0.226 3.933 3.960 -0.421 0.000 0.131 1018 G HA3 0.226 3.933 3.960 -0.421 0.000 0.131 1018 G C -0.713 174.175 174.900 -0.020 0.000 1.219 1018 G CA -0.512 44.580 45.100 -0.014 0.000 1.319 1018 G HN 0.251 nan 8.290 nan 0.000 0.653 1019 N N 0.597 119.276 118.700 -0.035 0.000 2.472 1019 N HA 0.530 5.018 4.740 -0.421 0.000 0.289 1019 N C -0.808 174.662 175.510 -0.067 0.000 1.156 1019 N CA -0.352 52.674 53.050 -0.041 0.000 0.940 1019 N CB 2.073 40.535 38.487 -0.042 0.000 1.200 1019 N HN 0.531 nan 8.380 nan 0.000 0.511 1020 M N 1.426 120.994 119.600 -0.052 0.000 2.243 1020 M HA 0.371 4.598 4.480 -0.421 0.000 0.324 1020 M C -1.511 174.749 176.300 -0.067 0.000 1.031 1020 M CA -0.396 54.865 55.300 -0.066 0.000 0.949 1020 M CB 0.983 33.593 32.600 0.016 0.000 1.615 1020 M HN 0.427 nan 8.290 nan 0.000 0.430 1021 K N 4.832 125.167 120.400 -0.108 0.000 2.495 1021 K HA 0.733 4.800 4.320 -0.421 0.000 0.268 1021 K C -1.561 174.954 176.600 -0.142 0.000 1.008 1021 K CA -1.008 55.196 56.287 -0.138 0.000 0.882 1021 K CB 2.915 35.286 32.500 -0.216 0.000 1.443 1021 K HN 0.828 nan 8.250 nan 0.000 0.447 1022 I N 0.992 121.444 120.570 -0.197 0.000 2.619 1022 I HA 0.438 4.356 4.170 -0.421 0.000 0.292 1022 I C -1.812 174.177 176.117 -0.214 0.000 1.100 1022 I CA -0.778 60.454 61.300 -0.113 0.000 1.043 1022 I CB 1.535 39.518 38.000 -0.028 0.000 1.239 1022 I HN 0.637 nan 8.210 nan 0.000 0.420 1023 Y N 6.576 126.736 120.300 -0.234 0.000 2.446 1023 Y HA 0.610 4.907 4.550 -0.422 0.000 0.345 1023 Y C -0.649 175.042 175.900 -0.349 0.000 0.984 1023 Y CA -1.073 56.871 58.100 -0.259 0.000 1.058 1023 Y CB 2.059 40.356 38.460 -0.271 0.000 1.220 1023 Y HN 0.316 nan 8.280 nan 0.000 0.455 1024 I N 3.705 124.138 120.570 -0.228 0.000 2.410 1024 I HA 0.298 4.215 4.170 -0.421 0.000 0.286 1024 I C -0.533 175.352 176.117 -0.386 0.000 1.009 1024 I CA -0.869 60.214 61.300 -0.362 0.000 1.111 1024 I CB 0.901 38.497 38.000 -0.674 0.000 1.262 1024 I HN 0.688 nan 8.210 nan 0.000 0.443 1025 N N 5.459 123.918 118.700 -0.401 0.000 2.756 1025 N HA -0.186 4.301 4.740 -0.421 0.000 0.248 1025 N C 1.009 175.881 175.510 -1.063 0.000 1.062 1025 N CA 1.097 53.692 53.050 -0.758 0.000 0.696 1025 N CB -1.043 37.177 38.487 -0.444 0.000 0.946 1025 N HN 1.151 nan 8.380 nan 0.000 0.548 1026 G N -1.123 107.235 108.800 -0.736 0.000 2.184 1026 G HA2 -0.371 3.337 3.960 -0.421 0.000 0.264 1026 G HA3 -0.371 3.337 3.960 -0.421 0.000 0.264 1026 G C 0.086 174.874 174.900 -0.187 0.000 0.975 1026 G CA 1.036 45.849 45.100 -0.478 0.000 0.642 1026 G HN 0.594 nan 8.290 nan 0.000 0.536 1027 K N -0.010 120.286 120.400 -0.174 0.000 2.206 1027 K HA 0.672 4.739 4.320 -0.421 0.000 0.264 1027 K C 0.082 176.646 176.600 -0.059 0.000 0.967 1027 K CA -1.052 55.180 56.287 -0.091 0.000 0.844 1027 K CB 1.018 33.397 32.500 -0.203 0.000 1.099 1027 K HN 0.133 nan 8.250 nan 0.000 0.441 1028 L N 6.130 127.268 121.223 -0.141 0.000 2.462 1028 L HA 0.093 4.180 4.340 -0.421 0.000 0.272 1028 L C 0.207 176.915 176.870 -0.270 0.000 1.166 1028 L CA 0.606 55.127 54.840 -0.531 0.000 0.880 1028 L CB 0.362 42.115 42.059 -0.511 0.000 1.142 1028 L HN 0.788 nan 8.230 nan 0.000 0.473 1029 I N 2.240 122.659 120.570 -0.251 0.000 3.300 1029 I HA 0.274 4.191 4.170 -0.421 0.000 0.279 1029 I C 0.227 176.320 176.117 -0.039 0.000 1.172 1029 I CA 0.478 61.749 61.300 -0.048 0.000 1.431 1029 I CB -0.502 37.544 38.000 0.077 0.000 1.240 1029 I HN 0.583 nan 8.210 nan 0.000 0.453 1030 D N -0.391 119.950 120.400 -0.098 0.000 2.661 1030 D HA 0.457 4.844 4.640 -0.421 0.000 0.228 1030 D C -0.935 175.293 176.300 -0.119 0.000 1.183 1030 D CA -0.043 53.923 54.000 -0.058 0.000 0.844 1030 D CB 2.783 43.596 40.800 0.022 0.000 1.555 1030 D HN -0.070 nan 8.370 nan 0.000 0.453 1031 T N 1.493 115.997 114.554 -0.082 0.000 2.883 1031 T HA 0.776 4.874 4.350 -0.421 0.000 0.301 1031 T C -1.768 172.908 174.700 -0.041 0.000 1.158 1031 T CA -0.430 61.618 62.100 -0.087 0.000 1.007 1031 T CB 0.979 69.787 68.868 -0.100 0.000 1.186 1031 T HN 0.351 nan 8.240 nan 0.000 0.499 1032 I N 2.088 122.640 120.570 -0.031 0.000 2.793 1032 I HA 0.575 4.493 4.170 -0.421 0.000 0.295 1032 I C -1.912 174.201 176.117 -0.006 0.000 1.610 1032 I CA -0.752 60.542 61.300 -0.010 0.000 0.986 1032 I CB 2.104 40.110 38.000 0.009 0.000 1.402 1032 I HN 0.658 nan 8.210 nan 0.000 0.500 1033 K N 4.769 125.169 120.400 -0.000 0.000 2.297 1033 K HA 0.593 4.660 4.320 -0.421 0.000 0.286 1033 K C -1.358 175.252 176.600 0.017 0.000 1.053 1033 K CA -0.187 56.102 56.287 0.003 0.000 0.940 1033 K CB 0.819 33.320 32.500 0.003 0.000 1.019 1033 K HN 0.408 nan 8.250 nan 0.000 0.475 1034 V N 6.172 126.098 119.914 0.020 0.000 2.572 1034 V HA 0.088 3.955 4.120 -0.421 0.000 0.291 1034 V C 0.520 176.638 176.094 0.040 0.000 1.039 1034 V CA -0.222 62.102 62.300 0.040 0.000 1.055 1034 V CB 0.299 32.150 31.823 0.046 0.000 0.969 1034 V HN 0.865 nan 8.190 nan 0.000 0.482 1035 K N 3.877 124.304 120.400 0.044 0.000 2.098 1035 K HA 0.431 4.498 4.320 -0.421 0.000 0.244 1035 K C -0.080 176.548 176.600 0.047 0.000 1.014 1035 K CA -0.772 55.538 56.287 0.038 0.000 0.917 1035 K CB 1.094 33.613 32.500 0.031 0.000 1.072 1035 K HN 0.523 nan 8.250 nan 0.000 0.477 1036 E N 1.377 121.601 120.200 0.040 0.000 2.311 1036 E HA -0.052 4.045 4.350 -0.421 0.000 0.247 1036 E C -0.221 176.408 176.600 0.049 0.000 1.215 1036 E CA 0.069 56.496 56.400 0.046 0.000 0.957 1036 E CB -0.068 29.653 29.700 0.035 0.000 1.020 1036 E HN 0.390 nan 8.360 nan 0.000 0.461 1037 L N 3.548 124.811 121.223 0.067 0.000 2.851 1037 L HA 0.043 4.130 4.340 -0.421 0.000 0.237 1037 L C 0.816 177.722 176.870 0.061 0.000 1.257 1037 L CA -0.347 54.530 54.840 0.062 0.000 1.061 1037 L CB -0.511 41.598 42.059 0.084 0.000 1.372 1037 L HN 0.418 nan 8.230 nan 0.000 0.493 1038 T N -2.202 112.387 114.554 0.059 0.000 2.923 1038 T HA 0.171 4.268 4.350 -0.421 0.000 0.304 1038 T C 1.387 176.111 174.700 0.041 0.000 1.044 1038 T CA 0.499 62.633 62.100 0.056 0.000 1.141 1038 T CB 1.011 69.904 68.868 0.042 0.000 1.023 1038 T HN 0.593 nan 8.240 nan 0.000 0.533 1039 G N 2.607 111.435 108.800 0.047 0.000 2.175 1039 G HA2 -0.249 3.458 3.960 -0.421 0.000 0.244 1039 G HA3 -0.249 3.458 3.960 -0.421 0.000 0.244 1039 G C 0.162 175.073 174.900 0.017 0.000 0.982 1039 G CA -0.046 45.072 45.100 0.030 0.000 0.641 1039 G HN 1.116 nan 8.290 nan 0.000 0.527 1040 I N 1.070 121.643 120.570 0.004 0.000 2.710 1040 I HA 0.243 4.160 4.170 -0.421 0.000 0.286 1040 I C -0.394 175.649 176.117 -0.124 0.000 1.181 1040 I CA -0.160 61.068 61.300 -0.120 0.000 1.430 1040 I CB 0.386 38.256 38.000 -0.217 0.000 1.367 1040 I HN 0.111 nan 8.210 nan 0.000 0.577 1041 N N 7.543 126.121 118.700 -0.204 0.000 2.569 1041 N HA 0.273 4.760 4.740 -0.421 0.000 0.254 1041 N C -1.196 174.201 175.510 -0.188 0.000 1.004 1041 N CA -0.403 52.609 53.050 -0.064 0.000 0.904 1041 N CB 0.763 39.262 38.487 0.021 0.000 1.165 1041 N HN 0.294 nan 8.380 nan 0.000 0.513 1042 F N 0.805 120.814 119.950 0.099 0.000 2.529 1042 F HA 0.097 4.371 4.527 -0.421 0.000 0.365 1042 F C 1.621 177.440 175.800 0.032 0.000 1.102 1042 F CA 0.008 58.002 58.000 -0.010 0.000 1.271 1042 F CB 0.649 39.541 39.000 -0.180 0.000 1.120 1042 F HN 0.158 nan 8.300 nan 0.000 0.579 1043 S N 2.279 118.063 115.700 0.139 0.000 2.541 1043 S HA 0.264 4.482 4.470 -0.421 0.000 0.283 1043 S C 0.866 175.497 174.600 0.052 0.000 1.196 1043 S CA -0.889 57.337 58.200 0.043 0.000 1.062 1043 S CB 0.778 63.934 63.200 -0.074 0.000 1.009 1043 S HN 0.740 nan 8.310 nan 0.000 0.502 1044 K N 2.023 122.458 120.400 0.058 0.000 2.459 1044 K HA 0.104 4.171 4.320 -0.421 0.000 0.193 1044 K C 0.084 176.701 176.600 0.030 0.000 1.030 1044 K CA 0.365 56.691 56.287 0.065 0.000 1.026 1044 K CB -0.154 32.391 32.500 0.075 0.000 0.809 1044 K HN 0.416 nan 8.250 nan 0.000 0.504 1045 T N 2.171 116.713 114.554 -0.021 0.000 2.795 1045 T HA 0.453 4.551 4.350 -0.421 0.000 0.282 1045 T C -0.428 174.194 174.700 -0.130 0.000 0.980 1045 T CA -0.565 61.506 62.100 -0.048 0.000 1.012 1045 T CB 0.971 69.806 68.868 -0.055 0.000 0.936 1045 T HN 0.118 nan 8.240 nan 0.000 0.457 1046 I N 3.048 123.564 120.570 -0.089 0.000 2.410 1046 I HA 0.309 4.226 4.170 -0.421 0.000 0.286 1046 I C -0.021 176.025 176.117 -0.118 0.000 1.009 1046 I CA -0.694 60.491 61.300 -0.191 0.000 1.111 1046 I CB 1.896 39.875 38.000 -0.034 0.000 1.262 1046 I HN 0.475 nan 8.210 nan 0.000 0.443 1047 T N 6.266 120.688 114.554 -0.220 0.000 2.788 1047 T HA 0.479 4.576 4.350 -0.421 0.000 0.296 1047 T C -0.376 174.237 174.700 -0.145 0.000 1.009 1047 T CA -0.313 61.731 62.100 -0.094 0.000 0.949 1047 T CB 0.258 69.071 68.868 -0.092 0.000 0.946 1047 T HN 0.125 nan 8.240 nan 0.000 0.453 1048 F N 2.862 122.741 119.950 -0.118 0.000 2.420 1048 F HA 0.506 4.780 4.527 -0.422 0.000 0.352 1048 F C 0.945 176.724 175.800 -0.035 0.000 1.108 1048 F CA -0.328 57.631 58.000 -0.068 0.000 1.162 1048 F CB 0.733 39.734 39.000 0.002 0.000 1.118 1048 F HN 0.518 nan 8.300 nan 0.000 0.510 1049 E N 3.645 123.904 120.200 0.098 0.000 3.097 1049 E HA 0.152 4.249 4.350 -0.421 0.000 0.325 1049 E C -1.805 174.820 176.600 0.041 0.000 1.093 1049 E CA -0.708 55.730 56.400 0.063 0.000 0.893 1049 E CB 1.047 30.768 29.700 0.035 0.000 1.209 1049 E HN 0.355 nan 8.360 nan 0.000 0.462 1050 I N 3.750 124.345 120.570 0.041 0.000 2.436 1050 I HA 0.240 4.158 4.170 -0.421 0.000 0.289 1050 I C -0.282 175.934 176.117 0.163 0.000 1.083 1050 I CA -0.022 61.320 61.300 0.070 0.000 1.372 1050 I CB -0.159 37.831 38.000 -0.018 0.000 1.408 1050 I HN 0.403 nan 8.210 nan 0.000 0.516 1051 N N 6.104 124.943 118.700 0.232 0.000 2.430 1051 N HA 0.175 4.663 4.740 -0.421 0.000 0.290 1051 N C -0.462 175.084 175.510 0.060 0.000 1.063 1051 N CA -0.652 52.485 