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 1rqq_1_A DATA FIRST_RESID 987 DATA SEQUENCE DEWEVSREKI TLLRELGQGS FGMVYEGNAR DIIKGEAETR VAVKTVNESA DATA SEQUENCE SLRERIEFLN EASVMKGFTC HHVVRLLGVV SKGQPTLVVM ELMAHGDLKS DATA SEQUENCE YLRSLRPEAE NNPGRPPPTL QEMIQMAAEI ADGMAYLNAK KFVHRDLAAR DATA SEQUENCE NCMVAHDFTV KIGDFGMTRD IXETDXXRKG GKGLLPVRWM APESLKDGVF DATA SEQUENCE TTSSDMWSFG VVLWEITSLA EQPYQGLSNE QVLKFVMDGG YLDQPDNCPE DATA SEQUENCE RVTDLMRMCW QFNPNMRPTF LEIVNLLKDD LHPSFPEVSF FHSEENK 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 987 D HA 0.000 nan 4.640 nan 0.000 0.175 987 D C 0.000 176.342 176.300 0.070 0.000 2.045 987 D CA 0.000 54.047 54.000 0.079 0.000 0.868 987 D CB 0.000 40.828 40.800 0.047 0.000 0.688 988 E N 0.201 120.439 120.200 0.063 0.000 2.418 988 E HA -0.011 4.339 4.350 0.000 0.000 0.197 988 E C 1.166 177.682 176.600 -0.141 0.000 1.026 988 E CA 0.673 57.034 56.400 -0.065 0.000 0.862 988 E CB -0.837 28.780 29.700 -0.138 0.000 0.799 988 E HN 0.553 nan 8.360 nan 0.000 0.518 989 W N 0.690 121.970 121.300 -0.034 0.000 3.278 989 W HA 0.273 4.933 4.660 -0.000 0.000 0.308 989 W C 0.487 176.988 176.519 -0.031 0.000 1.253 989 W CA -0.554 56.768 57.345 -0.039 0.000 1.759 989 W CB 0.880 30.306 29.460 -0.056 0.000 1.093 989 W HN -0.006 nan 8.180 nan 0.000 0.648 990 E N 0.973 121.269 120.200 0.161 0.000 2.413 990 E HA 0.150 4.500 4.350 0.000 0.000 0.263 990 E C -0.254 176.385 176.600 0.066 0.000 1.015 990 E CA 0.412 56.871 56.400 0.098 0.000 0.916 990 E CB 1.548 31.285 29.700 0.062 0.000 0.947 990 E HN -0.227 nan 8.360 nan 0.000 0.440 991 V N 1.906 121.855 119.914 0.059 0.000 2.841 991 V HA 0.142 4.262 4.120 0.000 0.000 0.310 991 V C -0.167 175.944 176.094 0.030 0.000 1.090 991 V CA -0.964 61.359 62.300 0.040 0.000 0.930 991 V CB 2.318 34.171 31.823 0.049 0.000 1.014 991 V HN 0.586 nan 8.190 nan 0.000 0.425 992 S N 2.832 118.542 115.700 0.018 0.000 2.525 992 S HA 0.083 4.553 4.470 0.000 0.000 0.285 992 S C 1.230 175.838 174.600 0.013 0.000 1.283 992 S CA -0.209 57.998 58.200 0.013 0.000 1.072 992 S CB 0.297 63.501 63.200 0.005 0.000 0.867 992 S HN 0.771 nan 8.310 nan 0.000 0.492 993 R N 2.274 122.782 120.500 0.012 0.000 2.249 993 R HA -0.169 4.171 4.340 0.000 0.000 0.230 993 R C 1.834 178.134 176.300 -0.000 0.000 1.121 993 R CA 1.660 57.765 56.100 0.008 0.000 0.997 993 R CB -0.080 30.224 30.300 0.007 0.000 0.867 993 R HN 0.886 nan 8.270 nan 0.000 0.465 994 E N 0.021 120.220 120.200 -0.001 0.000 2.216 994 E HA -0.138 4.212 4.350 0.000 0.000 0.192 994 E C 1.005 177.602 176.600 -0.005 0.000 0.988 994 E CA 0.688 57.085 56.400 -0.005 0.000 0.834 994 E CB 0.000 29.698 29.700 -0.004 0.000 0.772 994 E HN 0.323 nan 8.360 nan 0.000 0.479 995 K N 0.653 121.052 120.400 -0.001 0.000 2.486 995 K HA 0.089 4.410 4.320 0.000 0.000 0.194 995 K C 0.300 176.900 176.600 -0.000 0.000 1.033 995 K CA 0.304 56.591 56.287 -0.001 0.000 1.004 995 K CB 0.253 32.755 32.500 0.002 0.000 0.798 995 K HN 0.162 nan 8.250 nan 0.000 0.495 996 I N 1.441 122.010 120.570 -0.002 0.000 2.412 996 I HA 0.198 4.369 4.170 0.000 0.000 0.296 996 I C -0.212 175.894 176.117 -0.018 0.000 0.987 996 I CA -0.300 60.998 61.300 -0.004 0.000 1.180 996 I CB 1.621 39.621 38.000 0.001 0.000 1.340 996 I HN -0.187 nan 8.210 nan 0.000 0.455 997 T N 6.330 120.872 114.554 -0.021 0.000 3.011 997 T HA 0.445 4.795 4.350 0.000 0.000 0.303 997 T C -0.451 174.226 174.700 -0.038 0.000 0.997 997 T CA -0.449 61.632 62.100 -0.032 0.000 1.007 997 T CB 1.471 70.326 68.868 -0.022 0.000 1.017 997 T HN 0.078 nan 8.240 nan 0.000 0.443 998 L N 4.258 125.435 121.223 -0.076 0.000 2.331 998 L HA 0.349 4.689 4.340 0.000 0.000 0.278 998 L C 1.090 177.936 176.870 -0.039 0.000 1.106 998 L CA -0.205 54.582 54.840 -0.089 0.000 0.824 998 L CB 0.350 42.248 42.059 -0.270 0.000 1.142 998 L HN 0.557 nan 8.230 nan 0.000 0.443 999 L N 2.830 124.061 121.223 0.012 0.000 2.194 999 L HA 0.236 4.576 4.340 0.000 0.000 0.197 999 L C 1.112 178.014 176.870 0.053 0.000 1.106 999 L CA 1.051 55.906 54.840 0.024 0.000 0.785 999 L CB -0.179 41.895 42.059 0.026 0.000 0.960 999 L HN 0.785 nan 8.230 nan 0.000 0.465 1000 R N -0.478 120.081 120.500 0.098 0.000 3.003 1000 R HA 0.492 4.832 4.340 0.000 0.000 0.251 1000 R C -0.920 175.513 176.300 0.221 0.000 1.265 1000 R CA -0.815 55.359 56.100 0.124 0.000 1.026 1000 R CB 1.233 31.573 30.300 0.066 0.000 1.307 1000 R HN -0.098 nan 8.270 nan 0.000 0.475 1001 E N 0.450 120.731 120.200 0.134 0.000 2.175 1001 E HA 0.234 4.584 4.350 0.000 0.000 0.278 1001 E C 0.168 176.740 176.600 -0.047 0.000 0.969 1001 E CA -0.377 56.021 56.400 -0.002 0.000 0.796 1001 E CB 1.997 31.657 29.700 -0.068 0.000 1.104 1001 E HN 0.425 nan 8.360 nan 0.000 0.395 1002 L N 1.518 122.683 121.223 -0.096 0.000 2.253 1002 L HA 0.280 4.620 4.340 0.000 0.000 0.205 1002 L C 0.975 177.798 176.870 -0.080 0.000 1.078 1002 L CA 0.371 55.174 54.840 -0.062 0.000 0.805 1002 L CB 0.313 42.344 42.059 -0.046 0.000 0.963 1002 L HN 0.626 nan 8.230 nan 0.000 0.459 1003 G N -0.801 107.918 108.800 -0.134 0.000 2.411 1003 G HA2 0.219 4.180 3.960 0.000 0.000 0.295 1003 G HA3 0.219 4.180 3.960 0.000 0.000 0.295 1003 G C -1.993 172.811 174.900 -0.160 0.000 1.542 1003 G CA -0.571 44.459 45.100 -0.115 0.000 0.814 1003 G HN -0.120 nan 8.290 nan 0.000 0.557 1004 Q N -0.027 119.697 119.800 -0.127 0.000 2.243 1004 Q HA 0.613 4.954 4.340 0.000 0.000 0.252 1004 Q C 0.542 176.462 176.000 -0.133 0.000 0.909 1004 Q CA -0.238 55.483 55.803 -0.137 0.000 0.922 1004 Q CB 1.228 29.908 28.738 -0.096 0.000 1.215 1004 Q HN 0.861 nan 8.270 nan 0.000 0.427 1005 G N 0.636 109.333 108.800 -0.172 0.000 2.491 1005 G HA2 0.240 4.200 3.960 0.000 0.000 0.327 1005 G HA3 0.240 4.200 3.960 0.000 0.000 0.327 1005 G C 0.656 175.427 174.900 -0.215 0.000 1.189 1005 G CA -0.111 44.858 45.100 -0.218 0.000 0.956 1005 G HN 0.805 nan 8.290 nan 0.000 0.491 1006 S N -0.796 114.756 115.700 -0.248 0.000 2.419 1006 S HA -0.125 4.345 4.470 0.000 0.000 0.235 1006 S C 1.096 175.689 174.600 -0.011 0.000 1.019 1006 S CA 1.794 59.927 58.200 -0.112 0.000 0.982 1006 S CB -0.446 62.739 63.200 -0.025 0.000 0.789 1006 S HN 1.115 nan 8.310 nan 0.000 0.490 1007 F N -1.529 118.399 119.950 -0.038 0.000 2.802 1007 F HA 0.805 5.333 4.527 0.000 0.000 0.346 1007 F C 0.255 175.999 175.800 -0.093 0.000 1.229 1007 F CA -0.812 57.154 58.000 -0.057 0.000 1.142 1007 F CB 0.374 39.343 39.000 -0.052 0.000 1.146 1007 F HN 0.303 nan 8.300 nan 0.000 0.510 1008 G N 0.641 109.340 108.800 -0.168 0.000 2.550 1008 G HA2 0.552 4.513 3.960 0.000 0.000 0.293 1008 G HA3 0.552 4.513 3.960 0.000 0.000 0.293 1008 G C -2.255 172.547 174.900 -0.163 0.000 1.402 1008 G CA -1.056 43.956 45.100 -0.146 0.000 0.784 1008 G HN 0.162 nan 8.290 nan 0.000 0.482 1009 M N 0.557 120.067 119.600 -0.151 0.000 2.393 1009 M HA 0.733 5.213 4.480 0.000 0.000 0.316 1009 M C -1.243 174.852 176.300 -0.342 0.000 1.087 1009 M CA -0.738 54.388 55.300 -0.291 0.000 0.937 1009 M CB 2.195 34.566 32.600 -0.383 0.000 1.668 1009 M HN 0.348 nan 8.290 nan 0.000 0.438 1010 V N 6.008 125.698 119.914 -0.374 0.000 2.370 1010 V HA 0.467 4.587 4.120 0.000 0.000 0.283 1010 V C -1.143 174.747 176.094 -0.339 0.000 1.023 1010 V CA -0.408 61.753 62.300 -0.231 0.000 0.857 1010 V CB 0.825 32.577 31.823 -0.118 0.000 0.985 1010 V HN 0.799 nan 8.190 nan 0.000 0.443 1011 Y N 2.154 122.455 120.300 0.003 0.000 2.528 1011 Y HA 0.550 5.100 4.550 0.000 0.000 0.335 1011 Y C 0.377 176.278 175.900 0.001 0.000 1.093 1011 Y CA -0.864 57.236 58.100 0.001 0.000 1.134 1011 Y CB 1.463 39.926 38.460 0.005 0.000 1.253 1011 Y HN 0.642 nan 8.280 nan 0.000 0.478 1012 E N 0.553 120.858 120.200 0.176 0.000 2.214 1012 E HA 0.706 5.057 4.350 0.000 0.000 0.274 1012 E C -0.467 176.186 176.600 0.088 0.000 0.977 1012 E CA -0.519 55.935 56.400 0.090 0.000 0.827 1012 E CB 1.360 31.090 29.700 0.049 0.000 1.130 1012 E HN 0.860 nan 8.360 nan 0.000 0.394 1013 G N 2.149 110.979 108.800 0.050 0.000 2.554 1013 G HA2 0.262 4.222 3.960 0.000 0.000 0.306 1013 G HA3 0.262 4.222 3.960 0.000 0.000 0.306 1013 G C -1.539 173.369 174.900 0.013 0.000 1.320 1013 G CA -0.944 44.173 45.100 0.028 0.000 0.800 1013 G HN 0.634 nan 8.290 nan 0.000 0.481 1014 N N -0.747 117.955 118.700 0.004 0.000 2.319 1014 N HA 0.675 5.415 4.740 0.000 0.000 0.305 1014 N C -0.704 174.807 175.510 0.002 0.000 1.103 1014 N CA -0.482 52.568 53.050 -0.000 0.000 0.815 1014 N CB 2.412 40.896 38.487 -0.005 0.000 1.288 1014 N HN 0.783 nan 8.380 nan 0.000 0.493 1015 A N 0.650 123.472 122.820 0.002 0.000 2.353 1015 A HA 0.772 5.092 4.320 0.000 0.000 0.299 1015 A C -0.357 177.227 177.584 0.000 0.000 1.089 1015 A CA -0.642 51.398 52.037 0.006 0.000 0.736 1015 A CB 0.694 19.703 19.000 0.015 0.000 1.195 1015 A HN 0.737 nan 8.150 nan 0.000 0.447 1016 R N 2.166 122.665 120.500 -0.001 0.000 2.308 1016 R HA 0.560 4.901 4.340 0.000 0.000 0.305 1016 R C -0.068 176.229 176.300 -0.006 0.000 1.053 1016 R CA 0.187 56.284 56.100 -0.005 0.000 0.957 1016 R CB -0.575 29.721 30.300 -0.006 0.000 1.022 1016 R HN 0.938 nan 8.270 nan 0.000 0.461 1017 D N 1.113 121.507 120.400 -0.009 0.000 2.708 1017 D HA -0.190 4.450 4.640 0.000 0.000 0.236 1017 D C 0.547 176.839 176.300 -0.014 0.000 1.146 1017 D CA 1.366 55.358 54.000 -0.014 0.000 0.662 1017 D CB -1.167 39.624 40.800 -0.015 0.000 1.059 1017 D HN 0.714 nan 8.370 nan 0.000 0.428 1018 I N -0.782 119.783 120.570 -0.008 0.000 3.228 1018 I HA 0.080 4.250 4.170 0.000 0.000 0.279 1018 I C 0.522 176.630 176.117 -0.014 0.000 1.221 1018 I CA 0.464 61.762 61.300 -0.003 0.000 