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 3nyc_1_A DATA FIRST_RESID 995 DATA SEQUENCE HHHHHHPIEA DYLVIGAGIA GASTGYWLSA HGRVVVLERE AQPGYHSTGR DATA SEQUENCE SAAHYTVAYG TPQVRALTAA SRAFFDNPPA GFCEHPLLSP RPEMVVDFSD DATA SEQUENCE DPEELRRQYE SGKALVPQMR LLDAEQACSI VPVLRRDKVF GATYDPTGAD DATA SEQUENCE IDTDALHQGY LRGIRRNQGQ VLCNHEALEI RRVDGAWEVR CDAGSYRAAV DATA SEQUENCE LVNAAGAWCD AIAGLAGVRP LGLQPKRRSA FIFAPPPGID CHDWPMLVSL DATA SEQUENCE DESFYLKPDA GMLLGSPANA DPVEAHDVQP EQLDIATGMY LIEEATTLTI DATA SEQUENCE RRPEHTWAGL RSFVADGDLV AGYAANAEGF FWVAAQGGYG IQTSAAMGEA DATA SEQUENCE SAALIRHQPL PAHLREHGLD EAMLSPRRLS P 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 995 H HA 0.000 nan 4.556 nan 0.000 0.296 995 H C 0.000 175.154 175.328 -0.290 0.000 0.993 995 H CA 0.000 55.905 56.048 -0.239 0.000 1.023 995 H CB 0.000 29.552 29.762 -0.351 0.000 1.292 996 H N 1.390 120.486 119.070 0.044 0.000 2.479 996 H HA 0.203 4.744 4.556 -0.024 0.000 0.335 996 H C -0.458 174.874 175.328 0.005 0.000 1.142 996 H CA -0.638 55.383 56.048 -0.045 0.000 1.234 996 H CB 1.387 31.093 29.762 -0.093 0.000 1.503 996 H HN 0.345 nan 8.280 nan 0.000 0.510 997 H N 1.957 121.048 119.070 0.035 0.000 2.972 997 H HA 0.069 4.610 4.556 -0.025 0.000 0.343 997 H C -0.356 174.935 175.328 -0.061 0.000 1.054 997 H CA 0.313 56.304 56.048 -0.096 0.000 1.412 997 H CB 0.147 29.867 29.762 -0.071 0.000 1.385 997 H HN 0.757 nan 8.280 nan 0.000 0.600 998 H N 1.749 120.318 119.070 -0.835 0.000 2.821 998 H HA 0.283 4.824 4.556 -0.025 0.000 0.373 998 H C -0.329 174.475 175.328 -0.875 0.000 1.165 998 H CA -0.883 54.747 56.048 -0.696 0.000 1.154 998 H CB 0.357 29.887 29.762 -0.386 0.000 1.765 998 H HN 0.819 nan 8.280 nan 0.000 0.549 999 H N 0.262 119.188 119.070 -0.241 0.000 2.757 999 H HA 0.085 4.626 4.556 -0.025 0.000 0.370 999 H C -0.466 174.830 175.328 -0.053 0.000 1.172 999 H CA -0.530 55.432 56.048 -0.144 0.000 1.426 999 H CB 0.454 30.209 29.762 -0.011 0.000 1.438 999 H HN 0.619 nan 8.280 nan 0.000 0.612 1000 H N 1.430 120.636 119.070 0.227 0.000 2.948 1000 H HA 0.023 4.564 4.556 -0.025 0.000 0.351 1000 H C -1.844 173.596 175.328 0.188 0.000 1.079 1000 H CA -1.423 54.720 56.048 0.158 0.000 1.407 1000 H CB 0.113 29.926 29.762 0.084 0.000 1.373 1000 H HN 0.560 nan 8.280 nan 0.000 0.605 1001 P HA 0.035 nan 4.420 nan 0.000 0.269 1001 P C 0.050 177.362 177.300 0.020 0.000 1.209 1001 P CA -0.003 63.133 63.100 0.061 0.000 0.776 1001 P CB 0.824 32.535 31.700 0.018 0.000 0.876 1002 I N 2.424 122.936 120.570 -0.097 0.000 2.336 1002 I HA 0.251 4.406 4.170 -0.025 0.000 0.292 1002 I C 0.852 176.989 176.117 0.032 0.000 0.991 1002 I CA -0.514 60.749 61.300 -0.060 0.000 1.227 1002 I CB 0.786 38.705 38.000 -0.136 0.000 1.366 1002 I HN 0.239 nan 8.210 nan 0.000 0.466 1003 E N 4.723 124.946 120.200 0.037 0.000 2.216 1003 E HA 0.741 5.076 4.350 -0.025 0.000 0.279 1003 E C -0.536 176.090 176.600 0.044 0.000 0.997 1003 E CA -0.378 56.047 56.400 0.043 0.000 0.817 1003 E CB 2.675 32.384 29.700 0.015 0.000 1.096 1003 E HN 0.735 nan 8.360 nan 0.000 0.393 1004 A N 2.295 125.137 122.820 0.037 0.000 2.533 1004 A HA 0.422 4.727 4.320 -0.025 0.000 0.293 1004 A C -0.063 177.461 177.584 -0.100 0.000 1.228 1004 A CA -0.539 51.493 52.037 -0.009 0.000 0.689 1004 A CB 1.073 20.098 19.000 0.042 0.000 1.303 1004 A HN 0.496 nan 8.150 nan 0.000 0.444 1005 D N -1.323 118.910 120.400 -0.278 0.000 2.324 1005 D HA 0.170 4.795 4.640 -0.025 0.000 0.212 1005 D C -0.877 175.042 176.300 -0.634 0.000 0.984 1005 D CA 1.670 55.323 54.000 -0.579 0.000 0.885 1005 D CB 0.277 40.458 40.800 -1.031 0.000 0.996 1005 D HN 0.468 nan 8.370 nan 0.000 0.505 1006 Y N 0.225 120.556 120.300 0.052 0.000 2.396 1006 Y HA 0.436 4.970 4.550 -0.025 0.000 0.332 1006 Y C -0.502 175.407 175.900 0.014 0.000 1.034 1006 Y CA -0.858 57.258 58.100 0.027 0.000 1.057 1006 Y CB 1.252 39.702 38.460 -0.018 0.000 1.220 1006 Y HN -0.333 nan 8.280 nan 0.000 0.440 1007 L N 4.384 125.690 121.223 0.139 0.000 2.272 1007 L HA 0.646 4.971 4.340 -0.025 0.000 0.289 1007 L C -0.665 176.203 176.870 -0.003 0.000 1.032 1007 L CA -1.102 53.774 54.840 0.059 0.000 0.810 1007 L CB 1.284 43.380 42.059 0.062 0.000 1.205 1007 L HN 0.445 nan 8.230 nan 0.000 0.422 1008 V N 4.900 124.800 119.914 -0.024 0.000 2.370 1008 V HA 0.342 4.447 4.120 -0.025 0.000 0.283 1008 V C 0.213 176.265 176.094 -0.069 0.000 1.023 1008 V CA -0.516 61.751 62.300 -0.055 0.000 0.857 1008 V CB 1.847 33.651 31.823 -0.032 0.000 0.985 1008 V HN 0.421 nan 8.190 nan 0.000 0.443 1009 I N 4.586 125.102 120.570 -0.091 0.000 2.297 1009 I HA 0.688 4.843 4.170 -0.025 0.000 0.291 1009 I C 0.760 176.856 176.117 -0.035 0.000 1.033 1009 I CA 0.156 61.412 61.300 -0.073 0.000 1.253 1009 I CB 0.241 38.184 38.000 -0.095 0.000 1.396 1009 I HN 0.885 nan 8.210 nan 0.000 0.476 1010 G N 4.717 113.507 108.800 -0.016 0.000 3.067 1010 G HA2 0.167 4.112 3.960 -0.025 0.000 0.686 1010 G HA3 0.167 4.112 3.960 -0.025 0.000 0.686 1010 G C -0.195 174.734 174.900 0.049 0.000 1.119 1010 G CA -0.338 44.776 45.100 0.024 0.000 0.790 1010 G HN 0.929 nan 8.290 nan 0.000 0.605 1011 A N 1.565 124.438 122.820 0.088 0.000 2.574 1011 A HA 0.766 5.071 4.320 -0.025 0.000 0.283 1011 A C 1.560 179.315 177.584 0.286 0.000 1.270 1011 A CA 1.254 53.375 52.037 0.141 0.000 0.945 1011 A CB -0.142 18.916 19.000 0.097 0.000 1.127 1011 A HN 2.198 nan 8.150 nan 0.000 0.522 1012 G N -0.382 108.537 108.800 0.198 0.000 2.529 1012 G HA2 0.293 4.238 3.960 -0.025 0.000 0.277 1012 G HA3 0.293 4.238 3.960 -0.025 0.000 0.277 1012 G C 0.964 175.876 174.900 0.019 0.000 1.383 1012 G CA 0.026 45.188 45.100 0.104 0.000 1.050 1012 G HN 0.186 nan 8.290 nan 0.000 0.526 1013 I N 0.419 120.896 120.570 -0.157 0.000 2.361 1013 I HA -0.100 4.055 4.170 -0.025 0.000 0.251 1013 I C 2.891 179.029 176.117 0.035 0.000 1.133 1013 I CA 1.830 63.111 61.300 -0.031 0.000 1.413 1013 I CB -0.276 37.721 38.000 -0.003 0.000 1.073 1013 I HN 0.437 nan 8.210 nan 0.000 0.424 1014 A N -0.096 122.740 122.820 0.027 0.000 1.855 1014 A HA -0.058 4.247 4.320 -0.025 0.000 0.215 1014 A C 2.434 180.023 177.584 0.009 0.000 1.191 1014 A CA 1.632 53.681 52.037 0.019 0.000 0.613 1014 A CB -1.635 17.386 19.000 0.035 0.000 0.829 1014 A HN 0.447 nan 8.150 nan 0.000 0.442 1015 G N -0.805 108.016 108.800 0.036 0.000 2.408 1015 G HA2 0.086 4.031 3.960 -0.025 0.000 0.217 1015 G HA3 0.086 4.031 3.960 -0.025 0.000 0.217 1015 G C 1.698 176.622 174.900 0.039 0.000 1.150 1015 G CA 1.353 46.469 45.100 0.027 0.000 0.776 1015 G HN 0.769 nan 8.290 nan 0.000 0.542 1016 A N 1.415 124.293 122.820 0.096 0.000 1.873 1016 A HA -0.022 4.283 4.320 -0.025 0.000 0.215 1016 A C 2.768 180.326 177.584 -0.044 0.000 1.186 1016 A CA 2.566 54.684 52.037 0.135 0.000 0.616 1016 A CB -0.761 18.462 19.000 0.371 0.000 0.823 1016 A HN 0.672 nan 8.150 nan 0.000 0.442 1017 S N -0.968 114.554 115.700 -0.297 0.000 2.355 1017 S HA -0.140 4.315 4.470 -0.025 0.000 0.222 1017 S C 1.895 176.468 174.600 -0.046 0.000 1.031 1017 S CA 1.878 59.696 58.200 -0.637 0.000 0.993 1017 S CB -1.229 61.572 63.200 -0.665 0.000 0.859 1017 S HN 0.457 nan 8.310 nan 0.000 0.453 1018 T N 1.986 116.519 114.554 -0.035 0.000 2.708 1018 T HA 0.046 4.381 4.350 -0.025 0.000 0.266 1018 T C 2.036 176.733 174.700 -0.004 0.000 1.037 1018 T CA 1.463 63.551 62.100 -0.020 0.000 1.146 1018 T CB -1.172 67.641 68.868 -0.092 0.000 0.865 1018 T HN 0.638 nan 8.240 nan 0.000 0.435 1019 G N -0.041 108.759 108.800 -0.001 0.000 2.422 1019 G HA2 -0.247 3.698 3.960 -0.025 0.000 0.218 1019 G HA3 -0.247 3.698 3.960 -0.025 0.000 0.218 1019 G C 1.351 176.282 174.900 0.052 0.000 1.146 1019 G CA 0.795 45.901 45.100 0.010 0.000 0.769 1019 G HN 0.532 nan 8.290 nan 0.000 0.547 1020 Y N 0.168 120.442 120.300 -0.045 0.000 2.053 1020 Y HA -0.178 4.359 4.550 -0.022 0.000 0.277 1020 Y C 2.552 178.368 175.900 -0.140 0.000 1.159 1020 Y CA 1.831 59.874 58.100 -0.095 0.000 1.125 1020 Y CB -0.268 38.113 38.460 -0.132 0.000 0.969 1020 Y HN 0.256 nan 8.280 nan 0.000 0.492 1021 W N 0.032 121.267 121.300 -0.108 0.000 2.467 1021 W HA -0.115 4.531 4.660 -0.024 0.000 0.275 1021 W C 2.058 178.512 176.519 -0.110 0.000 1.239 1021 W CA 1.033 58.275 57.345 -0.171 0.000 1.266 1021 W CB -0.429 28.968 29.460 -0.104 0.000 1.112 1021 W HN 0.256 nan 8.180 nan 0.000 0.576 1022 L N 0.580 121.807 121.223 0.007 0.000 2.156 1022 L HA -0.195 4.130 4.340 -0.025 0.000 0.208 1022 L C 2.641 179.528 176.870 0.029 0.000 1.095 1022 L CA 1.600 56.371 54.840 -0.115 0.000 0.770 1022 L CB -0.824 40.957 42.059 -0.463 0.000 0.914 1022 L HN -0.114 nan 8.230 nan 0.000 0.439 1023 S N -0.066 115.613 115.700 -0.035 0.000 2.447 1023 S HA -0.096 4.359 4.470 -0.025 0.000 0.233 1023 S C 1.983 176.540 174.600 -0.073 0.000 1.006 1023 S CA 0.715 58.909 58.200 -0.010 0.000 0.957 1023 S CB -0.269 62.905 63.200 -0.043 0.000 0.773 1023 S HN 0.333 nan 8.310 nan 0.000 0.507 1024 A N 0.960 123.641 122.820 -0.233 0.000 2.167 1024 A HA 0.047 4.352 4.320 -0.025 0.000 0.214 1024 A C 1.785 179.121 177.584 -0.414 0.000 1.151 1024 A CA 0.796 52.602 52.037 -0.384 0.000 0.735 1024 A CB -0.553 18.090 19.000 -0.593 0.000 0.802 1024 A HN 0.725 nan 8.150 nan 0.000 0.467 1025 H N -1.557 117.550 119.070 0.062 0.000 2.750 1025 H HA 0.329 4.870 4.556 -0.025 0.000 0.263 1025 H C 0.968 176.400 175.328 0.174 0.000 0.964 1025 H CA 0.880 56.994 56.048 0.109 0.000 1.205 1025 H CB 0.811 30.641 29.762 0.113 0.000 1.454 1025 H HN 0.508 nan 8.280 nan 0.000 0.503 1026 G N 0.391 109.374 108.800 0.305 0.000 2.488 1026 G HA2 0.330 4.275 3.960 -0.025 0.000 0.301 1026 G HA3 0.330 4.275 3.960 -0.025 0.000 0.301 1026 G C -1.282 173.712 174.900 0.156 0.000 1.339 1026 G CA -1.119 44.094 45.100 0.189 0.000 0.803 1026 G HN -0.014 nan 8.290 nan 0.000 0.482 1027 R N -0.010 120.481 120.500 -0.015 0.000 2.248 1027 R HA 0.457 4.782 4.340 -0.025 0.000 0.337 1027 R C -0.399 175.938 176.300 0.063 0.000 1.085 1027 R CA -0.250 55.855 56.100 0.008 0.000 0.934 1027 R CB 1.177 31.455 30.300 -0.036 0.000 1.034 1027 R HN 0.203 nan 8.270 nan 0.000 0.465 1028 V N 4.567 124.573 119.914 0.155 0.000 2.439 1028 V HA 0.288 4.393 4.120 -0.025 0.000 0.282 1028 V C -0.016 176.129 176.094 0.086 0.000 1.039 1028 V CA -0.588 61.827 62.300 0.192 0.000 0.913 1028 V CB 1.890 33.811 31.823 0.163 0.000 0.983 1028 V HN 0.410 nan 8.190 nan 0.000 0.460 1029 V N 5.626 125.579 119.914 0.064 0.000 2.483 1029 V HA 0.411 4.516 4.120 -0.025 0.000 0.297 1029 V C -0.320 175.740 176.094 -0.057 0.000 1.027 1029 V CA -0.607 61.684 62.300 -0.014 0.000 0.855 1029 V CB 2.036 33.849 31.823 -0.017 0.000 0.995 1029 V HN 0.595 nan 8.190 nan 0.000 0.424 1030 V N 6.600 126.466 119.914 -0.080 0.000 2.407 1030 V HA 0.466 4.571 4.120 -0.025 0.000 0.278 1030 V C -0.142 175.862 176.094 -0.150 0.000 1.037 1030 V CA -0.436 61.816 62.300 -0.081 0.000 0.900 1030 V CB 1.479 33.281 31.823 -0.034 0.000 0.983 1030 V HN 0.632 nan 8.190 nan 0.000 0.459 1031 L N 4.583 125.720 121.223 -0.143 0.000 2.294 1031 L HA 0.629 4.954 4.340 -0.025 0.000 0.283 1031 L C -0.290 176.545 176.870 -0.058 0.000 1.015 1031 L CA -0.353 54.399 54.840 -0.147 0.000 0.831 1031 L CB 1.576 43.533 42.059 -0.170 0.000 1.217 1031 L HN 0.648 nan 8.230 nan 0.000 0.420 1032 E N 2.849 123.036 120.200 -0.023 0.000 2.199 1032 E HA 0.268 4.603 4.350 -0.025 0.000 0.265 1032 E C 0.554 177.161 176.600 0.011 0.000 0.882 1032 E CA -0.601 55.799 56.400 -0.001 0.000 0.759 1032 E CB 1.626 31.335 29.700 0.015 0.000 1.148 1032 E HN 0.432 nan 8.360 nan 0.000 0.412 1033 R N 3.071 123.553 120.500 -0.030 0.000 2.073 1033 R HA -0.040 4.285 4.340 -0.025 0.000 0.234 1033 R C 0.110 176.388 176.300 -0.036 0.000 1.134 1033 R CA 1.042 57.111 56.100 -0.051 0.000 0.952 1033 R CB 0.113 30.329 30.300 -0.140 0.000 0.850 1033 R HN 0.538 nan 8.270 nan 0.000 0.433 1034 E N -0.455 119.731 120.200 -0.023 0.000 2.376 1034 E HA 0.073 4.408 4.350 -0.025 0.000 0.254 1034 E C 0.660 177.232 176.600 -0.047 0.000 1.213 1034 E CA 0.457 56.823 56.400 -0.056 0.000 0.945 1034 E CB 0.673 30.344 29.700 -0.048 0.000 1.057 1034 E HN 0.357 nan 8.360 nan 0.000 0.479 1035 A N 0.709 123.474 122.820 -0.092 0.000 2.119 1035 A HA -0.090 4.215 4.320 -0.025 0.000 0.216 1035 A C 0.361 177.922 177.584 -0.040 0.000 1.152 1035 A CA 1.012 53.012 52.037 -0.061 0.000 0.708 1035 A CB 0.070 19.019 19.000 -0.085 0.000 0.805 1035 A HN 0.422 nan 8.150 nan 0.000 0.460 1036 Q N -1.692 118.089 119.800 -0.033 0.000 2.423 1036 Q HA 0.389 4.715 4.340 -0.025 0.000 0.278 1036 Q C -2.312 173.721 176.000 0.054 0.000 1.097 1036 Q CA -1.761 54.045 55.803 0.005 0.000 0.809 1036 Q CB 1.999 30.748 28.738 0.018 0.000 1.391 1036 Q HN 0.017 nan 8.270 nan 0.000 0.428 1037 P HA 0.019 nan 4.420 nan 0.000 0.231 1037 P C 0.163 177.642 177.300 0.299 0.000 1.168 1037 P CA 0.721 63.908 63.100 0.144 0.000 0.779 1037 P CB 0.440 32.169 31.700 0.048 0.000 0.844 1038 G N -1.256 107.710 108.800 0.276 0.000 3.899 1038 G HA2 -0.027 3.918 3.960 -0.025 0.000 0.293 1038 G HA3 -0.027 3.918 3.960 -0.025 0.000 0.293 1038 G C 0.566 175.538 174.900 0.120 0.000 1.054 1038 G CA -0.160 45.091 45.100 0.252 0.000 0.846 1038 G HN 0.063 nan 8.290 nan 0.000 0.525 1039 Y N 0.645 120.921 120.300 -0.040 0.000 2.395 1039 Y HA 0.122 4.654 4.550 -0.031 0.000 0.293 1039 Y C 1.756 177.481 175.900 -0.291 0.000 1.123 1039 Y CA 0.807 58.788 58.100 -0.199 0.000 1.227 1039 Y CB 0.095 38.376 38.460 -0.299 0.000 1.012 1039 Y HN 0.289 nan 8.280 nan 0.000 0.552 1040 H N -1.716 117.371 119.070 0.029 0.000 3.505 1040 H HA 0.228 4.772 4.556 -0.021 0.000 0.129 1040 H C 1.913 177.243 175.328 0.003 0.000 1.572 