53.050 0.145 0.000 0.883 1051 N CB 2.554 41.069 38.487 0.046 0.000 1.465 1051 N HN 0.455 nan 8.380 nan 0.000 0.493 1052 K N 2.082 122.388 120.400 -0.156 0.000 2.412 1052 K HA 0.180 4.247 4.320 -0.421 0.000 0.281 1052 K C 0.066 176.507 176.600 -0.266 0.000 1.027 1052 K CA -0.332 55.630 56.287 -0.541 0.000 0.989 1052 K CB 0.513 32.695 32.500 -0.529 0.000 0.935 1052 K HN 0.347 nan 8.250 nan 0.000 0.475 1053 I N 6.447 126.864 120.570 -0.255 0.000 2.779 1053 I HA 0.080 3.997 4.170 -0.421 0.000 0.285 1053 I C -1.923 174.126 176.117 -0.114 0.000 1.134 1053 I CA -2.281 58.941 61.300 -0.130 0.000 1.398 1053 I CB 0.467 38.415 38.000 -0.086 0.000 1.404 1053 I HN 0.597 nan 8.210 nan 0.000 0.587 1054 P HA -0.008 nan 4.420 nan 0.000 0.256 1054 P C -0.560 176.708 177.300 -0.054 0.000 1.189 1054 P CA 0.113 63.178 63.100 -0.059 0.000 0.808 1054 P CB -0.049 31.624 31.700 -0.045 0.000 0.793 1055 D N 1.768 122.135 120.400 -0.055 0.000 2.075 1055 D HA -0.018 4.369 4.640 -0.421 0.000 0.230 1055 D C 0.627 176.909 176.300 -0.030 0.000 1.393 1055 D CA 0.847 54.821 54.000 -0.043 0.000 0.911 1055 D CB 0.259 41.037 40.800 -0.037 0.000 1.430 1055 D HN 0.237 nan 8.370 nan 0.000 0.543 1060 T N 1.712 116.270 114.554 0.006 0.000 4.553 1060 T HA 0.270 4.367 4.350 -0.421 0.000 0.321 1060 T C -0.802 173.901 174.700 0.006 0.000 0.893 1060 T CA 0.027 62.127 62.100 -0.000 0.000 0.879 1060 T CB 0.007 68.875 68.868 -0.001 0.000 1.001 1060 T HN 0.529 nan 8.240 nan 0.000 0.439 1061 S N 0.929 116.637 115.700 0.013 0.000 2.638 1061 S HA 0.605 4.822 4.470 -0.421 0.000 0.302 1061 S C -1.178 173.438 174.600 0.026 0.000 1.096 1061 S CA -0.797 57.416 58.200 0.020 0.000 0.953 1061 S CB 1.667 64.883 63.200 0.027 0.000 1.107 1061 S HN 0.347 nan 8.310 nan 0.000 0.503 1062 D N 1.706 122.124 120.400 0.030 0.000 2.456 1062 D HA 0.414 4.801 4.640 -0.421 0.000 0.219 1062 D C -0.261 176.071 176.300 0.055 0.000 1.126 1062 D CA 0.111 54.134 54.000 0.039 0.000 0.890 1062 D CB 0.619 41.437 40.800 0.031 0.000 1.025 1062 D HN 0.193 nan 8.370 nan 0.000 0.511 1063 S N 1.153 116.899 115.700 0.076 0.000 2.645 1063 S HA 0.167 4.384 4.470 -0.421 0.000 0.266 1063 S C 0.184 174.840 174.600 0.093 0.000 1.258 1063 S CA -0.868 57.387 58.200 0.091 0.000 0.990 1063 S CB 0.581 63.854 63.200 0.121 0.000 0.967 1063 S HN 0.387 nan 8.310 nan 0.000 0.556 1064 D N 1.728 122.179 120.400 0.085 0.000 2.346 1064 D HA 0.028 4.415 4.640 -0.421 0.000 0.236 1064 D C 0.415 176.759 176.300 0.074 0.000 1.259 1064 D CA 0.015 54.059 54.000 0.072 0.000 0.898 1064 D CB 0.226 41.066 40.800 0.066 0.000 1.178 1064 D HN 0.360 nan 8.370 nan 0.000 0.457 1065 N N 0.809 119.540 118.700 0.050 0.000 2.520 1065 N HA 0.145 4.632 4.740 -0.421 0.000 0.273 1065 N C -1.009 174.499 175.510 -0.003 0.000 1.155 1065 N CA -0.367 52.699 53.050 0.027 0.000 0.967 1065 N CB 0.430 38.926 38.487 0.014 0.000 1.092 1065 N HN 0.485 nan 8.380 nan 0.000 0.457 1066 I N 0.282 120.816 120.570 -0.060 0.000 2.474 1066 I HA 0.514 4.432 4.170 -0.421 0.000 0.294 1066 I C -0.523 175.497 176.117 -0.162 0.000 1.005 1066 I CA -1.009 60.230 61.300 -0.102 0.000 1.113 1066 I CB 1.628 39.511 38.000 -0.195 0.000 1.289 1066 I HN 0.232 nan 8.210 nan 0.000 0.436 1067 N N 6.240 124.838 118.700 -0.170 0.000 2.466 1067 N HA 0.561 5.049 4.740 -0.421 0.000 0.294 1067 N C -1.268 174.005 175.510 -0.396 0.000 1.129 1067 N CA -0.544 52.257 53.050 -0.414 0.000 0.931 1067 N CB 2.348 40.396 38.487 -0.732 0.000 1.193 1067 N HN 0.747 nan 8.380 nan 0.000 0.500 1068 M N 1.088 120.374 119.600 -0.522 0.000 2.327 1068 M HA 0.406 4.634 4.480 -0.421 0.000 0.298 1068 M C -1.864 174.201 176.300 -0.391 0.000 1.065 1068 M CA -0.655 54.484 55.300 -0.267 0.000 0.916 1068 M CB 2.120 34.620 32.600 -0.167 0.000 1.630 1068 M HN 0.436 nan 8.290 nan 0.000 0.442 1069 W N 5.950 127.067 121.300 -0.305 0.000 2.587 1069 W HA 0.547 4.955 4.660 -0.420 0.000 0.324 1069 W C -1.054 175.309 176.519 -0.260 0.000 1.040 1069 W CA -0.819 56.330 57.345 -0.327 0.000 1.222 1069 W CB 1.825 30.985 29.460 -0.500 0.000 1.381 1069 W HN 0.448 nan 8.180 nan 0.000 0.483 1070 I N 3.314 123.757 120.570 -0.211 0.000 2.689 1070 I HA 0.540 4.457 4.170 -0.421 0.000 0.299 1070 I C -0.092 176.020 176.117 -0.009 0.000 1.059 1070 I CA -1.130 60.060 61.300 -0.183 0.000 1.055 1070 I CB 2.200 39.770 38.000 -0.717 0.000 1.243 1070 I HN 0.399 nan 8.210 nan 0.000 0.425 1071 R N 4.407 125.102 120.500 0.324 0.000 2.535 1071 R HA 0.245 4.332 4.340 -0.421 0.000 0.274 1071 R C -1.538 174.985 176.300 0.372 0.000 1.090 1071 R CA -0.333 55.932 56.100 0.277 0.000 0.930 1071 R CB 1.490 31.819 30.300 0.047 0.000 1.223 1071 R HN 0.684 nan 8.270 nan 0.000 0.441 1072 D N 3.333 123.930 120.400 0.329 0.000 2.904 1072 D HA -0.252 4.135 4.640 -0.421 0.000 0.231 1072 D C -0.894 175.480 176.300 0.124 0.000 1.185 1072 D CA 1.160 55.319 54.000 0.265 0.000 0.783 1072 D CB -0.862 39.987 40.800 0.081 0.000 0.961 1072 D HN 0.362 nan 8.370 nan 0.000 0.409 1073 F N 1.910 122.042 119.950 0.304 0.000 2.445 1073 F HA 0.373 4.647 4.527 -0.422 0.000 0.359 1073 F C -0.252 175.877 175.800 0.548 0.000 1.101 1073 F CA -0.160 58.062 58.000 0.368 0.000 1.177 1073 F CB 0.425 39.667 39.000 0.403 0.000 1.110 1073 F HN 0.031 nan 8.300 nan 0.000 0.522 1074 Y N 6.068 126.195 120.300 -0.287 0.000 2.570 1074 Y HA 0.684 4.982 4.550 -0.421 0.000 0.345 1074 Y C -0.312 175.308 175.900 -0.466 0.000 1.014 1074 Y CA -1.640 56.286 58.100 -0.291 0.000 1.063 1074 Y CB 2.265 40.620 38.460 -0.175 0.000 1.272 1074 Y HN 0.168 nan 8.280 nan 0.000 0.477 1075 I N 2.199 122.614 120.570 -0.258 0.000 2.607 1075 I HA 0.313 4.231 4.170 -0.421 0.000 0.290 1075 I C -1.497 174.434 176.117 -0.310 0.000 1.129 1075 I CA -0.552 60.643 61.300 -0.176 0.000 1.042 1075 I CB 2.130 40.066 38.000 -0.107 0.000 1.242 1075 I HN 0.439 nan 8.210 nan 0.000 0.421 1076 F N 2.730 122.663 119.950 -0.029 0.000 2.538 1076 F HA 0.530 4.804 4.527 -0.421 0.000 0.325 1076 F C 1.072 176.869 175.800 -0.005 0.000 1.066 1076 F CA -0.709 57.279 58.000 -0.020 0.000 0.946 1076 F CB 1.919 40.916 39.000 -0.005 0.000 1.199 1076 F HN 0.515 nan 8.300 nan 0.000 0.473 1077 A N 1.816 124.728 122.820 0.153 0.000 2.259 1077 A HA 0.131 4.198 4.320 -0.421 0.000 0.208 1077 A C 0.331 177.982 177.584 0.111 0.000 1.201 1077 A CA 0.284 52.377 52.037 0.094 0.000 0.824 1077 A CB -0.871 18.149 19.000 0.033 0.000 0.838 1077 A HN 0.718 nan 8.150 nan 0.000 0.485 1078 K N -0.834 119.642 120.400 0.128 0.000 2.509 1078 K HA 0.452 4.519 4.320 -0.421 0.000 0.266 1078 K C -0.830 175.759 176.600 -0.020 0.000 0.987 1078 K CA -0.782 55.533 56.287 0.046 0.000 0.868 1078 K CB 1.023 33.541 32.500 0.029 0.000 1.421 1078 K HN -0.024 nan 8.250 nan 0.000 0.444 1079 E N 3.145 123.301 120.200 -0.074 0.000 1.865 1079 E HA 0.107 4.204 4.350 -0.421 0.000 0.269 1079 E C -0.548 175.961 176.600 -0.152 0.000 1.177 1079 E CA -0.437 55.882 56.400 -0.134 0.000 0.932 1079 E CB 0.156 29.779 29.700 -0.128 0.000 1.066 1079 E HN 0.423 nan 8.360 nan 0.000 0.405 1080 L N 3.775 124.862 121.223 -0.227 0.000 2.483 1080 L HA 0.014 4.101 4.340 -0.421 0.000 0.276 1080 L C 0.632 177.358 176.870 -0.240 0.000 1.213 1080 L CA 0.001 54.673 54.840 -0.280 0.000 0.843 1080 L CB 0.085 41.874 42.059 -0.451 0.000 1.107 1080 L HN 0.614 nan 8.230 nan 0.000 0.487 1081 D N 1.061 121.343 120.400 -0.198 0.000 2.326 1081 D HA 0.266 4.653 4.640 -0.421 0.000 0.248 1081 D C 1.071 177.253 176.300 -0.197 0.000 1.001 1081 D CA -0.251 53.662 54.000 -0.145 0.000 0.961 1081 D CB 1.264 42.016 40.800 -0.080 0.000 1.183 1081 D HN 0.496 nan 8.370 nan 0.000 0.502 1082 G N 0.602 109.330 108.800 -0.120 0.000 2.703 1082 G HA2 -0.472 3.236 3.960 -0.421 0.000 0.222 1082 G HA3 -0.472 3.236 3.960 -0.421 0.000 0.222 1082 G C 1.252 176.073 174.900 -0.132 0.000 1.183 1082 G CA 1.773 46.801 45.100 -0.121 0.000 0.775 1082 G HN 0.717 nan 8.290 nan 0.000 0.615 1083 K N 0.508 120.858 120.400 -0.083 0.000 2.020 1083 K HA -0.189 3.879 4.320 -0.421 0.000 0.212 1083 K C 2.153 178.705 176.600 -0.080 0.000 1.050 1083 K CA 2.146 58.395 56.287 -0.065 0.000 0.929 1083 K CB -0.376 32.097 32.500 -0.046 0.000 0.714 1083 K HN 0.346 nan 8.250 nan 0.000 0.443 1084 D N 0.317 120.652 120.400 -0.109 0.000 2.178 1084 D HA -0.077 4.310 4.640 -0.421 0.000 0.202 1084 D C 1.818 178.033 176.300 -0.141 0.000 0.974 1084 D CA 1.152 55.083 54.000 -0.117 0.000 0.841 1084 D CB 0.073 40.785 40.800 -0.146 0.000 0.953 1084 D HN 0.268 nan 8.370 nan 0.000 0.478 1085 I N 0.625 121.072 120.570 -0.205 0.000 2.202 1085 I HA -0.245 3.672 4.170 -0.421 0.000 0.242 1085 I C 1.571 177.643 176.117 -0.075 0.000 1.091 1085 I CA 1.063 62.232 61.300 -0.219 0.000 1.368 1085 I CB -0.213 37.504 38.000 -0.472 0.000 1.058 1085 I HN -0.023 nan 8.210 nan 0.000 0.410 1086 N N 0.802 119.459 118.700 -0.071 0.000 2.331 1086 N HA -0.041 4.446 4.740 -0.421 0.000 0.180 1086 N C 1.818 177.371 175.510 0.071 0.000 1.019 1086 N CA 0.870 53.946 53.050 0.042 0.000 0.881 1086 N CB -0.107 38.392 38.487 0.019 0.000 0.972 1086 N HN 0.305 nan 8.380 nan 0.000 0.435 1087 I N -0.150 120.422 120.570 0.003 0.000 2.252 1087 I HA -0.217 3.701 4.170 -0.421 0.000 0.245 1087 I C 1.977 178.089 176.117 -0.009 0.000 1.102 1087 I CA 0.679 61.975 61.300 -0.005 0.000 1.385 1087 I CB -0.103 37.886 38.000 -0.017 0.000 1.064 1087 I HN 0.176 nan 8.210 nan 0.000 0.414 1088 L N 0.671 121.893 121.223 -0.002 0.000 2.027 1088 L HA -0.225 3.862 4.340 -0.421 0.000 0.206 1088 L C 2.346 179.140 176.870 -0.127 0.000 1.074 1088 L CA 1.709 56.558 54.840 0.015 0.000 0.745 1088 L CB -0.903 41.208 42.059 0.087 0.000 0.898 1088 L HN 0.194 nan 8.230 nan 0.000 0.433 1089 F N 0.524 120.235 119.950 -0.399 0.000 2.115 1089 F HA -0.373 3.901 4.527 -0.422 0.000 0.300 