1.458 1018 I CB 0.481 38.491 38.000 0.016 0.000 1.105 1018 I HN -0.009 nan 8.210 nan 0.000 0.445 1019 I N 1.937 122.498 120.570 -0.016 0.000 2.439 1019 I HA 0.224 4.394 4.170 0.000 0.000 0.285 1019 I C 0.352 176.452 176.117 -0.027 0.000 1.021 1019 I CA -0.652 60.634 61.300 -0.023 0.000 1.091 1019 I CB 1.443 39.436 38.000 -0.012 0.000 1.242 1019 I HN -0.138 nan 8.210 nan 0.000 0.439 1020 K N 4.176 124.553 120.400 -0.037 0.000 2.491 1020 K HA 0.384 4.704 4.320 0.000 0.000 0.279 1020 K C 1.098 177.683 176.600 -0.026 0.000 1.026 1020 K CA 0.646 56.913 56.287 -0.034 0.000 1.070 1020 K CB -0.372 32.104 32.500 -0.042 0.000 0.887 1020 K HN 1.174 nan 8.250 nan 0.000 0.481 1021 G N 0.849 109.636 108.800 -0.022 0.000 2.201 1021 G HA2 -0.158 3.802 3.960 0.000 0.000 0.212 1021 G HA3 -0.158 3.802 3.960 0.000 0.000 0.212 1021 G C -0.053 174.838 174.900 -0.016 0.000 0.994 1021 G CA 0.221 45.310 45.100 -0.018 0.000 0.644 1021 G HN 0.762 nan 8.290 nan 0.000 0.508 1022 E N -0.115 120.075 120.200 -0.016 0.000 2.224 1022 E HA 0.665 5.016 4.350 0.000 0.000 0.265 1022 E C 1.051 177.643 176.600 -0.014 0.000 0.878 1022 E CA -0.162 56.229 56.400 -0.015 0.000 0.759 1022 E CB 1.725 31.416 29.700 -0.015 0.000 1.164 1022 E HN 0.337 nan 8.360 nan 0.000 0.414 1023 A N 4.103 126.916 122.820 -0.013 0.000 1.835 1023 A HA -0.130 4.191 4.320 0.000 0.000 0.215 1023 A C 0.614 178.192 177.584 -0.011 0.000 1.199 1023 A CA 1.294 53.324 52.037 -0.012 0.000 0.615 1023 A CB -0.210 18.784 19.000 -0.011 0.000 0.838 1023 A HN 0.696 nan 8.150 nan 0.000 0.444 1024 E N -1.632 118.561 120.200 -0.011 0.000 2.293 1024 E HA 0.619 4.969 4.350 0.000 0.000 0.270 1024 E C -1.529 175.063 176.600 -0.013 0.000 0.879 1024 E CA -0.830 55.563 56.400 -0.010 0.000 0.756 1024 E CB 1.732 31.426 29.700 -0.010 0.000 1.208 1024 E HN 0.018 nan 8.360 nan 0.000 0.428 1025 T N 1.487 116.035 114.554 -0.010 0.000 2.848 1025 T HA 0.367 4.717 4.350 0.000 0.000 0.285 1025 T C -0.564 174.128 174.700 -0.012 0.000 0.995 1025 T CA -0.839 61.253 62.100 -0.014 0.000 0.970 1025 T CB 1.267 70.130 68.868 -0.009 0.000 0.976 1025 T HN 0.369 nan 8.240 nan 0.000 0.441 1026 R N 2.677 123.164 120.500 -0.022 0.000 2.401 1026 R HA 0.509 4.849 4.340 0.000 0.000 0.299 1026 R C -0.324 175.967 176.300 -0.014 0.000 1.064 1026 R CA -0.174 55.914 56.100 -0.020 0.000 1.000 1026 R CB -0.364 29.915 30.300 -0.034 0.000 0.973 1026 R HN 0.605 nan 8.270 nan 0.000 0.438 1027 V N 0.322 120.237 119.914 0.002 0.000 3.156 1027 V HA 0.962 5.082 4.120 0.000 0.000 0.310 1027 V C -0.809 175.300 176.094 0.026 0.000 1.234 1027 V CA -0.950 61.357 62.300 0.013 0.000 1.065 1027 V CB 1.772 33.609 31.823 0.024 0.000 1.088 1027 V HN 0.800 nan 8.190 nan 0.000 0.451 1028 A N 0.411 123.251 122.820 0.033 0.000 2.325 1028 A HA 0.910 5.230 4.320 0.000 0.000 0.333 1028 A C -0.768 176.859 177.584 0.072 0.000 1.155 1028 A CA -0.709 51.356 52.037 0.048 0.000 0.814 1028 A CB 1.617 20.635 19.000 0.030 0.000 1.206 1028 A HN 1.534 nan 8.150 nan 0.000 0.482 1029 V N 2.714 122.696 119.914 0.114 0.000 2.482 1029 V HA 0.312 4.432 4.120 0.000 0.000 0.295 1029 V C -0.150 176.059 176.094 0.191 0.000 1.026 1029 V CA -0.672 61.717 62.300 0.148 0.000 0.856 1029 V CB 1.518 33.437 31.823 0.159 0.000 1.001 1029 V HN 0.922 nan 8.190 nan 0.000 0.424 1030 K N 2.757 123.270 120.400 0.188 0.000 2.143 1030 K HA 0.759 5.080 4.320 0.000 0.000 0.272 1030 K C 0.105 176.901 176.600 0.327 0.000 1.001 1030 K CA -0.285 56.143 56.287 0.236 0.000 0.915 1030 K CB 1.815 34.485 32.500 0.282 0.000 1.047 1030 K HN 0.922 nan 8.250 nan 0.000 0.458 1031 T N -2.227 112.431 114.554 0.172 0.000 2.838 1031 T HA 0.524 4.874 4.350 0.000 0.000 0.292 1031 T C -0.776 173.756 174.700 -0.280 0.000 1.113 1031 T CA -0.842 61.263 62.100 0.007 0.000 1.008 1031 T CB 1.371 70.320 68.868 0.134 0.000 1.259 1031 T HN 0.166 nan 8.240 nan 0.000 0.520 1032 V N 2.082 121.776 119.914 -0.365 0.000 2.604 1032 V HA 0.456 4.577 4.120 0.000 0.000 0.305 1032 V C -0.295 175.737 176.094 -0.103 0.000 1.043 1032 V CA -1.129 60.992 62.300 -0.298 0.000 0.888 1032 V CB 1.845 33.372 31.823 -0.493 0.000 0.995 1032 V HN 0.896 nan 8.190 nan 0.000 0.429 1033 N N 3.302 121.989 118.700 -0.022 0.000 2.479 1033 N HA 0.159 4.899 4.740 0.000 0.000 0.257 1033 N C 1.313 176.813 175.510 -0.016 0.000 1.232 1033 N CA 0.630 53.678 53.050 -0.002 0.000 0.920 1033 N CB 1.170 39.671 38.487 0.023 0.000 1.105 1033 N HN 0.875 nan 8.380 nan 0.000 0.444 1034 E N 0.900 121.094 120.200 -0.010 0.000 2.118 1034 E HA -0.197 4.154 4.350 0.000 0.000 0.195 1034 E C 1.635 178.225 176.600 -0.017 0.000 0.992 1034 E CA 1.864 58.255 56.400 -0.015 0.000 0.804 1034 E CB -0.731 28.965 29.700 -0.007 0.000 0.741 1034 E HN 0.670 nan 8.360 nan 0.000 0.458 1035 S N -0.329 115.366 115.700 -0.009 0.000 2.660 1035 S HA 0.510 4.980 4.470 0.000 0.000 0.228 1035 S C 1.152 175.741 174.600 -0.019 0.000 0.966 1035 S CA 0.323 58.517 58.200 -0.010 0.000 0.940 1035 S CB -0.513 62.687 63.200 -0.000 0.000 0.773 1035 S HN 0.920 nan 8.310 nan 0.000 0.535 1036 A N 2.368 125.171 122.820 -0.029 0.000 2.440 1036 A HA 0.556 4.877 4.320 0.000 0.000 0.251 1036 A C 0.775 178.295 177.584 -0.106 0.000 1.089 1036 A CA -0.161 51.836 52.037 -0.066 0.000 0.779 1036 A CB 0.107 19.062 19.000 -0.074 0.000 1.022 1036 A HN 0.745 nan 8.150 nan 0.000 0.492 1037 S N 2.572 118.187 115.700 -0.142 0.000 2.600 1037 S HA 0.224 4.694 4.470 0.000 0.000 0.265 1037 S C 1.208 175.718 174.600 -0.150 0.000 1.325 1037 S CA -0.230 57.894 58.200 -0.127 0.000 1.002 1037 S CB 0.539 63.667 63.200 -0.121 0.000 0.921 1037 S HN 0.842 nan 8.310 nan 0.000 0.554 1038 L N 0.951 122.113 121.223 -0.101 0.000 2.012 1038 L HA -0.159 4.181 4.340 0.000 0.000 0.210 1038 L C 2.970 179.776 176.870 -0.107 0.000 1.073 1038 L CA 1.970 56.760 54.840 -0.084 0.000 0.748 1038 L CB -0.466 41.560 42.059 -0.054 0.000 0.891 1038 L HN 0.964 nan 8.230 nan 0.000 0.431 1039 R N 0.039 120.468 120.500 -0.118 0.000 2.105 1039 R HA -0.231 4.110 4.340 0.000 0.000 0.239 1039 R C 1.919 178.097 176.300 -0.203 0.000 1.135 1039 R CA 2.033 58.059 56.100 -0.123 0.000 0.967 1039 R CB -0.142 30.095 30.300 -0.105 0.000 0.861 1039 R HN 0.540 nan 8.270 nan 0.000 0.442 1040 E N -0.515 119.473 120.200 -0.353 0.000 2.158 1040 E HA -0.094 4.256 4.350 0.000 0.000 0.191 1040 E C 2.178 178.464 176.600 -0.523 0.000 0.982 1040 E CA 0.659 56.606 56.400 -0.755 0.000 0.823 1040 E CB 0.142 29.113 29.700 -1.214 0.000 0.766 1040 E HN 0.324 nan 8.360 nan 0.000 0.468 1041 R N 0.440 120.787 120.500 -0.254 0.000 2.075 1041 R HA -0.048 4.292 4.340 0.000 0.000 0.232 1041 R C 2.316 178.662 176.300 0.077 0.000 1.126 1041 R CA 0.986 57.064 56.100 -0.037 0.000 0.963 1041 R CB -0.182 30.099 30.300 -0.032 0.000 0.858 1041 R HN 0.174 nan 8.270 nan 0.000 0.435 1042 I N 0.566 121.134 120.570 -0.003 0.000 2.226 1042 I HA -0.269 3.902 4.170 0.000 0.000 0.245 1042 I C 2.555 178.692 176.117 0.033 0.000 1.100 1042 I CA 1.331 62.638 61.300 0.012 0.000 1.374 1042 I CB -0.302 37.687 38.000 -0.019 0.000 1.057 1042 I HN 0.297 nan 8.210 nan 0.000 0.413 1043 E N 1.090 121.305 120.200 0.025 0.000 2.051 1043 E HA -0.288 4.062 4.350 0.000 0.000 0.192 1043 E C 2.225 178.934 176.600 0.181 0.000 0.991 1043 E CA 1.459 57.906 56.400 0.079 0.000 0.799 1043 E CB -0.185 29.564 29.700 0.083 0.000 0.748 1043 E HN 0.385 nan 8.360 nan 0.000 0.449 1044 F N 1.311 121.332 119.950 0.118 0.000 2.126 1044 F HA -0.183 4.344 4.527 0.000 0.000 0.299 1044 F C 1.833 177.668 175.800 0.058 0.000 1.096 1044 F CA 1.491 59.595 58.000 0.173 0.000 1.255 1044 F CB -0.189 38.959 39.000 0.247 0.000 0.997 1044 F HN 0.020 nan 8.300 nan 0.000 0.479 1045 L N 0.067 121.302 121.223 0.021 0.000 2.291 1045 L HA -0.163 4.177 4.340 0.000 0.000 0.214 1045 L C 2.121 178.899 176.870 -0.153 0.000 1.120 1045 L CA 1.285 56.044 54.840 -0.135 0.000 0.799 1045 L CB -0.849 41.207 42.059 -0.005 0.000 0.925 1045 L HN 0.265 nan 8.230 nan 0.000 0.446 1046 N N 0.545 119.195 118.700 -0.082 0.000 2.106 1046 N HA -0.251 4.489 4.740 0.000 0.000 0.188 1046 N C 1.819 177.246 175.510 -0.138 0.000 1.029 1046 N CA 1.437 54.436 53.050 -0.085 0.000 0.848 1046 N CB 0.047 38.516 38.487 -0.029 0.000 1.007 1046 N HN 0.290 nan 8.380 nan 0.000 0.423 1047 E N -0.322 119.810 120.200 -0.114 0.000 2.058 1047 E HA -0.229 4.122 4.350 0.000 0.000 0.194 1047 E C 1.794 178.245 176.600 -0.248 0.000 0.997 1047 E CA 1.353 57.694 56.400 -0.097 0.000 0.801 1047 E CB -0.310 29.370 29.700 -0.033 0.000 0.746 1047 E HN 0.478 nan 8.360 nan 0.000 0.450 1048 A N 0.520 123.133 122.820 -0.344 0.000 1.858 1048 A HA -0.207 4.113 4.320 0.000 0.000 0.216 1048 A C 2.405 179.706 177.584 -0.473 0.000 1.190 1048 A CA 1.952 53.733 52.037 -0.428 0.000 0.617 1048 A CB -1.074 17.651 19.000 -0.458 0.000 0.827 1048 A HN 0.357 nan 8.150 nan 0.000 0.443 1049 S N -0.582 114.893 115.700 -0.376 0.000 2.359 1049 S HA -0.197 4.273 4.470 0.000 0.000 0.223 1049 S C 2.076 176.398 174.600 -0.464 0.000 1.039 1049 S CA 2.438 60.427 58.200 -0.351 0.000 1.042 1049 S CB -0.834 62.239 63.200 -0.212 0.000 0.915 1049 S HN 1.037 nan 8.310 nan 0.000 0.439 1050 V N -0.223 119.383 119.914 -0.514 0.000 2.515 1050 V HA -0.054 4.066 4.120 0.000 0.000 0.250 1050 V C 2.135 177.366 176.094 -1.439 0.000 1.058 1050 V CA 1.942 63.727 62.300 -0.858 0.000 1.064 1050 V CB -0.925 30.405 31.823 -0.821 0.000 0.675 1050 V HN 0.489 nan 8.190 nan 0.000 0.461 1051 M N -0.080 118.844 119.600 -1.127 0.000 2.279 1051 M HA -0.099 4.381 4.480 0.000 0.000 0.264 1051 M C 2.263 177.989 176.300 -0.957 0.000 1.062 1051 M