1040 H CA 0.623 56.685 56.048 0.022 0.000 1.611 1040 H CB -0.240 29.664 29.762 0.238 0.000 0.783 1040 H HN -0.028 nan 8.280 nan 0.000 0.769 1041 S N 0.123 115.951 115.700 0.214 0.000 2.399 1041 S HA -0.116 4.339 4.470 -0.025 0.000 0.231 1041 S C 1.975 176.597 174.600 0.037 0.000 1.022 1041 S CA 1.604 59.863 58.200 0.099 0.000 0.983 1041 S CB -0.372 62.874 63.200 0.077 0.000 0.803 1041 S HN 0.479 nan 8.310 nan 0.000 0.480 1042 T N 1.208 115.770 114.554 0.013 0.000 2.962 1042 T HA -0.017 4.318 4.350 -0.025 0.000 0.270 1042 T C 1.711 176.373 174.700 -0.064 0.000 1.088 1042 T CA 1.199 63.259 62.100 -0.067 0.000 1.127 1042 T CB -0.331 68.409 68.868 -0.214 0.000 0.883 1042 T HN 0.541 nan 8.240 nan 0.000 0.493 1043 G N 0.498 109.263 108.800 -0.059 0.000 3.141 1043 G HA2 0.078 4.023 3.960 -0.025 0.000 0.218 1043 G HA3 0.078 4.023 3.960 -0.025 0.000 0.218 1043 G C 1.146 175.916 174.900 -0.218 0.000 1.170 1043 G CA -0.354 44.677 45.100 -0.114 0.000 0.769 1043 G HN 0.382 nan 8.290 nan 0.000 0.546 1044 R N 0.022 120.443 120.500 -0.132 0.000 2.572 1044 R HA 0.252 4.577 4.340 -0.025 0.000 0.370 1044 R C 0.198 176.611 176.300 0.189 0.000 1.005 1044 R CA -0.164 55.866 56.100 -0.118 0.000 1.146 1044 R CB 0.856 31.195 30.300 0.064 0.000 1.390 1044 R HN 0.139 nan 8.270 nan 0.000 0.553 1045 S N 0.205 115.967 115.700 0.102 0.000 2.661 1045 S HA 0.321 4.776 4.470 -0.025 0.000 0.265 1045 S C 1.147 175.900 174.600 0.254 0.000 1.225 1045 S CA -0.317 57.992 58.200 0.181 0.000 0.986 1045 S CB 1.456 64.712 63.200 0.093 0.000 1.008 1045 S HN 0.342 nan 8.310 nan 0.000 0.565 1046 A N 0.202 123.164 122.820 0.236 0.000 2.218 1046 A HA 0.571 4.876 4.320 -0.025 0.000 0.209 1046 A C 1.242 178.916 177.584 0.149 0.000 1.168 1046 A CA 0.604 52.776 52.037 0.226 0.000 0.804 1046 A CB -1.064 18.007 19.000 0.117 0.000 0.834 1046 A HN 1.791 nan 8.150 nan 0.000 0.482 1047 A N -0.479 122.411 122.820 0.117 0.000 2.791 1047 A HA -0.220 4.085 4.320 -0.025 0.000 0.292 1047 A C 0.242 177.896 177.584 0.117 0.000 1.487 1047 A CA 1.338 53.423 52.037 0.080 0.000 0.760 1047 A CB -2.710 16.322 19.000 0.054 0.000 1.031 1047 A HN 0.906 nan 8.150 nan 0.000 0.503 1048 H N -1.956 117.123 119.070 0.015 0.000 2.731 1048 H HA 0.625 5.165 4.556 -0.027 0.000 0.368 1048 H C -1.191 174.194 175.328 0.094 0.000 1.168 1048 H CA -0.612 55.449 56.048 0.021 0.000 1.181 1048 H CB 1.535 31.258 29.762 -0.066 0.000 1.743 1048 H HN 0.506 nan 8.280 nan 0.000 0.547 1049 Y N 2.203 122.152 120.300 -0.586 0.000 2.376 1049 Y HA 0.236 4.771 4.550 -0.026 0.000 0.326 1049 Y C -0.980 174.733 175.900 -0.312 0.000 0.970 1049 Y CA -0.343 57.587 58.100 -0.284 0.000 1.248 1049 Y CB 1.174 39.521 38.460 -0.188 0.000 1.117 1049 Y HN 0.490 nan 8.280 nan 0.000 0.476 1050 T N 6.357 120.721 114.554 -0.317 0.000 2.864 1050 T HA 0.249 4.584 4.350 -0.025 0.000 0.299 1050 T C 0.656 175.246 174.700 -0.184 0.000 1.011 1050 T CA -0.122 61.911 62.100 -0.111 0.000 0.975 1050 T CB 0.577 69.470 68.868 0.042 0.000 0.962 1050 T HN 0.715 nan 8.240 nan 0.000 0.448 1051 V N 3.843 123.651 119.914 -0.178 0.000 2.453 1051 V HA 0.419 4.524 4.120 -0.025 0.000 0.247 1051 V C 1.430 177.502 176.094 -0.036 0.000 1.048 1051 V CA 1.389 63.598 62.300 -0.152 0.000 1.049 1051 V CB -0.787 30.988 31.823 -0.080 0.000 0.672 1051 V HN 0.913 nan 8.190 nan 0.000 0.457 1052 A N 0.141 122.971 122.820 0.016 0.000 3.056 1052 A HA 0.591 4.896 4.320 -0.025 0.000 0.274 1052 A C -0.507 177.162 177.584 0.142 0.000 1.661 1052 A CA -0.286 51.778 52.037 0.044 0.000 1.363 1052 A CB -1.070 17.949 19.000 0.031 0.000 1.139 1052 A HN 0.891 nan 8.150 nan 0.000 0.598 1053 Y N 0.332 120.602 120.300 -0.050 0.000 2.480 1053 Y HA 0.464 4.999 4.550 -0.025 0.000 0.329 1053 Y C 0.465 176.308 175.900 -0.095 0.000 1.127 1053 Y CA 0.215 58.313 58.100 -0.003 0.000 1.037 1053 Y CB 1.183 39.682 38.460 0.066 0.000 1.320 1053 Y HN 1.370 nan 8.280 nan 0.000 0.446 1054 G N 2.354 110.944 108.800 -0.350 0.000 2.681 1054 G HA2 -0.114 3.831 3.960 -0.025 0.000 0.220 1054 G HA3 -0.114 3.831 3.960 -0.025 0.000 0.220 1054 G C -0.318 174.413 174.900 -0.283 0.000 1.353 1054 G CA -0.433 44.360 45.100 -0.512 0.000 0.872 1054 G HN 1.203 nan 8.290 nan 0.000 0.557 1055 T N -1.354 113.035 114.554 -0.276 0.000 2.788 1055 T HA 0.603 4.938 4.350 -0.025 0.000 0.280 1055 T C -1.053 173.552 174.700 -0.159 0.000 0.984 1055 T CA -0.353 61.649 62.100 -0.163 0.000 0.972 1055 T CB 1.586 70.375 68.868 -0.132 0.000 1.039 1055 T HN 0.361 nan 8.240 nan 0.000 0.530 1056 P HA -0.094 nan 4.420 nan 0.000 0.218 1056 P C 1.795 179.034 177.300 -0.101 0.000 1.149 1056 P CA 0.780 63.825 63.100 -0.092 0.000 0.817 1056 P CB -0.015 31.647 31.700 -0.064 0.000 0.785 1057 Q N 0.155 119.891 119.800 -0.107 0.000 2.096 1057 Q HA -0.149 4.176 4.340 -0.025 0.000 0.204 1057 Q C 1.892 177.806 176.000 -0.144 0.000 0.982 1057 Q CA 1.788 57.527 55.803 -0.106 0.000 0.850 1057 Q CB -0.575 28.105 28.738 -0.096 0.000 0.901 1057 Q HN 0.059 nan 8.270 nan 0.000 0.422 1058 V N 1.153 120.933 119.914 -0.224 0.000 2.295 1058 V HA -0.276 3.829 4.120 -0.025 0.000 0.246 1058 V C 2.487 178.442 176.094 -0.231 0.000 1.049 1058 V CA 2.122 64.230 62.300 -0.320 0.000 1.024 1058 V CB -0.601 30.818 31.823 -0.674 0.000 0.648 1058 V HN 0.363 nan 8.190 nan 0.000 0.447 1059 R N -0.084 120.301 120.500 -0.191 0.000 2.096 1059 R HA -0.117 4.208 4.340 -0.025 0.000 0.235 1059 R C 2.391 178.639 176.300 -0.087 0.000 1.127 1059 R CA 1.430 57.454 56.100 -0.127 0.000 0.968 1059 R CB -0.533 29.716 30.300 -0.085 0.000 0.861 1059 R HN 0.556 nan 8.270 nan 0.000 0.440 1060 A N 1.177 123.953 122.820 -0.075 0.000 1.898 1060 A HA -0.090 4.215 4.320 -0.025 0.000 0.216 1060 A C 2.178 179.710 177.584 -0.087 0.000 1.181 1060 A CA 0.927 52.940 52.037 -0.040 0.000 0.620 1060 A CB -0.433 18.555 19.000 -0.020 0.000 0.819 1060 A HN 0.156 nan 8.150 nan 0.000 0.442 1061 L N -0.623 120.538 121.223 -0.103 0.000 2.083 1061 L HA -0.176 4.149 4.340 -0.025 0.000 0.209 1061 L C 2.790 179.602 176.870 -0.098 0.000 1.083 1061 L CA 1.778 56.551 54.840 -0.111 0.000 0.752 1061 L CB -0.752 41.252 42.059 -0.092 0.000 0.899 1061 L HN 0.355 nan 8.230 nan 0.000 0.433 1062 T N -0.363 114.141 114.554 -0.084 0.000 2.701 1062 T HA -0.124 4.211 4.350 -0.025 0.000 0.263 1062 T C 2.025 176.723 174.700 -0.003 0.000 1.040 1062 T CA 1.247 63.316 62.100 -0.050 0.000 1.147 1062 T CB -0.263 68.493 68.868 -0.186 0.000 0.865 1062 T HN 0.427 nan 8.240 nan 0.000 0.426 1063 A N 1.538 124.322 122.820 -0.061 0.000 1.908 1063 A HA 0.081 4.386 4.320 -0.025 0.000 0.218 1063 A C 2.541 179.935 177.584 -0.316 0.000 1.181 1063 A CA 1.889 53.902 52.037 -0.041 0.000 0.627 1063 A CB -1.023 17.993 19.000 0.027 0.000 0.818 1063 A HN 0.516 nan 8.150 nan 0.000 0.445 1064 A N -0.973 121.527 122.820 -0.533 0.000 2.168 1064 A HA 0.089 4.394 4.320 -0.025 0.000 0.215 1064 A C 2.189 179.579 177.584 -0.323 0.000 1.152 1064 A CA 1.561 53.171 52.037 -0.713 0.000 0.716 1064 A CB -0.466 18.255 19.000 -0.464 0.000 0.794 1064 A HN 0.420 nan 8.150 nan 0.000 0.465 1065 S N -1.031 114.518 115.700 -0.251 0.000 2.496 1065 S HA 0.001 4.456 4.470 -0.025 0.000 0.224 1065 S C 1.882 176.151 174.600 -0.552 0.000 0.996 1065 S CA 0.550 58.502 58.200 -0.414 0.000 0.927 1065 S CB -0.143 62.803 63.200 -0.423 0.000 0.774 1065 S HN 0.677 nan 8.310 nan 0.000 0.524 1066 R N 1.546 121.923 120.500 -0.204 0.000 2.120 1066 R HA -0.031 4.294 4.340 -0.025 0.000 0.234 1066 R C 2.317 178.551 176.300 -0.111 0.000 1.123 1066 R CA 1.165 57.178 56.100 -0.145 0.000 0.975 1066 R CB -0.374 29.918 30.300 -0.013 0.000 0.866 1066 R HN 0.383 nan 8.270 nan 0.000 0.446 1067 A N 0.340 123.114 122.820 -0.077 0.000 1.908 1067 A HA -0.229 4.076 4.320 -0.025 0.000 0.218 1067 A C 1.961 179.527 177.584 -0.030 0.000 1.181 1067 A CA 1.463 53.480 52.037 -0.035 0.000 0.627 1067 A CB -0.774 18.216 19.000 -0.016 0.000 0.818 1067 A HN 0.519 nan 8.150 nan 0.000 0.445 1068 F N -0.462 119.379 119.950 -0.181 0.000 2.146 1068 F HA -0.090 4.420 4.527 -0.027 0.000 0.298 1068 F C 1.873 177.635 175.800 -0.063 0.000 1.096 1068 F CA 1.471 59.395 58.000 -0.128 0.000 1.275 1068 F CB -0.234 38.712 39.000 -0.089 0.000 1.008 1068 F HN 0.207 nan 8.300 nan 0.000 0.480 1069 F N 0.780 120.772 119.950 0.070 0.000 2.171 1069 F HA -0.184 4.331 4.527 -0.020 0.000 0.300 1069 F C 2.387 178.086 175.800 -0.168 0.000 1.090 1069 F CA 1.283 59.244 58.000 -0.065 0.000 1.293 1069 F CB -1.298 37.663 39.000 -0.064 0.000 1.013 1069 F HN 0.037 nan 8.300 nan 0.000 0.486 1070 D N -0.683 119.735 120.400 0.030 0.000 2.249 1070 D HA -0.027 4.599 4.640 -0.025 0.000 0.205 1070 D C 0.273 176.524 176.300 -0.081 0.000 0.962 1070 D CA 0.786 54.767 54.000 -0.033 0.000 0.860 1070 D CB -0.108 40.671 40.800 -0.036 0.000 0.955 1070 D HN 0.281 nan 8.370 nan 0.000 0.505 1071 N N 1.511 120.130 118.700 -0.134 0.000 2.723 1071 N HA 0.183 4.908 4.740 -0.025 0.000 0.290 1071 N C -2.632 172.703 175.510 -0.292 0.000 1.882 1071 N CA -0.798 52.157 53.050 -0.158 0.000 0.851 1071 N CB 2.029 40.458 38.487 -0.096 0.000 1.234 1071 N HN 0.136 nan 8.380 nan 0.000 0.491 1072 P HA 0.351 nan 4.420 nan 0.000 0.274 1072 P C -2.608 174.461 177.300 -0.384 0.000 1.246 1072 P CA -1.012 61.588 63.100 -0.833 0.000 0.795 1072 P CB -0.059 31.018 31.700 -1.040 0.000 1.006 1073 P HA 0.071 nan 4.420 nan 0.000 0.268 1073 P C -0.278 177.025 177.300 0.006 0.000 1.208 1073 P CA 0.150 63.219 63.100 -0.051 0.000 0.777 1073 P CB 0.001 31.743 31.700 0.071 0.000 0.875 1074 A N 2.268 125.092 122.820 0.008 0.000 2.540 1074 A HA 0.400 4.705 4.320 -0.025 0.000 0.239 1074 A C 1.572 179.179 177.584 0.038 0.000 1.061 1074 A CA 0.798 52.841 52.037 0.010 0.000 0.758 1074 A CB -1.360 17.639 19.000 -0.001 0.000 0.991 1074 A HN 0.897 nan 8.150 nan 0.000 0.502 1075 G N 1.067 109.879 108.800 0.020 0.000 2.225 1075 G HA2 -0.342 3.603 3.960 -0.025 0.000 0.254 1075 G HA3 -0.342 3.603 3.960 -0.025 0.000 0.254 1075 G C 0.828 175.750 174.900 0.037 0.000 0.988 1075 G CA 0.975 46.082 45.100 0.012 0.000 0.625 1075 G HN 1.396 nan 8.290 nan 0.000 0.527 1076 F N 1.912 121.820 119.950 -0.070 0.000 2.134 1076 F HA 0.167 4.682 4.527 -0.019 0.000 0.299 1076 F C 1.752 177.481 175.800 -0.118 0.000 1.097 1076 F CA 2.045 59.997 58.000 -0.081 0.000 1.264 1076 F CB -0.096 38.825 39.000 -0.133 0.000 1.001 1076 F HN 0.874 nan 8.300 nan 0.000 0.479 1077 C N -2.114 117.142 119.300 -0.073 0.000 3.332 1077 C HA 0.451 4.896 4.460 -0.025 0.000 0.329 1077 C C 0.836 175.729 174.990 -0.160 0.000 1.434 1077 C CA -0.778 58.128 59.018 -0.187 0.000 1.314 1077 C CB 1.215 28.875 27.740 -0.133 0.000 1.664 1077 C HN 0.396 nan 8.230 nan 0.000 0.457 1078 E N -0.495 119.553 120.200 -0.253 0.000 2.364 1078 E HA 0.141 4.476 4.350 -0.025 0.000 0.196 1078 E C -0.022 176.221 176.600 -0.595 0.000 0.990 1078 E CA 0.580 56.703 56.400 -0.461 0.000 0.886 1078 E CB 0.203 29.522 29.700 -0.636 0.000 0.866 1078 E HN 0.616 nan 8.360 nan 0.000 0.493 1079 H N -0.524 118.520 119.070 -0.043 0.000 2.928 1079 H HA 0.330 4.869 4.556 -0.029 0.000 0.371 1079 H C -2.391 172.915 175.328 -0.036 0.000 1.186 1079 H CA -2.424 53.600 56.048 -0.039 0.000 1.134 1079 H CB 0.841 30.578 29.762 -0.043 0.000 1.824 1079 H HN -0.122 nan 8.280 nan 0.000 0.554 1080 P HA 0.038 nan 4.420 nan 0.000 0.265 1080 P C 0.877 178.185 177.300 0.014 0.000 1.187 1080 P CA 0.096 63.213 63.100 0.029 0.000 0.766 1080 P CB 0.920 32.627 31.700 0.013 0.000 0.820 1081 L N 1.485 122.700 121.223 -0.012 0.000 2.270 1081 L HA 0.086 4.412 4.340 -0.025 0.000 0.210 1081 L C 0.772 177.583 176.870 -0.098 0.000 1.104 1081 L CA 0.630 55.442 54.840 -0.046 0.000 0.804 1081 L CB -0.203 41.832 42.059 -0.040 0.000 0.937 1081 L HN 0.298 nan 8.230 nan 0.000 0.450 1082 L N -1.003 120.168 121.223 -0.086 0.000 2.334 1082 L HA 0.416 4.741 4.340 -0.025 0.000 0.276 1082 L C -0.152 176.681 176.870 -0.060 0.000 1.014 1082 L CA -0.251 54.525 54.840 -0.107 0.000 0.815 1082 L CB 1.975 43.950 42.059 -0.139 0.000 1.268 1082 L HN -0.143 nan 8.230 nan 0.000 0.428 1083 S N 2.969 118.641 115.700 -0.047 0.000 2.500 1083 S HA 0.630 5.085 4.470 -0.025 0.000 0.301 1083 S C -2.667 171.935 174.600 0.002 0.000 1.092 1083 S CA -1.543 56.648 58.200 -0.016 0.000 1.030 1083 S CB 1.873 65.070 63.200 -0.004 0.000 1.031 1083 S HN 0.279 nan 8.310 nan 0.000 0.483 1084 P HA 0.303 nan 4.420 nan 0.000 0.267 1084 P C -0.850 176.494 177.300 0.073 0.000 1.205 1084 P CA -0.124 62.998 63.100 0.037 0.000 0.765 1084 P CB 0.260 31.985 31.700 0.042 0.000 0.828 1085 R N 3.863 124.424 120.500 0.101 0.000 3.101 1085 R HA 0.357 4.682 4.340 -0.025 0.000 0.242 1085 R C -2.873 173.549 176.300 0.203 0.000 1.831 1085 R CA -1.860 54.342 56.100 0.170 0.000 1.321 1085 R CB 0.003 30.447 30.300 0.239 0.000 1.512 1085 R HN 0.225 nan 8.270 nan 0.000 0.568 1086 P HA -0.060 nan 4.420 nan 0.000 0.267 1086 P C -0.979 176.287 177.300 -0.057 0.000 1.195 1086 P CA 0.143 63.193 63.100 -0.084 0.000 0.773 1086 P CB 0.594 32.143 31.700 -0.251 0.000 0.837 1087 E N 1.810 121.918 120.200 -0.153 0.000 2.187 1087 E HA 0.481 4.816 4.350 -0.025 0.000 0.268 1087 E C -1.206 175.322 176.600 -0.119 0.000 0.896 1087 E CA -0.762 55.564 56.400 -0.123 0.000 0.766 1087 E CB 0.811 30.468 29.700 -0.071 0.000 1.142 1087 E HN 0.312 nan 8.360 nan 0.000 0.408 1088 M N 5.376 124.967 119.600 -0.014 0.000 2.125 1088 M HA 0.332 4.797 4.480 -0.025 0.000 0.321 1088 M C -1.784 174.517 176.300 0.001 0.000 0.983 1088 M CA -0.808 54.539 55.300 0.079 0.000 0.934 1088 M CB 1.347 34.051 32.600 0.174 0.000 1.542 1088 M HN 0.297 nan 8.290 nan 0.000 0.424 1089 V N 6.131 126.043 119.914 -0.004 0.000 