1089 F C 1.885 177.492 175.800 -0.321 0.000 1.092 1089 F CA 2.366 59.960 58.000 -0.676 0.000 1.245 1089 F CB -0.151 38.617 39.000 -0.386 0.000 0.995 1089 F HN 0.335 nan 8.300 nan 0.000 0.481 1090 N N -0.759 117.751 118.700 -0.316 0.000 2.368 1090 N HA -0.111 4.376 4.740 -0.421 0.000 0.176 1090 N C 1.814 177.178 175.510 -0.243 0.000 1.021 1090 N CA 0.749 53.587 53.050 -0.353 0.000 0.888 1090 N CB -0.259 38.111 38.487 -0.194 0.000 0.995 1090 N HN 0.211 nan 8.380 nan 0.000 0.437 1091 S N 0.753 116.365 115.700 -0.147 0.000 2.414 1091 S HA -0.161 4.056 4.470 -0.421 0.000 0.241 1091 S C 0.507 175.047 174.600 -0.099 0.000 1.079 1091 S CA 1.071 59.222 58.200 -0.081 0.000 1.087 1091 S CB -0.399 62.805 63.200 0.007 0.000 0.927 1091 S HN 0.317 nan 8.310 nan 0.000 0.456 1092 L N 0.765 121.927 121.223 -0.101 0.000 2.384 1092 L HA 0.709 4.796 4.340 -0.421 0.000 0.261 1092 L C -0.675 176.093 176.870 -0.169 0.000 1.024 1092 L CA -0.155 54.638 54.840 -0.079 0.000 0.899 1092 L CB -0.197 41.901 42.059 0.065 0.000 1.243 1092 L HN 0.423 nan 8.230 nan 0.000 0.449 1093 Q N 2.214 121.827 119.800 -0.311 0.000 2.766 1093 Q HA 0.287 4.374 4.340 -0.421 0.000 0.240 1093 Q C -2.065 173.658 176.000 -0.461 0.000 0.993 1093 Q CA -0.485 55.124 55.803 -0.323 0.000 1.006 1093 Q CB 1.812 30.332 28.738 -0.363 0.000 1.804 1093 Q HN 0.547 nan 8.270 nan 0.000 0.464 1094 Y N 2.400 122.544 120.300 -0.261 0.000 2.724 1094 Y HA 0.072 4.369 4.550 -0.421 0.000 0.332 1094 Y C 1.760 177.547 175.900 -0.188 0.000 1.276 1094 Y CA 0.610 58.554 58.100 -0.260 0.000 1.597 1094 Y CB 0.622 38.866 38.460 -0.360 0.000 1.584 1094 Y HN 0.810 nan 8.280 nan 0.000 0.478 1095 T N -2.109 112.379 114.554 -0.110 0.000 2.751 1095 T HA -0.341 3.756 4.350 -0.421 0.000 0.268 1095 T C 1.681 176.371 174.700 -0.018 0.000 1.045 1095 T CA 2.302 64.358 62.100 -0.072 0.000 1.142 1095 T CB -0.097 68.717 68.868 -0.090 0.000 0.851 1095 T HN 0.503 nan 8.240 nan 0.000 0.474 1096 N N 1.030 119.727 118.700 -0.005 0.000 2.422 1096 N HA 0.047 4.534 4.740 -0.421 0.000 0.181 1096 N C 0.382 175.891 175.510 -0.001 0.000 1.080 1096 N CA 0.432 53.485 53.050 0.005 0.000 0.893 1096 N CB 0.146 38.637 38.487 0.006 0.000 0.973 1096 N HN 0.608 nan 8.380 nan 0.000 0.456 1097 V N -0.062 119.845 119.914 -0.012 0.000 2.461 1097 V HA 0.429 4.297 4.120 -0.421 0.000 0.275 1097 V C 0.297 176.365 176.094 -0.043 0.000 1.047 1097 V CA -0.993 61.275 62.300 -0.054 0.000 0.955 1097 V CB 0.935 32.688 31.823 -0.116 0.000 0.988 1097 V HN -0.149 nan 8.190 nan 0.000 0.471 1098 V N 6.060 125.946 119.914 -0.046 0.000 2.740 1098 V HA 0.342 4.209 4.120 -0.421 0.000 0.303 1098 V C 0.604 176.668 176.094 -0.051 0.000 1.054 1098 V CA -0.277 62.011 62.300 -0.019 0.000 1.106 1098 V CB 0.509 32.320 31.823 -0.020 0.000 0.957 1098 V HN 0.967 nan 8.190 nan 0.000 0.486 1099 K N 2.466 122.858 120.400 -0.012 0.000 2.238 1099 K HA 0.481 4.548 4.320 -0.421 0.000 0.239 1099 K C -0.606 175.998 176.600 0.006 0.000 0.987 1099 K CA -0.799 55.444 56.287 -0.074 0.000 0.857 1099 K CB 1.614 33.965 32.500 -0.248 0.000 1.154 1099 K HN 0.886 nan 8.250 nan 0.000 0.439 1100 D N -1.065 119.342 120.400 0.012 0.000 2.388 1100 D HA 0.000 4.388 4.640 -0.421 0.000 0.254 1100 D C 1.127 177.490 176.300 0.105 0.000 1.111 1100 D CA -0.424 53.643 54.000 0.112 0.000 0.993 1100 D CB 0.192 41.142 40.800 0.252 0.000 1.118 1100 D HN 0.463 nan 8.370 nan 0.000 0.502 1101 Y N -0.207 120.025 120.300 -0.113 0.000 2.215 1101 Y HA -0.239 4.060 4.550 -0.418 0.000 0.282 1101 Y C 1.348 177.139 175.900 -0.180 0.000 1.207 1101 Y CA 1.655 59.583 58.100 -0.288 0.000 1.196 1101 Y CB -0.196 37.815 38.460 -0.749 0.000 0.969 1101 Y HN 0.534 nan 8.280 nan 0.000 0.528 1102 W N -1.700 119.755 121.300 0.259 0.000 3.197 1102 W HA 0.297 4.706 4.660 -0.419 0.000 0.274 1102 W C 1.801 178.393 176.519 0.121 0.000 1.297 1102 W CA 0.378 57.827 57.345 0.174 0.000 1.662 1102 W CB 0.238 29.773 29.460 0.125 0.000 1.106 1102 W HN 0.145 nan 8.180 nan 0.000 0.663 1103 G N -0.026 108.727 108.800 -0.078 0.000 2.179 1103 G HA2 -0.258 3.449 3.960 -0.421 0.000 0.220 1103 G HA3 -0.258 3.449 3.960 -0.421 0.000 0.220 1103 G C 0.182 174.921 174.900 -0.270 0.000 0.990 1103 G CA -0.512 44.164 45.100 -0.706 0.000 0.646 1103 G HN 0.121 nan 8.290 nan 0.000 0.517 1104 N N 1.469 120.176 118.700 0.011 0.000 2.445 1104 N HA 0.330 4.817 4.740 -0.421 0.000 0.264 1104 N C -0.283 175.198 175.510 -0.048 0.000 1.227 1104 N CA -0.311 52.745 53.050 0.009 0.000 0.963 1104 N CB 0.440 38.997 38.487 0.118 0.000 1.188 1104 N HN 0.193 nan 8.380 nan 0.000 0.491 1105 D N 0.911 121.281 120.400 -0.051 0.000 2.488 1105 D HA -0.008 4.379 4.640 -0.421 0.000 0.238 1105 D C 0.297 176.580 176.300 -0.029 0.000 1.138 1105 D CA -0.029 53.930 54.000 -0.069 0.000 0.873 1105 D CB 0.684 41.433 40.800 -0.086 0.000 1.183 1105 D HN 0.216 nan 8.370 nan 0.000 0.458 1106 L N 3.068 124.239 121.223 -0.087 0.000 2.397 1106 L HA 0.204 4.291 4.340 -0.421 0.000 0.271 1106 L C 0.155 176.931 176.870 -0.157 0.000 1.148 1106 L CA 0.311 55.061 54.840 -0.149 0.000 0.825 1106 L CB 0.313 42.195 42.059 -0.295 0.000 1.117 1106 L HN 0.230 nan 8.230 nan 0.000 0.456 1107 R N 3.446 123.909 120.500 -0.062 0.000 2.837 1107 R HA 0.373 4.460 4.340 -0.421 0.000 0.271 1107 R C -1.455 174.775 176.300 -0.116 0.000 0.993 1107 R CA -0.767 55.302 56.100 -0.053 0.000 0.931 1107 R CB 1.477 31.818 30.300 0.068 0.000 1.206 1107 R HN 0.494 nan 8.270 nan 0.000 0.474 1108 Y N 1.031 121.293 120.300 -0.062 0.000 2.352 1108 Y HA 0.161 4.458 4.550 -0.422 0.000 0.326 1108 Y C 0.805 176.656 175.900 -0.080 0.000 1.166 1108 Y CA -0.316 57.715 58.100 -0.114 0.000 1.182 1108 Y CB 0.849 39.214 38.460 -0.160 0.000 1.216 1108 Y HN 0.633 nan 8.280 nan 0.000 0.474 1109 N N 0.594 119.335 118.700 0.068 0.000 2.776 1109 N HA -0.231 4.256 4.740 -0.421 0.000 0.249 1109 N C -0.734 174.769 175.510 -0.013 0.000 1.111 1109 N CA 0.714 53.770 53.050 0.009 0.000 0.711 1109 N CB -0.910 37.580 38.487 0.004 0.000 1.065 1109 N HN 0.659 nan 8.380 nan 0.000 0.556 1110 K N 0.774 121.165 120.400 -0.014 0.000 2.371 1110 K HA 0.308 4.375 4.320 -0.421 0.000 0.251 1110 K C -0.677 175.807 176.600 -0.194 0.000 0.934 1110 K CA -0.453 55.755 56.287 -0.132 0.000 0.798 1110 K CB 1.729 34.121 32.500 -0.181 0.000 1.204 1110 K HN 0.004 nan 8.250 nan 0.000 0.427 1111 E N 2.616 122.649 120.200 -0.278 0.000 2.290 1111 E HA 0.122 4.219 4.350 -0.421 0.000 0.277 1111 E C -1.165 175.172 176.600 -0.439 0.000 1.035 1111 E CA 0.041 56.295 56.400 -0.244 0.000 0.873 1111 E CB 0.658 30.233 29.700 -0.209 0.000 1.029 1111 E HN 0.336 nan 8.360 nan 0.000 0.419 1112 Y N 0.914 121.158 120.300 -0.094 0.000 2.633 1112 Y HA 0.307 4.603 4.550 -0.424 0.000 0.339 1112 Y C -0.795 175.102 175.900 -0.006 0.000 1.045 1112 Y CA -0.805 57.279 58.100 -0.025 0.000 1.098 1112 Y CB 1.449 39.983 38.460 0.123 0.000 1.296 1112 Y HN 0.434 nan 8.280 nan 0.000 0.494 1113 Y N 2.175 122.640 120.300 0.275 0.000 2.464 1113 Y HA 0.338 4.633 4.550 -0.425 0.000 0.326 1113 Y C -0.114 175.819 175.900 0.055 0.000 0.969 1113 Y CA -0.812 57.359 58.100 0.120 0.000 1.270 1113 Y CB 1.262 39.711 38.460 -0.018 0.000 1.103 1113 Y HN 0.403 nan 8.280 nan 0.000 0.491 1114 M N 6.563 126.329 119.600 0.277 0.000 2.184 1114 M HA 0.413 4.640 4.480 -0.421 0.000 0.351 1114 M C -0.965 175.357 176.300 0.037 0.000 1.395 1114 M CA -0.262 55.047 55.300 0.014 0.000 1.117 1114 M CB 0.080 32.702 32.600 0.037 0.000 1.708 1114 M HN 0.470 nan 8.290 nan 0.000 0.468 1115 V N 3.007 122.851 119.914 -0.116 0.000 3.126 1115 V HA 0.644 4.511 4.120 -0.421 0.000 0.314 1115 V C -1.052 174.989 176.094 -0.089 0.000 1.138 1115 V CA -1.005 61.245 62.300 -0.083 0.000 1.034 1115 V CB 2.054 33.697 31.823 -0.300 0.000 1.075 1115 V HN 0.904 nan 8.190 nan 0.000 0.442 1116 N N 1.133 119.657 118.700 -0.293 0.000 2.443 1116 N HA 0.298 4.785 4.740 -0.421 0.000 0.269 1116 N C 0.625 175.873 175.510 -0.436 0.000 0.985 1116 N CA -0.478 52.202 53.050 -0.617 0.000 0.921 1116 N CB 1.635 39.562 38.487 -0.934 0.000 1.195 1116 N HN 0.737 nan 8.380 nan 0.000 0.492 1117 I N 2.998 123.303 120.570 -0.442 0.000 2.191 1117 I HA -0.336 3.581 4.170 -0.421 0.000 0.248 1117 I C 1.738 177.643 176.117 -0.353 0.000 1.061 1117 I CA 1.468 62.521 61.300 -0.411 0.000 1.329 1117 I CB -0.190 37.469 38.000 -0.567 0.000 1.024 1117 I HN 0.598 nan 8.210 nan 0.000 0.423 1118 D N -1.205 118.976 120.400 -0.365 0.000 2.218 1118 D HA -0.140 4.247 4.640 -0.421 0.000 0.204 1118 D C 0.163 176.097 176.300 -0.610 0.000 0.976 1118 D CA 1.195 54.943 54.000 -0.420 0.000 0.853 1118 D CB 0.013 40.605 40.800 -0.346 0.000 0.939 1118 D HN 0.386 nan 8.370 nan 0.000 0.481 1119 Y N -0.057 120.055 120.300 -0.313 0.000 2.628 1119 Y HA 0.296 4.602 4.550 -0.406 0.000 0.354 1119 Y C 0.882 176.652 175.900 -0.218 0.000 1.061 1119 Y CA -0.313 57.631 58.100 -0.259 0.000 1.251 1119 Y CB 0.554 38.818 38.460 -0.327 0.000 1.098 1119 Y HN -0.236 nan 8.280 nan 0.000 0.626 1120 L N 0.735 121.929 121.223 -0.048 0.000 2.509 1120 L HA -0.030 4.057 4.340 -0.421 0.000 0.222 1120 L C 0.995 177.920 176.870 0.092 0.000 1.123 1120 L CA 0.583 55.441 54.840 0.030 0.000 0.856 1120 L CB -0.079 42.019 42.059 0.065 0.000 0.985 1120 L HN 0.598 nan 8.230 nan 0.000 0.456 1121 N N -0.419 118.308 118.700 0.044 0.000 2.362 1121 N HA 0.014 4.502 4.740 -0.421 0.000 0.204 1121 N C 0.163 175.722 175.510 0.082 0.000 1.166 1121 N CA 0.040 53.120 53.050 0.049 0.000 0.831 1121 N CB 0.225 38.721 38.487 0.014 0.000 1.008 1121 N HN 0.040 nan 8.380 nan 0.000 0.472 1122 R N 0.414 120.970 120.500 0.094 0.000 2.795 1122 R HA 0.338 4.425 4.340 -0.421 0.000 0.275 1122 R C -1.228 175.167 176.300 0.158 0.000 0.981 1122 R CA -0.794 55.344 56.100 0.064 0.000 0.917 