CA 1.736 56.357 55.300 -1.132 0.000 1.099 1051 M CB -0.458 31.736 32.600 -0.676 0.000 1.394 1051 M HN 0.323 nan 8.290 nan 0.000 0.426 1052 K N 0.051 119.902 120.400 -0.915 0.000 2.113 1052 K HA -0.130 4.190 4.320 0.000 0.000 0.208 1052 K C 1.794 178.214 176.600 -0.299 0.000 1.047 1052 K CA 1.331 57.135 56.287 -0.805 0.000 0.928 1052 K CB -0.414 31.657 32.500 -0.715 0.000 0.716 1052 K HN 0.457 nan 8.250 nan 0.000 0.446 1053 G N 0.181 108.720 108.800 -0.435 0.000 3.141 1053 G HA2 0.045 4.005 3.960 0.000 0.000 0.218 1053 G HA3 0.045 4.005 3.960 0.000 0.000 0.218 1053 G C -0.166 174.823 174.900 0.148 0.000 1.170 1053 G CA -0.263 44.768 45.100 -0.116 0.000 0.769 1053 G HN -0.037 nan 8.290 nan 0.000 0.546 1054 F N 0.550 120.477 119.950 -0.038 0.000 2.422 1054 F HA 0.584 5.111 4.527 0.000 0.000 0.333 1054 F C 0.215 176.043 175.800 0.046 0.000 1.095 1054 F CA -1.698 56.349 58.000 0.079 0.000 1.038 1054 F CB 1.923 40.875 39.000 -0.081 0.000 1.156 1054 F HN -0.274 nan 8.300 nan 0.000 0.483 1055 T N 1.603 116.285 114.554 0.213 0.000 3.201 1055 T HA 0.342 4.692 4.350 0.000 0.000 0.338 1055 T C -1.274 173.213 174.700 -0.355 0.000 1.095 1055 T CA -0.386 61.713 62.100 -0.001 0.000 1.426 1055 T CB 0.526 69.451 68.868 0.095 0.000 0.956 1055 T HN 0.733 nan 8.240 nan 0.000 0.551 1056 C N 2.205 121.244 119.300 -0.434 0.000 2.686 1056 C HA 0.509 4.969 4.460 0.000 0.000 0.318 1056 C C 1.567 176.407 174.990 -0.250 0.000 1.160 1056 C CA -0.473 58.221 59.018 -0.540 0.000 1.396 1056 C CB 0.789 27.903 27.740 -1.043 0.000 1.924 1056 C HN 1.075 nan 8.230 nan 0.000 0.471 1057 H N 1.437 120.317 119.070 -0.317 0.000 2.489 1057 H HA -0.011 4.545 4.556 0.000 0.000 0.293 1057 H C 1.015 176.140 175.328 -0.339 0.000 1.066 1057 H CA 2.162 58.008 56.048 -0.336 0.000 1.305 1057 H CB -0.009 29.476 29.762 -0.462 0.000 1.386 1057 H HN 0.856 nan 8.280 nan 0.000 0.551 1058 H N -1.250 117.777 119.070 -0.071 0.000 2.487 1058 H HA 0.363 4.919 4.556 0.000 0.000 0.290 1058 H C -0.772 174.528 175.328 -0.047 0.000 1.081 1058 H CA -0.242 55.771 56.048 -0.058 0.000 1.116 1058 H CB 0.687 30.484 29.762 0.058 0.000 1.560 1058 H HN 0.004 nan 8.280 nan 0.000 0.548 1059 V N 1.379 121.292 119.914 -0.001 0.000 2.577 1059 V HA 0.106 4.227 4.120 0.000 0.000 0.303 1059 V C 0.100 176.239 176.094 0.074 0.000 1.042 1059 V CA -1.135 61.211 62.300 0.076 0.000 0.872 1059 V CB 2.276 34.101 31.823 0.004 0.000 0.998 1059 V HN 0.001 nan 8.190 nan 0.000 0.423 1060 V N 4.960 124.970 119.914 0.161 0.000 2.644 1060 V HA 0.024 4.144 4.120 0.000 0.000 0.305 1060 V C 0.828 176.982 176.094 0.101 0.000 1.053 1060 V CA 0.443 62.813 62.300 0.118 0.000 1.186 1060 V CB 0.191 32.109 31.823 0.160 0.000 0.895 1060 V HN 0.865 nan 8.190 nan 0.000 0.490 1061 R N 4.055 124.580 120.500 0.042 0.000 2.349 1061 R HA 0.447 4.787 4.340 0.000 0.000 0.299 1061 R C -0.646 175.664 176.300 0.017 0.000 1.027 1061 R CA -0.914 55.204 56.100 0.030 0.000 0.958 1061 R CB 1.050 31.370 30.300 0.034 0.000 1.047 1061 R HN 0.580 nan 8.270 nan 0.000 0.468 1062 L N 5.325 126.525 121.223 -0.039 0.000 2.331 1062 L HA 0.182 4.522 4.340 0.000 0.000 0.278 1062 L C 0.016 176.952 176.870 0.109 0.000 1.106 1062 L CA 0.456 55.230 54.840 -0.111 0.000 0.824 1062 L CB 1.099 42.883 42.059 -0.459 0.000 1.142 1062 L HN 0.824 nan 8.230 nan 0.000 0.443 1063 L N 4.030 125.335 121.223 0.137 0.000 2.500 1063 L HA 0.533 4.874 4.340 0.000 0.000 0.219 1063 L C 0.873 177.945 176.870 0.337 0.000 1.057 1063 L CA 0.416 55.403 54.840 0.244 0.000 0.854 1063 L CB 0.246 42.376 42.059 0.119 0.000 1.078 1063 L HN 0.824 nan 8.230 nan 0.000 0.480 1064 G N -0.728 108.221 108.800 0.247 0.000 2.356 1064 G HA2 0.484 4.444 3.960 0.000 0.000 0.294 1064 G HA3 0.484 4.444 3.960 0.000 0.000 0.294 1064 G C -2.042 172.931 174.900 0.121 0.000 1.423 1064 G CA -0.416 44.845 45.100 0.268 0.000 0.806 1064 G HN -0.282 nan 8.290 nan 0.000 0.527 1065 V N -0.754 119.234 119.914 0.124 0.000 2.971 1065 V HA 0.712 4.832 4.120 0.000 0.000 0.309 1065 V C -0.603 175.534 176.094 0.070 0.000 1.130 1065 V CA -0.773 61.561 62.300 0.058 0.000 0.964 1065 V CB 2.123 33.952 31.823 0.010 0.000 1.029 1065 V HN 0.823 nan 8.190 nan 0.000 0.427 1066 V N 2.106 122.059 119.914 0.065 0.000 2.357 1066 V HA 0.354 4.474 4.120 0.000 0.000 0.281 1066 V C 0.673 176.808 176.094 0.069 0.000 1.015 1066 V CA 0.284 62.622 62.300 0.062 0.000 0.827 1066 V CB 1.178 33.036 31.823 0.058 0.000 1.018 1066 V HN 0.986 nan 8.190 nan 0.000 0.432 1067 S N 3.301 119.036 115.700 0.057 0.000 2.497 1067 S HA 0.147 4.617 4.470 0.000 0.000 0.221 1067 S C 1.383 176.011 174.600 0.046 0.000 1.037 1067 S CA 0.641 58.876 58.200 0.058 0.000 0.920 1067 S CB -0.005 63.222 63.200 0.046 0.000 0.800 1067 S HN 0.852 nan 8.310 nan 0.000 0.505 1068 K N 1.765 122.187 120.400 0.038 0.000 2.366 1068 K HA 0.478 4.798 4.320 0.000 0.000 0.279 1068 K C 0.707 177.323 176.600 0.026 0.000 1.098 1068 K CA 0.399 56.702 56.287 0.028 0.000 1.087 1068 K CB -1.648 30.866 32.500 0.023 0.000 0.901 1068 K HN 1.230 nan 8.250 nan 0.000 0.463 1069 G N 0.124 108.939 108.800 0.024 0.000 2.825 1069 G HA2 0.344 4.304 3.960 0.000 0.000 0.686 1069 G HA3 0.344 4.304 3.960 0.000 0.000 0.686 1069 G C 0.053 174.968 174.900 0.025 0.000 1.362 1069 G CA 0.250 45.362 45.100 0.020 0.000 0.975 1069 G HN 1.923 nan 8.290 nan 0.000 0.594 1070 Q N 3.040 122.853 119.800 0.021 0.000 2.382 1070 Q HA 0.778 5.118 4.340 0.000 0.000 0.229 1070 Q C -0.635 175.373 176.000 0.014 0.000 1.006 1070 Q CA -0.468 55.348 55.803 0.022 0.000 0.916 1070 Q CB -0.113 28.633 28.738 0.014 0.000 1.235 1070 Q HN 1.174 nan 8.270 nan 0.000 0.512 1071 P HA 0.285 nan 4.420 nan 0.000 0.277 1071 P C -0.735 176.596 177.300 0.053 0.000 1.240 1071 P CA -0.238 62.874 63.100 0.020 0.000 0.798 1071 P CB 0.884 32.590 31.700 0.010 0.000 0.979 1072 T N 2.165 116.770 114.554 0.085 0.000 2.907 1072 T HA 0.384 4.734 4.350 0.000 0.000 0.298 1072 T C 0.177 175.022 174.700 0.242 0.000 1.017 1072 T CA -0.088 62.116 62.100 0.174 0.000 1.118 1072 T CB 0.010 69.046 68.868 0.279 0.000 0.948 1072 T HN 0.214 nan 8.240 nan 0.000 0.531 1073 L N 2.997 124.347 121.223 0.210 0.000 2.362 1073 L HA 0.608 4.948 4.340 0.000 0.000 0.275 1073 L C -0.660 176.309 176.870 0.165 0.000 0.998 1073 L CA -1.136 53.829 54.840 0.209 0.000 0.820 1073 L CB 1.904 44.033 42.059 0.117 0.000 1.270 1073 L HN 0.299 nan 8.230 nan 0.000 0.415 1074 V N 4.018 124.038 119.914 0.177 0.000 2.328 1074 V HA 0.335 4.455 4.120 0.000 0.000 0.278 1074 V C 0.035 176.156 176.094 0.045 0.000 1.021 1074 V CA -0.613 61.696 62.300 0.015 0.000 0.838 1074 V CB 1.830 33.567 31.823 -0.142 0.000 0.999 1074 V HN 0.449 nan 8.190 nan 0.000 0.447 1075 V N 7.195 127.127 119.914 0.031 0.000 2.407 1075 V HA 0.620 4.740 4.120 0.000 0.000 0.278 1075 V C 0.123 176.236 176.094 0.031 0.000 1.037 1075 V CA -0.322 62.006 62.300 0.046 0.000 0.900 1075 V CB 1.056 32.915 31.823 0.060 0.000 0.983 1075 V HN 0.969 nan 8.190 nan 0.000 0.459 1076 M N 2.283 121.902 119.600 0.032 0.000 2.744 1076 M HA 0.711 5.191 4.480 0.000 0.000 0.283 1076 M C -0.368 175.949 176.300 0.029 0.000 1.275 1076 M CA -0.954 54.362 55.300 0.026 0.000 0.796 1076 M CB 1.927 34.538 32.600 0.018 0.000 1.739 1076 M HN 0.647 nan 8.290 nan 0.000 0.454 1077 E N 1.195 121.410 120.200 0.025 0.000 2.398 1077 E HA 0.316 4.666 4.350 0.000 0.000 0.263 1077 E C -1.231 175.372 176.600 0.004 0.000 1.046 1077 E CA -0.720 55.687 56.400 0.011 0.000 0.908 1077 E CB 1.023 30.726 29.700 0.004 0.000 0.963 1077 E HN 0.603 nan 8.360 nan 0.000 0.431 1078 L N 3.913 125.130 121.223 -0.010 0.000 2.313 1078 L HA 0.174 4.514 4.340 0.000 0.000 0.282 1078 L C -0.622 176.233 176.870 -0.026 0.000 1.092 1078 L CA -0.126 54.703 54.840 -0.018 0.000 0.831 1078 L CB 0.880 42.920 42.059 -0.032 0.000 1.159 1078 L HN 0.663 nan 8.230 nan 0.000 0.442 1079 M N 5.819 125.408 119.600 -0.019 0.000 2.589 1079 M HA 0.249 4.730 4.480 0.000 0.000 0.340 1079 M C 1.342 177.618 176.300 -0.040 0.000 1.308 1079 M CA -0.164 55.126 55.300 -0.018 0.000 1.332 1079 M CB -0.044 32.552 32.600 -0.006 0.000 1.219 1079 M HN 0.812 nan 8.290 nan 0.000 0.467 1080 A N 2.051 124.828 122.820 -0.072 0.000 1.971 1080 A HA -0.193 4.127 4.320 0.000 0.000 0.222 1080 A C 1.518 178.937 177.584 -0.275 0.000 1.182 1080 A CA 1.770 53.705 52.037 -0.170 0.000 0.649 1080 A CB -0.620 18.262 19.000 -0.197 0.000 0.818 1080 A HN 0.771 nan 8.150 nan 0.000 0.458 1081 H N -0.880 118.132 119.070 -0.096 0.000 2.507 1081 H HA 0.342 4.899 4.556 0.000 0.000 0.294 1081 H C 1.564 176.888 175.328 -0.008 0.000 1.064 1081 H CA 0.419 56.427 56.048 -0.068 0.000 1.138 1081 H CB -0.547 29.092 29.762 -0.205 0.000 1.515 1081 H HN 0.676 nan 8.280 nan 0.000 0.547 1082 G N 2.067 110.900 108.800 0.056 0.000 2.578 1082 G HA2 -0.284 3.676 3.960 0.000 0.000 0.275 1082 G HA3 -0.284 3.676 3.960 0.000 0.000 0.275 1082 G C -0.004 174.932 174.900 0.060 0.000 1.271 1082 G CA 0.097 45.229 45.100 0.054 0.000 0.941 1082 G HN 0.533 nan 8.290 nan 0.000 0.564 1083 D N 0.175 120.615 120.400 0.065 0.000 2.313 1083 D HA 0.305 4.945 4.640 0.000 0.000 0.247 1083 D C 1.665 178.035 176.300 0.117 0.000 1.094 1083 D CA -0.237 53.800 54.000 0.062 0.000 0.925 1083 D CB 1.698 42.522 40.800 0.041 0.000 1.188 1083 D HN 0.511 nan 8.370 nan 0.000 0.430 1084 L N 1.996 123.279 121.223 0.101 0.000 2.042 1084 L HA -0.195 4.145 4.340 0.000 0.000 0.210 1084 L C 2.493 179.476 176.870 0.189 0.000 1.076 1084 L CA 1.913 56.846 54.840 0.155 0.000 0.749 1084 L CB -0.781 41.343 42.059 0.108 0.000 0.893 1084 L HN 0.630 nan 8.230 nan 0.000 