2.348 1089 V HA 0.351 4.456 4.120 -0.025 0.000 0.270 1089 V C -0.309 175.749 176.094 -0.060 0.000 1.037 1089 V CA -0.617 61.664 62.300 -0.031 0.000 0.872 1089 V CB 1.185 33.001 31.823 -0.011 0.000 1.002 1089 V HN 0.631 nan 8.190 nan 0.000 0.464 1090 V N 3.873 123.711 119.914 -0.127 0.000 2.427 1090 V HA 0.305 4.410 4.120 -0.025 0.000 0.286 1090 V C 0.043 175.922 176.094 -0.358 0.000 1.034 1090 V CA -0.606 61.498 62.300 -0.327 0.000 0.893 1090 V CB 1.957 33.416 31.823 -0.607 0.000 0.982 1090 V HN 0.897 nan 8.190 nan 0.000 0.452 1091 D N 3.355 123.601 120.400 -0.256 0.000 2.352 1091 D HA 0.208 4.833 4.640 -0.025 0.000 0.245 1091 D C 0.160 176.421 176.300 -0.065 0.000 1.224 1091 D CA 0.005 53.956 54.000 -0.081 0.000 0.879 1091 D CB 0.484 41.296 40.800 0.020 0.000 1.057 1091 D HN 0.374 nan 8.370 nan 0.000 0.491 1092 F N 1.292 121.369 119.950 0.210 0.000 2.727 1092 F HA 0.113 4.625 4.527 -0.026 0.000 0.302 1092 F C 2.096 178.046 175.800 0.251 0.000 1.097 1092 F CA -0.161 58.010 58.000 0.285 0.000 1.330 1092 F CB 0.389 39.528 39.000 0.231 0.000 1.084 1092 F HN 0.265 nan 8.300 nan 0.000 0.578 1093 S N -1.674 114.165 115.700 0.231 0.000 2.497 1093 S HA -0.003 4.452 4.470 -0.025 0.000 0.218 1093 S C 0.026 174.445 174.600 -0.302 0.000 1.023 1093 S CA 0.109 58.325 58.200 0.026 0.000 0.913 1093 S CB 0.019 63.240 63.200 0.034 0.000 0.800 1093 S HN 0.326 nan 8.310 nan 0.000 0.505 1094 D N 1.837 121.871 120.400 -0.611 0.000 3.026 1094 D HA -0.144 4.481 4.640 -0.025 0.000 0.248 1094 D C -1.308 174.774 176.300 -0.363 0.000 1.100 1094 D CA 0.371 53.810 54.000 -0.936 0.000 0.855 1094 D CB -1.257 38.625 40.800 -1.530 0.000 1.011 1094 D HN 0.275 nan 8.370 nan 0.000 0.423 1095 D N 1.455 121.745 120.400 -0.184 0.000 2.656 1095 D HA 0.246 4.871 4.640 -0.025 0.000 0.303 1095 D C -1.601 174.673 176.300 -0.044 0.000 1.199 1095 D CA -1.355 52.592 54.000 -0.089 0.000 0.797 1095 D CB 0.990 41.760 40.800 -0.050 0.000 1.170 1095 D HN 0.114 nan 8.370 nan 0.000 0.509 1096 P HA -0.136 nan 4.420 nan 0.000 0.218 1096 P C 1.065 178.368 177.300 0.005 0.000 1.148 1096 P CA 0.958 64.052 63.100 -0.009 0.000 0.822 1096 P CB 0.688 32.384 31.700 -0.007 0.000 0.784 1097 E N -0.184 120.016 120.200 -0.001 0.000 2.072 1097 E HA -0.197 4.138 4.350 -0.025 0.000 0.191 1097 E C 2.125 178.736 176.600 0.019 0.000 0.985 1097 E CA 0.939 57.345 56.400 0.010 0.000 0.801 1097 E CB -0.242 29.459 29.700 0.002 0.000 0.750 1097 E HN 0.221 nan 8.360 nan 0.000 0.452 1098 E N 1.004 121.211 120.200 0.012 0.000 2.072 1098 E HA -0.170 4.165 4.350 -0.025 0.000 0.191 1098 E C 1.907 178.530 176.600 0.038 0.000 0.985 1098 E CA 0.532 56.946 56.400 0.022 0.000 0.801 1098 E CB -0.166 29.543 29.700 0.016 0.000 0.750 1098 E HN 0.124 nan 8.360 nan 0.000 0.452 1099 L N 0.687 121.931 121.223 0.034 0.000 2.012 1099 L HA -0.118 4.207 4.340 -0.025 0.000 0.210 1099 L C 2.425 179.347 176.870 0.087 0.000 1.073 1099 L CA 1.995 56.864 54.840 0.048 0.000 0.748 1099 L CB -0.601 41.472 42.059 0.024 0.000 0.891 1099 L HN 0.078 nan 8.230 nan 0.000 0.431 1100 R N -0.277 120.272 120.500 0.082 0.000 2.092 1100 R HA -0.100 4.225 4.340 -0.025 0.000 0.231 1100 R C 2.389 178.775 176.300 0.144 0.000 1.119 1100 R CA 1.560 57.743 56.100 0.139 0.000 0.970 1100 R CB -0.400 29.956 30.300 0.093 0.000 0.864 1100 R HN 0.329 nan 8.270 nan 0.000 0.440 1101 R N -0.127 120.422 120.500 0.081 0.000 2.081 1101 R HA -0.096 4.229 4.340 -0.025 0.000 0.235 1101 R C 2.380 178.711 176.300 0.052 0.000 1.131 1101 R CA 1.937 58.069 56.100 0.053 0.000 0.960 1101 R CB -0.172 30.148 30.300 0.032 0.000 0.856 1101 R HN 0.438 nan 8.270 nan 0.000 0.436 1102 Q N -0.815 119.028 119.800 0.073 0.000 2.119 1102 Q HA -0.202 4.123 4.340 -0.025 0.000 0.201 1102 Q C 1.828 177.885 176.000 0.094 0.000 0.972 1102 Q CA 1.379 57.224 55.803 0.071 0.000 0.847 1102 Q CB -0.180 28.603 28.738 0.077 0.000 0.903 1102 Q HN 0.377 nan 8.270 nan 0.000 0.433 1103 Y N 2.136 122.446 120.300 0.017 0.000 2.097 1103 Y HA -0.227 4.308 4.550 -0.025 0.000 0.282 1103 Y C 2.017 177.928 175.900 0.018 0.000 1.152 1103 Y CA 1.572 59.684 58.100 0.020 0.000 1.136 1103 Y CB -0.055 38.417 38.460 0.020 0.000 0.975 1103 Y HN 0.005 nan 8.280 nan 0.000 0.498 1104 E N -0.385 119.682 120.200 -0.221 0.000 2.077 1104 E HA -0.196 4.139 4.350 -0.025 0.000 0.193 1104 E C 2.479 178.955 176.600 -0.206 0.000 0.989 1104 E CA 1.281 57.497 56.400 -0.306 0.000 0.800 1104 E CB -0.650 28.989 29.700 -0.102 0.000 0.746 1104 E HN 0.461 nan 8.360 nan 0.000 0.452 1105 S N 0.042 115.680 115.700 -0.104 0.000 2.368 1105 S HA -0.085 4.370 4.470 -0.025 0.000 0.224 1105 S C 2.063 176.617 174.600 -0.075 0.000 1.029 1105 S CA 1.494 59.652 58.200 -0.069 0.000 0.988 1105 S CB -0.332 62.851 63.200 -0.028 0.000 0.838 1105 S HN 0.352 nan 8.310 nan 0.000 0.462 1106 G N 0.785 109.541 108.800 -0.074 0.000 2.408 1106 G HA2 -0.143 3.802 3.960 -0.025 0.000 0.217 1106 G HA3 -0.143 3.802 3.960 -0.025 0.000 0.217 1106 G C 1.462 176.314 174.900 -0.080 0.000 1.150 1106 G CA 0.715 45.788 45.100 -0.046 0.000 0.776 1106 G HN 0.539 nan 8.290 nan 0.000 0.542 1107 K N 0.503 120.794 120.400 -0.182 0.000 2.147 1107 K HA 0.020 4.325 4.320 -0.025 0.000 0.205 1107 K C 2.703 179.235 176.600 -0.113 0.000 1.049 1107 K CA 1.013 57.186 56.287 -0.189 0.000 0.936 1107 K CB -0.201 32.056 32.500 -0.405 0.000 0.722 1107 K HN 0.239 nan 8.250 nan 0.000 0.446 1108 A N 0.458 123.214 122.820 -0.108 0.000 2.015 1108 A HA -0.109 4.196 4.320 -0.025 0.000 0.219 1108 A C 1.810 179.371 177.584 -0.038 0.000 1.163 1108 A CA 1.019 53.015 52.037 -0.068 0.000 0.646 1108 A CB -0.141 18.820 19.000 -0.064 0.000 0.806 1108 A HN 0.310 nan 8.150 nan 0.000 0.448 1109 L N -1.408 119.797 121.223 -0.029 0.000 2.515 1109 L HA 0.270 4.595 4.340 -0.025 0.000 0.223 1109 L C 0.035 176.912 176.870 0.012 0.000 1.079 1109 L CA 0.950 55.788 54.840 -0.003 0.000 0.857 1109 L CB 0.915 42.975 42.059 0.001 0.000 1.050 1109 L HN 0.046 nan 8.230 nan 0.000 0.476 1110 V N 1.023 120.938 119.914 0.003 0.000 2.320 1110 V HA 0.300 4.405 4.120 -0.025 0.000 0.268 1110 V C -1.707 174.395 176.094 0.014 0.000 1.021 1110 V CA -0.894 61.419 62.300 0.020 0.000 0.813 1110 V CB 0.920 32.758 31.823 0.025 0.000 1.054 1110 V HN 0.024 nan 8.190 nan 0.000 0.444 1111 P HA -0.149 nan 4.420 nan 0.000 0.219 1111 P C 1.365 178.693 177.300 0.046 0.000 1.146 1111 P CA 1.227 64.339 63.100 0.019 0.000 0.808 1111 P CB 0.263 31.977 31.700 0.022 0.000 0.779 1112 Q N -1.714 118.122 119.800 0.060 0.000 2.482 1112 Q HA 0.057 4.382 4.340 -0.025 0.000 0.209 1112 Q C 0.928 177.001 176.000 0.121 0.000 0.961 1112 Q CA -0.105 55.750 55.803 0.087 0.000 0.945 1112 Q CB -0.295 28.491 28.738 0.081 0.000 1.012 1112 Q HN 0.344 nan 8.270 nan 0.000 0.515 1113 M N 1.238 120.905 119.600 0.111 0.000 2.245 1113 M HA 0.068 4.533 4.480 -0.025 0.000 0.344 1113 M C -0.600 175.888 176.300 0.313 0.000 1.170 1113 M CA 0.684 56.086 55.300 0.170 0.000 1.135 1113 M CB 0.532 33.202 32.600 0.117 0.000 1.574 1113 M HN -0.064 nan 8.290 nan 0.000 0.452 1114 R N 3.072 123.769 120.500 0.328 0.000 2.803 1114 R HA 0.625 4.950 4.340 -0.025 0.000 0.276 1114 R C -1.598 174.741 176.300 0.065 0.000 0.978 1114 R CA -1.011 55.238 56.100 0.248 0.000 0.939 1114 R CB 1.785 32.191 30.300 0.177 0.000 1.179 1114 R HN 0.641 nan 8.270 nan 0.000 0.472 1115 L N 3.164 124.180 121.223 -0.344 0.000 2.272 1115 L HA 0.446 4.771 4.340 -0.025 0.000 0.289 1115 L C -1.324 175.402 176.870 -0.240 0.000 1.032 1115 L CA -0.106 54.442 54.840 -0.487 0.000 0.810 1115 L CB 0.925 42.376 42.059 -1.013 0.000 1.205 1115 L HN 0.436 nan 8.230 nan 0.000 0.422 1116 L N 3.717 124.852 121.223 -0.147 0.000 2.331 1116 L HA 0.508 4.833 4.340 -0.025 0.000 0.275 1116 L C -0.329 176.474 176.870 -0.112 0.000 1.022 1116 L CA -1.116 53.653 54.840 -0.119 0.000 0.812 1116 L CB 1.701 43.698 42.059 -0.104 0.000 1.257 1116 L HN 0.637 nan 8.230 nan 0.000 0.435 1117 D N 1.293 121.632 120.400 -0.103 0.000 2.433 1117 D HA 0.255 4.880 4.640 -0.025 0.000 0.255 1117 D C 0.872 177.112 176.300 -0.101 0.000 1.226 1117 D CA -0.238 53.709 54.000 -0.088 0.000 1.015 1117 D CB 1.018 41.774 40.800 -0.074 0.000 1.091 1117 D HN 0.515 nan 8.370 nan 0.000 0.527 1118 A N -0.469 122.290 122.820 -0.103 0.000 1.933 1118 A HA -0.215 4.090 4.320 -0.025 0.000 0.218 1118 A C 2.009 179.517 177.584 -0.127 0.000 1.175 1118 A CA 1.910 53.865 52.037 -0.136 0.000 0.628 1118 A CB -1.061 17.835 19.000 -0.172 0.000 0.814 1118 A HN 0.800 nan 8.150 nan 0.000 0.444 1119 E N -0.348 119.789 120.200 -0.105 0.000 2.106 1119 E HA -0.246 4.089 4.350 -0.025 0.000 0.192 1119 E C 2.103 178.643 176.600 -0.100 0.000 0.984 1119 E CA 1.279 57.622 56.400 -0.094 0.000 0.806 1119 E CB -0.168 29.487 29.700 -0.076 0.000 0.750 1119 E HN 0.762 nan 8.360 nan 0.000 0.458 1120 Q N -0.066 119.671 119.800 -0.106 0.000 2.084 1120 Q HA -0.141 4.184 4.340 -0.025 0.000 0.202 1120 Q C 2.210 178.125 176.000 -0.142 0.000 0.978 1120 Q CA 1.333 57.062 55.803 -0.124 0.000 0.844 1120 Q CB -0.138 28.521 28.738 -0.132 0.000 0.898 1120 Q HN 0.359 nan 8.270 nan 0.000 0.426 1121 A N 0.242 122.979 122.820 -0.138 0.000 1.883 1121 A HA -0.215 4.090 4.320 -0.025 0.000 0.217 1121 A C 2.276 179.773 177.584 -0.144 0.000 1.186 1121 A CA 1.442 53.394 52.037 -0.142 0.000 0.624 1121 A CB -0.969 17.940 19.000 -0.151 0.000 0.822 1121 A HN 0.512 nan 8.150 nan 0.000 0.444 1122 C N -0.637 118.583 119.300 -0.133 0.000 2.432 1122 C HA -0.004 4.441 4.460 -0.025 0.000 0.280 1122 C C 3.207 178.126 174.990 -0.118 0.000 1.353 1122 C CA 1.087 60.031 59.018 -0.124 0.000 1.766 1122 C CB -1.254 26.425 27.740 -0.102 0.000 1.924 1122 C HN 0.616 nan 8.230 nan 0.000 0.509 1123 S N 1.041 116.676 115.700 -0.107 0.000 2.383 1123 S HA -0.044 4.411 4.470 -0.025 0.000 0.227 1123 S C 1.608 176.152 174.600 -0.094 0.000 1.026 1123 S CA 1.223 59.371 58.200 -0.086 0.000 0.981 1123 S CB -0.255 62.896 63.200 -0.081 0.000 0.818 1123 S HN 0.603 nan 8.310 nan 0.000 0.472 1124 I N 0.716 121.207 120.570 -0.131 0.000 2.286 1124 I HA -0.017 4.138 4.170 -0.025 0.000 0.245 1124 I C 0.089 176.070 176.117 -0.227 0.000 1.104 1124 I CA 0.832 62.056 61.300 -0.125 0.000 1.397 1124 I CB 0.122 38.040 38.000 -0.137 0.000 1.072 1124 I HN 0.034 nan 8.210 nan 0.000 0.417 1125 V N 2.977 122.685 119.914 -0.343 0.000 2.289 1125 V HA 0.202 4.307 4.120 -0.025 0.000 0.272 1125 V C -1.796 174.014 176.094 -0.474 0.000 1.026 1125 V CA -0.912 60.949 62.300 -0.731 0.000 0.807 1125 V CB 1.133 32.510 31.823 -0.744 0.000 1.044 1125 V HN 0.048 nan 8.190 nan 0.000 0.443 1126 P HA -0.054 nan 4.420 nan 0.000 0.237 1126 P C 1.424 178.672 177.300 -0.086 0.000 1.178 1126 P CA 0.826 63.855 63.100 -0.118 0.000 0.766 1126 P CB 0.176 31.876 31.700 0.000 0.000 0.876 1127 V N -4.090 115.741 119.914 -0.139 0.000 3.380 1127 V HA 0.026 4.131 4.120 -0.025 0.000 0.268 1127 V C 1.055 177.118 176.094 -0.051 0.000 1.168 1127 V CA 0.202 62.478 62.300 -0.039 0.000 1.156 1127 V CB -1.467 30.390 31.823 0.057 0.000 0.785 1127 V HN -0.111 nan 8.190 nan 0.000 0.487 1128 L N 1.819 122.989 121.223 -0.088 0.000 2.485 1128 L HA 0.223 4.548 4.340 -0.025 0.000 0.275 1128 L C 0.795 177.665 176.870 -0.001 0.000 1.207 1128 L CA -0.022 54.816 54.840 -0.003 0.000 0.855 1128 L CB 0.180 42.231 42.059 -0.013 0.000 1.114 1128 L HN 0.207 nan 8.230 nan 0.000 0.485 1129 R N 2.594 123.115 120.500 0.035 0.000 2.242 1129 R HA 0.035 4.360 4.340 -0.025 0.000 0.334 1129 R C 0.924 177.212 176.300 -0.020 0.000 1.071 1129 R CA -0.307 55.795 56.100 0.003 0.000 0.922 1129 R CB 0.583 30.886 30.300 0.006 0.000 1.023 1129 R HN 0.460 nan 8.270 nan 0.000 0.458 1130 R N 2.442 122.907 120.500 -0.057 0.000 2.117 1130 R HA -0.160 4.165 4.340 -0.025 0.000 0.243 1130 R C 0.556 176.761 176.300 -0.159 0.000 1.143 1130 R CA 1.828 57.865 56.100 -0.105 0.000 0.968 1130 R CB -0.107 30.139 30.300 -0.091 0.000 0.863 1130 R HN 0.504 nan 8.270 nan 0.000 0.444 1131 D N -0.058 120.272 120.400 -0.117 0.000 2.264 1131 D HA -0.098 4.527 4.640 -0.025 0.000 0.208 1131 D C 1.026 177.207 176.300 -0.199 0.000 0.966 1131 D CA 0.899 54.812 54.000 -0.145 0.000 0.864 1131 D CB 0.108 40.872 40.800 -0.060 0.000 0.933 1131 D HN 0.174 nan 8.370 nan 0.000 0.499 1132 K N -0.003 120.337 120.400 -0.099 0.000 2.393 1132 K HA 0.143 4.448 4.320 -0.025 0.000 0.193 1132 K C 0.107 176.703 176.600 -0.006 0.000 1.026 1132 K CA 0.030 56.357 56.287 0.066 0.000 1.064 1132 K CB 1.128 33.768 32.500 0.232 0.000 0.833 1132 K HN 0.017 nan 8.250 nan 0.000 0.521 1133 V N 1.563 121.276 119.914 -0.336 0.000 2.435 1133 V HA 0.265 4.370 4.120 -0.025 0.000 0.290 1133 V C 0.185 175.899 176.094 -0.633 0.000 1.030 1133 V CA -0.469 61.595 62.300 -0.393 0.000 0.881 1133 V CB 1.190 32.844 31.823 -0.282 0.000 0.983 1133 V HN 0.039 nan 8.190 nan 0.000 0.445 1134 F N 2.229 122.096 119.950 -0.139 0.000 2.706 1134 F HA 0.643 5.155 4.527 -0.025 0.000 0.313 1134 F C 1.166 176.903 175.800 -0.105 0.000 1.096 1134 F CA 0.482 58.429 58.000 -0.089 0.000 1.219 1134 F CB 0.998 39.965 39.000 -0.055 0.000 1.051 1134 F HN 0.750 nan 8.300 nan 0.000 0.568 1135 G N 0.137 108.918 108.800 -0.031 0.000 2.368 1135 G HA2 0.523 4.468 3.960 -0.025 0.000 0.302 1135 G HA3 0.523 4.468 3.960 -0.025 0.000 0.302 1135 G C -2.017 172.824 174.900 -0.098 0.000 1.329 1135 G CA -0.280 44.784 45.100 -0.059 0.000 0.935 1135 G HN 0.455 nan 8.290 nan 0.000 0.590 1136 A N -1.128 121.643 122.820 -0.082 0.000 2.601 1136 A HA 1.037 5.342 4.320 -0.025 0.000 0.291 1136 A C -0.047 177.527 177.584 -0.018 0.000 1.075 1136 A CA 0.546 52.544 52.037 -0.065 0.000 0.671 1136 A CB 1.216 20.172 19.000 -0.073 0.000 