1122 R CB 1.101 31.397 30.300 -0.006 0.000 1.202 1122 R HN 0.331 nan 8.270 nan 0.000 0.469 1123 Y N -1.532 118.864 120.300 0.161 0.000 2.602 1123 Y HA 0.621 4.922 4.550 -0.416 0.000 0.342 1123 Y C -0.212 175.810 175.900 0.203 0.000 1.029 1123 Y CA -1.367 56.815 58.100 0.137 0.000 1.080 1123 Y CB 1.360 39.812 38.460 -0.013 0.000 1.284 1123 Y HN 0.356 nan 8.280 nan 0.000 0.485 1124 M N 3.149 122.941 119.600 0.321 0.000 2.185 1124 M HA 0.273 4.500 4.480 -0.421 0.000 0.357 1124 M C -1.475 174.889 176.300 0.107 0.000 1.260 1124 M CA -0.007 55.308 55.300 0.025 0.000 1.124 1124 M CB 0.682 33.307 32.600 0.041 0.000 1.600 1124 M HN 0.845 nan 8.290 nan 0.000 0.467 1125 Y N 1.506 121.593 120.300 -0.354 0.000 2.818 1125 Y HA 0.795 5.100 4.550 -0.409 0.000 0.322 1125 Y C -1.387 174.281 175.900 -0.387 0.000 1.323 1125 Y CA -1.344 56.454 58.100 -0.503 0.000 1.090 1125 Y CB 1.674 39.907 38.460 -0.377 0.000 1.328 1125 Y HN 0.630 nan 8.280 nan 0.000 0.482 1126 A N 1.676 124.074 122.820 -0.702 0.000 2.549 1126 A HA 0.556 4.623 4.320 -0.421 0.000 0.297 1126 A C -1.379 175.942 177.584 -0.437 0.000 1.061 1126 A CA -0.630 51.148 52.037 -0.431 0.000 0.690 1126 A CB 1.594 20.437 19.000 -0.262 0.000 1.287 1126 A HN 0.887 nan 8.150 nan 0.000 0.402 1127 N N -0.273 118.226 118.700 -0.336 0.000 2.625 1127 N HA 0.218 4.706 4.740 -0.421 0.000 0.276 1127 N C 0.026 175.419 175.510 -0.196 0.000 1.326 1127 N CA -0.387 52.505 53.050 -0.263 0.000 0.816 1127 N CB 0.737 39.033 38.487 -0.319 0.000 1.213 1127 N HN 0.494 nan 8.380 nan 0.000 0.393 1128 S N 1.521 117.131 115.700 -0.149 0.000 4.051 1128 S HA 0.120 4.338 4.470 -0.421 0.000 0.215 1128 S C 0.267 174.822 174.600 -0.075 0.000 1.289 1128 S CA 0.369 58.520 58.200 -0.081 0.000 0.907 1128 S CB -0.581 62.601 63.200 -0.030 0.000 1.603 1128 S HN 0.418 nan 8.310 nan 0.000 0.453 1129 R N -0.045 120.386 120.500 -0.115 0.000 3.994 1129 R HA -0.191 3.897 4.340 -0.421 0.000 0.403 1129 R C 0.014 176.255 176.300 -0.097 0.000 1.126 1129 R CA 0.973 57.017 56.100 -0.093 0.000 1.143 1129 R CB -0.924 29.390 30.300 0.023 0.000 1.695 1129 R HN 0.562 nan 8.270 nan 0.000 0.555 1130 Q N 1.279 120.977 119.800 -0.169 0.000 2.322 1130 Q HA 0.350 4.438 4.340 -0.421 0.000 0.265 1130 Q C -0.469 175.339 176.000 -0.320 0.000 0.985 1130 Q CA -0.641 55.023 55.803 -0.230 0.000 0.849 1130 Q CB 0.962 29.534 28.738 -0.275 0.000 1.274 1130 Q HN 0.137 nan 8.270 nan 0.000 0.449 1131 I N 5.582 125.961 120.570 -0.319 0.000 2.533 1131 I HA 0.189 4.106 4.170 -0.421 0.000 0.284 1131 I C 0.260 176.090 176.117 -0.477 0.000 1.109 1131 I CA -0.075 60.992 61.300 -0.389 0.000 1.412 1131 I CB -0.098 37.668 38.000 -0.390 0.000 1.396 1131 I HN 0.605 nan 8.210 nan 0.000 0.543 1132 V N 4.488 124.098 119.914 -0.507 0.000 3.046 1132 V HA 0.639 4.507 4.120 -0.421 0.000 0.316 1132 V C -0.947 174.827 176.094 -0.533 0.000 1.104 1132 V CA -0.931 61.102 62.300 -0.445 0.000 1.006 1132 V CB 2.290 33.894 31.823 -0.364 0.000 1.058 1132 V HN 0.391 nan 8.190 nan 0.000 0.440 1133 F N 2.261 122.096 119.950 -0.192 0.000 2.449 1133 F HA 0.607 4.904 4.527 -0.383 0.000 0.342 1133 F C 0.436 176.040 175.800 -0.327 0.000 1.127 1133 F CA -0.445 57.403 58.000 -0.254 0.000 0.975 1133 F CB 1.751 40.622 39.000 -0.216 0.000 1.146 1133 F HN 0.564 nan 8.300 nan 0.000 0.444 1134 N N 1.052 119.486 118.700 -0.443 0.000 2.459 1134 N HA 0.355 4.842 4.740 -0.421 0.000 0.288 1134 N C -0.612 174.623 175.510 -0.458 0.000 1.186 1134 N CA -0.590 52.150 53.050 -0.517 0.000 0.917 1134 N CB 1.459 39.502 38.487 -0.739 0.000 1.219 1134 N HN 0.349 nan 8.380 nan 0.000 0.525 1135 T N 1.269 115.726 114.554 -0.162 0.000 2.851 1135 T HA 0.187 4.284 4.350 -0.421 0.000 0.298 1135 T C 0.661 175.470 174.700 0.181 0.000 0.977 1135 T CA -0.417 61.685 62.100 0.003 0.000 1.126 1135 T CB 0.249 69.132 68.868 0.025 0.000 0.916 1135 T HN 0.367 nan 8.240 nan 0.000 0.529 1136 R N 3.122 123.780 120.500 0.264 0.000 2.490 1136 R HA 0.428 4.516 4.340 -0.421 0.000 0.278 1136 R C 0.806 177.174 176.300 0.113 0.000 1.069 1136 R CA -0.769 55.517 56.100 0.310 0.000 1.080 1136 R CB 1.186 31.633 30.300 0.245 0.000 1.030 1136 R HN 0.571 nan 8.270 nan 0.000 0.491 1137 R N 0.904 121.430 120.500 0.043 0.000 2.087 1137 R HA 0.055 4.142 4.340 -0.421 0.000 0.216 1137 R C 0.054 176.346 176.300 -0.012 0.000 1.114 1137 R CA 0.340 56.444 56.100 0.007 0.000 1.002 1137 R CB -0.074 30.218 30.300 -0.014 0.000 0.903 1137 R HN 0.619 nan 8.270 nan 0.000 0.445 1138 N N 2.975 121.657 118.700 -0.031 0.000 2.819 1138 N HA -0.040 4.447 4.740 -0.421 0.000 0.284 1138 N C 0.215 175.697 175.510 -0.047 0.000 1.196 1138 N CA 0.177 53.207 53.050 -0.034 0.000 1.114 1138 N CB 0.577 39.043 38.487 -0.035 0.000 1.437 1138 N HN 0.219 nan 8.380 nan 0.000 0.518 1139 N N 2.558 121.232 118.700 -0.043 0.000 2.104 1139 N HA -0.140 4.348 4.740 -0.421 0.000 0.190 1139 N C 0.164 175.604 175.510 -0.117 0.000 1.024 1139 N CA 1.277 54.286 53.050 -0.068 0.000 0.853 1139 N CB -0.014 38.446 38.487 -0.045 0.000 1.008 1139 N HN 0.407 nan 8.380 nan 0.000 0.424 1140 N N 0.110 118.763 118.700 -0.078 0.000 2.509 1140 N HA 0.061 4.548 4.740 -0.421 0.000 0.239 1140 N C -1.172 174.293 175.510 -0.075 0.000 1.215 1140 N CA -0.020 52.986 53.050 -0.073 0.000 0.882 1140 N CB 0.146 38.617 38.487 -0.026 0.000 1.189 1140 N HN 0.239 nan 8.380 nan 0.000 0.490 1141 D N -0.711 119.606 120.400 -0.139 0.000 2.720 1141 D HA 0.116 4.504 4.640 -0.421 0.000 0.239 1141 D C -1.363 174.874 176.300 -0.105 0.000 1.218 1141 D CA -0.551 53.404 54.000 -0.075 0.000 0.748 1141 D CB 0.794 41.598 40.800 0.007 0.000 1.387 1141 D HN -0.047 nan 8.370 nan 0.000 0.438 1142 F N 2.489 122.484 119.950 0.075 0.000 2.701 1142 F HA 0.210 4.484 4.527 -0.422 0.000 0.315 1142 F C 0.848 176.584 175.800 -0.106 0.000 1.277 1142 F CA -0.653 57.343 58.000 -0.007 0.000 1.180 1142 F CB 0.109 39.170 39.000 0.102 0.000 1.273 1142 F HN 0.186 nan 8.300 nan 0.000 0.532 1143 N N -0.488 118.228 118.700 0.026 0.000 2.835 1143 N HA 0.414 4.901 4.740 -0.421 0.000 0.293 1143 N C -0.008 175.288 175.510 -0.357 0.000 1.345 1143 N CA -0.539 52.481 53.050 -0.049 0.000 0.760 1143 N CB -0.154 38.368 38.487 0.058 0.000 1.130 1143 N HN 0.195 nan 8.380 nan 0.000 0.441 1144 E N -1.228 118.834 120.200 -0.230 0.000 3.611 1144 E HA -0.140 3.957 4.350 -0.421 0.000 0.238 1144 E C 0.512 176.908 176.600 -0.340 0.000 1.468 1144 E CA 0.990 57.135 56.400 -0.425 0.000 2.235 1144 E CB -1.605 27.639 29.700 -0.760 0.000 2.090 1144 E HN 0.941 nan 8.360 nan 0.000 0.483 1145 G N -0.589 107.889 108.800 -0.537 0.000 2.977 1145 G HA2 -0.295 3.412 3.960 -0.421 0.000 0.953 1145 G HA3 -0.295 3.412 3.960 -0.421 0.000 0.953 1145 G C -0.516 174.641 174.900 0.428 0.000 1.435 1145 G CA 0.568 45.724 45.100 0.093 0.000 1.010 1145 G HN 0.404 nan 8.290 nan 0.000 0.547 1146 Y N 0.428 120.958 120.300 0.383 0.000 2.301 1146 Y HA 0.364 4.653 4.550 -0.434 0.000 0.325 1146 Y C 1.317 177.407 175.900 0.317 0.000 1.203 1146 Y CA -0.697 57.577 58.100 0.289 0.000 1.255 1146 Y CB 1.144 39.695 38.460 0.152 0.000 1.232 1146 Y HN 0.409 nan 8.280 nan 0.000 0.501 1147 K N 2.221 122.841 120.400 0.367 0.000 2.177 1147 K HA 0.528 4.596 4.320 -0.421 0.000 0.238 1147 K C -1.058 175.647 176.600 0.175 0.000 1.015 1147 K CA -0.755 55.651 56.287 0.198 0.000 0.922 1147 K CB 1.248 33.727 32.500 -0.035 0.000 1.127 1147 K HN 0.359 nan 8.250 nan 0.000 0.469 1148 I N 1.385 122.058 120.570 0.173 0.000 2.865 1148 I HA 0.439 4.356 4.170 -0.421 0.000 0.302 1148 I C -0.965 175.253 176.117 0.169 0.000 1.140 1148 I CA -0.826 60.593 61.300 0.198 0.000 1.021 1148 I CB 2.057 40.224 38.000 0.278 0.000 1.233 1148 I HN 0.551 nan 8.210 nan 0.000 0.427 1149 I N 5.330 125.977 120.570 0.128 0.000 2.582 1149 I HA 0.416 4.333 4.170 -0.421 0.000 0.292 1149 I C -0.575 175.507 176.117 -0.059 0.000 1.066 1149 I CA -0.614 60.715 61.300 0.048 0.000 1.053 1149 I CB 2.465 40.467 38.000 0.003 0.000 1.241 1149 I HN 0.259 nan 8.210 nan 0.000 0.421 1150 I N 6.127 126.595 120.570 -0.171 0.000 2.315 1150 I HA 0.294 4.211 4.170 -0.421 0.000 0.291 1150 I C -0.272 175.698 176.117 -0.245 0.000 1.006 1150 I CA -0.717 60.324 61.300 -0.430 0.000 1.265 1150 I CB 0.451 38.067 38.000 -0.640 0.000 1.387 1150 I HN 0.277 nan 8.210 nan 0.000 0.475 1151 K N 6.807 126.891 120.400 -0.527 0.000 2.213 1151 K HA 0.410 4.477 4.320 -0.421 0.000 0.270 1151 K C -0.329 176.015 176.600 -0.427 0.000 1.002 1151 K CA -0.664 55.275 56.287 -0.580 0.000 0.868 1151 K CB 1.954 33.615 32.500 -1.398 0.000 1.093 1151 K HN 0.574 nan 8.250 nan 0.000 0.454 1152 R N 3.305 123.518 120.500 -0.478 0.000 2.441 1152 R HA 0.274 4.361 4.340 -0.421 0.000 0.284 1152 R C 0.452 176.585 176.300 -0.278 0.000 1.070 1152 R CA -0.029 55.731 56.100 -0.566 0.000 1.047 1152 R CB 0.464 29.992 30.300 -1.287 0.000 1.016 1152 R HN 0.677 nan 8.270 nan 0.000 0.477 1153 I N 1.769 122.221 120.570 -0.197 0.000 3.812 1153 I HA 0.174 4.091 4.170 -0.421 0.000 0.292 1153 I C 0.509 176.510 176.117 -0.194 0.000 1.206 1153 I CA -0.081 61.103 61.300 -0.194 0.000 1.370 1153 I CB 0.458 38.271 38.000 -0.311 0.000 1.328 1153 I HN 0.495 nan 8.210 nan 0.000 0.453 1154 R N 0.674 121.073 120.500 -0.168 0.000 2.515 1154 R HA 0.593 4.680 4.340 -0.421 0.000 0.291 1154 R C -0.968 175.282 176.300 -0.083 0.000 1.046 1154 R CA -0.243 55.791 56.100 -0.110 0.000 0.914 1154 R CB 1.823 32.069 30.300 -0.088 0.000 1.191 1154 R HN 0.194 nan 8.270 nan 0.000 0.435 1155 G N 1.715 110.466 108.800 -0.081 0.000 2.341 1155 G HA2 0.034 3.742 3.960 -0.421 0.000 0.299 1155 G HA3 0.034 3.742 3.960 -0.421 0.000 0.299 1155 G C -1.647 173.217 174.900 -0.061 0.000 1.274 1155 G CA -0.942 44.126 45.100 -0.053 0.000 0.853 1155 G HN 0.533 nan 8.290 nan 0.000 0.493 1156 