0.432 1085 K N -1.025 119.458 120.400 0.139 0.000 1.991 1085 K HA -0.196 4.124 4.320 0.000 0.000 0.212 1085 K C 2.132 178.807 176.600 0.125 0.000 1.049 1085 K CA 1.969 58.337 56.287 0.134 0.000 0.932 1085 K CB -0.310 32.267 32.500 0.128 0.000 0.717 1085 K HN 0.365 nan 8.250 nan 0.000 0.441 1086 S N -0.112 115.662 115.700 0.124 0.000 2.383 1086 S HA -0.191 4.280 4.470 0.000 0.000 0.229 1086 S C 1.631 176.315 174.600 0.140 0.000 1.030 1086 S CA 1.474 59.742 58.200 0.114 0.000 1.002 1086 S CB -0.488 62.778 63.200 0.109 0.000 0.829 1086 S HN 0.447 nan 8.310 nan 0.000 0.467 1087 Y N 2.051 122.390 120.300 0.064 0.000 2.163 1087 Y HA -0.053 4.498 4.550 0.000 0.000 0.288 1087 Y C 1.898 177.820 175.900 0.037 0.000 1.136 1087 Y CA 1.255 59.397 58.100 0.071 0.000 1.147 1087 Y CB -0.467 38.047 38.460 0.091 0.000 0.987 1087 Y HN 0.143 nan 8.280 nan 0.000 0.509 1088 L N -0.166 121.084 121.223 0.046 0.000 2.079 1088 L HA -0.254 4.086 4.340 0.000 0.000 0.210 1088 L C 2.564 179.371 176.870 -0.104 0.000 1.081 1088 L CA 1.571 56.374 54.840 -0.061 0.000 0.752 1088 L CB -0.511 41.564 42.059 0.027 0.000 0.896 1088 L HN 0.179 nan 8.230 nan 0.000 0.433 1089 R N -0.298 120.175 120.500 -0.044 0.000 2.148 1089 R HA -0.113 4.227 4.340 0.000 0.000 0.227 1089 R C 2.585 178.840 176.300 -0.074 0.000 1.103 1089 R CA 1.412 57.486 56.100 -0.043 0.000 0.983 1089 R CB -0.305 29.997 30.300 0.003 0.000 0.874 1089 R HN 0.473 nan 8.270 nan 0.000 0.451 1090 S N 0.956 116.592 115.700 -0.107 0.000 2.399 1090 S HA -0.073 4.398 4.470 0.000 0.000 0.231 1090 S C 1.921 176.426 174.600 -0.159 0.000 1.022 1090 S CA 0.832 58.962 58.200 -0.116 0.000 0.983 1090 S CB -0.272 62.851 63.200 -0.128 0.000 0.803 1090 S HN 0.263 nan 8.310 nan 0.000 0.480 1091 L N 0.755 121.842 121.223 -0.227 0.000 2.552 1091 L HA 0.124 4.464 4.340 0.000 0.000 0.227 1091 L C 0.982 177.771 176.870 -0.135 0.000 1.146 1091 L CA 0.086 54.801 54.840 -0.208 0.000 0.858 1091 L CB -0.373 41.527 42.059 -0.264 0.000 0.969 1091 L HN 0.175 nan 8.230 nan 0.000 0.451 1092 R N 1.473 121.908 120.500 -0.108 0.000 2.570 1092 R HA 0.007 4.347 4.340 0.000 0.000 0.277 1092 R C -1.276 174.982 176.300 -0.070 0.000 1.039 1092 R CA -1.006 55.045 56.100 -0.082 0.000 1.065 1092 R CB -0.012 30.250 30.300 -0.063 0.000 0.964 1092 R HN -0.017 nan 8.270 nan 0.000 0.428 1093 P HA -0.200 nan 4.420 nan 0.000 0.215 1093 P C 1.104 178.379 177.300 -0.041 0.000 1.153 1093 P CA 1.915 64.984 63.100 -0.052 0.000 0.853 1093 P CB 0.184 31.856 31.700 -0.047 0.000 0.788 1094 E N 0.406 120.584 120.200 -0.037 0.000 2.338 1094 E HA 0.121 4.472 4.350 0.000 0.000 0.197 1094 E C 1.457 178.042 176.600 -0.024 0.000 1.007 1094 E CA 0.588 56.972 56.400 -0.027 0.000 0.849 1094 E CB -1.295 28.391 29.700 -0.024 0.000 0.774 1094 E HN 0.521 nan 8.360 nan 0.000 0.506 1095 A N 0.599 123.400 122.820 -0.031 0.000 2.572 1095 A HA 0.373 4.693 4.320 0.000 0.000 0.256 1095 A C 1.665 179.237 177.584 -0.019 0.000 1.041 1095 A CA 0.933 52.954 52.037 -0.027 0.000 0.790 1095 A CB -0.664 18.312 19.000 -0.041 0.000 0.947 1095 A HN 0.776 nan 8.150 nan 0.000 0.518 1096 E N 2.870 123.064 120.200 -0.010 0.000 2.160 1096 E HA -0.241 4.109 4.350 0.000 0.000 0.195 1096 E C 1.107 177.707 176.600 -0.001 0.000 0.991 1096 E CA 1.554 57.952 56.400 -0.004 0.000 0.810 1096 E CB -0.720 28.980 29.700 0.001 0.000 0.742 1096 E HN 0.979 nan 8.360 nan 0.000 0.466 1097 N N 0.442 119.142 118.700 -0.001 0.000 2.279 1097 N HA -0.026 4.714 4.740 0.000 0.000 0.226 1097 N C -0.002 175.506 175.510 -0.002 0.000 1.126 1097 N CA -0.253 52.801 53.050 0.007 0.000 0.846 1097 N CB -0.445 38.052 38.487 0.018 0.000 1.050 1097 N HN 0.249 nan 8.380 nan 0.000 0.502 1098 N N 3.167 121.857 118.700 -0.018 0.000 2.359 1098 N HA -0.015 4.725 4.740 0.000 0.000 0.261 1098 N C -1.120 174.379 175.510 -0.018 0.000 1.267 1098 N CA -0.591 52.438 53.050 -0.036 0.000 0.864 1098 N CB 1.269 39.732 38.487 -0.040 0.000 1.063 1098 N HN 0.173 nan 8.380 nan 0.000 0.474 1099 P HA 0.030 nan 4.420 nan 0.000 0.197 1099 P C 0.421 177.725 177.300 0.006 0.000 1.076 1099 P CA 1.424 64.533 63.100 0.015 0.000 0.876 1099 P CB 0.152 31.867 31.700 0.026 0.000 0.705 1100 G N -1.082 107.712 108.800 -0.010 0.000 5.371 1100 G HA2 0.256 4.216 3.960 0.000 0.000 0.208 1100 G HA3 0.256 4.216 3.960 0.000 0.000 0.208 1100 G C 0.020 174.902 174.900 -0.030 0.000 0.815 1100 G CA -0.399 44.694 45.100 -0.012 0.000 0.735 1100 G HN 0.554 nan 8.290 nan 0.000 0.284 1101 R N -0.345 120.120 120.500 -0.057 0.000 2.855 1101 R HA 0.842 5.182 4.340 0.000 0.000 0.266 1101 R C -2.872 173.374 176.300 -0.091 0.000 1.034 1101 R CA -1.606 54.448 56.100 -0.076 0.000 0.944 1101 R CB 1.268 31.507 30.300 -0.103 0.000 1.219 1101 R HN 0.010 nan 8.270 nan 0.000 0.474 1102 P HA 0.397 nan 4.420 nan 0.000 0.293 1102 P C -2.570 174.663 177.300 -0.112 0.000 1.304 1102 P CA -1.734 61.313 63.100 -0.089 0.000 0.767 1102 P CB -0.034 31.623 31.700 -0.072 0.000 1.247 1103 P HA 0.140 nan 4.420 nan 0.000 0.271 1103 P C -2.049 175.188 177.300 -0.105 0.000 1.233 1103 P CA -0.684 62.347 63.100 -0.116 0.000 0.789 1103 P CB -1.217 30.421 31.700 -0.103 0.000 0.951 1104 P HA -0.023 nan 4.420 nan 0.000 0.268 1104 P C -0.282 176.975 177.300 -0.071 0.000 1.208 1104 P CA 0.305 63.360 63.100 -0.076 0.000 0.777 1104 P CB 0.091 31.762 31.700 -0.048 0.000 0.875 1105 T N -0.549 113.967 114.554 -0.064 0.000 2.918 1105 T HA 0.111 4.461 4.350 0.000 0.000 0.283 1105 T C 1.344 176.012 174.700 -0.054 0.000 1.001 1105 T CA -0.980 61.085 62.100 -0.058 0.000 1.041 1105 T CB 0.561 69.398 68.868 -0.051 0.000 1.028 1105 T HN 0.318 nan 8.240 nan 0.000 0.511 1106 L N 0.759 121.951 121.223 -0.053 0.000 2.021 1106 L HA -0.187 4.154 4.340 0.000 0.000 0.215 1106 L C 2.432 179.272 176.870 -0.049 0.000 1.074 1106 L CA 2.653 57.461 54.840 -0.053 0.000 0.760 1106 L CB -1.405 40.624 42.059 -0.049 0.000 0.889 1106 L HN 1.006 nan 8.230 nan 0.000 0.433 1107 Q N 0.568 120.342 119.800 -0.043 0.000 2.030 1107 Q HA -0.251 4.089 4.340 0.000 0.000 0.204 1107 Q C 2.065 178.043 176.000 -0.035 0.000 0.986 1107 Q CA 2.480 58.260 55.803 -0.039 0.000 0.843 1107 Q CB -0.332 28.388 28.738 -0.031 0.000 0.904 1107 Q HN 0.621 nan 8.270 nan 0.000 0.420 1108 E N -0.667 119.512 120.200 -0.035 0.000 2.160 1108 E HA -0.192 4.158 4.350 0.000 0.000 0.195 1108 E C 2.010 178.595 176.600 -0.026 0.000 0.991 1108 E CA 1.524 57.907 56.400 -0.029 0.000 0.810 1108 E CB -0.146 29.529 29.700 -0.042 0.000 0.742 1108 E HN 0.475 nan 8.360 nan 0.000 0.466 1109 M N 0.127 119.705 119.600 -0.037 0.000 2.156 1109 M HA -0.090 4.390 4.480 0.000 0.000 0.264 1109 M C 2.513 178.789 176.300 -0.040 0.000 1.067 1109 M CA 1.070 56.346 55.300 -0.039 0.000 1.131 1109 M CB -0.193 32.373 32.600 -0.056 0.000 1.368 1109 M HN 0.152 nan 8.290 nan 0.000 0.416 1110 I N 0.318 120.858 120.570 -0.050 0.000 2.286 1110 I HA -0.336 3.835 4.170 0.000 0.000 0.248 1110 I C 2.493 178.563 176.117 -0.077 0.000 1.115 1110 I CA 1.564 62.828 61.300 -0.060 0.000 1.392 1110 I CB -0.036 37.921 38.000 -0.072 0.000 1.065 1110 I HN 0.331 nan 8.210 nan 0.000 0.418 1111 Q N 0.793 120.554 119.800 -0.066 0.000 2.050 1111 Q HA -0.226 4.114 4.340 0.000 0.000 0.202 1111 Q C 2.141 178.117 176.000 -0.040 0.000 0.980 1111 Q CA 2.245 58.006 55.803 -0.071 0.000 0.840 1111 Q CB -0.277 28.452 28.738 -0.014 0.000 0.898 1111 Q HN 0.501 nan 8.270 nan 0.000 0.424 1112 M N -0.627 118.969 119.600 -0.006 0.000 2.080 1112 M HA -0.191 4.290 4.480 0.000 0.000 0.260 1112 M C 2.197 178.524 176.300 0.044 0.000 1.068 1112 M CA 1.671 56.984 55.300 0.022 0.000 1.109 1112 M CB -0.541 32.074 32.600 0.025 0.000 1.342 1112 M HN 0.336 nan 8.290 nan 0.000 0.405 1113 A N 0.489 123.335 122.820 0.043 0.000 1.883 1113 A HA -0.129 4.191 4.320 0.000 0.000 0.217 1113 A C 2.383 180.082 177.584 0.193 0.000 1.186 1113 A CA 2.223 54.352 52.037 0.153 0.000 0.624 1113 A CB -1.071 17.993 19.000 0.106 0.000 0.822 1113 A HN 0.526 nan 8.150 nan 0.000 0.444 1114 A N -0.509 122.317 122.820 0.010 0.000 1.930 1114 A HA -0.146 4.174 4.320 0.000 0.000 0.217 1114 A C 1.923 179.502 177.584 -0.009 0.000 1.175 1114 A CA 1.615 53.604 52.037 -0.081 0.000 0.627 1114 A CB -0.519 18.244 19.000 -0.395 0.000 0.815 1114 A HN 0.647 nan 8.150 nan 0.000 0.443 1115 E N -0.307 119.861 120.200 -0.053 0.000 2.077 1115 E HA -0.159 4.192 4.350 0.000 0.000 0.193 1115 E C 1.880 178.411 176.600 -0.114 0.000 0.989 1115 E CA 1.307 57.579 56.400 -0.212 0.000 0.800 1115 E CB -0.279 29.362 29.700 -0.098 0.000 0.746 1115 E HN 0.702 nan 8.360 nan 0.000 0.452 1116 I N 0.979 121.584 120.570 0.059 0.000 2.202 1116 I HA -0.243 3.927 4.170 0.000 0.000 0.242 1116 I C 2.551 178.719 176.117 0.086 0.000 1.091 1116 I CA 0.900 62.278 61.300 0.129 0.000 1.368 1116 I CB -0.291 37.882 38.000 0.288 0.000 1.058 1116 I HN 0.077 nan 8.210 nan 0.000 0.410 1117 A N 0.345 123.239 122.820 0.124 0.000 1.933 1117 A HA -0.305 4.015 4.320 0.000 0.000 0.218 1117 A C 1.966 179.582 177.584 0.053 0.000 1.175 1117 A CA 2.351 54.387 52.037 -0.003 0.000 0.628 1117 A CB -0.735 18.239 19.000 -0.042 0.000 0.814 1117 A HN 0.474 nan 8.150 nan 0.000 0.444 1118 D N -0.740 119.737 120.400 0.128 0.000 2.117 1118 D HA -0.039 4.601 4.640 0.000 0.000 0.197 1118 D C 1.985 178.415 176.300 0.218 0.000 0.987 1118 D CA 1.661 55.821 54.000 0.266 0.000 0.829 1118 D CB -0.433 40.573 40.800 0.344 0.000 0.961 1118 D HN 0.291 nan 8.370 nan 0.000 0.460 1119 G N -0.053 108.815 108.800 0.114 0.000 2.422 1119 G HA2 -0.221 3.740 3.960 0.000 0.000 0.218 1119 G HA3 -0.221 3.740 3.960 0.000 0.000 0.218 1119 