1.277 1136 A HN 2.400 nan 8.150 nan 0.000 0.417 1137 T N -1.803 112.770 114.554 0.033 0.000 2.945 1137 T HA 0.691 5.026 4.350 -0.025 0.000 0.286 1137 T C -0.919 173.880 174.700 0.166 0.000 1.025 1137 T CA -0.453 61.707 62.100 0.101 0.000 1.039 1137 T CB 1.388 70.342 68.868 0.143 0.000 1.068 1137 T HN 1.272 nan 8.240 nan 0.000 0.497 1138 Y N 1.063 121.388 120.300 0.043 0.000 2.354 1138 Y HA 0.461 4.996 4.550 -0.025 0.000 0.330 1138 Y C -1.504 174.438 175.900 0.070 0.000 1.011 1138 Y CA -1.181 56.942 58.100 0.039 0.000 1.099 1138 Y CB 1.814 40.286 38.460 0.019 0.000 1.179 1138 Y HN 0.846 nan 8.280 nan 0.000 0.442 1139 D N 8.231 128.419 120.400 -0.354 0.000 2.454 1139 D HA 0.393 5.018 4.640 -0.025 0.000 0.225 1139 D C -2.329 173.713 176.300 -0.430 0.000 1.081 1139 D CA -2.684 51.174 54.000 -0.237 0.000 0.864 1139 D CB 1.977 42.717 40.800 -0.099 0.000 1.040 1139 D HN 0.291 nan 8.370 nan 0.000 0.517 1140 P HA -0.023 nan 4.420 nan 0.000 0.234 1140 P C 0.899 178.165 177.300 -0.056 0.000 1.167 1140 P CA 0.912 63.910 63.100 -0.170 0.000 0.763 1140 P CB 0.202 31.944 31.700 0.069 0.000 0.835 1141 T N -5.093 109.445 114.554 -0.027 0.000 3.069 1141 T HA 0.280 4.615 4.350 -0.025 0.000 0.252 1141 T C 1.043 175.785 174.700 0.070 0.000 1.053 1141 T CA -0.271 61.852 62.100 0.038 0.000 0.964 1141 T CB -0.548 68.362 68.868 0.069 0.000 1.005 1141 T HN -0.031 nan 8.240 nan 0.000 0.532 1142 G N 0.817 109.647 108.800 0.050 0.000 2.636 1142 G HA2 0.544 4.489 3.960 -0.025 0.000 0.246 1142 G HA3 0.544 4.489 3.960 -0.025 0.000 0.246 1142 G C -0.374 174.548 174.900 0.037 0.000 1.216 1142 G CA -0.180 44.970 45.100 0.084 0.000 0.854 1142 G HN 0.847 nan 8.290 nan 0.000 0.572 1143 A N 0.847 123.585 122.820 -0.136 0.000 2.549 1143 A HA 0.613 4.918 4.320 -0.025 0.000 0.297 1143 A C -1.028 176.437 177.584 -0.198 0.000 1.061 1143 A CA -0.754 51.220 52.037 -0.106 0.000 0.690 1143 A CB 1.618 20.547 19.000 -0.117 0.000 1.287 1143 A HN 0.546 nan 8.150 nan 0.000 0.402 1144 D N 0.964 121.358 120.400 -0.010 0.000 2.255 1144 D HA 0.503 5.128 4.640 -0.025 0.000 0.249 1144 D C -0.285 175.982 176.300 -0.056 0.000 1.078 1144 D CA 0.460 54.477 54.000 0.029 0.000 0.896 1144 D CB 1.216 42.062 40.800 0.077 0.000 1.194 1144 D HN 0.425 nan 8.370 nan 0.000 0.429 1145 I N 1.151 121.682 120.570 -0.065 0.000 2.377 1145 I HA 0.066 4.221 4.170 -0.025 0.000 0.293 1145 I C 0.401 176.461 176.117 -0.094 0.000 0.987 1145 I CA -0.759 60.456 61.300 -0.141 0.000 1.185 1145 I CB 1.469 39.347 38.000 -0.204 0.000 1.341 1145 I HN 0.088 nan 8.210 nan 0.000 0.455 1146 D N 4.904 125.244 120.400 -0.101 0.000 2.508 1146 D HA 0.059 4.684 4.640 -0.025 0.000 0.224 1146 D C 1.082 177.344 176.300 -0.063 0.000 1.171 1146 D CA 0.110 54.072 54.000 -0.064 0.000 1.006 1146 D CB 0.646 41.418 40.800 -0.047 0.000 1.073 1146 D HN 0.519 nan 8.370 nan 0.000 0.513 1147 T N 1.761 116.285 114.554 -0.050 0.000 2.746 1147 T HA -0.155 4.180 4.350 -0.025 0.000 0.267 1147 T C 1.111 175.822 174.700 0.018 0.000 1.039 1147 T CA 0.994 63.078 62.100 -0.027 0.000 1.142 1147 T CB 0.058 68.914 68.868 -0.020 0.000 0.866 1147 T HN 0.357 nan 8.240 nan 0.000 0.444 1148 D N 1.473 121.877 120.400 0.007 0.000 2.092 1148 D HA -0.056 4.569 4.640 -0.025 0.000 0.193 1148 D C 2.371 178.670 176.300 -0.003 0.000 0.994 1148 D CA 1.430 55.444 54.000 0.023 0.000 0.828 1148 D CB -0.595 40.197 40.800 -0.015 0.000 0.963 1148 D HN 0.416 nan 8.370 nan 0.000 0.450 1149 A N 0.440 123.241 122.820 -0.033 0.000 1.902 1149 A HA -0.122 4.183 4.320 -0.025 0.000 0.217 1149 A C 2.155 179.672 177.584 -0.110 0.000 1.181 1149 A CA 1.082 53.076 52.037 -0.072 0.000 0.623 1149 A CB -0.702 18.274 19.000 -0.040 0.000 0.818 1149 A HN 0.249 nan 8.150 nan 0.000 0.443 1150 L N -0.713 120.477 121.223 -0.054 0.000 2.017 1150 L HA -0.174 4.151 4.340 -0.025 0.000 0.208 1150 L C 2.360 179.149 176.870 -0.135 0.000 1.073 1150 L CA 2.763 57.562 54.840 -0.069 0.000 0.745 1150 L CB -0.927 41.095 42.059 -0.061 0.000 0.894 1150 L HN 0.638 nan 8.230 nan 0.000 0.432 1151 H N -1.443 117.584 119.070 -0.071 0.000 2.290 1151 H HA -0.171 4.368 4.556 -0.028 0.000 0.298 1151 H C 1.991 177.315 175.328 -0.007 0.000 1.087 1151 H CA 1.507 57.592 56.048 0.062 0.000 1.291 1151 H CB 0.340 30.143 29.762 0.069 0.000 1.369 1151 H HN 0.408 nan 8.280 nan 0.000 0.492 1152 Q N -0.053 119.679 119.800 -0.113 0.000 2.170 1152 Q HA -0.078 4.247 4.340 -0.025 0.000 0.203 1152 Q C 2.540 178.359 176.000 -0.302 0.000 0.976 1152 Q CA 1.059 56.726 55.803 -0.227 0.000 0.858 1152 Q CB -0.640 27.983 28.738 -0.191 0.000 0.907 1152 Q HN 0.625 nan 8.270 nan 0.000 0.433 1153 G N -0.284 108.213 108.800 -0.504 0.000 2.418 1153 G HA2 -0.256 3.689 3.960 -0.025 0.000 0.217 1153 G HA3 -0.256 3.689 3.960 -0.025 0.000 0.217 1153 G C 1.063 175.534 174.900 -0.715 0.000 1.158 1153 G CA 0.589 45.025 45.100 -1.106 0.000 0.771 1153 G HN 0.269 nan 8.290 nan 0.000 0.545 1154 Y N 0.731 120.899 120.300 -0.221 0.000 2.145 1154 Y HA 0.004 4.541 4.550 -0.022 0.000 0.286 1154 Y C 2.832 178.752 175.900 0.032 0.000 1.145 1154 Y CA 0.587 58.643 58.100 -0.073 0.000 1.148 1154 Y CB -0.774 37.734 38.460 0.079 0.000 0.981 1154 Y HN 0.074 nan 8.280 nan 0.000 0.507 1155 L N -0.520 120.778 121.223 0.124 0.000 2.046 1155 L HA -0.221 4.104 4.340 -0.025 0.000 0.208 1155 L C 2.644 179.525 176.870 0.018 0.000 1.077 1155 L CA 1.591 56.458 54.840 0.043 0.000 0.747 1155 L CB -0.516 41.495 42.059 -0.081 0.000 0.896 1155 L HN 0.109 nan 8.230 nan 0.000 0.432 1156 R N 0.404 120.875 120.500 -0.049 0.000 2.096 1156 R HA -0.141 4.184 4.340 -0.025 0.000 0.235 1156 R C 2.246 178.563 176.300 0.029 0.000 1.127 1156 R CA 1.507 57.575 56.100 -0.053 0.000 0.968 1156 R CB -0.480 29.736 30.300 -0.139 0.000 0.861 1156 R HN 0.361 nan 8.270 nan 0.000 0.440 1157 G N 0.999 109.883 108.800 0.140 0.000 2.422 1157 G HA2 -0.216 3.729 3.960 -0.025 0.000 0.218 1157 G HA3 -0.216 3.729 3.960 -0.025 0.000 0.218 1157 G C 1.464 176.463 174.900 0.165 0.000 1.146 1157 G CA 0.865 46.140 45.100 0.291 0.000 0.769 1157 G HN 0.286 nan 8.290 nan 0.000 0.547 1158 I N 0.202 120.880 120.570 0.179 0.000 2.163 1158 I HA -0.193 3.962 4.170 -0.025 0.000 0.243 1158 I C 3.052 179.190 176.117 0.036 0.000 1.085 1158 I CA 1.126 62.475 61.300 0.082 0.000 1.347 1158 I CB -0.207 37.845 38.000 0.086 0.000 1.044 1158 I HN 0.104 nan 8.210 nan 0.000 0.408 1159 R N 0.544 121.061 120.500 0.027 0.000 2.092 1159 R HA -0.101 4.224 4.340 -0.025 0.000 0.231 1159 R C 2.345 178.645 176.300 0.000 0.000 1.119 1159 R CA 1.047 57.150 56.100 0.004 0.000 0.970 1159 R CB -0.317 29.977 30.300 -0.010 0.000 0.864 1159 R HN 0.384 nan 8.270 nan 0.000 0.440 1160 R N 0.361 120.864 120.500 0.005 0.000 2.237 1160 R HA -0.006 4.319 4.340 -0.025 0.000 0.219 1160 R C 0.774 177.066 176.300 -0.013 0.000 1.080 1160 R CA 0.636 56.734 56.100 -0.003 0.000 0.995 1160 R CB -0.054 30.249 30.300 0.006 0.000 0.875 1160 R HN 0.147 nan 8.270 nan 0.000 0.462 1161 N N 0.925 119.614 118.700 -0.018 0.000 2.327 1161 N HA -0.003 4.722 4.740 -0.025 0.000 0.231 1161 N C -0.332 175.170 175.510 -0.014 0.000 1.130 1161 N CA 0.167 53.197 53.050 -0.033 0.000 0.845 1161 N CB 0.821 39.267 38.487 -0.067 0.000 1.073 1161 N HN 0.048 nan 8.380 nan 0.000 0.496 1162 Q N -2.094 117.702 119.800 -0.006 0.000 2.460 1162 Q HA -0.133 4.192 4.340 -0.025 0.000 0.248 1162 Q C 0.564 176.569 176.000 0.009 0.000 0.847 1162 Q CA 1.051 56.854 55.803 -0.001 0.000 1.214 1162 Q CB -2.262 26.476 28.738 -0.001 0.000 1.523 1162 Q HN 0.475 nan 8.270 nan 0.000 0.602 1163 G N 0.191 108.999 108.800 0.013 0.000 2.599 1163 G HA2 0.403 4.348 3.960 -0.025 0.000 0.264 1163 G HA3 0.403 4.348 3.960 -0.025 0.000 0.264 1163 G C -0.131 174.773 174.900 0.007 0.000 1.200 1163 G CA -0.380 44.734 45.100 0.023 0.000 0.896 1163 G HN 0.088 nan 8.290 nan 0.000 0.536 1164 Q N -1.027 118.772 119.800 -0.001 0.000 2.337 1164 Q HA 0.493 4.818 4.340 -0.025 0.000 0.266 1164 Q C -1.204 174.764 176.000 -0.054 0.000 1.023 1164 Q CA -0.733 55.051 55.803 -0.031 0.000 0.829 1164 Q CB 2.899 31.614 28.738 -0.038 0.000 1.306 1164 Q HN 0.250 nan 8.270 nan 0.000 0.449 1165 V N 4.175 124.049 119.914 -0.067 0.000 2.349 1165 V HA 0.348 4.453 4.120 -0.025 0.000 0.284 1165 V C -0.588 175.436 176.094 -0.117 0.000 1.014 1165 V CA -0.483 61.772 62.300 -0.077 0.000 0.826 1165 V CB 0.969 32.765 31.823 -0.044 0.000 1.009 1165 V HN 0.605 nan 8.190 nan 0.000 0.431 1166 L N 4.570 125.677 121.223 -0.193 0.000 2.295 1166 L HA 0.482 4.807 4.340 -0.025 0.000 0.281 1166 L C -0.007 176.777 176.870 -0.142 0.000 1.018 1166 L CA -0.167 54.485 54.840 -0.313 0.000 0.841 1166 L CB 1.231 42.824 42.059 -0.777 0.000 1.218 1166 L HN 0.575 nan 8.230 nan 0.000 0.424 1167 C N 1.544 120.834 119.300 -0.015 0.000 2.480 1167 C HA 0.161 4.606 4.460 -0.025 0.000 0.358 1167 C C 1.298 176.404 174.990 0.193 0.000 1.309 1167 C CA -0.356 58.698 59.018 0.060 0.000 2.465 1167 C CB 0.316 28.070 27.740 0.023 0.000 2.379 1167 C HN 1.040 nan 8.230 nan 0.000 0.642 1168 N N -0.329 118.437 118.700 0.110 0.000 2.735 1168 N HA -0.195 4.530 4.740 -0.025 0.000 0.248 1168 N C -0.953 174.588 175.510 0.052 0.000 1.083 1168 N CA 0.557 53.648 53.050 0.069 0.000 0.703 1168 N CB -1.386 37.129 38.487 0.046 0.000 1.005 1168 N HN 0.783 nan 8.380 nan 0.000 0.550 1169 H N -0.217 118.838 119.070 -0.025 0.000 2.439 1169 H HA 0.218 4.758 4.556 -0.026 0.000 0.230 1169 H C -0.372 174.929 175.328 -0.045 0.000 1.420 1169 H CA -0.627 55.407 56.048 -0.023 0.000 1.305 1169 H CB 0.252 29.975 29.762 -0.064 0.000 1.667 1169 H HN 0.281 nan 8.280 nan 0.000 0.515 1170 E N 1.388 121.590 120.200 0.004 0.000 2.465 1170 E HA 0.236 4.571 4.350 -0.025 0.000 0.260 1170 E C -0.100 176.501 176.600 0.001 0.000 0.980 1170 E CA -0.357 56.030 56.400 -0.022 0.000 0.927 1170 E CB 0.595 30.267 29.700 -0.048 0.000 0.934 1170 E HN 0.559 nan 8.360 nan 0.000 0.459 1171 A N 5.607 128.426 122.820 -0.002 0.000 2.444 1171 A HA 0.161 4.466 4.320 -0.025 0.000 0.273 1171 A C 0.652 178.250 177.584 0.024 0.000 1.136 1171 A CA -0.169 51.882 52.037 0.023 0.000 0.799 1171 A CB 0.141 19.148 19.000 0.013 0.000 1.081 1171 A HN 0.825 nan 8.150 nan 0.000 0.509 1172 L N 1.216 122.461 121.223 0.037 0.000 2.357 1172 L HA 0.212 4.537 4.340 -0.025 0.000 0.211 1172 L C 0.641 177.541 176.870 0.050 0.000 1.075 1172 L CA 0.732 55.593 54.840 0.035 0.000 0.830 1172 L CB 0.010 42.085 42.059 0.026 0.000 0.996 1172 L HN 0.707 nan 8.230 nan 0.000 0.467 1173 E N -0.032 120.206 120.200 0.062 0.000 2.383 1173 E HA 0.618 4.953 4.350 -0.025 0.000 0.275 1173 E C -1.207 175.456 176.600 0.104 0.000 0.918 1173 E CA -0.519 55.927 56.400 0.076 0.000 0.764 1173 E CB 3.173 32.912 29.700 0.065 0.000 1.252 1173 E HN -0.038 nan 8.360 nan 0.000 0.449 1174 I N 1.658 122.308 120.570 0.134 0.000 2.571 1174 I HA 0.487 4.642 4.170 -0.025 0.000 0.289 1174 I C -0.735 175.556 176.117 0.290 0.000 1.115 1174 I CA -0.617 60.808 61.300 0.208 0.000 1.045 1174 I CB 2.123 40.220 38.000 0.162 0.000 1.238 1174 I HN 0.304 nan 8.210 nan 0.000 0.424 1175 R N 3.764 124.473 120.500 0.349 0.000 2.626 1175 R HA 0.551 4.876 4.340 -0.025 0.000 0.274 1175 R C -1.188 175.213 176.300 0.168 0.000 1.031 1175 R CA -0.969 55.287 56.100 0.260 0.000 0.898 1175 R CB 2.313 32.686 30.300 0.122 0.000 1.222 1175 R HN 0.534 nan 8.270 nan 0.000 0.455 1176 R N 2.659 123.078 120.500 -0.135 0.000 2.210 1176 R HA 0.378 4.703 4.340 -0.025 0.000 0.338 1176 R C -1.574 174.586 176.300 -0.233 0.000 1.062 1176 R CA -0.105 55.685 56.100 -0.518 0.000 0.902 1176 R CB 0.959 30.723 30.300 -0.893 0.000 1.050 1176 R HN 0.292 nan 8.270 nan 0.000 0.461 1177 V N 4.849 124.665 119.914 -0.164 0.000 2.569 1177 V HA 0.223 4.328 4.120 -0.025 0.000 0.301 1177 V C -0.733 175.310 176.094 -0.085 0.000 1.044 1177 V CA -0.973 61.274 62.300 -0.087 0.000 0.874 1177 V CB 1.871 33.674 31.823 -0.034 0.000 1.002 1177 V HN 0.899 nan 8.190 nan 0.000 0.424 1178 D N 4.217 124.571 120.400 -0.077 0.000 2.697 1178 D HA -0.185 4.440 4.640 -0.025 0.000 0.235 1178 D C 1.322 177.578 176.300 -0.073 0.000 1.167 1178 D CA 1.856 55.818 54.000 -0.063 0.000 0.656 1178 D CB -0.900 39.876 40.800 -0.039 0.000 1.025 1178 D HN 1.528 nan 8.370 nan 0.000 0.419 1179 G N -1.608 107.127 108.800 -0.109 0.000 2.148 1179 G HA2 -0.009 3.936 3.960 -0.025 0.000 0.254 1179 G HA3 -0.009 3.936 3.960 -0.025 0.000 0.254 1179 G C 0.328 175.163 174.900 -0.108 0.000 0.981 1179 G CA 0.669 45.706 45.100 -0.106 0.000 0.670 1179 G HN 1.332 nan 8.290 nan 0.000 0.528 1180 A N -1.322 121.419 122.820 -0.131 0.000 2.556 1180 A HA 0.716 5.021 4.320 -0.025 0.000 0.294 1180 A C -0.646 176.856 177.584 -0.135 0.000 1.091 1180 A CA -0.771 51.223 52.037 -0.072 0.000 0.704 1180 A CB 0.877 19.887 19.000 0.017 0.000 1.300 1180 A HN 0.699 nan 8.150 nan 0.000 0.406 1181 W N 0.879 122.225 121.300 0.078 0.000 2.304 1181 W HA 0.487 5.133 4.660 -0.024 0.000 0.313 1181 W C 0.658 177.226 176.519 0.081 0.000 1.323 1181 W CA 0.488 57.887 57.345 0.091 0.000 1.223 1181 W CB 0.746 30.274 29.460 0.114 0.000 1.237 1181 W HN 0.738 nan 8.180 nan 0.000 0.535 1182 E N 2.866 123.264 120.200 0.330 0.000 2.191 1182 E HA 0.438 4.773 4.350 -0.025 0.000 0.263 1182 E C -1.536 175.201 176.600 0.228 0.000 0.881 1182 E CA -0.580 55.949 56.400 0.216 0.000 0.757 1182 E CB 1.327 31.097 29.700 0.116 0.000 1.147 1182 E HN 0.205 nan 8.360 nan 0.000 0.414 1183 V N 5.227 125.275 119.914 0.223 0.000 2.398 1183 V HA 0.382 4.487 4.120 -0.025 0.000 0.286 1183 V C 0.105 176.314 176.094 0.191 0.000 1.026 1183 V CA -0.680 61.739 62.300 0.199 0.000 0.868 1183 V CB 1.439 33.374 31.823 0.187 0.000 0.982 1183 V HN 