N N 0.950 119.623 118.700 -0.045 0.000 2.399 1156 N HA 0.104 4.592 4.740 -0.421 0.000 0.259 1156 N C 1.822 177.291 175.510 -0.070 0.000 1.160 1156 N CA 0.639 53.659 53.050 -0.051 0.000 0.946 1156 N CB 0.857 39.316 38.487 -0.046 0.000 1.156 1156 N HN 0.642 nan 8.380 nan 0.000 0.489 1157 T N 1.274 115.784 114.554 -0.072 0.000 2.897 1157 T HA -0.162 3.935 4.350 -0.421 0.000 0.271 1157 T C 1.005 175.665 174.700 -0.067 0.000 1.084 1157 T CA 1.244 63.296 62.100 -0.081 0.000 1.123 1157 T CB -0.232 68.598 68.868 -0.064 0.000 0.865 1157 T HN 0.522 nan 8.240 nan 0.000 0.496 1158 N N 1.299 119.966 118.700 -0.055 0.000 2.494 1158 N HA 0.105 4.593 4.740 -0.421 0.000 0.182 1158 N C 0.317 175.798 175.510 -0.048 0.000 1.076 1158 N CA 0.561 53.582 53.050 -0.047 0.000 0.908 1158 N CB 0.036 38.497 38.487 -0.044 0.000 0.967 1158 N HN 0.477 nan 8.380 nan 0.000 0.449 1159 D N -1.404 118.966 120.400 -0.051 0.000 2.592 1159 D HA 0.337 4.724 4.640 -0.421 0.000 0.259 1159 D C 0.542 176.836 176.300 -0.010 0.000 1.144 1159 D CA -0.035 53.944 54.000 -0.035 0.000 1.080 1159 D CB 1.362 42.139 40.800 -0.038 0.000 1.225 1159 D HN 0.103 nan 8.370 nan 0.000 0.619 1160 T N -2.774 111.807 114.554 0.045 0.000 3.332 1160 T HA 0.326 4.424 4.350 -0.421 0.000 0.304 1160 T C 0.473 175.311 174.700 0.230 0.000 0.971 1160 T CA -0.450 61.735 62.100 0.142 0.000 0.954 1160 T CB 0.453 69.364 68.868 0.072 0.000 1.175 1160 T HN 0.079 nan 8.240 nan 0.000 0.519 1161 R N 0.927 121.505 120.500 0.130 0.000 2.428 1161 R HA 0.652 4.740 4.340 -0.421 0.000 0.294 1161 R C -0.812 175.518 176.300 0.051 0.000 1.000 1161 R CA -0.730 55.377 56.100 0.012 0.000 0.960 1161 R CB 1.802 32.060 30.300 -0.070 0.000 1.076 1161 R HN 0.089 nan 8.270 nan 0.000 0.475 1162 V N 4.246 124.033 119.914 -0.211 0.000 2.432 1162 V HA 0.273 4.140 4.120 -0.421 0.000 0.271 1162 V C 0.499 176.529 176.094 -0.107 0.000 1.046 1162 V CA -0.191 61.940 62.300 -0.281 0.000 0.945 1162 V CB 0.839 32.301 31.823 -0.601 0.000 0.992 1162 V HN 0.631 nan 8.190 nan 0.000 0.471 1163 R N 2.513 123.005 120.500 -0.014 0.000 2.787 1163 R HA 0.616 4.703 4.340 -0.421 0.000 0.271 1163 R C 0.479 176.788 176.300 0.014 0.000 0.993 1163 R CA -0.591 55.503 56.100 -0.010 0.000 0.993 1163 R CB 1.792 32.087 30.300 -0.007 0.000 1.155 1163 R HN 0.883 nan 8.270 nan 0.000 0.486 1164 G N -0.463 108.349 108.800 0.019 0.000 2.353 1164 G HA2 0.315 4.022 3.960 -0.421 0.000 0.239 1164 G HA3 0.315 4.022 3.960 -0.421 0.000 0.239 1164 G C 0.865 175.784 174.900 0.031 0.000 1.295 1164 G CA 0.626 45.750 45.100 0.039 0.000 0.884 1164 G HN 0.777 nan 8.290 nan 0.000 0.537 1165 G N 1.930 110.754 108.800 0.040 0.000 2.217 1165 G HA2 -0.260 3.447 3.960 -0.421 0.000 0.246 1165 G HA3 -0.260 3.447 3.960 -0.421 0.000 0.246 1165 G C 0.266 175.184 174.900 0.029 0.000 0.990 1165 G CA 0.355 45.467 45.100 0.021 0.000 0.627 1165 G HN 0.828 nan 8.290 nan 0.000 0.522 1166 D N 0.774 121.201 120.400 0.045 0.000 2.424 1166 D HA 0.476 4.863 4.640 -0.421 0.000 0.244 1166 D C 0.685 177.017 176.300 0.053 0.000 1.134 1166 D CA 0.115 54.146 54.000 0.052 0.000 0.881 1166 D CB 0.728 41.593 40.800 0.109 0.000 1.191 1166 D HN 0.222 nan 8.370 nan 0.000 0.445 1167 I N 2.981 123.554 120.570 0.006 0.000 2.488 1167 I HA 0.461 4.378 4.170 -0.421 0.000 0.299 1167 I C -0.080 176.025 176.117 -0.019 0.000 0.984 1167 I CA -0.494 60.798 61.300 -0.014 0.000 1.250 1167 I CB 0.875 38.807 38.000 -0.113 0.000 1.389 1167 I HN 0.237 nan 8.210 nan 0.000 0.488 1168 L N 3.954 125.190 121.223 0.021 0.000 3.041 1168 L HA 0.699 4.787 4.340 -0.421 0.000 0.278 1168 L C -1.272 175.650 176.870 0.086 0.000 1.051 1168 L CA -1.065 53.763 54.840 -0.022 0.000 0.957 1168 L CB 0.814 42.797 42.059 -0.126 0.000 1.538 1168 L HN 0.567 nan 8.230 nan 0.000 0.393 1169 Y N -1.717 118.460 120.300 -0.205 0.000 2.705 1169 Y HA 0.912 5.207 4.550 -0.425 0.000 0.332 1169 Y C -1.558 174.089 175.900 -0.422 0.000 1.157 1169 Y CA -1.933 56.139 58.100 -0.047 0.000 1.091 1169 Y CB 1.170 39.696 38.460 0.109 0.000 1.301 1169 Y HN 0.410 nan 8.280 nan 0.000 0.488 1170 F N 0.485 120.555 119.950 0.200 0.000 2.540 1170 F HA 0.498 4.776 4.527 -0.415 0.000 0.317 1170 F C -0.991 174.896 175.800 0.145 0.000 1.104 1170 F CA -0.984 57.034 58.000 0.029 0.000 0.913 1170 F CB 1.810 40.794 39.000 -0.026 0.000 1.170 1170 F HN 0.370 nan 8.300 nan 0.000 0.450 1171 D N 2.885 123.413 120.400 0.213 0.000 2.217 1171 D HA 0.438 4.826 4.640 -0.421 0.000 0.243 1171 D C -0.870 175.540 176.300 0.183 0.000 1.054 1171 D CA -0.163 53.964 54.000 0.211 0.000 0.838 1171 D CB 2.001 42.879 40.800 0.130 0.000 1.162 1171 D HN 0.524 nan 8.370 nan 0.000 0.472 1172 M N 1.829 121.550 119.600 0.202 0.000 2.093 1172 M HA 0.277 4.504 4.480 -0.421 0.000 0.297 1172 M C -1.089 175.319 176.300 0.179 0.000 0.938 1172 M CA -0.374 55.017 55.300 0.152 0.000 0.920 1172 M CB 1.209 33.880 32.600 0.117 0.000 1.517 1172 M HN 0.089 nan 8.290 nan 0.000 0.427 1173 T N 6.113 120.718 114.554 0.085 0.000 2.728 1173 T HA 0.408 4.506 4.350 -0.421 0.000 0.296 1173 T C 0.838 175.483 174.700 -0.092 0.000 0.940 1173 T CA -0.217 61.926 62.100 0.072 0.000 1.013 1173 T CB 0.583 69.460 68.868 0.016 0.000 0.912 1173 T HN 0.595 nan 8.240 nan 0.000 0.484 1174 I N 2.626 123.165 120.570 -0.051 0.000 5.440 1174 I HA 0.112 4.029 4.170 -0.421 0.000 0.231 1174 I C 2.445 178.457 176.117 -0.175 0.000 0.932 1174 I CA -0.184 60.870 61.300 -0.410 0.000 1.720 1174 I CB -0.296 37.393 38.000 -0.518 0.000 1.458 1174 I HN 0.524 nan 8.210 nan 0.000 0.463 1175 N N 1.430 120.111 118.700 -0.032 0.000 2.002 1175 N HA -0.254 4.233 4.740 -0.421 0.000 0.199 1175 N C 1.035 176.557 175.510 0.019 0.000 1.060 1175 N CA 2.490 55.552 53.050 0.020 0.000 0.867 1175 N CB -0.001 38.527 38.487 0.070 0.000 1.069 1175 N HN 0.365 nan 8.380 nan 0.000 0.430 1176 N N -2.244 116.479 118.700 0.039 0.000 1.899 1176 N HA 0.051 4.538 4.740 -0.421 0.000 0.223 1176 N C -1.204 174.305 175.510 -0.001 0.000 1.411 1176 N CA -0.149 52.909 53.050 0.013 0.000 0.737 1176 N CB 0.740 39.232 38.487 0.009 0.000 1.100 1176 N HN 0.254 nan 8.380 nan 0.000 0.527 1177 K N 1.177 121.588 120.400 0.019 0.000 2.118 1177 K HA 0.634 4.701 4.320 -0.421 0.000 0.267 1177 K C -0.218 176.274 176.600 -0.180 0.000 0.991 1177 K CA -0.389 55.814 56.287 -0.140 0.000 0.916 1177 K CB 1.885 34.224 32.500 -0.268 0.000 1.041 1177 K HN -0.044 nan 8.250 nan 0.000 0.455 1178 A N 2.918 125.554 122.820 -0.306 0.000 2.276 1178 A HA 0.542 4.609 4.320 -0.421 0.000 0.316 1178 A C -1.257 176.120 177.584 -0.344 0.000 1.229 1178 A CA -0.530 51.413 52.037 -0.157 0.000 0.851 1178 A CB 0.162 19.127 19.000 -0.059 0.000 1.165 1178 A HN 0.585 nan 8.150 nan 0.000 0.513 1179 Y N 0.634 120.955 120.300 0.036 0.000 2.621 1179 Y HA 0.443 4.760 4.550 -0.388 0.000 0.334 1179 Y C 0.475 176.450 175.900 0.125 0.000 1.074 1179 Y CA -1.101 57.038 58.100 0.064 0.000 1.149 1179 Y CB 1.669 40.160 38.460 0.053 0.000 1.302 1179 Y HN 0.737 nan 8.280 nan 0.000 0.501 1180 N N 0.557 119.443 118.700 0.310 0.000 2.399 1180 N HA 0.523 5.011 4.740 -0.421 0.000 0.295 1180 N C -1.350 174.389 175.510 0.380 0.000 1.048 1180 N CA -0.715 52.531 53.050 0.327 0.000 0.886 1180 N CB 1.295 39.917 38.487 0.226 0.000 1.185 1180 N HN 0.319 nan 8.380 nan 0.000 0.487 1181 L N 2.411 123.862 121.223 0.379 0.000 2.453 1181 L HA 0.496 4.584 4.340 -0.421 0.000 0.261 1181 L C -0.414 176.740 176.870 0.472 0.000 1.179 1181 L CA -0.199 54.818 54.840 0.295 0.000 0.813 1181 L CB -0.010 42.119 42.059 0.118 0.000 1.110 1181 L HN 0.607 nan 8.230 nan 0.000 0.466 1182 F N 0.315 120.390 119.950 0.207 0.000 2.719 1182 F HA 0.452 4.730 4.527 -0.415 0.000 0.309 1182 F C -1.045 174.862 175.800 0.179 0.000 1.138 1182 F CA -1.170 56.959 58.000 0.216 0.000 0.943 1182 F CB 1.524 40.596 39.000 0.120 0.000 1.304 1182 F HN 0.323 nan 8.300 nan 0.000 0.445 1183 M N 4.849 124.521 119.600 0.121 0.000 2.120 1183 M HA 0.291 4.518 4.480 -0.421 0.000 0.354 1183 M C -0.282 175.981 176.300 -0.061 0.000 1.287 1183 M CA -0.471 54.806 55.300 -0.039 0.000 1.103 1183 M CB 0.681 33.283 32.600 0.003 0.000 1.623 1183 M HN 0.659 nan 8.290 nan 0.000 0.471 1184 K N 2.910 123.171 120.400 -0.231 0.000 2.181 1184 K HA 0.002 4.069 4.320 -0.421 0.000 0.239 1184 K C 0.199 176.897 176.600 0.163 0.000 1.073 1184 K CA 0.080 56.365 56.287 -0.003 0.000 0.839 1184 K CB 0.244 32.717 32.500 -0.046 0.000 1.116 1184 K HN 0.795 nan 8.250 nan 0.000 0.518 1185 N N -0.302 118.520 118.700 0.203 0.000 2.166 1185 N HA -0.052 4.435 4.740 -0.421 0.000 0.222 1185 N C -0.814 174.811 175.510 0.191 0.000 1.282 1185 N CA -0.018 53.152 53.050 0.201 0.000 0.890 1185 N CB 0.786 39.350 38.487 0.129 0.000 1.114 1185 N HN 0.522 nan 8.380 nan 0.000 0.494 1186 E N 1.656 121.931 120.200 0.124 0.000 2.392 1186 E HA 0.040 4.137 4.350 -0.421 0.000 0.264 1186 E C -0.111 176.451 176.600 -0.064 0.000 1.024 1186 E CA -0.204 56.218 56.400 0.037 0.000 0.903 1186 E CB 0.421 30.140 29.700 0.031 0.000 0.963 1186 E HN 0.076 nan 8.360 nan 0.000 0.432 1187 T N 1.557 116.019 114.554 -0.153 0.000 2.919 1187 T HA 0.214 4.311 4.350 -0.421 0.000 0.302 1187 T C 0.589 174.949 174.700 -0.566 0.000 1.031 1187 T CA -0.858 61.038 62.100 -0.340 0.000 1.127 1187 T CB 0.557 69.224 68.868 -0.334 0.000 0.952 1187 T HN 0.381 nan 8.240 nan 0.000 0.540 1188 M N 1.924 121.163 119.600 -0.601 0.000 2.267 1188 M HA 0.397 4.625 4.480 -0.421 0.000 0.303 1188 M C -0.993 174.850 176.300 -0.762 0.000 1.164 1188 M CA -0.501 54.435 55.300 -0.607 0.000 1.060 1188 M CB 0.517 32.810 32.600 -0.511 0.000 1.455 1188 M HN 0.750 nan 8.290 nan 0.000 0.483 1189 Y N -0.438 119.815 120.300 -0.078 0.000 2.421 1189 Y HA 0.659 4.950 4.550 -0.432 0.000 0.339 1189 Y C -0.336 175.592 175.900 0.047 0.000 