G C 1.509 176.368 174.900 -0.068 0.000 1.146 1119 G CA 0.767 45.910 45.100 0.072 0.000 0.769 1119 G HN 0.184 nan 8.290 nan 0.000 0.547 1120 M N 1.077 120.518 119.600 -0.264 0.000 2.200 1120 M HA 0.153 4.633 4.480 0.000 0.000 0.265 1120 M C 2.985 179.037 176.300 -0.414 0.000 1.066 1120 M CA 1.010 55.957 55.300 -0.589 0.000 1.127 1120 M CB -1.211 30.431 32.600 -1.597 0.000 1.379 1120 M HN 0.307 nan 8.290 nan 0.000 0.420 1121 A N -0.635 122.097 122.820 -0.147 0.000 1.902 1121 A HA -0.226 4.094 4.320 0.000 0.000 0.217 1121 A C 2.167 179.701 177.584 -0.084 0.000 1.181 1121 A CA 1.500 53.620 52.037 0.138 0.000 0.623 1121 A CB -1.162 18.104 19.000 0.443 0.000 0.818 1121 A HN 0.492 nan 8.150 nan 0.000 0.443 1122 Y N 0.013 120.030 120.300 -0.471 0.000 2.097 1122 Y HA -0.206 4.344 4.550 0.001 0.000 0.282 1122 Y C 1.991 177.544 175.900 -0.578 0.000 1.152 1122 Y CA 1.914 59.401 58.100 -1.022 0.000 1.136 1122 Y CB -0.548 37.451 38.460 -0.768 0.000 0.975 1122 Y HN 0.202 nan 8.280 nan 0.000 0.498 1123 L N 1.312 122.301 121.223 -0.390 0.000 1.997 1123 L HA -0.337 4.003 4.340 0.000 0.000 0.216 1123 L C 2.529 179.287 176.870 -0.187 0.000 1.074 1123 L CA 2.438 57.058 54.840 -0.367 0.000 0.763 1123 L CB -1.367 40.590 42.059 -0.170 0.000 0.890 1123 L HN 0.484 nan 8.230 nan 0.000 0.434 1124 N N -0.746 117.890 118.700 -0.106 0.000 2.069 1124 N HA -0.229 4.512 4.740 0.000 0.000 0.191 1124 N C 1.803 177.288 175.510 -0.043 0.000 1.031 1124 N CA 1.452 54.507 53.050 0.009 0.000 0.852 1124 N CB 0.040 38.598 38.487 0.118 0.000 1.018 1124 N HN 0.392 nan 8.380 nan 0.000 0.423 1125 A N 1.482 124.227 122.820 -0.126 0.000 1.948 1125 A HA -0.123 4.197 4.320 0.000 0.000 0.220 1125 A C 1.942 179.428 177.584 -0.164 0.000 1.177 1125 A CA 1.268 53.240 52.037 -0.108 0.000 0.636 1125 A CB -0.262 18.651 19.000 -0.144 0.000 0.815 1125 A HN 0.249 nan 8.150 nan 0.000 0.449 1126 K N -0.339 119.892 120.400 -0.280 0.000 2.487 1126 K HA 0.018 4.338 4.320 0.000 0.000 0.192 1126 K C -0.288 176.296 176.600 -0.026 0.000 1.027 1126 K CA 0.211 56.417 56.287 -0.134 0.000 1.054 1126 K CB 0.111 32.541 32.500 -0.116 0.000 0.824 1126 K HN 0.446 nan 8.250 nan 0.000 0.510 1127 K N 0.015 120.376 120.400 -0.065 0.000 3.181 1127 K HA -0.163 4.157 4.320 0.000 0.000 0.269 1127 K C -0.792 175.643 176.600 -0.275 0.000 1.097 1127 K CA 0.671 56.877 56.287 -0.136 0.000 0.783 1127 K CB -2.118 30.267 32.500 -0.192 0.000 1.267 1127 K HN 0.066 nan 8.250 nan 0.000 0.484 1128 F N -0.917 119.039 119.950 0.009 0.000 2.565 1128 F HA 0.471 4.998 4.527 0.001 0.000 0.313 1128 F C 0.150 175.998 175.800 0.081 0.000 1.091 1128 F CA -0.986 57.051 58.000 0.062 0.000 0.915 1128 F CB 1.925 41.001 39.000 0.125 0.000 1.208 1128 F HN -0.144 nan 8.300 nan 0.000 0.453 1129 V N 3.481 123.581 119.914 0.311 0.000 2.417 1129 V HA 0.255 4.375 4.120 0.000 0.000 0.291 1129 V C 0.389 176.659 176.094 0.293 0.000 1.024 1129 V CA -0.079 62.383 62.300 0.270 0.000 0.861 1129 V CB 1.336 33.296 31.823 0.229 0.000 0.985 1129 V HN 0.932 nan 8.190 nan 0.000 0.436 1130 H N 5.593 124.781 119.070 0.197 0.000 2.363 1130 H HA 0.069 4.625 4.556 0.000 0.000 0.301 1130 H C 1.750 177.149 175.328 0.118 0.000 1.074 1130 H CA 2.115 58.261 56.048 0.163 0.000 1.354 1130 H CB 0.146 29.974 29.762 0.111 0.000 1.397 1130 H HN 0.807 nan 8.280 nan 0.000 0.516 1131 R N -1.554 119.149 120.500 0.338 0.000 3.862 1131 R HA -0.206 4.135 4.340 0.000 0.000 0.470 1131 R C -0.402 176.075 176.300 0.296 0.000 0.879 1131 R CA 1.332 57.593 56.100 0.268 0.000 1.508 1131 R CB -1.589 28.681 30.300 -0.051 0.000 2.170 1131 R HN 0.423 nan 8.270 nan 0.000 0.496 1132 D N 0.198 120.869 120.400 0.452 0.000 2.992 1132 D HA 0.150 4.791 4.640 0.000 0.000 0.372 1132 D C -1.100 175.340 176.300 0.234 0.000 1.374 1132 D CA -0.435 53.738 54.000 0.289 0.000 0.769 1132 D CB 0.377 41.230 40.800 0.089 0.000 1.215 1132 D HN 0.042 nan 8.370 nan 0.000 0.473 1133 L N 1.559 122.867 121.223 0.143 0.000 2.410 1133 L HA 0.674 5.014 4.340 0.000 0.000 0.273 1133 L C -0.554 176.310 176.870 -0.010 0.000 1.144 1133 L CA 0.187 54.965 54.840 -0.102 0.000 0.863 1133 L CB 0.415 42.479 42.059 0.007 0.000 1.140 1133 L HN 0.201 nan 8.230 nan 0.000 0.463 1134 A N 3.889 126.650 122.820 -0.097 0.000 2.597 1134 A HA 0.670 4.990 4.320 0.000 0.000 0.292 1134 A C 0.481 178.065 177.584 0.001 0.000 1.057 1134 A CA -0.172 51.801 52.037 -0.106 0.000 0.674 1134 A CB 0.234 18.760 19.000 -0.789 0.000 1.278 1134 A HN 1.130 nan 8.150 nan 0.000 0.416 1135 A N 0.699 123.608 122.820 0.148 0.000 1.940 1135 A HA -0.174 4.147 4.320 0.000 0.000 0.219 1135 A C 1.928 179.548 177.584 0.059 0.000 1.176 1135 A CA 2.164 54.275 52.037 0.124 0.000 0.631 1135 A CB -0.647 18.470 19.000 0.194 0.000 0.814 1135 A HN 1.117 nan 8.150 nan 0.000 0.446 1136 R N -0.958 119.551 120.500 0.015 0.000 2.189 1136 R HA -0.007 4.334 4.340 0.000 0.000 0.223 1136 R C 0.577 176.847 176.300 -0.050 0.000 1.092 1136 R CA 1.495 57.586 56.100 -0.015 0.000 0.989 1136 R CB -0.419 29.850 30.300 -0.051 0.000 0.876 1136 R HN 0.329 nan 8.270 nan 0.000 0.457 1137 N N -0.115 118.537 118.700 -0.080 0.000 2.270 1137 N HA 0.102 4.843 4.740 0.000 0.000 0.198 1137 N C -0.826 174.635 175.510 -0.083 0.000 1.117 1137 N CA -0.084 52.911 53.050 -0.093 0.000 0.845 1137 N CB 0.485 38.912 38.487 -0.100 0.000 0.980 1137 N HN 0.138 nan 8.380 nan 0.000 0.486 1138 C N 1.697 120.974 119.300 -0.038 0.000 2.341 1138 C HA 0.537 4.998 4.460 0.000 0.000 0.338 1138 C C 0.143 175.135 174.990 0.002 0.000 1.257 1138 C CA -0.764 58.245 59.018 -0.015 0.000 1.883 1138 C CB 0.335 28.085 27.740 0.018 0.000 2.334 1138 C HN 0.212 nan 8.230 nan 0.000 0.524 1139 M N 2.948 122.550 119.600 0.003 0.000 2.578 1139 M HA 0.554 5.035 4.480 0.000 0.000 0.321 1139 M C -0.644 175.652 176.300 -0.007 0.000 1.182 1139 M CA -0.628 54.674 55.300 0.004 0.000 0.965 1139 M CB 1.486 34.088 32.600 0.003 0.000 1.694 1139 M HN 0.278 nan 8.290 nan 0.000 0.461 1140 V N 1.466 121.367 119.914 -0.022 0.000 2.448 1140 V HA 0.680 4.800 4.120 0.000 0.000 0.295 1140 V C 0.403 176.471 176.094 -0.043 0.000 1.025 1140 V CA -1.072 61.185 62.300 -0.072 0.000 0.859 1140 V CB 1.133 32.830 31.823 -0.211 0.000 0.988 1140 V HN 1.017 nan 8.190 nan 0.000 0.431 1141 A N 3.307 126.094 122.820 -0.054 0.000 2.296 1141 A HA 0.355 4.675 4.320 0.000 0.000 0.264 1141 A C 1.402 178.954 177.584 -0.053 0.000 1.097 1141 A CA 0.169 52.201 52.037 -0.009 0.000 0.811 1141 A CB -0.017 18.995 19.000 0.020 0.000 1.072 1141 A HN 1.132 nan 8.150 nan 0.000 0.495 1142 H N 0.127 119.110 119.070 -0.145 0.000 2.457 1142 H HA -0.147 4.409 4.556 0.000 0.000 0.297 1142 H C 0.495 175.630 175.328 -0.321 0.000 1.092 1142 H CA 1.846 57.776 56.048 -0.196 0.000 1.309 1142 H CB -0.465 29.201 29.762 -0.158 0.000 1.382 1142 H HN 0.720 nan 8.280 nan 0.000 0.535 1143 D N -1.437 118.375 120.400 -0.981 0.000 2.340 1143 D HA 0.015 4.655 4.640 0.000 0.000 0.217 1143 D C 0.022 176.159 176.300 -0.272 0.000 1.081 1143 D CA -0.463 53.133 54.000 -0.673 0.000 0.842 1143 D CB -0.612 39.843 40.800 -0.574 0.000 0.934 1143 D HN 0.254 nan 8.370 nan 0.000 0.511 1144 F N -1.060 118.778 119.950 -0.188 0.000 2.795 1144 F HA -0.231 4.296 4.527 0.000 0.000 0.297 1144 F C 0.248 175.960 175.800 -0.146 0.000 0.699 1144 F CA 0.533 58.387 58.000 -0.243 0.000 1.384 1144 F CB -2.690 36.152 39.000 -0.264 0.000 1.672 1144 F HN -0.104 nan 8.300 nan 0.000 0.345 1145 T N 1.681 116.240 114.554 0.008 0.000 2.870 1145 T HA 0.493 4.844 4.350 0.000 0.000 0.300 1145 T C 0.508 175.236 174.700 0.046 0.000 0.989 1145 T CA -0.241 61.902 62.100 0.072 0.000 1.139 1145 T CB 1.285 70.210 68.868 0.096 0.000 0.920 1145 T HN 0.032 nan 8.240 nan 0.000 0.537 1146 V N 5.235 125.194 119.914 0.076 0.000 2.539 1146 V HA 0.468 4.589 4.120 0.000 0.000 0.292 1146 V C 0.192 176.337 176.094 0.085 0.000 1.045 1146 V CA -0.476 61.855 62.300 0.052 0.000 0.945 1146 V CB 1.341 33.192 31.823 0.046 0.000 0.993 1146 V HN 0.776 nan 8.190 nan 0.000 0.464 1147 K N 3.956 124.389 120.400 0.055 0.000 2.477 1147 K HA 0.606 4.926 4.320 0.000 0.000 0.255 1147 K C -1.402 175.230 176.600 0.052 0.000 0.952 1147 K CA -0.974 55.356 56.287 0.071 0.000 0.826 1147 K CB 2.337 34.858 32.500 0.034 0.000 1.331 1147 K HN 0.318 nan 8.250 nan 0.000 0.437 1148 I N 1.944 122.559 120.570 0.075 0.000 2.529 1148 I HA 0.283 4.453 4.170 0.000 0.000 0.284 1148 I C 0.840 176.996 176.117 0.066 0.000 1.082 1148 I CA 0.334 61.655 61.300 0.036 0.000 1.406 1148 I CB 0.273 38.319 38.000 0.076 0.000 1.405 1148 I HN 0.837 nan 8.210 nan 0.000 0.548 1149 G N 3.400 112.106 108.800 -0.157 0.000 3.022 1149 G HA2 0.407 4.368 3.960 0.000 0.000 0.284 1149 G HA3 0.407 4.368 3.960 0.000 0.000 0.284 1149 G C -0.875 173.624 174.900 -0.667 0.000 1.375 1149 G CA -0.432 44.496 45.100 -0.287 0.000 0.902 1149 G HN 0.598 nan 8.290 nan 0.000 0.538 1150 D N -1.307 118.798 120.400 -0.491 0.000 3.763 1150 D HA -0.170 4.470 4.640 0.000 0.000 0.232 1150 D C -0.337 175.557 176.300 -0.676 0.000 1.108 1150 D CA 0.413 54.177 54.000 -0.393 0.000 1.117 1150 D CB -0.850 39.822 40.800 -0.213 0.000 0.846 1150 D HN 0.264 nan 8.370 nan 0.000 0.405 1151 F N 0.821 120.706 119.950 -0.108 0.000 2.730 1151 F HA 0.344 4.871 4.527 0.000 0.000 0.295 1151 F C 2.209 177.897 175.800 -0.186 0.000 1.143 1151 F CA -0.009 57.861 58.000 -0.216 0.000 1.367 1151 F CB 0.515 39.424 39.000 -0.150 0.000 0.970 1151 F HN 0.343 nan 8.300 nan 0.000 0.514 1152 G N 0.528 109.295 108.800 -0.056 0.000 2.440 1152 G HA2 -0.238 3.722 3.960 0.000 0.000 0.218 1152 G HA3 -0.238 3.722 3.960 0.000 0.000 