0.633 nan 8.190 nan 0.000 0.443 1184 R N 3.517 124.090 120.500 0.121 0.000 2.221 1184 R HA 0.530 4.855 4.340 -0.025 0.000 0.327 1184 R C -0.744 175.612 176.300 0.094 0.000 1.033 1184 R CA -0.284 55.860 56.100 0.073 0.000 0.887 1184 R CB 0.641 30.950 30.300 0.015 0.000 1.057 1184 R HN 0.822 nan 8.270 nan 0.000 0.455 1185 C N 2.163 121.542 119.300 0.130 0.000 2.354 1185 C HA 0.190 4.635 4.460 -0.025 0.000 0.381 1185 C C 1.446 176.434 174.990 -0.002 0.000 1.240 1185 C CA -0.612 58.457 59.018 0.086 0.000 2.089 1185 C CB 1.363 29.215 27.740 0.186 0.000 2.234 1185 C HN 0.924 nan 8.230 nan 0.000 0.544 1186 D N 0.347 120.713 120.400 -0.055 0.000 2.310 1186 D HA -0.017 4.608 4.640 -0.025 0.000 0.212 1186 D C 1.228 177.491 176.300 -0.061 0.000 0.965 1186 D CA 1.369 55.334 54.000 -0.058 0.000 0.879 1186 D CB -0.125 40.635 40.800 -0.067 0.000 0.921 1186 D HN 0.552 nan 8.370 nan 0.000 0.510 1187 A N -0.821 121.954 122.820 -0.075 0.000 2.324 1187 A HA 0.675 4.980 4.320 -0.025 0.000 0.220 1187 A C 1.045 178.467 177.584 -0.271 0.000 1.209 1187 A CA 0.346 52.356 52.037 -0.045 0.000 0.918 1187 A CB 0.567 19.607 19.000 0.066 0.000 0.959 1187 A HN 0.482 nan 8.150 nan 0.000 0.507 1188 G N -1.742 106.788 108.800 -0.450 0.000 2.322 1188 G HA2 0.459 4.404 3.960 -0.025 0.000 0.295 1188 G HA3 0.459 4.404 3.960 -0.025 0.000 0.295 1188 G C -1.129 173.490 174.900 -0.468 0.000 1.369 1188 G CA 0.010 44.461 45.100 -1.082 0.000 0.821 1188 G HN 0.267 nan 8.290 nan 0.000 0.536 1189 S N -1.145 114.298 115.700 -0.429 0.000 2.664 1189 S HA 0.853 5.308 4.470 -0.025 0.000 0.304 1189 S C -1.537 172.866 174.600 -0.328 0.000 1.099 1189 S CA -0.393 57.711 58.200 -0.161 0.000 1.003 1189 S CB 1.412 64.538 63.200 -0.124 0.000 1.092 1189 S HN 0.465 nan 8.310 nan 0.000 0.525 1190 Y N 0.378 120.750 120.300 0.119 0.000 2.477 1190 Y HA 0.591 5.126 4.550 -0.024 0.000 0.347 1190 Y C 0.180 176.142 175.900 0.104 0.000 0.981 1190 Y CA -0.888 57.288 58.100 0.126 0.000 1.033 1190 Y CB 1.688 40.222 38.460 0.124 0.000 1.245 1190 Y HN 0.404 nan 8.280 nan 0.000 0.455 1191 R N 1.799 122.420 120.500 0.201 0.000 2.628 1191 R HA 0.941 5.266 4.340 -0.025 0.000 0.288 1191 R C -1.401 174.983 176.300 0.140 0.000 0.980 1191 R CA -1.047 55.146 56.100 0.155 0.000 0.891 1191 R CB 2.292 32.644 30.300 0.086 0.000 1.188 1191 R HN 0.756 nan 8.270 nan 0.000 0.450 1192 A N 0.736 123.652 122.820 0.160 0.000 2.612 1192 A HA 0.631 4.936 4.320 -0.025 0.000 0.293 1192 A C -0.063 177.624 177.584 0.171 0.000 1.075 1192 A CA -0.217 51.892 52.037 0.120 0.000 0.680 1192 A CB 1.259 20.319 19.000 0.099 0.000 1.279 1192 A HN 0.730 nan 8.150 nan 0.000 0.411 1193 A N 0.002 122.895 122.820 0.121 0.000 2.019 1193 A HA 0.371 4.676 4.320 -0.025 0.000 0.219 1193 A C 0.713 178.495 177.584 0.331 0.000 1.164 1193 A CA 1.862 53.999 52.037 0.167 0.000 0.644 1193 A CB -0.320 18.744 19.000 0.108 0.000 0.805 1193 A HN 1.270 nan 8.150 nan 0.000 0.449 1194 V N 1.091 121.195 119.914 0.317 0.000 2.495 1194 V HA 0.382 4.487 4.120 -0.025 0.000 0.298 1194 V C -0.600 175.633 176.094 0.233 0.000 1.031 1194 V CA -0.690 61.830 62.300 0.367 0.000 0.871 1194 V CB 1.761 33.808 31.823 0.372 0.000 0.988 1194 V HN 0.375 nan 8.190 nan 0.000 0.432 1195 L N 6.730 127.985 121.223 0.055 0.000 2.280 1195 L HA 0.583 4.908 4.340 -0.025 0.000 0.287 1195 L C -0.610 176.022 176.870 -0.397 0.000 1.023 1195 L CA -0.126 54.550 54.840 -0.273 0.000 0.819 1195 L CB 1.594 43.224 42.059 -0.714 0.000 1.212 1195 L HN 0.466 nan 8.230 nan 0.000 0.420 1196 V N 5.577 125.329 119.914 -0.271 0.000 2.348 1196 V HA 0.256 4.361 4.120 -0.025 0.000 0.270 1196 V C 0.365 176.268 176.094 -0.318 0.000 1.037 1196 V CA -0.709 61.440 62.300 -0.252 0.000 0.872 1196 V CB 1.086 32.816 31.823 -0.155 0.000 1.002 1196 V HN 0.734 nan 8.190 nan 0.000 0.464 1197 N N 4.511 122.930 118.700 -0.468 0.000 2.521 1197 N HA 0.413 5.138 4.740 -0.025 0.000 0.236 1197 N C 0.172 175.612 175.510 -0.117 0.000 1.067 1197 N CA -0.123 52.685 53.050 -0.403 0.000 0.939 1197 N CB 1.373 39.416 38.487 -0.739 0.000 1.201 1197 N HN 0.758 nan 8.380 nan 0.000 0.511 1198 A N 2.644 125.432 122.820 -0.053 0.000 2.749 1198 A HA 0.527 4.832 4.320 -0.025 0.000 0.299 1198 A C 0.842 178.463 177.584 0.063 0.000 1.105 1198 A CA -0.324 51.726 52.037 0.023 0.000 0.987 1198 A CB -0.191 18.814 19.000 0.009 0.000 1.180 1198 A HN 0.576 nan 8.150 nan 0.000 0.528 1199 A N -0.444 122.433 122.820 0.094 0.000 2.359 1199 A HA 0.506 4.811 4.320 -0.025 0.000 0.240 1199 A C 1.557 179.310 177.584 0.281 0.000 1.306 1199 A CA 0.936 53.068 52.037 0.159 0.000 0.898 1199 A CB -1.064 18.029 19.000 0.156 0.000 0.956 1199 A HN 2.057 nan 8.150 nan 0.000 0.497 1200 G N -0.215 108.706 108.800 0.202 0.000 2.583 1200 G HA2 -0.110 3.835 3.960 -0.025 0.000 0.292 1200 G HA3 -0.110 3.835 3.960 -0.025 0.000 0.292 1200 G C 1.391 176.365 174.900 0.124 0.000 1.203 1200 G CA 0.814 46.024 45.100 0.183 0.000 0.987 1200 G HN 1.502 nan 8.290 nan 0.000 0.554 1201 A N -1.145 121.671 122.820 -0.007 0.000 2.125 1201 A HA 0.068 4.373 4.320 -0.025 0.000 0.219 1201 A C 1.839 179.225 177.584 -0.329 0.000 1.156 1201 A CA 2.014 53.861 52.037 -0.318 0.000 0.671 1201 A CB -0.453 18.113 19.000 -0.723 0.000 0.794 1201 A HN 0.711 nan 8.150 nan 0.000 0.459 1202 W N -1.598 119.708 121.300 0.011 0.000 3.353 1202 W HA 0.094 4.738 4.660 -0.026 0.000 0.304 1202 W C 1.338 177.903 176.519 0.077 0.000 1.273 1202 W CA -0.622 56.743 57.345 0.033 0.000 1.773 1202 W CB -0.572 28.889 29.460 0.002 0.000 1.095 1202 W HN 0.332 nan 8.180 nan 0.000 0.676 1203 C N 0.312 119.772 119.300 0.267 0.000 2.413 1203 C HA -0.199 4.246 4.460 -0.025 0.000 0.277 1203 C C 2.153 177.372 174.990 0.382 0.000 1.265 1203 C CA 1.212 60.418 59.018 0.313 0.000 1.752 1203 C CB -0.960 27.018 27.740 0.396 0.000 1.998 1203 C HN 0.254 nan 8.230 nan 0.000 0.489 1204 D N 0.604 121.197 120.400 0.321 0.000 2.224 1204 D HA -0.014 4.611 4.640 -0.025 0.000 0.205 1204 D C 2.238 178.670 176.300 0.219 0.000 0.965 1204 D CA 1.309 55.494 54.000 0.308 0.000 0.852 1204 D CB -0.392 40.519 40.800 0.185 0.000 0.947 1204 D HN 0.487 nan 8.370 nan 0.000 0.494 1205 A N 0.947 123.888 122.820 0.201 0.000 1.902 1205 A HA -0.151 4.154 4.320 -0.025 0.000 0.217 1205 A C 2.089 179.772 177.584 0.165 0.000 1.181 1205 A CA 0.815 52.966 52.037 0.190 0.000 0.623 1205 A CB -0.426 18.736 19.000 0.270 0.000 0.818 1205 A HN 0.115 nan 8.150 nan 0.000 0.443 1206 I N 0.068 120.742 120.570 0.174 0.000 2.226 1206 I HA -0.228 3.927 4.170 -0.025 0.000 0.245 1206 I C 2.953 179.137 176.117 0.110 0.000 1.100 1206 I CA 1.348 62.720 61.300 0.120 0.000 1.374 1206 I CB -1.669 36.379 38.000 0.080 0.000 1.057 1206 I HN 0.362 nan 8.210 nan 0.000 0.413 1207 A N 0.997 123.887 122.820 0.116 0.000 1.940 1207 A HA -0.154 4.151 4.320 -0.025 0.000 0.219 1207 A C 2.516 180.081 177.584 -0.033 0.000 1.176 1207 A CA 1.997 53.998 52.037 -0.060 0.000 0.631 1207 A CB -1.367 17.669 19.000 0.060 0.000 0.814 1207 A HN 0.441 nan 8.150 nan 0.000 0.446 1208 G N -0.237 108.598 108.800 0.058 0.000 2.418 1208 G HA2 -0.168 3.777 3.960 -0.025 0.000 0.217 1208 G HA3 -0.168 3.777 3.960 -0.025 0.000 0.217 1208 G C 1.523 176.454 174.900 0.052 0.000 1.158 1208 G CA 1.009 46.143 45.100 0.057 0.000 0.771 1208 G HN 0.454 nan 8.290 nan 0.000 0.545 1209 L N 0.446 121.707 121.223 0.063 0.000 2.083 1209 L HA -0.039 4.286 4.340 -0.025 0.000 0.209 1209 L C 3.166 180.085 176.870 0.080 0.000 1.083 1209 L CA 1.066 55.950 54.840 0.072 0.000 0.752 1209 L CB -0.266 41.840 42.059 0.078 0.000 0.899 1209 L HN 0.329 nan 8.230 nan 0.000 0.433 1210 A N -0.723 122.123 122.820 0.044 0.000 2.218 1210 A HA 0.300 4.605 4.320 -0.025 0.000 0.209 1210 A C 1.695 179.330 177.584 0.085 0.000 1.168 1210 A CA 0.690 52.771 52.037 0.074 0.000 0.804 1210 A CB -0.210 18.683 19.000 -0.178 0.000 0.834 1210 A HN 0.497 nan 8.150 nan 0.000 0.482 1211 G N -1.138 107.674 108.800 0.020 0.000 2.160 1211 G HA2 -0.165 3.780 3.960 -0.025 0.000 0.244 1211 G HA3 -0.165 3.780 3.960 -0.025 0.000 0.244 1211 G C 0.017 174.899 174.900 -0.029 0.000 1.022 1211 G CA 0.233 45.347 45.100 0.023 0.000 0.741 1211 G HN 0.804 nan 8.290 nan 0.000 0.508 1212 V N 0.523 120.344 119.914 -0.155 0.000 2.483 1212 V HA 0.488 4.593 4.120 -0.025 0.000 0.295 1212 V C 1.158 177.214 176.094 -0.064 0.000 1.035 1212 V CA -0.945 61.212 62.300 -0.238 0.000 0.896 1212 V CB 1.683 33.020 31.823 -0.810 0.000 0.986 1212 V HN 0.500 nan 8.190 nan 0.000 0.447 1213 R N 6.238 126.753 120.500 0.026 0.000 2.522 1213 R HA 0.179 4.504 4.340 -0.025 0.000 0.284 1213 R C -2.183 174.226 176.300 0.181 0.000 1.032 1213 R CA -0.860 55.288 56.100 0.080 0.000 1.049 1213 R CB 0.656 30.993 30.300 0.062 0.000 0.956 1213 R HN 0.516 nan 8.270 nan 0.000 0.422 1214 P HA 0.042 nan 4.420 nan 0.000 0.276 1214 P C 0.220 177.502 177.300 -0.030 0.000 1.261 1214 P CA -0.240 62.983 63.100 0.205 0.000 0.800 1214 P CB 0.710 32.504 31.700 0.157 0.000 1.066 1215 L N -1.048 120.031 121.223 -0.239 0.000 2.446 1215 L HA 0.189 4.515 4.340 -0.025 0.000 0.219 1215 L C 1.413 178.177 176.870 -0.177 0.000 1.116 1215 L CA 0.901 55.524 54.840 -0.362 0.000 0.844 1215 L CB -0.834 40.839 42.059 -0.643 0.000 0.970 1215 L HN 0.752 nan 8.230 nan 0.000 0.457 1216 G N 1.465 110.210 108.800 -0.091 0.000 2.204 1216 G HA2 -0.260 3.685 3.960 -0.025 0.000 0.244 1216 G HA3 -0.260 3.685 3.960 -0.025 0.000 0.244 1216 G C -0.210 174.665 174.900 -0.042 0.000 1.062 1216 G CA -0.217 44.853 45.100 -0.051 0.000 0.798 1216 G HN 0.150 nan 8.290 nan 0.000 0.496 1217 L N 0.164 121.362 121.223 -0.040 0.000 2.455 1217 L HA 0.624 4.949 4.340 -0.025 0.000 0.272 1217 L C 0.349 177.218 176.870 -0.002 0.000 1.174 1217 L CA 0.005 54.832 54.840 -0.020 0.000 0.869 1217 L CB 1.260 43.312 42.059 -0.013 0.000 1.130 1217 L HN 0.347 nan 8.230 nan 0.000 0.474 1218 Q N 6.861 126.680 119.800 0.032 0.000 2.381 1218 Q HA 0.520 4.845 4.340 -0.025 0.000 0.263 1218 Q C -2.590 173.448 176.000 0.062 0.000 1.030 1218 Q CA -2.188 53.640 55.803 0.041 0.000 0.772 1218 Q CB 1.602 30.375 28.738 0.059 0.000 1.232 1218 Q HN 0.362 nan 8.270 nan 0.000 0.476 1219 P HA 0.175 nan 4.420 nan 0.000 0.271 1219 P C -1.256 176.072 177.300 0.046 0.000 1.216 1219 P CA -0.101 62.985 63.100 -0.024 0.000 0.776 1219 P CB 0.696 32.316 31.700 -0.132 0.000 0.881 1220 K N 2.103 122.556 120.400 0.088 0.000 2.507 1220 K HA 0.366 4.671 4.320 -0.025 0.000 0.251 1220 K C -0.388 176.263 176.600 0.085 0.000 0.943 1220 K CA -0.863 55.488 56.287 0.107 0.000 0.794 1220 K CB 2.646 35.251 32.500 0.176 0.000 1.188 1220 K HN 0.333 nan 8.250 nan 0.000 0.428 1221 R N 2.687 123.227 120.500 0.066 0.000 2.442 1221 R HA 0.164 4.489 4.340 -0.025 0.000 0.291 1221 R C -0.583 175.756 176.300 0.065 0.000 1.069 1221 R CA -0.004 56.132 56.100 0.059 0.000 1.022 1221 R CB 0.673 31.011 30.300 0.063 0.000 0.976 1221 R HN 0.564 nan 8.270 nan 0.000 0.443 1222 R N 2.477 123.016 120.500 0.065 0.000 2.513 1222 R HA 0.293 4.618 4.340 -0.025 0.000 0.301 1222 R C -1.291 175.011 176.300 0.003 0.000 0.968 1222 R CA -0.454 55.678 56.100 0.052 0.000 0.872 1222 R CB 1.825 32.182 30.300 0.096 0.000 1.177 1222 R HN 0.644 nan 8.270 nan 0.000 0.444 1223 S N 1.553 117.222 115.700 -0.052 0.000 2.651 1223 S HA 0.886 5.341 4.470 -0.025 0.000 0.291 1223 S C -0.963 173.459 174.600 -0.297 0.000 1.141 1223 S CA -0.466 57.645 58.200 -0.148 0.000 1.027 1223 S CB 1.842 65.001 63.200 -0.069 0.000 1.043 1223 S HN 0.757 nan 8.310 nan 0.000 0.530 1224 A N 1.276 123.736 122.820 -0.600 0.000 2.602 1224 A HA 0.931 5.236 4.320 -0.025 0.000 0.290 1224 A C -1.599 175.508 177.584 -0.796 0.000 1.114 1224 A CA -0.865 50.690 52.037 -0.805 0.000 0.683 1224 A CB 1.047 19.472 19.000 -0.958 0.000 1.281 1224 A HN 0.944 nan 8.150 nan 0.000 0.416 1225 F N -1.057 118.563 119.950 -0.549 0.000 2.668 1225 F HA 0.819 5.331 4.527 -0.026 0.000 0.309 1225 F C -1.387 174.457 175.800 0.072 0.000 1.117 1225 F CA -1.224 56.651 58.000 -0.209 0.000 0.951 1225 F CB 1.152 40.106 39.000 -0.076 0.000 1.323 1225 F HN 0.357 nan 8.300 nan 0.000 0.451 1226 I N 3.224 124.051 120.570 0.428 0.000 2.433 1226 I HA 0.560 4.715 4.170 -0.025 0.000 0.292 1226 I C -0.885 175.516 176.117 0.474 0.000 1.001 1226 I CA -0.707 60.822 61.300 0.382 0.000 1.119 1226 I CB 1.513 39.783 38.000 0.449 0.000 1.289 1226 I HN 0.813 nan 8.210 nan 0.000 0.438 1227 F N 3.474 123.548 119.950 0.205 0.000 2.643 1227 F HA 0.899 5.413 4.527 -0.023 0.000 0.314 1227 F C -0.450 175.404 175.800 0.090 0.000 1.096 1227 F CA -1.212 56.884 58.000 0.159 0.000 0.953 1227 F CB 1.252 40.376 39.000 0.207 0.000 1.345 1227 F HN 0.428 nan 8.300 nan 0.000 0.468 1228 A N 2.586 125.514 122.820 0.179 0.000 2.354 1228 A HA 0.699 5.004 4.320 -0.025 0.000 0.269 1228 A C -2.522 175.091 177.584 0.048 0.000 1.109 1228 A CA -1.587 50.467 52.037 0.028 0.000 0.800 1228 A CB -0.395 18.642 19.000 0.062 0.000 1.045 1228 A HN 0.606 nan 8.150 nan 0.000 0.489 1229 P HA 0.348 nan 4.420 nan 0.000 0.274 1229 P C -2.700 174.622 177.300 0.037 0.000 1.237 1229 P CA -1.303 61.780 63.100 -0.029 0.000 0.793 1229 P CB -0.354 31.241 31.700 -0.176 0.000 0.977 1230 P HA 0.245 nan 4.420 nan 0.000 0.269 1230 P C -2.351 174.967 177.300 0.031 0.000 1.215 1230 P CA -1.197 61.942 63.100 0.065 0.000 0.780 1230 P CB -1.368 30.381 31.700 0.082 0.000 0.898 1231 P HA 0.043 nan 4.420 nan 0.000 0.264 1231 P C 1.027 178.340 177.300 0.021 0.000 1.183 1231 P CA 1.356 64.466 63.100 0.016 0.000 0.763 1231 P CB -0.015 31.696 31.700 0.018 0.000 0.807 1232 G N 2.340 111.149 108.800 0.014 0.000 2.179 1232 G HA2 -0.211 3.734 3.960 -0.025 0.000 0.260 1232 G HA3 -0.211 