0.996 1189 Y CA -1.130 56.944 58.100 -0.044 0.000 1.046 1189 Y CB 1.915 40.309 38.460 -0.111 0.000 1.226 1189 Y HN 0.751 nan 8.280 nan 0.000 0.445 1190 A N 1.877 124.748 122.820 0.085 0.000 2.486 1190 A HA 0.537 4.604 4.320 -0.421 0.000 0.300 1190 A C -0.171 177.378 177.584 -0.059 0.000 1.048 1190 A CA -0.738 51.241 52.037 -0.096 0.000 0.696 1190 A CB 1.075 19.815 19.000 -0.433 0.000 1.278 1190 A HN 0.695 nan 8.150 nan 0.000 0.405 1191 D N 1.074 121.448 120.400 -0.043 0.000 2.116 1191 D HA -0.179 4.208 4.640 -0.421 0.000 0.193 1191 D C 1.319 177.616 176.300 -0.005 0.000 0.998 1191 D CA 2.607 56.596 54.000 -0.018 0.000 0.836 1191 D CB -0.042 40.747 40.800 -0.018 0.000 0.951 1191 D HN 0.757 nan 8.370 nan 0.000 0.449 1192 N N 0.529 119.241 118.700 0.020 0.000 2.129 1192 N HA -0.075 4.413 4.740 -0.421 0.000 0.224 1192 N C 1.086 176.652 175.510 0.094 0.000 1.039 1192 N CA 0.311 53.402 53.050 0.069 0.000 1.101 1192 N CB -1.063 37.482 38.487 0.096 0.000 1.401 1192 N HN 0.207 nan 8.380 nan 0.000 0.582 1193 H N 0.191 119.235 119.070 -0.043 0.000 2.237 1193 H HA 0.180 4.482 4.556 -0.423 0.000 0.378 1193 H C 0.145 175.471 175.328 -0.004 0.000 2.160 1193 H CA 0.065 56.101 56.048 -0.020 0.000 1.384 1193 H CB -0.736 29.017 29.762 -0.016 0.000 1.565 1193 H HN 0.545 nan 8.280 nan 0.000 0.504 1194 S N -1.769 113.887 115.700 -0.073 0.000 2.758 1194 S HA 0.239 4.457 4.470 -0.421 0.000 0.292 1194 S C 0.273 174.759 174.600 -0.189 0.000 1.131 1194 S CA -0.364 57.761 58.200 -0.125 0.000 0.997 1194 S CB 1.230 64.416 63.200 -0.023 0.000 1.111 1194 S HN 0.858 nan 8.310 nan 0.000 0.552 1195 T N 0.663 115.136 114.554 -0.135 0.000 3.400 1195 T HA 0.258 4.355 4.350 -0.421 0.000 0.364 1195 T C 0.724 175.358 174.700 -0.110 0.000 1.636 1195 T CA -0.500 61.511 62.100 -0.148 0.000 1.211 1195 T CB -0.817 67.912 68.868 -0.231 0.000 1.180 1195 T HN 0.590 nan 8.240 nan 0.000 0.730 1196 E N 2.645 122.825 120.200 -0.034 0.000 1.905 1196 E HA -0.129 3.968 4.350 -0.421 0.000 0.218 1196 E C -0.204 176.365 176.600 -0.052 0.000 0.928 1196 E CA 1.570 57.968 56.400 -0.003 0.000 0.928 1196 E CB 0.079 29.816 29.700 0.061 0.000 0.815 1196 E HN 0.680 nan 8.360 nan 0.000 0.590 1197 D N -0.076 120.303 120.400 -0.034 0.000 2.963 1197 D HA 0.224 4.611 4.640 -0.421 0.000 0.361 1197 D C -0.923 175.230 176.300 -0.245 0.000 1.317 1197 D CA -0.123 53.835 54.000 -0.071 0.000 0.832 1197 D CB 0.508 41.418 40.800 0.183 0.000 1.135 1197 D HN 0.009 nan 8.370 nan 0.000 0.476 1198 I N 1.756 122.063 120.570 -0.439 0.000 2.325 1198 I HA 0.228 4.145 4.170 -0.421 0.000 0.291 1198 I C -0.484 175.176 176.117 -0.762 0.000 1.019 1198 I CA -0.534 60.519 61.300 -0.412 0.000 1.302 1198 I CB -0.245 37.618 38.000 -0.228 0.000 1.401 1198 I HN 0.106 nan 8.210 nan 0.000 0.485 1199 Y N 4.000 124.242 120.300 -0.096 0.000 2.425 1199 Y HA 0.655 4.948 4.550 -0.428 0.000 0.344 1199 Y C 0.516 176.341 175.900 -0.125 0.000 0.969 1199 Y CA -0.987 57.047 58.100 -0.110 0.000 1.052 1199 Y CB 1.592 40.020 38.460 -0.054 0.000 1.215 1199 Y HN 0.637 nan 8.280 nan 0.000 0.451 1200 A N 3.390 126.197 122.820 -0.021 0.000 2.332 1200 A HA 0.693 4.760 4.320 -0.421 0.000 0.258 1200 A C -0.473 177.053 177.584 -0.098 0.000 1.087 1200 A CA -0.461 51.553 52.037 -0.039 0.000 0.802 1200 A CB 0.188 19.227 19.000 0.065 0.000 1.042 1200 A HN 0.756 nan 8.150 nan 0.000 0.489 1201 I N 1.121 121.609 120.570 -0.137 0.000 2.354 1201 I HA 0.555 4.472 4.170 -0.421 0.000 0.292 1201 I C 0.795 176.724 176.117 -0.314 0.000 0.989 1201 I CA -0.066 61.093 61.300 -0.236 0.000 1.188 1201 I CB 1.723 39.608 38.000 -0.191 0.000 1.342 1201 I HN 0.744 nan 8.210 nan 0.000 0.457 1202 G N 5.869 114.361 108.800 -0.513 0.000 3.105 1202 G HA2 0.780 4.487 3.960 -0.421 0.000 0.277 1202 G HA3 0.780 4.487 3.960 -0.421 0.000 0.277 1202 G C -1.303 173.541 174.900 -0.093 0.000 1.375 1202 G CA -0.768 44.126 45.100 -0.342 0.000 0.962 1202 G HN 0.376 nan 8.290 nan 0.000 0.541 1203 L N 0.730 122.033 121.223 0.132 0.000 2.296 1203 L HA 0.603 4.691 4.340 -0.421 0.000 0.286 1203 L C 0.695 177.853 176.870 0.481 0.000 1.023 1203 L CA -0.803 54.214 54.840 0.295 0.000 0.812 1203 L CB 1.724 43.801 42.059 0.031 0.000 1.223 1203 L HN 0.764 nan 8.230 nan 0.000 0.421 1204 R N 1.507 122.282 120.500 0.459 0.000 2.893 1204 R HA 0.649 4.736 4.340 -0.421 0.000 0.245 1204 R C -0.850 175.557 176.300 0.178 0.000 1.192 1204 R CA -0.953 55.223 56.100 0.127 0.000 1.077 1204 R CB 1.209 31.316 30.300 -0.321 0.000 1.253 1204 R HN 0.424 nan 8.270 nan 0.000 0.505 1205 E N 1.113 121.333 120.200 0.032 0.000 2.216 1205 E HA 0.093 4.190 4.350 -0.421 0.000 0.279 1205 E C -0.690 175.864 176.600 -0.077 0.000 0.997 1205 E CA -0.714 55.660 56.400 -0.043 0.000 0.817 1205 E CB 1.664 31.325 29.700 -0.066 0.000 1.096 1205 E HN 0.365 nan 8.360 nan 0.000 0.393 1206 Q N 1.286 121.025 119.800 -0.102 0.000 2.269 1206 Q HA -0.047 4.040 4.340 -0.421 0.000 0.300 1206 Q C 0.891 176.839 176.000 -0.088 0.000 1.070 1206 Q CA 0.657 56.413 55.803 -0.078 0.000 0.957 1206 Q CB 0.275 28.971 28.738 -0.069 0.000 1.131 1206 Q HN 0.663 nan 8.270 nan 0.000 0.377 1207 T N -1.161 113.338 114.554 -0.092 0.000 3.069 1207 T HA 0.092 4.189 4.350 -0.421 0.000 0.252 1207 T C 0.145 174.799 174.700 -0.077 0.000 1.053 1207 T CA -0.488 61.560 62.100 -0.087 0.000 0.964 1207 T CB 0.132 68.942 68.868 -0.096 0.000 1.005 1207 T HN 0.699 nan 8.240 nan 0.000 0.532 1208 K N 1.278 121.633 120.400 -0.076 0.000 3.257 1208 K HA -0.148 3.919 4.320 -0.421 0.000 0.270 1208 K C -1.169 175.394 176.600 -0.061 0.000 0.984 1208 K CA 0.695 56.947 56.287 -0.059 0.000 0.739 1208 K CB -1.480 30.992 32.500 -0.046 0.000 1.351 1208 K HN 0.466 nan 8.250 nan 0.000 0.463 1209 D N 0.481 120.833 120.400 -0.080 0.000 2.127 1209 D HA 0.080 4.467 4.640 -0.421 0.000 0.167 1209 D C -0.515 175.732 176.300 -0.088 0.000 1.210 1209 D CA -0.499 53.459 54.000 -0.071 0.000 0.976 1209 D CB 0.607 41.366 40.800 -0.069 0.000 1.975 1209 D HN -0.004 nan 8.370 nan 0.000 0.527 1210 I N 2.195 122.725 120.570 -0.066 0.000 2.948 1210 I HA -0.062 3.855 4.170 -0.421 0.000 0.284 1210 I C 1.103 177.204 176.117 -0.027 0.000 1.181 1210 I CA 0.526 61.779 61.300 -0.078 0.000 1.372 1210 I CB -0.932 37.132 38.000 0.107 0.000 1.443 1210 I HN 0.304 nan 8.210 nan 0.000 0.554 1211 N N 5.995 124.646 118.700 -0.083 0.000 2.458 1211 N HA -0.050 4.437 4.740 -0.421 0.000 0.270 1211 N C 1.124 176.617 175.510 -0.029 0.000 1.102 1211 N CA -0.207 52.809 53.050 -0.056 0.000 0.967 1211 N CB 1.105 39.539 38.487 -0.088 0.000 1.078 1211 N HN 0.527 nan 8.380 nan 0.000 0.471 1212 D N 2.962 123.358 120.400 -0.007 0.000 2.239 1212 D HA -0.252 4.135 4.640 -0.421 0.000 0.202 1212 D C 1.202 177.462 176.300 -0.067 0.000 0.993 1212 D CA 0.980 54.972 54.000 -0.013 0.000 0.874 1212 D CB 0.050 40.844 40.800 -0.010 0.000 0.922 1212 D HN 0.616 nan 8.370 nan 0.000 0.464 1213 N N 0.834 119.509 118.700 -0.042 0.000 2.430 1213 N HA -0.167 4.320 4.740 -0.421 0.000 0.186 1213 N C 1.883 177.422 175.510 0.049 0.000 1.032 1213 N CA 0.933 53.985 53.050 0.003 0.000 0.893 1213 N CB -0.100 38.397 38.487 0.016 0.000 0.957 1213 N HN 0.537 nan 8.380 nan 0.000 0.442 1214 I N -2.830 117.750 120.570 0.018 0.000 4.147 1214 I HA 0.375 4.292 4.170 -0.421 0.000 0.329 1214 I C -0.367 175.813 176.117 0.106 0.000 1.424 1214 I CA -0.425 60.974 61.300 0.165 0.000 1.127 1214 I CB 0.137 38.261 38.000 0.206 0.000 1.128 1214 I HN -0.201 nan 8.210 nan 0.000 0.417 1215 I N 2.226 122.684 120.570 -0.186 0.000 2.371 1215 I HA 0.381 4.299 4.170 -0.421 0.000 0.290 1215 I C -0.815 175.050 176.117 -0.420 0.000 1.028 1215 I CA -0.044 61.165 61.300 -0.151 0.000 1.345 1215 I CB 0.715 38.640 38.000 -0.125 0.000 1.407 1215 I HN -0.001 nan 8.210 nan 0.000 0.501 1216 F N 3.586 123.619 119.950 0.139 0.000 2.629 1216 F HA 0.486 4.757 4.527 -0.426 0.000 0.316 1216 F C -0.108 175.777 175.800 0.142 0.000 1.081 1216 F CA -0.760 57.344 58.000 0.173 0.000 0.954 1216 F CB 1.642 40.818 39.000 0.293 0.000 1.337 1216 F HN 0.315 nan 8.300 nan 0.000 0.474 1217 Q N 2.202 122.239 119.800 0.394 0.000 2.330 1217 Q HA 0.580 4.667 4.340 -0.421 0.000 0.269 1217 Q C -1.573 174.653 176.000 0.377 0.000 1.022 1217 Q CA -0.668 55.302 55.803 0.278 0.000 0.796 1217 Q CB 2.527 31.373 28.738 0.180 0.000 1.271 1217 Q HN 0.806 nan 8.270 nan 0.000 0.450 1218 I N 2.691 123.423 120.570 0.270 0.000 2.488 1218 I HA 0.321 4.238 4.170 -0.421 0.000 0.299 1218 I C -1.128 175.136 176.117 0.245 0.000 0.984 1218 I CA -0.372 61.094 61.300 0.276 0.000 1.250 1218 I CB 1.519 39.620 38.000 0.168 0.000 1.389 1218 I HN 0.667 nan 8.210 nan 0.000 0.488 1219 Q N 7.874 127.852 119.800 0.295 0.000 2.285 1219 Q HA 0.480 4.567 4.340 -0.421 0.000 0.269 1219 Q C -2.577 173.534 176.000 0.184 0.000 1.030 1219 Q CA -1.848 54.096 55.803 0.235 0.000 0.788 1219 Q CB 2.435 31.373 28.738 0.333 0.000 1.266 1219 Q HN 0.274 nan 8.270 nan 0.000 0.438 1220 P HA 0.080 nan 4.420 nan 0.000 0.266 1220 P C -0.817 176.536 177.300 0.089 0.000 1.195 1220 P CA -0.192 62.967 63.100 0.099 0.000 0.768 1220 P CB 0.629 32.370 31.700 0.068 0.000 0.838 1221 M N 3.326 122.969 119.600 0.073 0.000 2.197 1221 M HA 0.315 4.542 4.480 -0.421 0.000 0.226 1221 M C -1.920 174.383 176.300 0.006 0.000 0.970 1221 M CA -0.443 54.853 55.300 -0.006 0.000 1.036 1221 M CB 0.029 32.554 32.600 -0.126 0.000 2.437 1221 M HN 0.083 nan 8.290 nan 0.000 0.432 1222 N N 2.637 121.346 118.700 0.015 0.000 2.443 1222 N HA 0.471 4.958 4.740 -0.421 0.000 0.295 1222 N C -1.240 174.145 175.510 -0.209 0.000 1.076 1222 N CA -0.441 52.591 53.050 -0.029 0.000 0.919 1222 N CB 1.735 40.282 38.487 0.100 0.000 1.176 1222 N HN 0.723 nan 8.380 nan 0.000 0.487 1223 N N -0.055 118.327 118.700 -0.530 0.000 2.362 