0.218 1152 G C 1.492 176.376 174.900 -0.026 0.000 1.154 1152 G CA 0.649 45.754 45.100 0.009 0.000 0.767 1152 G HN 0.335 nan 8.290 nan 0.000 0.552 1153 M N 1.067 120.608 119.600 -0.097 0.000 2.495 1153 M HA 0.114 4.594 4.480 0.000 0.000 0.237 1153 M C 0.399 176.631 176.300 -0.112 0.000 1.131 1153 M CA 0.028 55.264 55.300 -0.106 0.000 1.032 1153 M CB 0.270 32.802 32.600 -0.113 0.000 1.513 1153 M HN -0.079 nan 8.290 nan 0.000 0.488 1154 T N 2.594 117.090 114.554 -0.097 0.000 2.940 1154 T HA 0.189 4.539 4.350 0.000 0.000 0.309 1154 T C 0.372 175.140 174.700 0.113 0.000 1.056 1154 T CA 0.174 62.284 62.100 0.017 0.000 1.137 1154 T CB 0.533 69.461 68.868 0.099 0.000 0.976 1154 T HN 0.211 nan 8.240 nan 0.000 0.547 1155 R N 1.779 122.408 120.500 0.214 0.000 2.725 1155 R HA 0.334 4.674 4.340 0.000 0.000 0.277 1155 R C -1.088 175.368 176.300 0.260 0.000 0.987 1155 R CA -0.967 55.255 56.100 0.203 0.000 0.901 1155 R CB 1.560 31.889 30.300 0.047 0.000 1.207 1155 R HN 0.591 nan 8.270 nan 0.000 0.463 1156 D N 2.887 123.320 120.400 0.056 0.000 2.343 1156 D HA 0.288 4.928 4.640 0.000 0.000 0.255 1156 D C 0.196 176.346 176.300 -0.249 0.000 1.187 1156 D CA -0.161 53.563 54.000 -0.460 0.000 0.875 1156 D CB 0.464 41.039 40.800 -0.375 0.000 1.136 1156 D HN 0.464 nan 8.370 nan 0.000 0.469 1160 T N -1.431 113.111 114.554 -0.021 0.000 2.986 1160 T HA 0.280 4.631 4.350 0.000 0.000 0.264 1160 T C -0.060 174.643 174.700 0.005 0.000 0.964 1160 T CA 0.536 62.634 62.100 -0.004 0.000 0.895 1160 T CB 0.852 69.723 68.868 0.005 0.000 1.163 1160 T HN -0.035 nan 8.240 nan 0.000 0.517 1165 K N 2.365 122.888 120.400 0.205 0.000 2.211 1165 K HA 0.388 4.709 4.320 0.000 0.000 0.275 1165 K C 0.454 177.121 176.600 0.110 0.000 1.024 1165 K CA 0.120 56.484 56.287 0.129 0.000 0.887 1165 K CB 1.407 33.987 32.500 0.135 0.000 1.084 1165 K HN 0.736 nan 8.250 nan 0.000 0.463 1166 G N 2.831 111.670 108.800 0.065 0.000 2.559 1166 G HA2 0.076 4.036 3.960 0.000 0.000 0.209 1166 G HA3 0.076 4.036 3.960 0.000 0.000 0.209 1166 G C 0.570 175.494 174.900 0.040 0.000 1.151 1166 G CA 0.191 45.320 45.100 0.049 0.000 0.824 1166 G HN 0.719 nan 8.290 nan 0.000 0.543 1167 G N -0.185 108.635 108.800 0.034 0.000 2.563 1167 G HA2 0.493 4.453 3.960 0.000 0.000 0.283 1167 G HA3 0.493 4.453 3.960 0.000 0.000 0.283 1167 G C 0.210 175.129 174.900 0.033 0.000 1.309 1167 G CA 0.344 45.459 45.100 0.026 0.000 1.022 1167 G HN 0.631 nan 8.290 nan 0.000 0.501 1168 K N -1.536 118.879 120.400 0.026 0.000 2.180 1168 K HA 0.702 5.022 4.320 0.000 0.000 0.251 1168 K C 0.497 177.115 176.600 0.030 0.000 1.014 1168 K CA 0.148 56.453 56.287 0.030 0.000 0.913 1168 K CB 0.601 33.115 32.500 0.022 0.000 1.008 1168 K HN 2.184 nan 8.250 nan 0.000 0.490 1169 G N -0.809 108.013 108.800 0.037 0.000 2.355 1169 G HA2 0.418 4.378 3.960 0.000 0.000 0.296 1169 G HA3 0.418 4.378 3.960 0.000 0.000 0.296 1169 G C -1.365 173.565 174.900 0.049 0.000 1.507 1169 G CA -0.935 44.185 45.100 0.034 0.000 0.823 1169 G HN 0.635 nan 8.290 nan 0.000 0.569 1170 L N 1.106 122.356 121.223 0.046 0.000 2.385 1170 L HA 0.444 4.784 4.340 0.000 0.000 0.281 1170 L C -0.025 176.891 176.870 0.077 0.000 1.106 1170 L CA -0.171 54.706 54.840 0.061 0.000 0.856 1170 L CB 0.300 42.395 42.059 0.059 0.000 1.186 1170 L HN 0.242 nan 8.230 nan 0.000 0.453 1171 L N 5.846 127.131 121.223 0.103 0.000 2.342 1171 L HA 0.487 4.828 4.340 0.000 0.000 0.271 1171 L C -1.896 175.076 176.870 0.169 0.000 1.008 1171 L CA -1.692 53.234 54.840 0.144 0.000 0.818 1171 L CB 2.150 44.320 42.059 0.184 0.000 1.296 1171 L HN 0.413 nan 8.230 nan 0.000 0.427 1172 P HA 0.083 nan 4.420 nan 0.000 0.220 1172 P C 1.054 178.618 177.300 0.440 0.000 1.806 1172 P CA -0.197 63.070 63.100 0.278 0.000 0.976 1172 P CB 0.559 32.341 31.700 0.137 0.000 1.952 1173 V N 2.511 122.613 119.914 0.312 0.000 2.277 1173 V HA -0.316 3.805 4.120 0.000 0.000 0.255 1173 V C 2.594 178.826 176.094 0.229 0.000 1.074 1173 V CA 2.081 64.511 62.300 0.217 0.000 1.058 1173 V CB -0.871 31.023 31.823 0.118 0.000 0.656 1173 V HN 0.420 nan 8.190 nan 0.000 0.449 1174 R N -1.525 119.150 120.500 0.291 0.000 2.241 1174 R HA -0.149 4.191 4.340 0.000 0.000 0.224 1174 R C 1.790 178.106 176.300 0.027 0.000 1.101 1174 R CA 1.388 57.520 56.100 0.054 0.000 0.995 1174 R CB -0.171 29.953 30.300 -0.295 0.000 0.870 1174 R HN 0.620 nan 8.270 nan 0.000 0.463 1175 W N -0.361 121.109 121.300 0.282 0.000 3.008 1175 W HA 0.283 4.943 4.660 0.000 0.000 0.355 1175 W C 0.146 176.909 176.519 0.406 0.000 1.095 1175 W CA -0.594 56.973 57.345 0.371 0.000 1.738 1175 W CB 0.268 29.907 29.460 0.300 0.000 1.091 1175 W HN -0.002 nan 8.180 nan 0.000 0.574 1176 M N 0.559 120.397 119.600 0.397 0.000 2.235 1176 M HA 0.378 4.858 4.480 0.000 0.000 0.351 1176 M C 0.681 176.692 176.300 -0.482 0.000 1.178 1176 M CA -0.102 55.246 55.300 0.081 0.000 1.143 1176 M CB 1.176 33.796 32.600 0.033 0.000 1.530 1176 M HN -0.243 nan 8.290 nan 0.000 0.461 1177 A N 4.503 126.885 122.820 -0.729 0.000 2.313 1177 A HA 0.399 4.719 4.320 0.000 0.000 0.261 1177 A C -1.672 175.327 177.584 -0.975 0.000 1.090 1177 A CA -1.292 49.911 52.037 -1.389 0.000 0.807 1177 A CB -0.401 18.191 19.000 -0.680 0.000 1.055 1177 A HN 0.660 nan 8.150 nan 0.000 0.492 1178 P HA -0.231 nan 4.420 nan 0.000 0.214 1178 P C 1.081 178.085 177.300 -0.494 0.000 1.163 1178 P CA 1.786 64.482 63.100 -0.673 0.000 0.883 1178 P CB -0.089 31.137 31.700 -0.790 0.000 0.788 1179 E N 0.442 120.334 120.200 -0.512 0.000 2.209 1179 E HA -0.121 4.229 4.350 0.000 0.000 0.196 1179 E C 1.762 178.148 176.600 -0.357 0.000 0.993 1179 E CA 1.350 57.535 56.400 -0.357 0.000 0.819 1179 E CB -1.158 28.360 29.700 -0.303 0.000 0.745 1179 E HN 0.201 nan 8.360 nan 0.000 0.477 1180 S N 1.136 116.552 115.700 -0.473 0.000 2.395 1180 S HA 0.061 4.531 4.470 0.000 0.000 0.225 1180 S C 2.162 176.512 174.600 -0.416 0.000 1.027 1180 S CA 0.701 58.518 58.200 -0.639 0.000 0.965 1180 S CB -0.200 62.468 63.200 -0.888 0.000 0.812 1180 S HN 0.200 nan 8.310 nan 0.000 0.482 1181 L N 1.395 122.428 121.223 -0.317 0.000 2.093 1181 L HA -0.076 4.265 4.340 0.000 0.000 0.208 1181 L C 2.562 179.349 176.870 -0.138 0.000 1.085 1181 L CA 1.243 55.971 54.840 -0.187 0.000 0.755 1181 L CB -0.407 41.542 42.059 -0.184 0.000 0.904 1181 L HN 0.284 nan 8.230 nan 0.000 0.435 1182 K N -0.011 120.293 120.400 -0.159 0.000 2.005 1182 K HA -0.124 4.196 4.320 0.000 0.000 0.206 1182 K C 1.167 177.716 176.600 -0.084 0.000 1.044 1182 K CA 1.561 57.786 56.287 -0.103 0.000 0.942 1182 K CB 0.166 32.609 32.500 -0.095 0.000 0.727 1182 K HN 0.224 nan 8.250 nan 0.000 0.439 1183 D N -1.141 119.192 120.400 -0.112 0.000 2.379 1183 D HA 0.097 4.737 4.640 0.000 0.000 0.208 1183 D C 0.607 176.871 176.300 -0.059 0.000 1.065 1183 D CA 0.786 54.742 54.000 -0.075 0.000 0.848 1183 D CB 0.990 41.747 40.800 -0.072 0.000 0.949 1183 D HN 0.551 nan 8.370 nan 0.000 0.509 1184 G N 1.351 110.081 108.800 -0.115 0.000 2.160 1184 G HA2 -0.266 3.694 3.960 0.000 0.000 0.251 1184 G HA3 -0.266 3.694 3.960 0.000 0.000 0.251 1184 G C 0.232 175.140 174.900 0.013 0.000 1.008 1184 G CA 0.150 45.240 45.100 -0.017 0.000 0.724 1184 G HN 0.270 nan 8.290 nan 0.000 0.514 1185 V N 0.611 120.396 119.914 -0.215 0.000 2.394 1185 V HA 0.741 4.861 4.120 0.000 0.000 0.282 1185 V C -0.068 175.863 176.094 -0.271 0.000 1.031 1185 V CA -0.551 61.704 62.300 -0.074 0.000 0.881 1185 V CB 1.022 32.807 31.823 -0.063 0.000 0.982 1185 V HN 0.229 nan 8.190 nan 0.000 0.451 1186 F N 2.798 122.764 119.950 0.027 0.000 2.495 1186 F HA 0.797 5.324 4.527 0.000 0.000 0.327 1186 F C 0.531 176.371 175.800 0.067 0.000 1.103 1186 F CA -0.548 57.484 58.000 0.055 0.000 0.949 1186 F CB 2.217 41.263 39.000 0.077 0.000 1.142 1186 F HN 0.591 nan 8.300 nan 0.000 0.457 1187 T N -3.167 111.529 114.554 0.237 0.000 2.696 1187 T HA 0.225 4.575 4.350 0.000 0.000 0.291 1187 T C 0.596 175.428 174.700 0.220 0.000 1.095 1187 T CA -0.202 62.008 62.100 0.184 0.000 1.026 1187 T CB 1.356 70.291 68.868 0.112 0.000 1.390 1187 T HN 0.514 nan 8.240 nan 0.000 0.513 1188 T N -0.023 114.652 114.554 0.202 0.000 2.881 1188 T HA -0.054 4.296 4.350 0.000 0.000 0.270 1188 T C 1.870 176.719 174.700 0.249 0.000 1.068 1188 T CA 2.082 64.345 62.100 0.272 0.000 1.131 1188 T CB -0.970 68.049 68.868 0.251 0.000 0.871 1188 T HN 0.546 nan 8.240 nan 0.000 0.479 1189 S N 1.056 116.850 115.700 0.157 0.000 2.383 1189 S HA -0.085 4.386 4.470 0.000 0.000 0.227 1189 S C 2.401 177.112 174.600 0.185 0.000 1.026 1189 S CA 1.437 59.708 58.200 0.118 0.000 0.981 1189 S CB -0.354 62.889 63.200 0.071 0.000 0.818 1189 S HN 0.851 nan 8.310 nan 0.000 0.472 1190 S N 1.786 117.596 115.700 0.185 0.000 2.402 1190 S HA -0.095 4.375 4.470 0.000 0.000 0.229 1190 S C 1.343 176.166 174.600 0.372 0.000 1.021 1190 S CA 0.968 59.290 58.200 0.204 0.000 0.974 1190 S CB -0.459 62.788 63.200 0.080 0.000 0.800 1190 S HN 0.294 nan 8.310 nan 0.000 0.484 1191 D N 1.301 121.943 120.400 0.403 0.000 2.144 1191 D HA -0.040 4.600 4.640 0.000 0.000 0.199 1191 D C 1.751 178.418 176.300 0.611 0.000 0.984 1191 D CA 1.126 55.431 54.000 0.509 0.000 0.834 1191 D CB -0.357 40.762 40.800 0.532 0.000 0.955 1191 D HN 0.392 nan 8.370 nan 0.000 0.465 1192 M N -0.072 119.777 119.600 0.414 0.000 2.159 1192 M HA -0.113 4.368 4.480 0.000 0.000 0.263 1192 M C 1.802 178.318 176.300 0.361 0.000 1.063 1192 M CA 1.173 56.565 55.300 0.154 0.000 1.110 1192 M CB -0.531 31.967 32.600 -0.168 0.000 1.374 1192 M HN 0.220 nan 8.290 nan 0.000 0.411 1193 W N 0.322 121.776 121.300 0.257 0.000 2.355 1193 W HA -0.148 4.512 