3.734 3.960 -0.025 0.000 0.260 1232 G C 0.129 175.049 174.900 0.032 0.000 0.977 1232 G CA -0.439 44.675 45.100 0.023 0.000 0.641 1232 G HN 0.493 nan 8.290 nan 0.000 0.533 1233 I N 1.824 122.406 120.570 0.021 0.000 2.297 1233 I HA 0.295 4.450 4.170 -0.025 0.000 0.291 1233 I C -0.503 175.561 176.117 -0.089 0.000 1.033 1233 I CA -0.812 60.503 61.300 0.025 0.000 1.253 1233 I CB 1.245 39.286 38.000 0.068 0.000 1.396 1233 I HN 0.033 nan 8.210 nan 0.000 0.476 1234 D N 6.693 127.054 120.400 -0.066 0.000 2.456 1234 D HA 0.152 4.777 4.640 -0.025 0.000 0.219 1234 D C 0.854 176.946 176.300 -0.346 0.000 1.126 1234 D CA -0.377 53.541 54.000 -0.137 0.000 0.890 1234 D CB 0.690 41.487 40.800 -0.005 0.000 1.025 1234 D HN 0.633 nan 8.370 nan 0.000 0.511 1235 C N 1.730 120.595 119.300 -0.726 0.000 2.754 1235 C HA 0.321 4.766 4.460 -0.025 0.000 0.276 1235 C C 1.986 176.434 174.990 -0.904 0.000 1.264 1235 C CA -0.535 57.546 59.018 -1.561 0.000 1.700 1235 C CB -1.780 24.727 27.740 -2.056 0.000 1.885 1235 C HN 0.628 nan 8.230 nan 0.000 0.607 1236 H N 1.372 120.180 119.070 -0.436 0.000 2.353 1236 H HA -0.123 4.415 4.556 -0.029 0.000 0.298 1236 H C 1.123 176.373 175.328 -0.130 0.000 1.103 1236 H CA 2.295 58.205 56.048 -0.230 0.000 1.293 1236 H CB 0.172 29.851 29.762 -0.139 0.000 1.372 1236 H HN 0.454 nan 8.280 nan 0.000 0.501 1237 D N -1.148 119.279 120.400 0.044 0.000 2.363 1237 D HA -0.019 4.607 4.640 -0.025 0.000 0.214 1237 D C -0.213 176.246 176.300 0.265 0.000 1.093 1237 D CA -0.123 53.960 54.000 0.138 0.000 0.837 1237 D CB -0.053 40.828 40.800 0.136 0.000 0.948 1237 D HN 0.240 nan 8.370 nan 0.000 0.507 1238 W N 2.884 124.228 121.300 0.074 0.000 2.148 1238 W HA 0.169 4.816 4.660 -0.021 0.000 0.347 1238 W C -1.658 174.909 176.519 0.079 0.000 1.288 1238 W CA -2.236 55.154 57.345 0.075 0.000 1.252 1238 W CB -0.765 28.731 29.460 0.060 0.000 1.156 1238 W HN -0.064 nan 8.180 nan 0.000 0.580 1239 P HA 0.061 nan 4.420 nan 0.000 0.274 1239 P C -0.370 177.010 177.300 0.133 0.000 1.256 1239 P CA -0.492 62.727 63.100 0.199 0.000 0.795 1239 P CB 0.707 32.532 31.700 0.208 0.000 1.038 1240 M N 1.292 120.886 119.600 -0.010 0.000 2.246 1240 M HA 0.137 4.602 4.480 -0.025 0.000 0.350 1240 M C -0.718 175.539 176.300 -0.072 0.000 1.406 1240 M CA -0.308 54.917 55.300 -0.124 0.000 1.089 1240 M CB -0.275 32.017 32.600 -0.515 0.000 1.782 1240 M HN 0.159 nan 8.290 nan 0.000 0.457 1241 L N 7.588 128.816 121.223 0.008 0.000 2.280 1241 L HA 0.643 4.968 4.340 -0.025 0.000 0.287 1241 L C -1.508 175.341 176.870 -0.034 0.000 1.023 1241 L CA -0.313 54.544 54.840 0.028 0.000 0.819 1241 L CB 1.401 43.534 42.059 0.123 0.000 1.212 1241 L HN 0.548 nan 8.230 nan 0.000 0.420 1242 V N 3.413 123.270 119.914 -0.095 0.000 2.735 1242 V HA 0.523 4.628 4.120 -0.025 0.000 0.310 1242 V C 0.191 176.194 176.094 -0.151 0.000 1.061 1242 V CA -0.736 61.469 62.300 -0.158 0.000 0.913 1242 V CB 1.734 33.470 31.823 -0.145 0.000 1.005 1242 V HN 0.823 nan 8.190 nan 0.000 0.428 1243 S N 2.097 117.634 115.700 -0.271 0.000 2.576 1243 S HA 0.198 4.653 4.470 -0.025 0.000 0.276 1243 S C 0.991 175.625 174.600 0.057 0.000 1.339 1243 S CA -0.370 57.844 58.200 0.025 0.000 1.039 1243 S CB 0.679 63.834 63.200 -0.075 0.000 0.902 1243 S HN 0.713 nan 8.310 nan 0.000 0.516 1244 L N 3.304 124.586 121.223 0.099 0.000 2.127 1244 L HA -0.071 4.254 4.340 -0.025 0.000 0.211 1244 L C 1.577 178.493 176.870 0.077 0.000 1.089 1244 L CA 2.295 57.174 54.840 0.066 0.000 0.757 1244 L CB -0.555 41.538 42.059 0.056 0.000 0.899 1244 L HN 0.888 nan 8.230 nan 0.000 0.434 1245 D N -1.588 118.873 120.400 0.101 0.000 2.342 1245 D HA -0.061 4.564 4.640 -0.025 0.000 0.221 1245 D C 0.673 177.026 176.300 0.090 0.000 1.101 1245 D CA 0.098 54.151 54.000 0.089 0.000 0.837 1245 D CB -0.477 40.378 40.800 0.092 0.000 0.938 1245 D HN 0.494 nan 8.370 nan 0.000 0.508 1246 E N -0.173 120.077 120.200 0.083 0.000 2.476 1246 E HA -0.278 4.057 4.350 -0.025 0.000 0.251 1246 E C 0.482 177.142 176.600 0.100 0.000 1.130 1246 E CA 0.629 57.084 56.400 0.091 0.000 0.736 1246 E CB -1.172 28.607 29.700 0.132 0.000 1.298 1246 E HN 0.463 nan 8.360 nan 0.000 0.400 1247 S N -0.646 115.117 115.700 0.105 0.000 2.461 1247 S HA 0.096 4.551 4.470 -0.025 0.000 0.228 1247 S C 0.479 175.225 174.600 0.244 0.000 1.005 1247 S CA 0.760 59.058 58.200 0.163 0.000 0.942 1247 S CB -0.236 63.086 63.200 0.202 0.000 0.776 1247 S HN 0.495 nan 8.310 nan 0.000 0.514 1248 F N -0.731 119.249 119.950 0.049 0.000 2.773 1248 F HA 0.726 5.238 4.527 -0.026 0.000 0.314 1248 F C -1.479 174.378 175.800 0.094 0.000 1.160 1248 F CA -1.946 56.047 58.000 -0.011 0.000 0.920 1248 F CB 0.559 39.528 39.000 -0.052 0.000 1.323 1248 F HN 0.085 nan 8.300 nan 0.000 0.457 1249 Y N 1.126 121.456 120.300 0.050 0.000 2.644 1249 Y HA 0.905 5.438 4.550 -0.027 0.000 0.338 1249 Y C -2.288 173.710 175.900 0.163 0.000 1.119 1249 Y CA -2.003 56.053 58.100 -0.074 0.000 1.060 1249 Y CB 1.756 40.142 38.460 -0.124 0.000 1.294 1249 Y HN 0.966 nan 8.280 nan 0.000 0.472 1250 L N 2.248 123.700 121.223 0.383 0.000 2.543 1250 L HA 0.676 5.001 4.340 -0.025 0.000 0.265 1250 L C -1.512 175.516 176.870 0.264 0.000 0.945 1250 L CA -0.589 54.450 54.840 0.331 0.000 0.869 1250 L CB 2.139 44.459 42.059 0.434 0.000 1.294 1250 L HN 0.917 nan 8.230 nan 0.000 0.405 1251 K N 5.071 125.590 120.400 0.198 0.000 2.527 1251 K HA 0.694 4.999 4.320 -0.025 0.000 0.260 1251 K C -2.899 173.747 176.600 0.076 0.000 0.937 1251 K CA -1.754 54.617 56.287 0.140 0.000 0.826 1251 K CB 2.673 35.218 32.500 0.075 0.000 1.359 1251 K HN 0.300 nan 8.250 nan 0.000 0.434 1252 P HA 0.078 nan 4.420 nan 0.000 0.269 1252 P C -1.404 175.880 177.300 -0.026 0.000 1.209 1252 P CA 0.068 63.133 63.100 -0.057 0.000 0.776 1252 P CB 0.479 32.133 31.700 -0.077 0.000 0.876 1253 D N 1.937 122.297 120.400 -0.066 0.000 2.323 1253 D HA 0.385 5.010 4.640 -0.025 0.000 0.242 1253 D C 0.507 176.782 176.300 -0.042 0.000 1.347 1253 D CA 0.022 54.011 54.000 -0.019 0.000 0.988 1253 D CB 0.945 41.757 40.800 0.020 0.000 1.314 1253 D HN 0.419 nan 8.370 nan 0.000 0.564 1254 A N 2.963 125.774 122.820 -0.015 0.000 5.175 1254 A HA -0.274 4.031 4.320 -0.025 0.000 0.332 1254 A C 1.599 179.137 177.584 -0.076 0.000 1.800 1254 A CA 1.632 53.680 52.037 0.019 0.000 0.707 1254 A CB -1.793 17.219 19.000 0.020 0.000 1.405 1254 A HN 0.832 nan 8.150 nan 0.000 0.388 1255 G N -1.959 106.773 108.800 -0.114 0.000 3.042 1255 G HA2 0.435 4.380 3.960 -0.025 0.000 0.212 1255 G HA3 0.435 4.380 3.960 -0.025 0.000 0.212 1255 G C 0.558 175.282 174.900 -0.293 0.000 1.166 1255 G CA 0.910 45.804 45.100 -0.343 0.000 0.767 1255 G HN 0.496 nan 8.290 nan 0.000 0.546 1256 M N -0.337 119.136 119.600 -0.212 0.000 2.823 1256 M HA 0.569 5.034 4.480 -0.025 0.000 0.282 1256 M C -0.668 175.439 176.300 -0.320 0.000 1.177 1256 M CA -0.762 54.399 55.300 -0.232 0.000 0.871 1256 M CB 1.081 33.620 32.600 -0.102 0.000 1.595 1256 M HN -0.229 nan 8.290 nan 0.000 0.524 1257 L N 1.014 121.945 121.223 -0.487 0.000 2.346 1257 L HA 0.576 4.901 4.340 -0.025 0.000 0.276 1257 L C -0.954 175.672 176.870 -0.407 0.000 1.006 1257 L CA -0.652 53.853 54.840 -0.558 0.000 0.817 1257 L CB 2.273 43.705 42.059 -1.045 0.000 1.272 1257 L HN 0.475 nan 8.230 nan 0.000 0.421 1258 L N 2.088 123.219 121.223 -0.154 0.000 2.282 1258 L HA 0.788 5.113 4.340 -0.025 0.000 0.288 1258 L C 0.056 176.853 176.870 -0.121 0.000 1.033 1258 L CA -0.013 54.780 54.840 -0.078 0.000 0.807 1258 L CB 1.256 43.349 42.059 0.057 0.000 1.209 1258 L HN 0.652 nan 8.230 nan 0.000 0.423 1259 G N 1.988 110.489 108.800 -0.498 0.000 2.498 1259 G HA2 0.635 4.580 3.960 -0.025 0.000 0.312 1259 G HA3 0.635 4.580 3.960 -0.025 0.000 0.312 1259 G C -1.664 172.539 174.900 -1.161 0.000 1.230 1259 G CA -0.452 44.210 45.100 -0.731 0.000 0.968 1259 G HN 0.589 nan 8.290 nan 0.000 0.481 1260 S N 0.050 115.298 115.700 -0.753 0.000 2.535 1260 S HA 0.625 5.080 4.470 -0.025 0.000 0.272 1260 S C -2.439 171.993 174.600 -0.279 0.000 1.149 1260 S CA -0.943 56.882 58.200 -0.624 0.000 0.888 1260 S CB 2.544 65.073 63.200 -1.118 0.000 1.110 1260 S HN 0.320 nan 8.310 nan 0.000 0.463 1261 P HA 0.206 nan 4.420 nan 0.000 0.245 1261 P C 0.502 177.806 177.300 0.006 0.000 1.212 1261 P CA 0.965 64.080 63.100 0.026 0.000 0.774 1261 P CB -0.271 31.455 31.700 0.044 0.000 0.999 1262 A N 0.416 123.186 122.820 -0.085 0.000 2.745 1262 A HA -0.201 4.104 4.320 -0.025 0.000 0.296 1262 A C 0.515 178.152 177.584 0.089 0.000 1.500 1262 A CA 0.546 52.621 52.037 0.063 0.000 0.766 1262 A CB -2.855 16.251 19.000 0.175 0.000 1.030 1262 A HN 0.590 nan 8.150 nan 0.000 0.489 1263 N N -0.350 118.382 118.700 0.054 0.000 2.408 1263 N HA 0.670 5.395 4.740 -0.025 0.000 0.260 1263 N C 0.024 175.573 175.510 0.065 0.000 1.242 1263 N CA -0.218 52.862 53.050 0.051 0.000 0.959 1263 N CB 1.467 39.972 38.487 0.031 0.000 1.201 1263 N HN 1.323 nan 8.380 nan 0.000 0.511 1264 A N 0.114 122.961 122.820 0.046 0.000 3.448 1264 A HA 0.182 4.487 4.320 -0.025 0.000 0.232 1264 A C -1.078 176.523 177.584 0.028 0.000 1.018 1264 A CA -0.754 51.310 52.037 0.045 0.000 0.996 1264 A CB -0.268 18.734 19.000 0.002 0.000 1.283 1264 A HN 0.600 nan 8.150 nan 0.000 0.586 1265 D N 3.425 123.847 120.400 0.037 0.000 2.317 1265 D HA 0.260 4.885 4.640 -0.025 0.000 0.252 1265 D C -2.452 173.870 176.300 0.037 0.000 1.174 1265 D CA -0.654 53.363 54.000 0.029 0.000 0.866 1265 D CB 1.533 42.352 40.800 0.031 0.000 1.127 1265 D HN 0.272 nan 8.370 nan 0.000 0.467 1266 P HA 0.026 nan 4.420 nan 0.000 0.271 1266 P C -0.297 177.022 177.300 0.032 0.000 1.220 1266 P CA -0.220 62.897 63.100 0.027 0.000 0.768 1266 P CB 1.129 32.836 31.700 0.011 0.000 0.848 1267 V N -0.065 119.874 119.914 0.040 0.000 3.206 1267 V HA 0.509 4.614 4.120 -0.025 0.000 0.305 1267 V C -0.239 175.878 176.094 0.037 0.000 1.257 1267 V CA -1.218 61.117 62.300 0.058 0.000 1.057 1267 V CB 1.855 33.767 31.823 0.148 0.000 1.075 1267 V HN 0.372 nan 8.190 nan 0.000 0.443 1268 E N 1.171 121.393 120.200 0.037 0.000 2.392 1268 E HA 0.549 4.884 4.350 -0.025 0.000 0.259 1268 E C 0.272 176.890 176.600 0.031 0.000 1.108 1268 E CA -0.108 56.296 56.400 0.006 0.000 0.916 1268 E CB 1.286 30.979 29.700 -0.011 0.000 0.989 1268 E HN 1.135 nan 8.360 nan 0.000 0.432 1269 A N 3.383 126.081 122.820 -0.203 0.000 2.524 1269 A HA 0.139 4.445 4.320 -0.025 0.000 0.250 1269 A C -0.124 177.370 177.584 -0.150 0.000 1.078 1269 A CA 0.267 51.935 52.037 -0.614 0.000 0.761 1269 A CB -0.256 17.940 19.000 -1.340 0.000 1.012 1269 A HN 0.747 nan 8.150 nan 0.000 0.500 1270 H N 0.389 119.371 119.070 -0.146 0.000 2.887 1270 H HA 0.302 4.844 4.556 -0.023 0.000 0.290 1270 H C -1.748 173.821 175.328 0.403 0.000 1.429 1270 H CA -0.868 55.349 56.048 0.282 0.000 1.137 1270 H CB 0.540 30.404 29.762 0.169 0.000 1.824 1270 H HN 0.431 nan 8.280 nan 0.000 0.520 1271 D N 1.675 122.322 120.400 0.413 0.000 2.435 1271 D HA 0.204 4.829 4.640 -0.025 0.000 0.230 1271 D C -0.351 175.983 176.300 0.057 0.000 1.215 1271 D CA -0.044 54.181 54.000 0.375 0.000 0.947 1271 D CB -0.133 40.969 40.800 0.504 0.000 1.048 1271 D HN 0.421 nan 8.370 nan 0.000 0.512 1272 V N 3.892 123.671 119.914 -0.225 0.000 2.686 1272 V HA 0.196 4.301 4.120 -0.025 0.000 0.295 1272 V C -0.105 176.005 176.094 0.026 0.000 1.055 1272 V CA -0.068 62.054 62.300 -0.296 0.000 1.050 1272 V CB 1.210 32.816 31.823 -0.361 0.000 0.984 1272 V HN 0.486 nan 8.190 nan 0.000 0.482 1273 Q N 7.104 126.975 119.800 0.119 0.000 2.257 1273 Q HA 0.506 4.831 4.340 -0.025 0.000 0.262 1273 Q C -2.498 173.569 176.000 0.112 0.000 0.997 1273 Q CA -1.963 53.919 55.803 0.132 0.000 0.873 1273 Q CB 1.904 30.731 28.738 0.148 0.000 1.312 1273 Q HN 0.587 nan 8.270 nan 0.000 0.450 1274 P HA 0.019 nan 4.420 nan 0.000 0.271 1274 P C -0.771 176.560 177.300 0.052 0.000 1.218 1274 P CA 0.015 63.152 63.100 0.061 0.000 0.780 1274 P CB 0.868 32.601 31.700 0.055 0.000 0.901 1275 E N 1.862 122.081 120.200 0.032 0.000 2.216 1275 E HA 0.026 4.361 4.350 -0.025 0.000 0.279 1275 E C 1.170 177.764 176.600 -0.010 0.000 0.997 1275 E CA -0.600 55.811 56.400 0.018 0.000 0.817 1275 E CB 1.290 31.001 29.700 0.018 0.000 1.096 1275 E HN 0.488 nan 8.360 nan 0.000 0.393 1276 Q N 2.897 122.686 119.800 -0.019 0.000 2.118 1276 Q HA -0.238 4.087 4.340 -0.025 0.000 0.211 1276 Q C 1.623 177.585 176.000 -0.065 0.000 0.998 1276 Q CA 1.739 57.514 55.803 -0.047 0.000 0.872 1276 Q CB -0.070 28.642 28.738 -0.044 0.000 0.925 1276 Q HN 0.522 nan 8.270 nan 0.000 0.414 1277 L N 1.554 122.747 121.223 -0.050 0.000 2.141 1277 L HA -0.140 4.185 4.340 -0.025 0.000 0.209 1277 L C 1.573 178.408 176.870 -0.059 0.000 1.094 1277 L CA 2.079 56.882 54.840 -0.061 0.000 0.763 1277 L CB -0.565 41.465 42.059 -0.049 0.000 0.908 1277 L HN 0.135 nan 8.230 nan 0.000 0.437 1278 D N -0.208 120.168 120.400 -0.039 0.000 2.097 1278 D HA -0.178 4.447 4.640 -0.025 0.000 0.195 1278 D C 2.271 178.550 176.300 -0.036 0.000 0.989 1278 D CA 1.528 55.514 54.000 -0.023 0.000 0.827 1278 D CB -0.128 40.668 40.800 -0.007 0.000 0.966 1278 D HN 0.274 nan 8.370 nan 0.000 0.456 1279 I N 1.171 121.690 120.570 -0.085 0.000 2.202 1279 I HA -0.161 3.994 4.170 -0.025 0.000 0.242 1279 I C 2.460 178.394 176.117 -0.305 0.000 1.091 1279 I CA 0.741 61.908 61.300 -0.222 0.000 1.368 1279 I CB -1.406 36.435 38.000 -0.265 0.000 1.058 1279 I HN -0.105 nan 8.210 nan 0.000 0.410 1280 A N 0.529 123.226 122.820 -0.205 0.000 1.933 1280 A HA -0.188 4.117 4.320 -0.025 0.000 0.218 1280 A C 2.448 179.962 177.584 -0.117 0.000 1.175 1280 A CA 2.382 54.313 52.037 -0.178 0.000 0.628 1280 A CB -1.066 17.853 19.000 -0.136 0.000 0.814 