1223 N HA 0.202 4.689 4.740 -0.421 0.000 0.299 1223 N C 0.597 175.786 175.510 -0.535 0.000 1.170 1223 N CA -0.241 52.424 53.050 -0.640 0.000 0.825 1223 N CB 1.410 39.099 38.487 -1.330 0.000 1.299 1223 N HN 0.241 nan 8.380 nan 0.000 0.502 1224 T N 1.492 115.794 114.554 -0.419 0.000 2.684 1224 T HA -0.202 3.895 4.350 -0.421 0.000 0.267 1224 T C 0.551 174.848 174.700 -0.672 0.000 1.032 1224 T CA 1.895 63.659 62.100 -0.560 0.000 1.155 1224 T CB -0.381 68.073 68.868 -0.690 0.000 0.857 1224 T HN 0.636 nan 8.240 nan 0.000 0.457 1225 Y N 0.195 120.400 120.300 -0.159 0.000 2.660 1225 Y HA 0.405 4.702 4.550 -0.422 0.000 0.254 1225 Y C -0.012 175.879 175.900 -0.015 0.000 1.176 1225 Y CA -1.456 56.658 58.100 0.023 0.000 1.195 1225 Y CB 0.086 38.670 38.460 0.206 0.000 1.190 1225 Y HN 0.410 nan 8.280 nan 0.000 0.535 1226 Y N -4.287 115.917 120.300 -0.160 0.000 2.656 1226 Y HA 0.657 4.956 4.550 -0.418 0.000 0.334 1226 Y C -2.090 173.562 175.900 -0.413 0.000 1.179 1226 Y CA -2.564 55.351 58.100 -0.307 0.000 1.050 1226 Y CB 0.913 39.300 38.460 -0.121 0.000 1.308 1226 Y HN -0.143 nan 8.280 nan 0.000 0.456 1227 Y N 1.601 122.008 120.300 0.179 0.000 2.388 1227 Y HA 0.829 5.125 4.550 -0.422 0.000 0.328 1227 Y C 0.252 176.288 175.900 0.226 0.000 0.963 1227 Y CA -0.352 57.842 58.100 0.156 0.000 1.240 1227 Y CB 1.499 40.010 38.460 0.084 0.000 1.118 1227 Y HN 1.005 nan 8.280 nan 0.000 0.484 1228 A N 1.828 124.878 122.820 0.383 0.000 2.726 1228 A HA 0.964 5.031 4.320 -0.421 0.000 0.248 1228 A C -0.388 177.303 177.584 0.178 0.000 1.249 1228 A CA -0.095 52.097 52.037 0.258 0.000 0.846 1228 A CB 1.335 20.488 19.000 0.254 0.000 1.391 1228 A HN 0.690 nan 8.150 nan 0.000 0.497 1229 S N -1.913 113.866 115.700 0.132 0.000 2.661 1229 S HA 0.653 4.871 4.470 -0.421 0.000 0.268 1229 S C -1.523 173.170 174.600 0.154 0.000 1.162 1229 S CA -0.670 57.623 58.200 0.154 0.000 0.817 1229 S CB 1.213 64.564 63.200 0.251 0.000 1.141 1229 S HN 0.731 nan 8.310 nan 0.000 0.477 1230 Q N 0.470 120.388 119.800 0.196 0.000 2.321 1230 Q HA 0.589 4.677 4.340 -0.421 0.000 0.270 1230 Q C -1.250 174.799 176.000 0.081 0.000 1.032 1230 Q CA -0.730 55.146 55.803 0.122 0.000 0.784 1230 Q CB 1.794 30.615 28.738 0.138 0.000 1.264 1230 Q HN 0.668 nan 8.270 nan 0.000 0.448 1231 I N 2.859 123.377 120.570 -0.087 0.000 2.354 1231 I HA 0.442 4.359 4.170 -0.421 0.000 0.292 1231 I C -0.545 175.434 176.117 -0.230 0.000 0.989 1231 I CA -0.395 60.888 61.300 -0.029 0.000 1.188 1231 I CB 0.250 38.149 38.000 -0.168 0.000 1.342 1231 I HN 0.506 nan 8.210 nan 0.000 0.457 1232 F N 3.732 123.815 119.950 0.223 0.000 2.538 1232 F HA 0.476 4.753 4.527 -0.417 0.000 0.325 1232 F C 0.486 176.429 175.800 0.238 0.000 1.066 1232 F CA -1.076 57.010 58.000 0.144 0.000 0.946 1232 F CB 1.587 40.597 39.000 0.017 0.000 1.199 1232 F HN 0.297 nan 8.300 nan 0.000 0.473 1233 K N 1.756 122.302 120.400 0.243 0.000 2.262 1233 K HA 0.475 4.542 4.320 -0.421 0.000 0.282 1233 K C -0.595 175.985 176.600 -0.033 0.000 1.066 1233 K CA -0.094 56.169 56.287 -0.040 0.000 0.901 1233 K CB 0.582 33.018 32.500 -0.106 0.000 1.089 1233 K HN 0.721 nan 8.250 nan 0.000 0.476 1234 S N 2.627 118.278 115.700 -0.081 0.000 2.740 1234 S HA 0.553 4.770 4.470 -0.421 0.000 0.300 1234 S C -0.315 174.248 174.600 -0.061 0.000 1.147 1234 S CA -1.088 57.093 58.200 -0.032 0.000 0.871 1234 S CB 0.730 63.940 63.200 0.016 0.000 1.173 1234 S HN 0.690 nan 8.310 nan 0.000 0.510 1235 N N -0.190 118.502 118.700 -0.013 0.000 2.431 1235 N HA 0.218 4.705 4.740 -0.421 0.000 0.289 1235 N C 0.436 175.974 175.510 0.046 0.000 1.277 1235 N CA -0.659 52.404 53.050 0.021 0.000 0.972 1235 N CB -0.056 38.459 38.487 0.046 0.000 1.143 1235 N HN 0.523 nan 8.380 nan 0.000 0.578 1236 F N 1.142 121.075 119.950 -0.027 0.000 2.134 1236 F HA -0.123 4.151 4.527 -0.422 0.000 0.299 1236 F C 1.795 177.590 175.800 -0.007 0.000 1.097 1236 F CA 1.785 59.774 58.000 -0.019 0.000 1.264 1236 F CB -0.242 38.742 39.000 -0.027 0.000 1.001 1236 F HN 0.667 nan 8.300 nan 0.000 0.479 1237 N N -0.699 118.118 118.700 0.195 0.000 2.336 1237 N HA 0.154 4.641 4.740 -0.421 0.000 0.189 1237 N C 1.192 176.727 175.510 0.042 0.000 1.113 1237 N CA 0.736 53.856 53.050 0.116 0.000 0.858 1237 N CB -0.157 38.401 38.487 0.118 0.000 0.970 1237 N HN 0.195 nan 8.380 nan 0.000 0.471 1238 G N 1.093 109.909 108.800 0.027 0.000 2.283 1238 G HA2 -0.382 3.326 3.960 -0.421 0.000 0.280 1238 G HA3 -0.382 3.326 3.960 -0.421 0.000 0.280 1238 G C 0.436 175.345 174.900 0.016 0.000 1.029 1238 G CA 0.726 45.833 45.100 0.012 0.000 0.840 1238 G HN 0.797 nan 8.290 nan 0.000 0.505 1239 E N -0.732 119.484 120.200 0.026 0.000 2.463 1239 E HA 0.099 4.197 4.350 -0.421 0.000 0.193 1239 E C 0.610 177.226 176.600 0.027 0.000 1.041 1239 E CA -0.071 56.342 56.400 0.022 0.000 0.879 1239 E CB 0.286 30.001 29.700 0.025 0.000 0.997 1239 E HN 0.326 nan 8.360 nan 0.000 0.478 1240 N N 1.630 120.348 118.700 0.030 0.000 2.558 1240 N HA 0.144 4.631 4.740 -0.421 0.000 0.285 1240 N C -1.410 174.127 175.510 0.045 0.000 1.112 1240 N CA -0.540 52.535 53.050 0.041 0.000 0.857 1240 N CB 1.134 39.642 38.487 0.036 0.000 1.376 1240 N HN 0.008 nan 8.380 nan 0.000 0.526 1241 I N 3.224 123.836 120.570 0.069 0.000 2.330 1241 I HA 0.157 4.075 4.170 -0.421 0.000 0.289 1241 I C 1.701 177.909 176.117 0.152 0.000 1.001 1241 I CA -0.349 60.998 61.300 0.078 0.000 1.193 1241 I CB 1.007 39.034 38.000 0.045 0.000 1.345 1241 I HN 0.593 nan 8.210 nan 0.000 0.461 1242 S N 3.752 119.514 115.700 0.104 0.000 2.470 1242 S HA 0.361 4.579 4.470 -0.421 0.000 0.222 1242 S C 0.814 175.546 174.600 0.219 0.000 1.024 1242 S CA 0.313 58.614 58.200 0.168 0.000 0.931 1242 S CB 0.660 63.904 63.200 0.072 0.000 0.791 1242 S HN 0.770 nan 8.310 nan 0.000 0.513 1243 G N 0.162 108.919 108.800 -0.072 0.000 2.634 1243 G HA2 0.629 4.336 3.960 -0.421 0.000 0.309 1243 G HA3 0.629 4.336 3.960 -0.421 0.000 0.309 1243 G C -1.961 172.684 174.900 -0.426 0.000 1.299 1243 G CA -0.658 44.297 45.100 -0.242 0.000 0.798 1243 G HN 0.371 nan 8.290 nan 0.000 0.490 1244 I N -1.150 119.287 120.570 -0.223 0.000 2.934 1244 I HA 0.587 4.504 4.170 -0.421 0.000 0.306 1244 I C -0.596 175.502 176.117 -0.030 0.000 1.110 1244 I CA -0.872 60.281 61.300 -0.245 0.000 1.019 1244 I CB 2.061 39.916 38.000 -0.242 0.000 1.227 1244 I HN 0.602 nan 8.210 nan 0.000 0.434 1245 C N 4.031 123.314 119.300 -0.028 0.000 2.435 1245 C HA 0.639 4.847 4.460 -0.421 0.000 0.375 1245 C C 0.679 175.890 174.990 0.368 0.000 1.281 1245 C CA 0.080 59.191 59.018 0.156 0.000 1.963 1245 C CB 0.254 27.996 27.740 0.004 0.000 2.490 1245 C HN 0.789 nan 8.230 nan 0.000 0.557 1246 S N 1.652 117.567 115.700 0.358 0.000 3.605 1246 S HA 0.835 5.053 4.470 -0.421 0.000 0.301 1246 S C -1.252 173.564 174.600 0.360 0.000 1.083 1246 S CA -0.424 57.949 58.200 0.289 0.000 1.109 1246 S CB 0.918 64.224 63.200 0.176 0.000 1.364 1246 S HN 0.752 nan 8.310 nan 0.000 0.758 1247 I N -0.359 120.331 120.570 0.199 0.000 2.800 1247 I HA 0.610 4.527 4.170 -0.421 0.000 0.294 1247 I C -1.060 175.159 176.117 0.170 0.000 1.538 1247 I CA -0.023 61.385 61.300 0.180 0.000 1.010 1247 I CB 1.633 39.626 38.000 -0.012 0.000 1.381 1247 I HN 0.892 nan 8.210 nan 0.000 0.462 1248 G N 2.415 111.362 108.800 0.246 0.000 2.506 1248 G HA2 0.499 4.206 3.960 -0.421 0.000 0.292 1248 G HA3 0.499 4.206 3.960 -0.421 0.000 0.292 1248 G C -1.238 173.826 174.900 0.274 0.000 1.425 1248 G CA -0.029 45.223 45.100 0.253 0.000 0.788 1248 G HN 0.679 nan 8.290 nan 0.000 0.490 1249 T N -1.472 113.105 114.554 0.040 0.000 2.795 1249 T HA 0.772 4.870 4.350 -0.421 0.000 0.282 1249 T C -1.061 173.572 174.700 -0.111 0.000 0.980 1249 T CA -0.412 61.735 62.100 0.079 0.000 1.012 1249 T CB 1.028 69.900 68.868 0.007 0.000 0.936 1249 T HN 0.470 nan 8.240 nan 0.000 0.457 1250 Y N 0.489 120.962 120.300 0.288 0.000 2.609 1250 Y HA 0.611 4.906 4.550 -0.425 0.000 0.342 1250 Y C 0.327 176.432 175.900 0.342 0.000 1.058 1250 Y CA -1.572 56.690 58.100 0.270 0.000 1.055 1250 Y CB 1.476 40.085 38.460 0.249 0.000 1.292 1250 Y HN 0.432 nan 8.280 nan 0.000 0.476 1251 R N 1.541 122.210 120.500 0.282 0.000 2.267 1251 R HA 0.415 4.502 4.340 -0.421 0.000 0.319 1251 R C -1.648 174.718 176.300 0.110 0.000 1.067 1251 R CA -0.128 56.093 56.100 0.201 0.000 0.936 1251 R CB -0.419 29.934 30.300 0.087 0.000 1.006 1251 R HN 0.517 nan 8.270 nan 0.000 0.452 1252 F N 0.379 120.465 119.950 0.227 0.000 2.629 1252 F HA 0.466 4.848 4.527 -0.242 0.000 0.316 1252 F C 0.807 176.731 175.800 0.206 0.000 1.081 1252 F CA -0.892 57.271 58.000 0.271 0.000 0.954 1252 F CB 1.741 41.005 39.000 0.439 0.000 1.337 1252 F HN 0.149 nan 8.300 nan 0.000 0.474 1253 R N 2.400 123.100 120.500 0.334 0.000 2.587 1253 R HA 0.479 4.566 4.340 -0.421 0.000 0.283 1253 R C -0.520 175.890 176.300 0.184 0.000 1.472 1253 R CA -0.138 56.054 56.100 0.153 0.000 1.578 1253 R CB 0.159 30.450 30.300 -0.014 0.000 1.130 1253 R HN 0.633 nan 8.270 nan 0.000 0.602 1254 L N -0.257 121.111 121.223 0.241 0.000 2.767 1254 L HA 0.314 4.401 4.340 -0.421 0.000 0.157 1254 L C 1.283 178.196 176.870 0.072 0.000 1.227 1254 L CA -0.315 54.582 54.840 0.095 0.000 1.557 1254 L CB -0.050 41.946 42.059 -0.105 0.000 2.290 1254 L HN 0.459 nan 8.230 nan 0.000 0.495 1255 G N -0.800 108.017 108.800 0.027 0.000 2.327 1255 G HA2 0.335 4.042 3.960 -0.421 0.000 0.278 1255 G HA3 0.335 4.042 3.960 -0.421 0.000 0.278 1255 G C 0.839 175.789 174.900 0.084 0.000 1.145 1255 G CA 0.406 45.532 45.100 0.044 0.000 1.097 1255 G HN 0.972 nan 8.290 nan 0.000 0.430 1256 G N 2.639 111.493 108.800 0.090 0.000 2.284 1256 G HA2 -0.284 3.423 3.960 -0.421 0.000 0.247 1256 G HA3 -0.284 3.423 3.960 -0.421 0.000 0.247 1256 G C 0.348 175.330 174.900 0.138 0.000 1.012 1256 