4.660 0.000 0.000 0.309 1193 W C 1.878 178.682 176.519 0.475 0.000 1.206 1193 W CA 1.887 59.452 57.345 0.368 0.000 1.284 1193 W CB -0.996 28.647 29.460 0.305 0.000 1.145 1193 W HN 0.263 nan 8.180 nan 0.000 0.502 1194 S N 0.945 117.112 115.700 0.780 0.000 2.383 1194 S HA -0.244 4.226 4.470 0.000 0.000 0.229 1194 S C 1.558 176.494 174.600 0.559 0.000 1.030 1194 S CA 1.687 60.313 58.200 0.709 0.000 1.002 1194 S CB -1.079 62.493 63.200 0.620 0.000 0.829 1194 S HN 0.341 nan 8.310 nan 0.000 0.467 1195 F N 2.607 122.776 119.950 0.365 0.000 2.126 1195 F HA -0.047 4.480 4.527 0.001 0.000 0.299 1195 F C 2.276 178.149 175.800 0.121 0.000 1.096 1195 F CA 1.299 59.461 58.000 0.269 0.000 1.255 1195 F CB -1.002 38.196 39.000 0.330 0.000 0.997 1195 F HN 0.214 nan 8.300 nan 0.000 0.479 1196 G N -0.141 108.659 108.800 0.000 0.000 2.442 1196 G HA2 -0.217 3.743 3.960 0.000 0.000 0.219 1196 G HA3 -0.217 3.743 3.960 0.000 0.000 0.219 1196 G C 1.692 176.509 174.900 -0.139 0.000 1.141 1196 G CA 1.223 46.050 45.100 -0.454 0.000 0.763 1196 G HN 0.354 nan 8.290 nan 0.000 0.554 1197 V N 0.493 120.575 119.914 0.280 0.000 2.515 1197 V HA -0.128 3.992 4.120 0.000 0.000 0.250 1197 V C 2.953 179.234 176.094 0.312 0.000 1.058 1197 V CA 1.224 63.742 62.300 0.364 0.000 1.064 1197 V CB -0.136 31.825 31.823 0.229 0.000 0.675 1197 V HN 0.251 nan 8.190 nan 0.000 0.461 1198 V N -0.138 119.909 119.914 0.222 0.000 2.358 1198 V HA -0.212 3.908 4.120 0.000 0.000 0.246 1198 V C 2.325 178.431 176.094 0.021 0.000 1.047 1198 V CA 1.685 64.085 62.300 0.166 0.000 1.035 1198 V CB -0.507 31.360 31.823 0.074 0.000 0.658 1198 V HN 0.435 nan 8.190 nan 0.000 0.452 1199 L N -1.339 119.770 121.223 -0.190 0.000 2.042 1199 L HA -0.251 4.090 4.340 0.000 0.000 0.210 1199 L C 2.333 179.184 176.870 -0.032 0.000 1.076 1199 L CA 2.406 57.114 54.840 -0.221 0.000 0.749 1199 L CB -0.585 41.248 42.059 -0.378 0.000 0.893 1199 L HN 0.538 nan 8.230 nan 0.000 0.432 1200 W N 1.305 122.540 121.300 -0.109 0.000 2.358 1200 W HA -0.189 4.472 4.660 0.000 0.000 0.303 1200 W C 2.428 178.935 176.519 -0.020 0.000 1.208 1200 W CA 1.588 58.920 57.345 -0.022 0.000 1.274 1200 W CB 0.013 29.539 29.460 0.110 0.000 1.138 1200 W HN 0.083 nan 8.180 nan 0.000 0.515 1201 E N 0.241 120.667 120.200 0.375 0.000 2.058 1201 E HA -0.277 4.073 4.350 0.000 0.000 0.194 1201 E C 2.138 178.721 176.600 -0.028 0.000 0.997 1201 E CA 1.960 58.497 56.400 0.228 0.000 0.801 1201 E CB -0.527 29.376 29.700 0.338 0.000 0.746 1201 E HN 0.379 nan 8.360 nan 0.000 0.450 1202 I N 1.090 121.648 120.570 -0.020 0.000 2.127 1202 I HA -0.256 3.915 4.170 0.000 0.000 0.241 1202 I C 2.631 178.664 176.117 -0.141 0.000 1.075 1202 I CA 1.687 62.950 61.300 -0.061 0.000 1.334 1202 I CB -0.511 37.456 38.000 -0.055 0.000 1.040 1202 I HN 0.231 nan 8.210 nan 0.000 0.405 1203 T N -2.744 111.691 114.554 -0.199 0.000 3.163 1203 T HA -0.011 4.339 4.350 0.000 0.000 0.260 1203 T C 1.284 175.772 174.700 -0.354 0.000 1.156 1203 T CA 0.825 62.781 62.100 -0.241 0.000 1.072 1203 T CB -0.314 68.421 68.868 -0.221 0.000 0.937 1203 T HN 0.432 nan 8.240 nan 0.000 0.528 1204 S N 0.640 116.054 115.700 -0.477 0.000 2.701 1204 S HA 0.370 4.840 4.470 0.000 0.000 0.242 1204 S C 0.600 174.994 174.600 -0.345 0.000 1.025 1204 S CA -0.656 57.206 58.200 -0.563 0.000 1.016 1204 S CB -0.526 61.974 63.200 -1.167 0.000 0.977 1204 S HN 0.457 nan 8.310 nan 0.000 0.546 1205 L N 0.942 122.025 121.223 -0.233 0.000 3.632 1205 L HA -0.271 4.070 4.340 0.000 0.000 0.510 1205 L C 0.864 177.683 176.870 -0.084 0.000 1.299 1205 L CA 0.115 54.874 54.840 -0.135 0.000 0.829 1205 L CB -2.528 39.455 42.059 -0.126 0.000 1.559 1205 L HN 0.894 nan 8.230 nan 0.000 0.857 1206 A N -0.256 122.537 122.820 -0.045 0.000 2.791 1206 A HA -0.236 4.084 4.320 0.000 0.000 0.292 1206 A C 0.742 178.375 177.584 0.081 0.000 1.487 1206 A CA 1.670 53.747 52.037 0.067 0.000 0.760 1206 A CB -1.072 17.980 19.000 0.087 0.000 1.031 1206 A HN 0.775 nan 8.150 nan 0.000 0.503 1207 E N -0.207 119.995 120.200 0.002 0.000 2.390 1207 E HA 0.289 4.639 4.350 0.000 0.000 0.261 1207 E C 0.529 177.320 176.600 0.318 0.000 1.076 1207 E CA -0.236 56.211 56.400 0.078 0.000 0.905 1207 E CB 0.363 30.020 29.700 -0.071 0.000 0.984 1207 E HN 0.604 nan 8.360 nan 0.000 0.427 1208 Q N 4.901 124.846 119.800 0.241 0.000 2.286 1208 Q HA 0.161 4.502 4.340 0.000 0.000 0.267 1208 Q C -2.078 173.985 176.000 0.106 0.000 1.028 1208 Q CA -1.797 54.122 55.803 0.193 0.000 0.901 1208 Q CB 0.777 29.589 28.738 0.124 0.000 1.183 1208 Q HN 0.269 nan 8.270 nan 0.000 0.392 1209 P HA -0.129 nan 4.420 nan 0.000 0.267 1209 P C -0.965 176.059 177.300 -0.460 0.000 1.200 1209 P CA 0.348 62.992 63.100 -0.760 0.000 0.772 1209 P CB 0.181 31.244 31.700 -1.062 0.000 0.855 1210 Y N -2.439 117.582 120.300 -0.465 0.000 3.396 1210 Y HA -0.229 4.321 4.550 0.000 0.000 0.214 1210 Y C 1.055 176.820 175.900 -0.226 0.000 1.203 1210 Y CA 0.641 58.526 58.100 -0.358 0.000 1.401 1210 Y CB -2.915 35.333 38.460 -0.354 0.000 1.409 1210 Y HN 0.383 nan 8.280 nan 0.000 0.594 1211 Q N 1.104 120.864 119.800 -0.068 0.000 2.283 1211 Q HA 0.335 4.675 4.340 0.000 0.000 0.301 1211 Q C 1.371 177.351 176.000 -0.033 0.000 1.063 1211 Q CA 1.823 57.617 55.803 -0.014 0.000 0.952 1211 Q CB 0.550 29.302 28.738 0.023 0.000 1.166 1211 Q HN 0.762 nan 8.270 nan 0.000 0.381 1212 G N 2.489 111.276 108.800 -0.023 0.000 3.400 1212 G HA2 -0.265 3.695 3.960 0.000 0.000 0.209 1212 G HA3 -0.265 3.695 3.960 0.000 0.000 0.209 1212 G C -0.629 174.241 174.900 -0.049 0.000 1.411 1212 G CA -0.187 44.891 45.100 -0.037 0.000 0.917 1212 G HN 0.624 nan 8.290 nan 0.000 0.570 1213 L N 2.566 123.741 121.223 -0.081 0.000 2.499 1213 L HA 0.519 4.859 4.340 0.000 0.000 0.281 1213 L C 1.371 178.206 176.870 -0.059 0.000 1.234 1213 L CA 0.877 55.658 54.840 -0.099 0.000 0.839 1213 L CB 0.845 42.797 42.059 -0.179 0.000 1.104 1213 L HN 0.823 nan 8.230 nan 0.000 0.500 1214 S N 0.286 115.955 115.700 -0.052 0.000 2.651 1214 S HA 0.398 4.868 4.470 0.000 0.000 0.291 1214 S C 0.910 175.488 174.600 -0.036 0.000 1.141 1214 S CA -0.808 57.376 58.200 -0.027 0.000 1.027 1214 S CB 1.070 64.260 63.200 -0.016 0.000 1.043 1214 S HN 0.556 nan 8.310 nan 0.000 0.530 1215 N N 1.805 120.497 118.700 -0.013 0.000 2.073 1215 N HA -0.205 4.535 4.740 0.000 0.000 0.199 1215 N C 1.370 176.861 175.510 -0.032 0.000 1.023 1215 N CA 2.306 55.348 53.050 -0.013 0.000 0.880 1215 N CB -0.838 37.661 38.487 0.020 0.000 1.052 1215 N HN 0.790 nan 8.380 nan 0.000 0.449 1216 E N 0.920 121.108 120.200 -0.020 0.000 2.110 1216 E HA -0.147 4.204 4.350 0.000 0.000 0.193 1216 E C 2.061 178.642 176.600 -0.031 0.000 0.988 1216 E CA 1.014 57.402 56.400 -0.021 0.000 0.804 1216 E CB -0.300 29.394 29.700 -0.011 0.000 0.745 1216 E HN 0.580 nan 8.360 nan 0.000 0.458 1217 Q N 0.222 119.997 119.800 -0.042 0.000 2.079 1217 Q HA -0.076 4.264 4.340 0.000 0.000 0.200 1217 Q C 2.307 178.271 176.000 -0.060 0.000 0.974 1217 Q CA 1.467 57.243 55.803 -0.045 0.000 0.840 1217 Q CB -0.210 28.487 28.738 -0.068 0.000 0.898 1217 Q HN 0.183 nan 8.270 nan 0.000 0.430 1218 V N 1.807 121.641 119.914 -0.134 0.000 2.287 1218 V HA -0.265 3.855 4.120 0.000 0.000 0.248 1218 V C 2.301 178.296 176.094 -0.165 0.000 1.053 1218 V CA 1.344 63.487 62.300 -0.260 0.000 1.027 1218 V CB -0.719 30.905 31.823 -0.330 0.000 0.646 1218 V HN 0.382 nan 8.190 nan 0.000 0.447 1219 L N 0.379 121.538 121.223 -0.108 0.000 1.963 1219 L HA -0.272 4.068 4.340 0.000 0.000 0.220 1219 L C 2.521 179.357 176.870 -0.056 0.000 1.076 1219 L CA 2.717 57.509 54.840 -0.080 0.000 0.772 1219 L CB -0.977 41.053 42.059 -0.049 0.000 0.892 1219 L HN 0.418 nan 8.230 nan 0.000 0.435 1220 K N -1.199 119.187 120.400 -0.023 0.000 2.009 1220 K HA -0.271 4.049 4.320 0.000 0.000 0.210 1220 K C 2.240 178.849 176.600 0.015 0.000 1.049 1220 K CA 1.866 58.150 56.287 -0.004 0.000 0.929 1220 K CB -0.482 32.024 32.500 0.010 0.000 0.714 1220 K HN 0.147 nan 8.250 nan 0.000 0.440 1221 F N 1.513 121.388 119.950 -0.125 0.000 2.027 1221 F HA -0.320 4.207 4.527 0.000 0.000 0.297 1221 F C 1.898 177.638 175.800 -0.100 0.000 1.129 1221 F CA 2.045 59.968 58.000 -0.128 0.000 1.195 1221 F CB -0.651 38.234 39.000 -0.192 0.000 0.960 1221 F HN -0.139 nan 8.300 nan 0.000 0.485 1222 V N 0.615 120.475 119.914 -0.090 0.000 2.295 1222 V HA -0.353 3.767 4.120 0.000 0.000 0.246 1222 V C 2.491 178.548 176.094 -0.062 0.000 1.049 1222 V CA 2.247 64.475 62.300 -0.120 0.000 1.024 1222 V CB -0.757 30.995 31.823 -0.119 0.000 0.648 1222 V HN 0.419 nan 8.190 nan 0.000 0.447 1223 M N -0.090 119.473 119.600 -0.062 0.000 2.346 1223 M HA -0.170 4.310 4.480 0.000 0.000 0.263 1223 M C 1.102 177.449 176.300 0.078 0.000 1.064 1223 M CA 1.412 56.718 55.300 0.010 0.000 1.083 1223 M CB -0.411 32.172 32.600 -0.027 0.000 1.399 1223 M HN 0.349 nan 8.290 nan 0.000 0.435 1224 D N -0.595 119.781 120.400 -0.040 0.000 2.358 1224 D HA 0.192 4.832 4.640 0.000 0.000 0.224 1224 D C 1.269 177.452 176.300 -0.194 0.000 1.123 1224 D CA 0.619 54.551 54.000 -0.112 0.000 0.833 1224 D CB 0.476 41.202 40.800 -0.124 0.000 0.946 1224 D HN 0.522 nan 8.370 nan 0.000 0.505 1225 G N 0.262 109.007 108.800 -0.092 0.000 2.179 1225 G HA2 -0.182 3.779 3.960 0.000 0.000 0.220 1225 G HA3 -0.182 3.779 3.960 0.000 0.000 0.220 1225 G C 0.791 175.637 174.900 -0.090 0.000 0.990 1225 G CA -0.181 44.870 45.100 -0.082 0.000 0.646 1225 G HN 0.559 nan 8.290 nan 0.000 0.517 1226 G N -0.333 108.192 108.800 -0.458 0.000 2.634 1226 G HA2 0.759 4.719 3.960 0.000 0.000 0.255 1226 G HA3 0.759 4.719 3.960 0.000 0.000 