1280 A HN 0.419 nan 8.150 nan 0.000 0.444 1281 T N -0.306 114.196 114.554 -0.087 0.000 2.708 1281 T HA -0.034 4.301 4.350 -0.025 0.000 0.266 1281 T C 1.995 176.707 174.700 0.021 0.000 1.037 1281 T CA 1.472 63.550 62.100 -0.037 0.000 1.146 1281 T CB -0.663 68.182 68.868 -0.038 0.000 0.865 1281 T HN 0.583 nan 8.240 nan 0.000 0.435 1282 G N 1.146 109.968 108.800 0.036 0.000 2.418 1282 G HA2 -0.193 3.752 3.960 -0.025 0.000 0.217 1282 G HA3 -0.193 3.752 3.960 -0.025 0.000 0.217 1282 G C 1.581 176.517 174.900 0.061 0.000 1.158 1282 G CA 0.709 45.889 45.100 0.133 0.000 0.771 1282 G HN 0.405 nan 8.290 nan 0.000 0.545 1283 M N -0.950 118.586 119.600 -0.106 0.000 2.117 1283 M HA 0.000 4.465 4.480 -0.025 0.000 0.262 1283 M C 2.361 178.560 176.300 -0.168 0.000 1.065 1283 M CA 1.287 56.455 55.300 -0.221 0.000 1.114 1283 M CB -0.414 31.941 32.600 -0.408 0.000 1.361 1283 M HN 0.345 nan 8.290 nan 0.000 0.408 1284 Y N 1.367 121.534 120.300 -0.221 0.000 2.128 1284 Y HA -0.252 4.283 4.550 -0.026 0.000 0.284 1284 Y C 1.921 177.676 175.900 -0.242 0.000 1.154 1284 Y CA 1.782 59.764 58.100 -0.197 0.000 1.149 1284 Y CB -0.223 38.145 38.460 -0.152 0.000 0.976 1284 Y HN 0.078 nan 8.280 nan 0.000 0.505 1285 L N -0.504 120.631 121.223 -0.146 0.000 2.093 1285 L HA -0.194 4.132 4.340 -0.025 0.000 0.208 1285 L C 2.380 178.782 176.870 -0.781 0.000 1.085 1285 L CA 1.200 55.800 54.840 -0.401 0.000 0.755 1285 L CB -0.458 41.430 42.059 -0.285 0.000 0.904 1285 L HN 0.288 nan 8.230 nan 0.000 0.435 1286 I N -0.339 119.798 120.570 -0.721 0.000 2.226 1286 I HA -0.260 3.895 4.170 -0.025 0.000 0.245 1286 I C 2.349 178.219 176.117 -0.412 0.000 1.100 1286 I CA 1.306 62.211 61.300 -0.658 0.000 1.374 1286 I CB -0.241 37.563 38.000 -0.327 0.000 1.057 1286 I HN 0.265 nan 8.210 nan 0.000 0.413 1287 E N 0.229 120.210 120.200 -0.364 0.000 2.268 1287 E HA -0.246 4.089 4.350 -0.025 0.000 0.195 1287 E C 1.930 178.335 176.600 -0.325 0.000 0.995 1287 E CA 0.784 57.010 56.400 -0.290 0.000 0.836 1287 E CB 0.020 29.553 29.700 -0.277 0.000 0.763 1287 E HN 0.516 nan 8.360 nan 0.000 0.491 1288 E N 0.410 120.344 120.200 -0.444 0.000 2.122 1288 E HA -0.045 4.290 4.350 -0.025 0.000 0.190 1288 E C 1.854 178.293 176.600 -0.268 0.000 0.977 1288 E CA 0.674 56.838 56.400 -0.392 0.000 0.820 1288 E CB 0.089 29.486 29.700 -0.504 0.000 0.770 1288 E HN 0.157 nan 8.360 nan 0.000 0.462 1289 A N 0.537 123.152 122.820 -0.343 0.000 2.123 1289 A HA 0.047 4.352 4.320 -0.025 0.000 0.214 1289 A C 1.231 178.786 177.584 -0.048 0.000 1.152 1289 A CA 1.110 53.004 52.037 -0.238 0.000 0.728 1289 A CB -0.119 18.553 19.000 -0.546 0.000 0.814 1289 A HN 0.401 nan 8.150 nan 0.000 0.464 1290 T N -5.289 109.209 114.554 -0.093 0.000 2.838 1290 T HA 0.400 4.735 4.350 -0.025 0.000 0.292 1290 T C 0.663 175.343 174.700 -0.033 0.000 1.113 1290 T CA 0.371 62.458 62.100 -0.023 0.000 1.008 1290 T CB 1.091 69.969 68.868 0.016 0.000 1.259 1290 T HN 0.283 nan 8.240 nan 0.000 0.520 1291 T N -0.469 114.088 114.554 0.004 0.000 3.148 1291 T HA 0.272 4.607 4.350 -0.025 0.000 0.253 1291 T C 0.868 175.585 174.700 0.029 0.000 1.134 1291 T CA -0.207 61.898 62.100 0.008 0.000 1.051 1291 T CB -0.740 68.143 68.868 0.025 0.000 0.959 1291 T HN 0.516 nan 8.240 nan 0.000 0.525 1292 L N 3.037 124.295 121.223 0.059 0.000 2.461 1292 L HA 0.330 4.655 4.340 -0.025 0.000 0.272 1292 L C 0.737 177.618 176.870 0.018 0.000 1.197 1292 L CA -0.290 54.609 54.840 0.099 0.000 0.836 1292 L CB 0.358 42.535 42.059 0.196 0.000 1.105 1292 L HN 0.320 nan 8.230 nan 0.000 0.477 1293 T N 0.371 114.942 114.554 0.029 0.000 2.829 1293 T HA 0.690 5.025 4.350 -0.025 0.000 0.280 1293 T C -0.442 174.239 174.700 -0.031 0.000 0.999 1293 T CA -0.666 61.417 62.100 -0.029 0.000 0.983 1293 T CB 1.532 70.389 68.868 -0.019 0.000 0.968 1293 T HN 0.323 nan 8.240 nan 0.000 0.446 1294 I N 3.072 123.565 120.570 -0.129 0.000 2.354 1294 I HA 0.410 4.565 4.170 -0.025 0.000 0.286 1294 I C 0.578 176.621 176.117 -0.125 0.000 1.007 1294 I CA -1.076 60.103 61.300 -0.201 0.000 1.167 1294 I CB 1.446 39.129 38.000 -0.527 0.000 1.320 1294 I HN 0.720 nan 8.210 nan 0.000 0.458 1295 R N 6.282 126.765 120.500 -0.028 0.000 2.679 1295 R HA 0.310 4.635 4.340 -0.025 0.000 0.269 1295 R C -0.030 176.262 176.300 -0.014 0.000 1.076 1295 R CA -0.528 55.566 56.100 -0.009 0.000 1.160 1295 R CB 0.618 30.938 30.300 0.033 0.000 1.054 1295 R HN 0.647 nan 8.270 nan 0.000 0.507 1296 R N 2.116 122.601 120.500 -0.024 0.000 2.481 1296 R HA 0.065 4.390 4.340 -0.025 0.000 0.291 1296 R C -2.021 174.295 176.300 0.027 0.000 0.934 1296 R CA -0.957 55.125 56.100 -0.029 0.000 1.116 1296 R CB -0.586 29.701 30.300 -0.022 0.000 0.895 1296 R HN 0.485 nan 8.270 nan 0.000 0.410 1297 P HA -0.013 nan 4.420 nan 0.000 0.269 1297 P C -0.221 177.116 177.300 0.063 0.000 1.209 1297 P CA -0.149 63.021 63.100 0.118 0.000 0.776 1297 P CB 0.796 32.550 31.700 0.091 0.000 0.876 1298 E N 0.339 120.585 120.200 0.077 0.000 2.230 1298 E HA -0.027 4.308 4.350 -0.025 0.000 0.192 1298 E C 0.236 176.551 176.600 -0.475 0.000 0.987 1298 E CA 1.221 57.521 56.400 -0.167 0.000 0.841 1298 E CB 0.079 29.701 29.700 -0.130 0.000 0.783 1298 E HN 0.578 nan 8.360 nan 0.000 0.481 1299 H N -0.862 118.349 119.070 0.236 0.000 2.974 1299 H HA 0.293 4.837 4.556 -0.020 0.000 0.366 1299 H C -0.325 175.215 175.328 0.353 0.000 1.155 1299 H CA -0.377 55.852 56.048 0.302 0.000 1.186 1299 H CB 1.910 31.907 29.762 0.392 0.000 1.799 1299 H HN -0.043 nan 8.280 nan 0.000 0.541 1300 T N -0.634 114.189 114.554 0.450 0.000 2.903 1300 T HA 0.658 4.993 4.350 -0.025 0.000 0.299 1300 T C -0.992 173.986 174.700 0.462 0.000 1.093 1300 T CA -0.883 61.406 62.100 0.315 0.000 1.002 1300 T CB 2.208 71.169 68.868 0.155 0.000 1.127 1300 T HN 0.763 nan 8.240 nan 0.000 0.488 1301 W N 0.273 121.654 121.300 0.134 0.000 2.937 1301 W HA 0.843 5.498 4.660 -0.008 0.000 0.360 1301 W C -1.966 174.596 176.519 0.072 0.000 1.215 1301 W CA -1.101 56.293 57.345 0.081 0.000 1.183 1301 W CB 0.671 30.160 29.460 0.049 0.000 1.458 1301 W HN 0.961 nan 8.180 nan 0.000 0.574 1302 A N 0.815 123.792 122.820 0.263 0.000 2.556 1302 A HA 0.978 5.283 4.320 -0.025 0.000 0.294 1302 A C -0.655 177.076 177.584 0.246 0.000 1.091 1302 A CA -0.332 51.790 52.037 0.142 0.000 0.704 1302 A CB 1.389 20.432 19.000 0.072 0.000 1.300 1302 A HN 1.847 nan 8.150 nan 0.000 0.406 1303 G N -0.559 108.352 108.800 0.185 0.000 2.725 1303 G HA2 0.599 4.544 3.960 -0.025 0.000 0.288 1303 G HA3 0.599 4.544 3.960 -0.025 0.000 0.288 1303 G C -1.476 173.466 174.900 0.070 0.000 1.399 1303 G CA -0.734 44.450 45.100 0.140 0.000 0.859 1303 G HN 0.712 nan 8.290 nan 0.000 0.479 1304 L N 0.524 121.765 121.223 0.030 0.000 2.282 1304 L HA 0.554 4.879 4.340 -0.025 0.000 0.288 1304 L C 0.141 176.991 176.870 -0.032 0.000 1.033 1304 L CA -0.657 54.170 54.840 -0.023 0.000 0.807 1304 L CB 1.660 43.649 42.059 -0.116 0.000 1.209 1304 L HN 0.324 nan 8.230 nan 0.000 0.423 1305 R N 2.094 122.581 120.500 -0.023 0.000 2.288 1305 R HA 0.452 4.777 4.340 -0.025 0.000 0.326 1305 R C -0.890 175.275 176.300 -0.225 0.000 0.959 1305 R CA -0.311 55.703 56.100 -0.144 0.000 0.834 1305 R CB 1.718 32.014 30.300 -0.006 0.000 1.157 1305 R HN 0.512 nan 8.270 nan 0.000 0.470 1306 S N 3.372 118.814 115.700 -0.429 0.000 2.454 1306 S HA 0.575 5.030 4.470 -0.025 0.000 0.306 1306 S C -0.933 173.405 174.600 -0.437 0.000 1.100 1306 S CA -0.566 57.475 58.200 -0.264 0.000 1.087 1306 S CB 0.725 63.827 63.200 -0.164 0.000 1.019 1306 S HN 0.308 nan 8.310 nan 0.000 0.480 1307 F N 1.227 121.153 119.950 -0.040 0.000 2.577 1307 F HA 0.614 5.126 4.527 -0.024 0.000 0.318 1307 F C 0.391 176.164 175.800 -0.046 0.000 1.065 1307 F CA -1.076 56.906 58.000 -0.029 0.000 0.929 1307 F CB 1.381 40.369 39.000 -0.020 0.000 1.237 1307 F HN 0.408 nan 8.300 nan 0.000 0.468 1308 V N 0.009 120.005 119.914 0.136 0.000 3.336 1308 V HA 0.749 4.854 4.120 -0.025 0.000 0.314 1308 V C 0.875 177.002 176.094 0.056 0.000 1.088 1308 V CA -0.204 62.119 62.300 0.038 0.000 1.033 1308 V CB 0.820 32.610 31.823 -0.055 0.000 1.181 1308 V HN 0.940 nan 8.190 nan 0.000 0.449 1309 A N 0.805 123.624 122.820 -0.001 0.000 1.972 1309 A HA -0.138 4.167 4.320 -0.025 0.000 0.219 1309 A C 1.557 179.135 177.584 -0.010 0.000 1.169 1309 A CA 1.937 53.968 52.037 -0.011 0.000 0.635 1309 A CB -0.985 17.997 19.000 -0.029 0.000 0.810 1309 A HN 1.135 nan 8.150 nan 0.000 0.446 1310 D N -2.629 117.767 120.400 -0.006 0.000 2.339 1310 D HA 0.288 4.913 4.640 -0.025 0.000 0.217 1310 D C 1.179 177.487 176.300 0.014 0.000 1.050 1310 D CA 0.853 54.846 54.000 -0.011 0.000 0.856 1310 D CB -0.560 40.224 40.800 -0.026 0.000 0.922 1310 D HN 0.736 nan 8.370 nan 0.000 0.518 1311 G N -0.058 108.789 108.800 0.079 0.000 2.184 1311 G HA2 -0.256 3.689 3.960 -0.025 0.000 0.264 1311 G HA3 -0.256 3.689 3.960 -0.025 0.000 0.264 1311 G C -0.290 174.710 174.900 0.167 0.000 0.975 1311 G CA 0.343 45.559 45.100 0.193 0.000 0.642 1311 G HN 0.437 nan 8.290 nan 0.000 0.536 1312 D N -0.129 120.306 120.400 0.058 0.000 2.277 1312 D HA 0.620 5.245 4.640 -0.025 0.000 0.250 1312 D C 0.940 177.240 176.300 0.000 0.000 1.032 1312 D CA -0.558 53.440 54.000 -0.004 0.000 0.947 1312 D CB 1.246 42.022 40.800 -0.041 0.000 1.159 1312 D HN 0.098 nan 8.370 nan 0.000 0.460 1313 L N 0.369 121.579 121.223 -0.022 0.000 2.476 1313 L HA 0.283 4.608 4.340 -0.025 0.000 0.255 1313 L C 0.029 176.868 176.870 -0.052 0.000 1.218 1313 L CA -0.175 54.650 54.840 -0.025 0.000 0.819 1313 L CB 0.518 42.567 42.059 -0.017 0.000 1.119 1313 L HN 0.074 nan 8.230 nan 0.000 0.485 1314 V N 0.753 120.634 119.914 -0.055 0.000 2.483 1314 V HA 0.783 4.888 4.120 -0.025 0.000 0.297 1314 V C -0.454 175.607 176.094 -0.054 0.000 1.027 1314 V CA -0.617 61.631 62.300 -0.085 0.000 0.855 1314 V CB 1.451 33.184 31.823 -0.150 0.000 0.995 1314 V HN 0.795 nan 8.190 nan 0.000 0.424 1315 A N 3.626 126.399 122.820 -0.079 0.000 2.457 1315 A HA 0.975 5.280 4.320 -0.025 0.000 0.283 1315 A C -0.054 177.360 177.584 -0.284 0.000 1.166 1315 A CA 0.126 52.122 52.037 -0.069 0.000 0.740 1315 A CB 1.306 20.354 19.000 0.081 0.000 1.181 1315 A HN 1.513 nan 8.150 nan 0.000 0.446 1316 G N 0.553 108.807 108.800 -0.911 0.000 2.411 1316 G HA2 0.459 4.404 3.960 -0.025 0.000 0.295 1316 G HA3 0.459 4.404 3.960 -0.025 0.000 0.295 1316 G C -1.510 172.730 174.900 -1.101 0.000 1.542 1316 G CA -0.713 43.841 45.100 -0.911 0.000 0.814 1316 G HN 0.435 nan 8.290 nan 0.000 0.557 1317 Y N 0.883 120.915 120.300 -0.446 0.000 2.497 1317 Y HA 0.414 4.949 4.550 -0.024 0.000 0.334 1317 Y C 1.370 177.348 175.900 0.130 0.000 1.199 1317 Y CA 1.082 59.159 58.100 -0.039 0.000 1.425 1317 Y CB 0.979 39.558 38.460 0.198 0.000 1.291 1317 Y HN 0.780 nan 8.280 nan 0.000 0.562 1318 A N 2.876 125.984 122.820 0.481 0.000 2.511 1318 A HA 0.493 4.798 4.320 -0.025 0.000 0.242 1318 A C 0.231 178.006 177.584 0.319 0.000 1.069 1318 A CA -0.213 52.117 52.037 0.489 0.000 0.763 1318 A CB -0.434 18.855 19.000 0.481 0.000 1.001 1318 A HN 0.902 nan 8.150 nan 0.000 0.498 1319 A N 2.577 125.534 122.820 0.229 0.000 2.511 1319 A HA 0.414 4.719 4.320 -0.025 0.000 0.242 1319 A C 0.850 178.522 177.584 0.146 0.000 1.069 1319 A CA 0.429 52.560 52.037 0.156 0.000 0.763 1319 A CB -0.746 18.317 19.000 0.104 0.000 1.001 1319 A HN 1.422 nan 8.150 nan 0.000 0.498 1320 N N -0.969 117.804 118.700 0.122 0.000 2.828 1320 N HA -0.180 4.545 4.740 -0.025 0.000 0.248 1320 N C -0.115 175.469 175.510 0.123 0.000 1.044 1320 N CA 0.833 53.942 53.050 0.098 0.000 0.851 1320 N CB -1.242 37.289 38.487 0.074 0.000 1.136 1320 N HN 1.282 nan 8.380 nan 0.000 0.572 1321 A N 0.773 123.702 122.820 0.181 0.000 2.943 1321 A HA 0.351 4.656 4.320 -0.025 0.000 0.327 1321 A C -0.095 177.711 177.584 0.370 0.000 1.141 1321 A CA -0.424 51.764 52.037 0.251 0.000 0.773 1321 A CB 0.553 19.667 19.000 0.190 0.000 1.143 1321 A HN 0.317 nan 8.150 nan 0.000 0.463 1322 E N 1.065 121.424 120.200 0.266 0.000 2.652 1322 E HA 0.238 4.573 4.350 -0.025 0.000 0.255 1322 E C 1.387 178.271 176.600 0.473 0.000 0.952 1322 E CA 1.523 58.061 56.400 0.231 0.000 0.947 1322 E CB 0.172 29.925 29.700 0.087 0.000 0.912 1322 E HN 1.591 nan 8.360 nan 0.000 0.489 1323 G N 3.908 112.954 108.800 0.411 0.000 2.184 1323 G HA2 -0.325 3.620 3.960 -0.025 0.000 0.264 1323 G HA3 -0.325 3.620 3.960 -0.025 0.000 0.264 1323 G C -0.110 175.249 174.900 0.765 0.000 0.975 1323 G CA 0.220 45.699 45.100 0.633 0.000 0.642 1323 G HN 0.542 nan 8.290 nan 0.000 0.536 1324 F N 0.880 121.129 119.950 0.499 0.000 2.361 1324 F HA 0.703 5.216 4.527 -0.024 0.000 0.364 1324 F C -0.253 175.583 175.800 0.060 0.000 1.120 1324 F CA -1.535 56.469 58.000 0.008 0.000 1.102 1324 F CB 0.497 39.379 39.000 -0.197 0.000 1.183 1324 F HN 0.034 nan 8.300 nan 0.000 0.476 1325 F N 6.577 126.245 119.950 -0.471 0.000 2.467 1325 F HA 0.432 4.944 4.527 -0.025 0.000 0.336 1325 F C -1.348 174.176 175.800 -0.460 0.000 1.123 1325 F CA -0.944 56.797 58.000 -0.432 0.000 0.964 1325 F CB 0.766 39.397 39.000 -0.615 0.000 1.136 1325 F HN 0.401 nan 8.300 nan 0.000 0.447 1326 W N 6.073 127.076 121.300 -0.494 0.000 2.316 1326 W HA 0.553 5.197 4.660 -0.026 0.000 0.311 1326 W C -0.930 175.471 176.519 -0.196 0.000 1.217 1326 W CA -0.675 56.514 57.345 -0.260 0.000 1.199 1326 W CB 1.354 30.698 29.460 -0.192 0.000 1.202 1326 W HN 0.178 nan 8.180 nan 0.000 0.528 1327 V N 4.147 124.176 119.914 0.190 0.000 2.320 1327 V HA 0.718 4.823 4.120 -0.025 0.000 0.268 1327 V C 0.022 176.190 176.094 0.124 0.000 1.021 1327 V CA -0.740 61.649 62.300 0.148 0.000 0.813 1327 V CB -0.126 31.771 31.823 0.124 0.000 1.054 1327 V HN 0.644 