G CA 0.221 45.386 45.100 0.109 0.000 0.618 1256 G HN 0.707 nan 8.290 nan 0.000 0.521 1257 D N -0.096 120.390 120.400 0.142 0.000 2.487 1257 D HA 0.093 4.480 4.640 -0.421 0.000 0.243 1257 D C 0.884 177.226 176.300 0.071 0.000 1.154 1257 D CA 0.071 54.143 54.000 0.119 0.000 0.876 1257 D CB 0.535 41.400 40.800 0.109 0.000 1.161 1257 D HN 0.453 nan 8.370 nan 0.000 0.478 1258 W N 3.809 125.008 121.300 -0.167 0.000 2.762 1258 W HA -0.023 4.386 4.660 -0.420 0.000 0.265 1258 W C -0.664 175.615 176.519 -0.400 0.000 1.263 1258 W CA 0.071 57.227 57.345 -0.315 0.000 1.411 1258 W CB 0.421 29.594 29.460 -0.479 0.000 1.065 1258 W HN 0.257 nan 8.180 nan 0.000 0.609 1259 Y N 1.773 121.974 120.300 -0.165 0.000 2.420 1259 Y HA 0.436 4.732 4.550 -0.425 0.000 0.334 1259 Y C 0.606 176.233 175.900 -0.455 0.000 1.094 1259 Y CA -1.057 56.862 58.100 -0.302 0.000 1.126 1259 Y CB 0.589 38.958 38.460 -0.151 0.000 1.217 1259 Y HN -0.385 nan 8.280 nan 0.000 0.462 1260 R N 1.745 122.165 120.500 -0.132 0.000 2.590 1260 R HA 0.222 4.309 4.340 -0.421 0.000 0.274 1260 R C -1.002 175.257 176.300 -0.067 0.000 1.061 1260 R CA 0.184 56.228 56.100 -0.093 0.000 1.081 1260 R CB 0.145 30.408 30.300 -0.062 0.000 0.984 1260 R HN 0.783 nan 8.270 nan 0.000 0.448 1261 H N 0.345 119.440 119.070 0.040 0.000 2.851 1261 H HA 0.196 4.493 4.556 -0.431 0.000 0.372 1261 H C -0.729 174.397 175.328 -0.337 0.000 1.158 1261 H CA -1.011 54.936 56.048 -0.168 0.000 1.159 1261 H CB 2.002 31.616 29.762 -0.248 0.000 1.757 1261 H HN 0.564 nan 8.280 nan 0.000 0.546 1262 N N 1.540 120.118 118.700 -0.202 0.000 2.497 1262 N HA 0.107 4.594 4.740 -0.421 0.000 0.271 1262 N C -1.476 173.809 175.510 -0.375 0.000 1.142 1262 N CA 0.128 53.089 53.050 -0.149 0.000 0.965 1262 N CB 0.674 39.118 38.487 -0.072 0.000 1.077 1262 N HN 0.284 nan 8.380 nan 0.000 0.462 1263 Y N 1.336 121.755 120.300 0.197 0.000 2.421 1263 Y HA 0.303 4.712 4.550 -0.234 0.000 0.339 1263 Y C -0.491 175.452 175.900 0.071 0.000 0.996 1263 Y CA -0.918 57.210 58.100 0.047 0.000 1.046 1263 Y CB 1.132 39.498 38.460 -0.156 0.000 1.226 1263 Y HN 0.351 nan 8.280 nan 0.000 0.445 1264 L N 5.937 127.262 121.223 0.169 0.000 2.315 1264 L HA 0.663 4.750 4.340 -0.421 0.000 0.283 1264 L C -0.449 176.535 176.870 0.189 0.000 1.089 1264 L CA -0.235 54.668 54.840 0.104 0.000 0.833 1264 L CB -0.072 41.938 42.059 -0.081 0.000 1.170 1264 L HN 0.459 nan 8.230 nan 0.000 0.442 1265 V N 3.776 123.835 119.914 0.241 0.000 3.114 1265 V HA 0.770 4.638 4.120 -0.421 0.000 0.308 1265 V C -2.720 173.544 176.094 0.284 0.000 1.168 1265 V CA -1.923 60.491 62.300 0.191 0.000 1.015 1265 V CB 1.815 33.615 31.823 -0.038 0.000 1.050 1265 V HN 0.684 nan 8.190 nan 0.000 0.433 1266 P HA 0.356 nan 4.420 nan 0.000 0.271 1266 P C -0.329 177.038 177.300 0.111 0.000 1.218 1266 P CA 0.558 63.819 63.100 0.270 0.000 0.780 1266 P CB 1.026 32.753 31.700 0.045 0.000 0.901 1267 T N -1.318 113.323 114.554 0.145 0.000 2.812 1267 T HA 0.564 4.661 4.350 -0.421 0.000 0.294 1267 T C -0.861 173.912 174.700 0.122 0.000 1.159 1267 T CA -0.784 61.365 62.100 0.082 0.000 1.008 1267 T CB 1.125 70.022 68.868 0.049 0.000 1.289 1267 T HN 0.123 nan 8.240 nan 0.000 0.514 1268 V N 1.390 121.388 119.914 0.140 0.000 2.447 1268 V HA 0.534 4.401 4.120 -0.421 0.000 0.292 1268 V C -0.205 176.026 176.094 0.229 0.000 1.021 1268 V CA -0.937 61.474 62.300 0.185 0.000 0.850 1268 V CB 1.413 33.364 31.823 0.214 0.000 1.005 1268 V HN 1.068 nan 8.190 nan 0.000 0.426 1269 K N 4.549 125.069 120.400 0.200 0.000 2.249 1269 K HA 0.529 4.596 4.320 -0.421 0.000 0.280 1269 K C 0.053 176.825 176.600 0.287 0.000 1.033 1269 K CA -0.040 56.384 56.287 0.227 0.000 0.946 1269 K CB 1.073 33.705 32.500 0.220 0.000 1.005 1269 K HN 0.743 nan 8.250 nan 0.000 0.469 1270 Q N 2.043 122.040 119.800 0.329 0.000 3.321 1270 Q HA 0.470 4.557 4.340 -0.421 0.000 0.257 1270 Q C 0.345 176.541 176.000 0.326 0.000 1.041 1270 Q CA -0.614 55.404 55.803 0.359 0.000 0.789 1270 Q CB 0.852 29.794 28.738 0.340 0.000 2.366 1270 Q HN 0.873 nan 8.270 nan 0.000 0.416 1271 G N 1.676 110.633 108.800 0.263 0.000 2.574 1271 G HA2 -0.343 3.364 3.960 -0.421 0.000 0.286 1271 G HA3 -0.343 3.364 3.960 -0.421 0.000 0.286 1271 G C -0.178 174.803 174.900 0.134 0.000 1.212 1271 G CA 0.467 45.668 45.100 0.169 0.000 0.979 1271 G HN 0.592 nan 8.290 nan 0.000 0.557 1272 N N 1.046 119.775 118.700 0.049 0.000 2.767 1272 N HA 0.471 4.958 4.740 -0.421 0.000 0.238 1272 N C 0.849 176.323 175.510 -0.059 0.000 1.083 1272 N CA 0.062 53.055 53.050 -0.095 0.000 0.964 1272 N CB -0.135 38.309 38.487 -0.070 0.000 1.252 1272 N HN 0.693 nan 8.380 nan 0.000 0.512 1273 Y N 1.347 121.723 120.300 0.127 0.000 2.529 1273 Y HA 0.348 4.646 4.550 -0.420 0.000 0.290 1273 Y C 1.761 177.748 175.900 0.144 0.000 1.177 1273 Y CA -0.007 58.179 58.100 0.143 0.000 1.305 1273 Y CB -0.725 37.844 38.460 0.182 0.000 1.047 1273 Y HN 0.385 nan 8.280 nan 0.000 0.522 1274 A N 1.115 123.806 122.820 -0.215 0.000 1.978 1274 A HA -0.235 3.832 4.320 -0.421 0.000 0.220 1274 A C 2.412 180.037 177.584 0.068 0.000 1.170 1274 A CA 2.039 54.045 52.037 -0.051 0.000 0.636 1274 A CB -1.162 17.758 19.000 -0.135 0.000 0.810 1274 A HN 0.621 nan 8.150 nan 0.000 0.448 1275 S N -0.720 115.014 115.700 0.057 0.000 2.474 1275 S HA 0.036 4.253 4.470 -0.421 0.000 0.235 1275 S C 1.480 176.136 174.600 0.093 0.000 0.997 1275 S CA 1.260 59.500 58.200 0.066 0.000 0.949 1275 S CB -0.342 62.889 63.200 0.052 0.000 0.766 1275 S HN 0.460 nan 8.310 nan 0.000 0.517 1276 L N -0.032 121.278 121.223 0.144 0.000 2.590 1276 L HA 0.248 4.335 4.340 -0.421 0.000 0.227 1276 L C 1.440 178.407 176.870 0.160 0.000 1.099 1276 L CA -0.057 54.866 54.840 0.139 0.000 0.872 1276 L CB -0.123 42.033 42.059 0.161 0.000 1.088 1276 L HN 0.225 nan 8.230 nan 0.000 0.479 1277 L N 0.276 121.631 121.223 0.219 0.000 2.189 1277 L HA -0.215 3.873 4.340 -0.421 0.000 0.214 1277 L C 2.170 179.166 176.870 0.210 0.000 1.097 1277 L CA 1.631 56.624 54.840 0.255 0.000 0.764 1277 L CB -0.788 41.438 42.059 0.278 0.000 0.900 1277 L HN 0.292 nan 8.230 nan 0.000 0.436 1278 E N -1.544 118.740 120.200 0.140 0.000 2.479 1278 E HA 0.077 4.174 4.350 -0.421 0.000 0.193 1278 E C 0.716 177.333 176.600 0.028 0.000 1.049 1278 E CA 0.024 56.486 56.400 0.103 0.000 0.870 1278 E CB 0.124 29.866 29.700 0.071 0.000 0.944 1278 E HN 0.233 nan 8.360 nan 0.000 0.492 1279 S N 1.195 116.893 115.700 -0.004 0.000 2.438 1279 S HA 0.122 4.339 4.470 -0.421 0.000 0.293 1279 S C 1.332 175.706 174.600 -0.376 0.000 1.141 1279 S CA -0.277 57.846 58.200 -0.128 0.000 1.080 1279 S CB 0.943 64.099 63.200 -0.072 0.000 0.978 1279 S HN 0.204 nan 8.310 nan 0.000 0.479 1280 T N 1.757 115.990 114.554 -0.534 0.000 3.052 1280 T HA -0.120 3.977 4.350 -0.421 0.000 0.270 1280 T C 1.707 176.074 174.700 -0.556 0.000 1.147 1280 T CA 1.309 62.895 62.100 -0.857 0.000 1.089 1280 T CB -0.629 67.971 68.868 -0.446 0.000 0.875 1280 T HN 0.689 nan 8.240 nan 0.000 0.541 1281 S N 1.292 116.772 115.700 -0.366 0.000 2.561 1281 S HA -0.039 4.178 4.470 -0.421 0.000 0.225 1281 S C 1.903 176.273 174.600 -0.383 0.000 0.977 1281 S CA 0.698 58.712 58.200 -0.310 0.000 0.926 1281 S CB -0.823 62.288 63.200 -0.148 0.000 0.769 1281 S HN 0.768 nan 8.310 nan 0.000 0.533 1282 T N -2.065 112.327 114.554 -0.269 0.000 3.069 1282 T HA 0.259 4.356 4.350 -0.421 0.000 0.252 1282 T C -0.142 174.458 174.700 -0.167 0.000 1.053 1282 T CA -0.398 61.616 62.100 -0.144 0.000 0.964 1282 T CB -0.410 68.493 68.868 0.058 0.000 1.005 1282 T HN 0.367 nan 8.240 nan 0.000 0.532 1283 H N 0.948 119.726 119.070 -0.487 0.000 2.782 1283 H HA 0.448 4.751 4.556 -0.422 0.000 0.285 1283 H C -1.111 173.836 175.328 -0.634 0.000 1.093 1283 H CA -1.832 54.007 56.048 -0.350 0.000 1.410 1283 H CB -0.209 29.456 29.762 -0.162 0.000 1.439 1283 H HN 0.447 nan 8.280 nan 0.000 0.469 1284 W N 1.922 123.172 121.300 -0.084 0.000 2.520 1284 W HA 0.575 4.980 4.660 -0.425 0.000 0.323 1284 W C 0.607 176.905 176.519 -0.369 0.000 1.062 1284 W CA -0.914 56.259 57.345 -0.287 0.000 1.215 1284 W CB 1.674 30.902 29.460 -0.388 0.000 1.340 1284 W HN 0.673 nan 8.180 nan 0.000 0.516 1285 G N 1.357 110.005 108.800 -0.253 0.000 2.453 1285 G HA2 0.776 4.483 3.960 -0.421 0.000 0.323 1285 G HA3 0.776 4.483 3.960 -0.421 0.000 0.323 1285 G C -2.040 172.509 174.900 -0.585 0.000 1.198 1285 G CA -0.780 44.171 45.100 -0.250 0.000 0.959 1285 G HN 0.340 nan 8.290 nan 0.000 0.482 1286 F N 1.251 121.179 119.950 -0.037 0.000 2.513 1286 F HA 0.308 4.581 4.527 -0.424 0.000 0.358 1286 F C 0.097 175.912 175.800 0.025 0.000 1.118 1286 F CA -0.783 57.166 58.000 -0.085 0.000 1.037 1286 F CB 2.293 41.045 39.000 -0.414 0.000 1.276 1286 F HN 0.144 nan 8.300 nan 0.000 0.446 1287 V N 5.801 125.750 119.914 0.058 0.000 2.389 1287 V HA 0.200 4.067 4.120 -0.421 0.000 0.264 1287 V C -1.768 174.466 176.094 0.234 0.000 1.049 1287 V CA -1.733 60.537 62.300 -0.050 0.000 0.932 1287 V CB 0.250 31.819 31.823 -0.423 0.000 1.011 1287 V HN 0.412 nan 8.190 nan 0.000 0.475 1288 P HA 0.076 nan 4.420 nan 0.000 0.270 1288 P C -0.326 176.973 177.300 -0.002 0.000 1.223 1288 P CA 0.092 63.166 63.100 -0.045 0.000 0.785 1288 P CB 1.136 32.822 31.700 -0.022 0.000 0.923 1289 V N -0.360 119.438 119.914 -0.193 0.000 2.368 1289 V HA 0.317 4.184 4.120 -0.421 0.000 0.266 1289 V C 0.742 176.828 176.094 -0.014 0.000 1.045 1289 V CA -0.602 61.608 62.300 -0.149 0.000 0.899 1289 V CB -0.320 31.287 31.823 -0.361 0.000 1.006 1289 V HN 0.686 nan 8.190 nan 0.000 0.470 1290 S N 0.000 115.765 115.700 0.108 0.000 2.498 1290 S HA 0.000 4.217 4.470 -0.421 0.000 0.327 1290 S CA 0.000 58.267 58.200 0.111 0.000 1.107 1290 S CB 0.000 63.297 63.200 0.161 0.000 0.593 1290 S HN 0.000 nan 8.310 nan 0.000 0.517