nan 8.190 nan 0.000 0.444 1328 A N 2.567 125.451 122.820 0.106 0.000 2.564 1328 A HA 0.959 5.264 4.320 -0.025 0.000 0.288 1328 A C 0.560 178.145 177.584 0.003 0.000 1.164 1328 A CA -0.203 51.890 52.037 0.093 0.000 0.712 1328 A CB 1.592 20.702 19.000 0.182 0.000 1.303 1328 A HN 2.060 nan 8.150 nan 0.000 0.418 1329 A N -0.464 122.336 122.820 -0.034 0.000 2.914 1329 A HA -0.167 4.138 4.320 -0.025 0.000 0.280 1329 A C 0.742 178.255 177.584 -0.117 0.000 1.447 1329 A CA 1.597 53.578 52.037 -0.093 0.000 0.759 1329 A CB -2.408 16.552 19.000 -0.066 0.000 1.034 1329 A HN 0.984 nan 8.150 nan 0.000 0.529 1330 Q N -0.574 119.153 119.800 -0.123 0.000 2.364 1330 Q HA 0.332 4.657 4.340 -0.025 0.000 0.207 1330 Q C 2.009 177.862 176.000 -0.244 0.000 0.970 1330 Q CA 2.242 57.988 55.803 -0.095 0.000 0.888 1330 Q CB -0.266 28.436 28.738 -0.061 0.000 0.951 1330 Q HN 2.189 nan 8.270 nan 0.000 0.469 1331 G N -0.236 108.189 108.800 -0.625 0.000 2.596 1331 G HA2 -0.331 3.614 3.960 -0.025 0.000 0.295 1331 G HA3 -0.331 3.614 3.960 -0.025 0.000 0.295 1331 G C 0.651 174.998 174.900 -0.921 0.000 1.240 1331 G CA -0.094 44.170 45.100 -1.394 0.000 0.985 1331 G HN 0.562 nan 8.290 nan 0.000 0.555 1332 G N -1.245 106.837 108.800 -1.197 0.000 3.383 1332 G HA2 0.449 4.394 3.960 -0.025 0.000 0.251 1332 G HA3 0.449 4.394 3.960 -0.025 0.000 0.251 1332 G C 0.477 174.985 174.900 -0.655 0.000 1.203 1332 G CA 1.169 45.798 45.100 -0.785 0.000 0.852 1332 G HN 0.691 nan 8.290 nan 0.000 0.531 1333 Y N -1.693 118.605 120.300 -0.003 0.000 2.728 1333 Y HA 0.283 4.818 4.550 -0.025 0.000 0.256 1333 Y C 2.145 178.065 175.900 0.034 0.000 1.112 1333 Y CA -0.855 57.264 58.100 0.032 0.000 1.240 1333 Y CB 0.085 38.529 38.460 -0.027 0.000 1.337 1333 Y HN 0.050 nan 8.280 nan 0.000 0.559 1334 G N 1.067 109.919 108.800 0.085 0.000 2.422 1334 G HA2 -0.149 3.796 3.960 -0.025 0.000 0.218 1334 G HA3 -0.149 3.796 3.960 -0.025 0.000 0.218 1334 G C 1.415 176.397 174.900 0.136 0.000 1.140 1334 G CA 1.135 46.286 45.100 0.086 0.000 0.775 1334 G HN 0.172 nan 8.290 nan 0.000 0.545 1335 I N 1.602 122.254 120.570 0.137 0.000 2.235 1335 I HA -0.134 4.021 4.170 -0.025 0.000 0.241 1335 I C 2.936 179.220 176.117 0.277 0.000 1.085 1335 I CA 1.359 62.755 61.300 0.159 0.000 1.378 1335 I CB -1.549 36.498 38.000 0.078 0.000 1.076 1335 I HN 0.478 nan 8.210 nan 0.000 0.415 1336 Q N 1.295 121.264 119.800 0.282 0.000 2.364 1336 Q HA -0.128 4.197 4.340 -0.025 0.000 0.207 1336 Q C 1.429 177.730 176.000 0.502 0.000 0.970 1336 Q CA 1.826 57.899 55.803 0.449 0.000 0.888 1336 Q CB -0.609 28.283 28.738 0.256 0.000 0.951 1336 Q HN 0.595 nan 8.270 nan 0.000 0.469 1337 T N -2.488 112.257 114.554 0.319 0.000 3.069 1337 T HA 0.145 4.480 4.350 -0.025 0.000 0.252 1337 T C 1.737 176.535 174.700 0.164 0.000 1.053 1337 T CA 0.205 62.416 62.100 0.185 0.000 0.964 1337 T CB 0.386 69.309 68.868 0.093 0.000 1.005 1337 T HN 0.369 nan 8.240 nan 0.000 0.532 1338 S N 1.811 117.704 115.700 0.322 0.000 2.402 1338 S HA 0.099 4.554 4.470 -0.025 0.000 0.229 1338 S C 2.375 177.056 174.600 0.136 0.000 1.021 1338 S CA 0.598 58.947 58.200 0.248 0.000 0.974 1338 S CB -0.780 62.664 63.200 0.406 0.000 0.800 1338 S HN 0.649 nan 8.310 nan 0.000 0.484 1339 A N 2.069 124.965 122.820 0.126 0.000 1.898 1339 A HA 0.386 4.691 4.320 -0.025 0.000 0.216 1339 A C 2.526 179.805 177.584 -0.509 0.000 1.181 1339 A CA 1.594 53.526 52.037 -0.175 0.000 0.620 1339 A CB -1.409 17.386 19.000 -0.341 0.000 0.819 1339 A HN 0.836 nan 8.150 nan 0.000 0.442 1340 A N -1.110 121.507 122.820 -0.339 0.000 1.929 1340 A HA -0.028 4.277 4.320 -0.025 0.000 0.216 1340 A C 2.178 179.559 177.584 -0.339 0.000 1.176 1340 A CA 1.711 53.536 52.037 -0.353 0.000 0.628 1340 A CB -0.437 18.419 19.000 -0.239 0.000 0.816 1340 A HN 0.406 nan 8.150 nan 0.000 0.444 1341 M N -0.414 119.054 119.600 -0.220 0.000 2.117 1341 M HA -0.100 4.365 4.480 -0.025 0.000 0.262 1341 M C 2.302 178.466 176.300 -0.227 0.000 1.065 1341 M CA 1.531 56.731 55.300 -0.166 0.000 1.114 1341 M CB -1.660 30.899 32.600 -0.068 0.000 1.361 1341 M HN 0.488 nan 8.290 nan 0.000 0.408 1342 G N -0.430 108.198 108.800 -0.287 0.000 2.421 1342 G HA2 -0.240 3.705 3.960 -0.025 0.000 0.216 1342 G HA3 -0.240 3.705 3.960 -0.025 0.000 0.216 1342 G C 1.491 176.111 174.900 -0.467 0.000 1.171 1342 G CA 0.985 45.949 45.100 -0.226 0.000 0.775 1342 G HN 0.556 nan 8.290 nan 0.000 0.543 1343 E N 0.316 119.821 120.200 -1.159 0.000 2.072 1343 E HA 0.009 4.344 4.350 -0.025 0.000 0.191 1343 E C 2.768 179.019 176.600 -0.581 0.000 0.985 1343 E CA 0.926 56.570 56.400 -1.260 0.000 0.801 1343 E CB -0.202 28.620 29.700 -1.464 0.000 0.750 1343 E HN 0.335 nan 8.360 nan 0.000 0.452 1344 A N 0.389 122.946 122.820 -0.438 0.000 1.873 1344 A HA -0.141 4.164 4.320 -0.025 0.000 0.215 1344 A C 2.377 179.840 177.584 -0.201 0.000 1.186 1344 A CA 1.695 53.569 52.037 -0.272 0.000 0.616 1344 A CB -0.618 18.259 19.000 -0.205 0.000 0.823 1344 A HN 0.261 nan 8.150 nan 0.000 0.442 1345 S N -0.047 115.543 115.700 -0.184 0.000 2.359 1345 S HA -0.116 4.339 4.470 -0.025 0.000 0.224 1345 S C 2.328 176.663 174.600 -0.442 0.000 1.035 1345 S CA 1.412 59.504 58.200 -0.180 0.000 1.018 1345 S CB -0.534 62.602 63.200 -0.107 0.000 0.876 1345 S HN 0.807 nan 8.310 nan 0.000 0.448 1346 A N 1.513 124.123 122.820 -0.349 0.000 1.902 1346 A HA 0.109 4.414 4.320 -0.025 0.000 0.217 1346 A C 2.366 179.742 177.584 -0.347 0.000 1.181 1346 A CA 1.751 53.570 52.037 -0.363 0.000 0.623 1346 A CB -1.145 17.764 19.000 -0.151 0.000 0.818 1346 A HN 0.519 nan 8.150 nan 0.000 0.443 1347 A N -0.117 122.541 122.820 -0.270 0.000 1.883 1347 A HA -0.105 4.200 4.320 -0.025 0.000 0.217 1347 A C 2.174 179.643 177.584 -0.192 0.000 1.186 1347 A CA 1.653 53.563 52.037 -0.212 0.000 0.624 1347 A CB -0.672 18.225 19.000 -0.171 0.000 0.822 1347 A HN 0.484 nan 8.150 nan 0.000 0.444 1348 L N -0.824 120.283 121.223 -0.194 0.000 2.093 1348 L HA -0.125 4.200 4.340 -0.025 0.000 0.208 1348 L C 2.446 179.160 176.870 -0.262 0.000 1.085 1348 L CA 0.919 55.696 54.840 -0.105 0.000 0.755 1348 L CB -0.489 41.631 42.059 0.102 0.000 0.904 1348 L HN 0.360 nan 8.230 nan 0.000 0.435 1349 I N -0.203 119.982 120.570 -0.640 0.000 2.208 1349 I HA -0.286 3.869 4.170 -0.025 0.000 0.245 1349 I C 2.255 178.251 176.117 -0.202 0.000 1.097 1349 I CA 1.396 62.291 61.300 -0.674 0.000 1.363 1349 I CB -0.185 37.282 38.000 -0.888 0.000 1.051 1349 I HN 0.176 nan 8.210 nan 0.000 0.413 1350 R N -0.334 120.046 120.500 -0.199 0.000 2.319 1350 R HA 0.024 4.349 4.340 -0.025 0.000 0.204 1350 R C -0.090 176.251 176.300 0.067 0.000 0.954 1350 R CA 0.097 56.178 56.100 -0.032 0.000 1.066 1350 R CB -0.209 30.017 30.300 -0.123 0.000 0.991 1350 R HN 0.344 nan 8.270 nan 0.000 0.486 1351 H N 0.145 119.274 119.070 0.098 0.000 2.770 1351 H HA -0.148 4.394 4.556 -0.024 0.000 0.309 1351 H C -0.471 174.883 175.328 0.043 0.000 1.206 1351 H CA 0.662 56.772 56.048 0.102 0.000 1.147 1351 H CB -0.957 28.863 29.762 0.096 0.000 1.422 1351 H HN 0.282 nan 8.280 nan 0.000 0.420 1352 Q N 0.389 120.226 119.800 0.062 0.000 2.226 1352 Q HA 0.403 4.728 4.340 -0.025 0.000 0.256 1352 Q C -1.913 174.094 176.000 0.011 0.000 0.962 1352 Q CA -1.884 53.931 55.803 0.020 0.000 0.887 1352 Q CB 1.181 29.894 28.738 -0.042 0.000 1.282 1352 Q HN 0.166 nan 8.270 nan 0.000 0.449 1353 P HA 0.101 nan 4.420 nan 0.000 0.272 1353 P C -0.164 177.112 177.300 -0.039 0.000 1.223 1353 P CA -0.173 62.925 63.100 -0.003 0.000 0.784 1353 P CB 0.555 32.255 31.700 -0.000 0.000 0.923 1354 L N 3.087 124.278 121.223 -0.052 0.000 2.490 1354 L HA 0.121 4.446 4.340 -0.025 0.000 0.274 1354 L C -1.838 174.968 176.870 -0.108 0.000 1.201 1354 L CA -1.590 53.190 54.840 -0.101 0.000 0.869 1354 L CB -0.599 41.393 42.059 -0.112 0.000 1.123 1354 L HN 0.220 nan 8.230 nan 0.000 0.484 1355 P HA -0.058 nan 4.420 nan 0.000 0.266 1355 P C 0.159 177.375 177.300 -0.140 0.000 1.193 1355 P CA 0.160 63.189 63.100 -0.118 0.000 0.770 1355 P CB 0.784 32.377 31.700 -0.178 0.000 0.836 1356 A N 3.194 125.999 122.820 -0.025 0.000 1.917 1356 A HA -0.263 4.042 4.320 -0.025 0.000 0.219 1356 A C 1.865 179.444 177.584 -0.009 0.000 1.182 1356 A CA 2.387 54.422 52.037 -0.005 0.000 0.633 1356 A CB -1.874 17.152 19.000 0.043 0.000 0.819 1356 A HN 0.847 nan 8.150 nan 0.000 0.448 1357 H N -1.171 117.911 119.070 0.019 0.000 2.457 1357 H HA 0.126 4.667 4.556 -0.025 0.000 0.294 1357 H C 1.568 176.963 175.328 0.112 0.000 1.064 1357 H CA 1.315 57.398 56.048 0.058 0.000 1.330 1357 H CB -0.458 29.342 29.762 0.063 0.000 1.395 1357 H HN 0.398 nan 8.280 nan 0.000 0.541 1358 L N 0.227 121.140 121.223 -0.516 0.000 2.044 1358 L HA -0.007 4.318 4.340 -0.025 0.000 0.205 1358 L C 2.711 179.525 176.870 -0.093 0.000 1.075 1358 L CA 1.139 55.805 54.840 -0.290 0.000 0.747 1358 L CB -0.380 41.441 42.059 -0.396 0.000 0.903 1358 L HN 0.223 nan 8.230 nan 0.000 0.435 1359 R N 0.351 120.788 120.500 -0.104 0.000 2.127 1359 R HA -0.173 4.152 4.340 -0.025 0.000 0.238 1359 R C 2.035 178.313 176.300 -0.037 0.000 1.134 1359 R CA 1.280 57.345 56.100 -0.058 0.000 0.975 1359 R CB -0.238 30.030 30.300 -0.053 0.000 0.865 1359 R HN 0.463 nan 8.270 nan 0.000 0.447 1360 E N -0.671 119.506 120.200 -0.038 0.000 2.338 1360 E HA -0.143 4.192 4.350 -0.025 0.000 0.197 1360 E C 0.839 177.334 176.600 -0.175 0.000 1.007 1360 E CA 0.787 57.131 56.400 -0.093 0.000 0.849 1360 E CB 0.053 29.698 29.700 -0.091 0.000 0.774 1360 E HN 0.514 nan 8.360 nan 0.000 0.506 1361 H N -0.970 118.077 119.070 -0.038 0.000 2.526 1361 H HA 0.176 4.718 4.556 -0.024 0.000 0.274 1361 H C 0.779 176.081 175.328 -0.044 0.000 0.999 1361 H CA 0.475 56.503 56.048 -0.033 0.000 1.157 1361 H CB 0.786 30.527 29.762 -0.035 0.000 1.407 1361 H HN 0.236 nan 8.280 nan 0.000 0.568 1362 G N 0.672 109.486 108.800 0.023 0.000 2.171 1362 G HA2 -0.244 3.701 3.960 -0.025 0.000 0.238 1362 G HA3 -0.244 3.701 3.960 -0.025 0.000 0.238 1362 G C -0.271 174.622 174.900 -0.012 0.000 1.039 1362 G CA -0.168 44.930 45.100 -0.003 0.000 0.759 1362 G HN 0.258 nan 8.290 nan 0.000 0.501 1363 L N 0.611 121.823 121.223 -0.018 0.000 2.322 1363 L HA 0.760 5.085 4.340 -0.025 0.000 0.279 1363 L C 0.087 176.930 176.870 -0.044 0.000 1.036 1363 L CA -0.824 53.992 54.840 -0.041 0.000 0.807 1363 L CB 1.606 43.627 42.059 -0.063 0.000 1.226 1363 L HN 0.431 nan 8.230 nan 0.000 0.433 1364 D N -1.177 119.199 120.400 -0.041 0.000 2.579 1364 D HA 0.127 4.752 4.640 -0.025 0.000 0.257 1364 D C 0.290 176.573 176.300 -0.028 0.000 1.176 1364 D CA -0.808 53.172 54.000 -0.033 0.000 0.914 1364 D CB 1.046 41.832 40.800 -0.023 0.000 1.431 1364 D HN 0.500 nan 8.370 nan 0.000 0.454 1365 E N -0.113 120.079 120.200 -0.014 0.000 2.077 1365 E HA -0.228 4.107 4.350 -0.025 0.000 0.193 1365 E C 1.843 178.441 176.600 -0.003 0.000 0.989 1365 E CA 1.325 57.725 56.400 0.001 0.000 0.800 1365 E CB -0.207 29.508 29.700 0.026 0.000 0.746 1365 E HN 0.518 nan 8.360 nan 0.000 0.452 1366 A N 0.852 123.670 122.820 -0.005 0.000 1.933 1366 A HA -0.174 4.131 4.320 -0.025 0.000 0.218 1366 A C 2.167 179.737 177.584 -0.024 0.000 1.175 1366 A CA 1.574 53.605 52.037 -0.009 0.000 0.628 1366 A CB -0.497 18.499 19.000 -0.007 0.000 0.814 1366 A HN 0.309 nan 8.150 nan 0.000 0.444 1367 M N -0.859 118.723 119.600 -0.029 0.000 2.279 1367 M HA -0.046 4.419 4.480 -0.025 0.000 0.264 1367 M C 1.663 177.933 176.300 -0.049 0.000 1.062 1367 M CA 1.127 56.403 55.300 -0.040 0.000 1.099 1367 M CB -0.245 32.330 32.600 -0.043 0.000 1.394 1367 M HN 0.361 nan 8.290 nan 0.000 0.426 1368 L N -1.613 119.582 121.223 -0.047 0.000 2.416 1368 L HA 0.093 4.418 4.340 -0.025 0.000 0.216 1368 L C 1.345 178.171 176.870 -0.072 0.000 1.098 1368 L CA -0.319 54.487 54.840 -0.056 0.000 0.840 1368 L CB -0.052 41.980 42.059 -0.044 0.000 0.981 1368 L HN 0.072 nan 8.230 nan 0.000 0.462 1369 S N 0.747 116.410 115.700 -0.062 0.000 2.564 1369 S HA 0.122 4.577 4.470 -0.025 0.000 0.278 1369 S C -1.268 173.272 174.600 -0.101 0.000 1.333 1369 S CA -1.246 56.911 58.200 -0.071 0.000 1.048 1369 S CB 0.800 63.983 63.200 -0.027 0.000 0.900 1369 S HN -0.007 nan 8.310 nan 0.000 0.505 1370 P HA -0.052 nan 4.420 nan 0.000 0.226 1370 P C 0.869 178.094 177.300 -0.125 0.000 1.153 1370 P CA 0.742 63.719 63.100 -0.204 0.000 0.777 1370 P CB 0.068 31.565 31.700 -0.338 0.000 0.794 1371 R N 0.713 121.177 120.500 -0.060 0.000 2.152 1371 R HA -0.097 4.228 4.340 -0.025 0.000 0.232 1371 R C 2.615 178.891 176.300 -0.040 0.000 1.117 1371 R CA 1.239 57.321 56.100 -0.030 0.000 0.981 1371 R CB -0.607 29.694 30.300 0.002 0.000 0.870 1371 R HN 0.322 nan 8.270 nan 0.000 0.451 1372 R N 0.976 121.446 120.500 -0.051 0.000 2.241 1372 R HA -0.081 4.244 4.340 -0.025 0.000 0.224 1372 R C 1.555 177.822 176.300 -0.054 0.000 1.101 1372 R CA 1.150 57.222 56.100 -0.047 0.000 0.995 1372 R CB -0.443 29.828 30.300 -0.049 0.000 0.870 1372 R HN 0.232 nan 8.270 nan 0.000 0.463 1373 L N 1.636 122.815 121.223 -0.074 0.000 2.478 1373 L HA 0.042 4.367 4.340 -0.025 0.000 0.223 1373 L C 0.738 177.573 176.870 -0.059 0.000 1.140 1373 L CA 0.305 55.099 54.840 -0.077 0.000 0.842 1373 L CB -0.110 41.880 42.059 -0.115 0.000 0.953 1373 L HN 0.272 nan 8.230 nan 0.000 0.452 1374 S N -0.982 114.689 115.700 -0.048 0.000 2.501 1374 S HA 0.744 5.199 4.470 -0.025 0.000 0.301 1374 S C -2.325 172.261 174.600 -0.023 0.000 1.096 1374 S CA -1.183 56.998 58.200 -0.033 0.000 1.063 1374 S CB 1.758 64.942 63.200 -0.027 0.000 1.042 1374 S HN -0.130 nan 8.310 nan 0.000 0.494 1375 P HA 0.000 nan 4.420 nan 0.000 0.216 1375 P CA 0.000 63.092 63.100 -0.013 0.000 0.800 1375 P CB 0.000 31.692 31.700 -0.013 0.000 0.726