0.255 1226 G C -0.354 174.358 174.900 -0.315 0.000 1.205 1226 G CA 0.242 44.749 45.100 -0.990 0.000 0.884 1226 G HN 1.747 nan 8.290 nan 0.000 0.549 1227 Y N -2.476 117.761 120.300 -0.105 0.000 2.687 1227 Y HA 0.494 5.045 4.550 0.000 0.000 0.338 1227 Y C -0.646 175.239 175.900 -0.026 0.000 1.189 1227 Y CA -1.715 56.354 58.100 -0.051 0.000 1.097 1227 Y CB 0.243 38.526 38.460 -0.295 0.000 1.342 1227 Y HN 0.554 nan 8.280 nan 0.000 0.461 1228 L N 2.671 123.704 121.223 -0.317 0.000 2.503 1228 L HA 0.102 4.442 4.340 0.000 0.000 0.287 1228 L C -0.154 176.762 176.870 0.076 0.000 1.252 1228 L CA 0.602 55.186 54.840 -0.426 0.000 0.835 1228 L CB 0.068 41.453 42.059 -1.124 0.000 1.099 1228 L HN 0.681 nan 8.230 nan 0.000 0.516 1229 D N -0.079 120.401 120.400 0.134 0.000 2.348 1229 D HA 0.180 4.820 4.640 0.000 0.000 0.249 1229 D C -0.351 176.195 176.300 0.410 0.000 1.110 1229 D CA -0.504 53.652 54.000 0.261 0.000 0.967 1229 D CB 0.549 41.452 40.800 0.171 0.000 1.139 1229 D HN 0.298 nan 8.370 nan 0.000 0.466 1230 Q N 1.272 121.251 119.800 0.298 0.000 2.304 1230 Q HA 0.260 4.600 4.340 0.000 0.000 0.260 1230 Q C -2.054 174.021 176.000 0.126 0.000 0.965 1230 Q CA -1.395 54.545 55.803 0.229 0.000 0.898 1230 Q CB 0.298 29.117 28.738 0.135 0.000 1.196 1230 Q HN 0.263 nan 8.270 nan 0.000 0.402 1231 P HA 0.043 nan 4.420 nan 0.000 0.274 1231 P C -0.593 176.650 177.300 -0.094 0.000 1.260 1231 P CA -0.410 62.597 63.100 -0.154 0.000 0.793 1231 P CB 0.550 31.996 31.700 -0.423 0.000 1.048 1232 D N 1.679 122.017 120.400 -0.104 0.000 2.425 1232 D HA -0.029 4.612 4.640 0.000 0.000 0.247 1232 D C 0.681 176.935 176.300 -0.077 0.000 1.147 1232 D CA 0.545 54.502 54.000 -0.072 0.000 0.879 1232 D CB -0.169 40.590 40.800 -0.068 0.000 1.179 1232 D HN 0.373 nan 8.370 nan 0.000 0.456 1233 N N -0.022 118.646 118.700 -0.054 0.000 2.778 1233 N HA -0.224 4.516 4.740 0.000 0.000 0.249 1233 N C 0.217 175.690 175.510 -0.061 0.000 1.069 1233 N CA 0.407 53.426 53.050 -0.052 0.000 0.831 1233 N CB -1.848 36.605 38.487 -0.057 0.000 1.142 1233 N HN 0.506 nan 8.380 nan 0.000 0.573 1234 C N 2.711 121.970 119.300 -0.068 0.000 2.517 1234 C HA 0.120 4.580 4.460 0.000 0.000 0.403 1234 C C -1.454 173.502 174.990 -0.058 0.000 1.467 1234 C CA -0.984 57.989 59.018 -0.076 0.000 1.542 1234 C CB -0.659 27.038 27.740 -0.072 0.000 2.482 1234 C HN 0.197 nan 8.230 nan 0.000 0.610 1235 P HA 0.199 nan 4.420 nan 0.000 0.264 1235 P C 0.720 177.991 177.300 -0.050 0.000 1.183 1235 P CA 1.119 64.186 63.100 -0.054 0.000 0.763 1235 P CB 0.449 32.114 31.700 -0.059 0.000 0.807 1236 E N 3.572 123.748 120.200 -0.039 0.000 2.153 1236 E HA -0.258 4.092 4.350 0.000 0.000 0.194 1236 E C 2.009 178.582 176.600 -0.045 0.000 0.988 1236 E CA 1.542 57.921 56.400 -0.035 0.000 0.811 1236 E CB -0.821 28.864 29.700 -0.025 0.000 0.746 1236 E HN 0.482 nan 8.360 nan 0.000 0.466 1237 R N -0.262 120.210 120.500 -0.048 0.000 2.081 1237 R HA -0.094 4.246 4.340 0.000 0.000 0.235 1237 R C 2.390 178.650 176.300 -0.067 0.000 1.131 1237 R CA 1.592 57.660 56.100 -0.052 0.000 0.960 1237 R CB -0.411 29.860 30.300 -0.048 0.000 0.856 1237 R HN 0.373 nan 8.270 nan 0.000 0.436 1238 V N 0.005 119.873 119.914 -0.075 0.000 2.548 1238 V HA -0.162 3.958 4.120 0.000 0.000 0.249 1238 V C 2.082 178.102 176.094 -0.122 0.000 1.055 1238 V CA 2.057 64.297 62.300 -0.100 0.000 1.065 1238 V CB -0.340 31.421 31.823 -0.102 0.000 0.681 1238 V HN 0.425 nan 8.190 nan 0.000 0.462 1239 T N -0.234 114.265 114.554 -0.092 0.000 2.833 1239 T HA -0.184 4.166 4.350 0.000 0.000 0.269 1239 T C 1.622 176.254 174.700 -0.115 0.000 1.054 1239 T CA 1.591 63.640 62.100 -0.085 0.000 1.135 1239 T CB -0.326 68.520 68.868 -0.035 0.000 0.869 1239 T HN 0.482 nan 8.240 nan 0.000 0.466 1240 D N 1.026 121.367 120.400 -0.098 0.000 2.097 1240 D HA 0.013 4.653 4.640 0.000 0.000 0.197 1240 D C 2.196 178.411 176.300 -0.143 0.000 0.984 1240 D CA 0.685 54.626 54.000 -0.099 0.000 0.826 1240 D CB -0.353 40.405 40.800 -0.070 0.000 0.973 1240 D HN 0.315 nan 8.370 nan 0.000 0.460 1241 L N 0.224 121.359 121.223 -0.148 0.000 1.989 1241 L HA -0.190 4.151 4.340 0.000 0.000 0.211 1241 L C 2.696 179.377 176.870 -0.315 0.000 1.071 1241 L CA 1.027 55.769 54.840 -0.164 0.000 0.749 1241 L CB -0.368 41.629 42.059 -0.104 0.000 0.890 1241 L HN 0.045 nan 8.230 nan 0.000 0.431 1242 M N -0.600 118.729 119.600 -0.451 0.000 2.106 1242 M HA -0.289 4.191 4.480 0.000 0.000 0.259 1242 M C 2.916 178.700 176.300 -0.859 0.000 1.068 1242 M CA 2.441 57.196 55.300 -0.908 0.000 1.100 1242 M CB -0.601 31.456 32.600 -0.904 0.000 1.351 1242 M HN 0.330 nan 8.290 nan 0.000 0.404 1243 R N 0.024 120.262 120.500 -0.437 0.000 2.081 1243 R HA -0.117 4.223 4.340 0.000 0.000 0.235 1243 R C 1.663 177.821 176.300 -0.236 0.000 1.131 1243 R CA 1.854 57.785 56.100 -0.282 0.000 0.960 1243 R CB -1.416 28.789 30.300 -0.158 0.000 0.856 1243 R HN 0.324 nan 8.270 nan 0.000 0.436 1244 M N 0.063 119.532 119.600 -0.219 0.000 2.229 1244 M HA -0.035 4.445 4.480 0.000 0.000 0.264 1244 M C 2.476 178.680 176.300 -0.160 0.000 1.063 1244 M CA 0.908 56.120 55.300 -0.146 0.000 1.114 1244 M CB -1.175 31.354 32.600 -0.119 0.000 1.387 1244 M HN 0.486 nan 8.290 nan 0.000 0.420 1245 C N -1.226 117.888 119.300 -0.311 0.000 2.446 1245 C HA -0.110 4.350 4.460 0.000 0.000 0.279 1245 C C 1.745 176.611 174.990 -0.207 0.000 1.366 1245 C CA 0.093 58.921 59.018 -0.316 0.000 1.763 1245 C CB -0.958 26.445 27.740 -0.562 0.000 1.929 1245 C HN 0.600 nan 8.230 nan 0.000 0.509 1246 W N 0.825 121.941 121.300 -0.306 0.000 3.194 1246 W HA 0.318 4.978 4.660 0.000 0.000 0.408 1246 W C 0.422 176.928 176.519 -0.021 0.000 1.072 1246 W CA -0.649 56.435 57.345 -0.435 0.000 1.953 1246 W CB -1.065 27.910 29.460 -0.809 0.000 1.091 1246 W HN 0.347 nan 8.180 nan 0.000 0.699 1247 Q N 0.269 120.200 119.800 0.218 0.000 2.330 1247 Q HA -0.063 4.277 4.340 0.000 0.000 0.279 1247 Q C 1.110 177.321 176.000 0.352 0.000 1.024 1247 Q CA 0.097 56.033 55.803 0.221 0.000 0.900 1247 Q CB 0.631 29.449 28.738 0.133 0.000 1.221 1247 Q HN 0.193 nan 8.270 nan 0.000 0.396 1248 F N 2.104 122.177 119.950 0.206 0.000 2.171 1248 F HA -0.140 4.387 4.527 0.000 0.000 0.300 1248 F C 1.047 176.914 175.800 0.111 0.000 1.090 1248 F CA 0.937 59.045 58.000 0.180 0.000 1.293 1248 F CB 0.338 39.404 39.000 0.111 0.000 1.013 1248 F HN 0.465 nan 8.300 nan 0.000 0.486 1249 N N 1.618 120.441 118.700 0.204 0.000 2.408 1249 N HA 0.089 4.830 4.740 0.000 0.000 0.257 1249 N C -1.757 173.781 175.510 0.047 0.000 1.064 1249 N CA -2.039 51.066 53.050 0.092 0.000 0.952 1249 N CB 1.137 39.700 38.487 0.126 0.000 1.093 1249 N HN -0.005 nan 8.380 nan 0.000 0.490 1250 P HA -0.201 nan 4.420 nan 0.000 0.217 1250 P C 0.418 177.736 177.300 0.031 0.000 1.148 1250 P CA 1.487 64.596 63.100 0.014 0.000 0.834 1250 P CB 0.045 31.731 31.700 -0.023 0.000 0.783 1251 N N -1.733 116.984 118.700 0.029 0.000 2.461 1251 N HA 0.009 4.749 4.740 0.000 0.000 0.188 1251 N C 1.469 176.996 175.510 0.029 0.000 1.134 1251 N CA 0.069 53.135 53.050 0.027 0.000 0.878 1251 N CB -0.270 38.232 38.487 0.026 0.000 0.972 1251 N HN 0.039 nan 8.380 nan 0.000 0.456 1252 M N 0.810 120.436 119.600 0.042 0.000 2.501 1252 M HA 0.140 4.620 4.480 0.000 0.000 0.261 1252 M C 0.655 176.970 176.300 0.026 0.000 1.129 1252 M CA 0.389 55.714 55.300 0.041 0.000 1.126 1252 M CB -0.236 32.404 32.600 0.067 0.000 1.359 1252 M HN 0.088 nan 8.290 nan 0.000 0.471 1253 R N 1.342 121.859 120.500 0.029 0.000 2.641 1253 R HA 0.221 4.561 4.340 0.000 0.000 0.269 1253 R C -2.055 174.218 176.300 -0.046 0.000 1.074 1253 R CA -1.199 54.900 56.100 -0.001 0.000 1.133 1253 R CB -0.332 29.986 30.300 0.030 0.000 1.029 1253 R HN 0.080 nan 8.270 nan 0.000 0.488 1254 P HA 0.061 nan 4.420 nan 0.000 0.276 1254 P C -0.669 176.509 177.300 -0.203 0.000 1.261 1254 P CA -0.430 62.597 63.100 -0.122 0.000 0.800 1254 P CB 0.904 32.526 31.700 -0.130 0.000 1.066 1255 T N -2.827 111.627 114.554 -0.167 0.000 2.943 1255 T HA 0.337 4.687 4.350 0.000 0.000 0.284 1255 T C 1.052 175.604 174.700 -0.247 0.000 1.015 1255 T CA -0.430 61.561 62.100 -0.182 0.000 1.042 1255 T CB 0.217 69.076 68.868 -0.015 0.000 1.055 1255 T HN 0.088 nan 8.240 nan 0.000 0.500 1256 F N 0.353 120.272 119.950 -0.052 0.000 2.161 1256 F HA 0.034 4.561 4.527 0.000 0.000 0.300 1256 F C 2.243 178.033 175.800 -0.016 0.000 1.089 1256 F CA 1.074 59.007 58.000 -0.112 0.000 1.282 1256 F CB -0.809 38.140 39.000 -0.085 0.000 1.010 1256 F HN 0.452 nan 8.300 nan 0.000 0.485 1257 L N -0.412 120.960 121.223 0.247 0.000 2.017 1257 L HA -0.230 4.110 4.340 0.000 0.000 0.208 1257 L C 2.349 179.315 176.870 0.161 0.000 1.073 1257 L CA 1.530 56.546 54.840 0.294 0.000 0.745 1257 L CB -0.680 41.561 42.059 0.304 0.000 0.894 1257 L HN 0.123 nan 8.230 nan 0.000 0.432 1258 E N 0.114 120.358 120.200 0.073 0.000 2.118 1258 E HA -0.222 4.129 4.350 0.000 0.000 0.195 1258 E C 2.260 178.828 176.600 -0.053 0.000 0.992 1258 E CA 1.124 57.532 56.400 0.013 0.000 0.804 1258 E CB -0.012 29.677 29.700 -0.018 0.000 0.741 1258 E HN 0.449 nan 8.360 nan 0.000 0.458 1259 I N 0.307 120.822 120.570 -0.091 0.000 2.179 1259 I HA -0.252 3.919 4.170 0.000 0.000 0.242 1259 I C 2.243 178.283 176.117 -0.127 0.000 1.088 1259 I CA 0.879 62.112 61.300 -0.111 0.000 1.357 1259 I CB -0.343 37.549 38.000 -0.180 0.000 1.051 1259 I HN 0.049 nan 8.210 nan 0.000 0.409 1260 V N 1.177 120.993 119.914 -0.164 0.000 2.295 1260 V HA -0.296 3.824 4.120 0.000 0.000 0.246 1260 V C 2.237 178.025 176.094 -0.511 0.000 1.049 1260 V CA 2.346 64.449 62.300 -0.329 0.000 1.024 1260 V CB -1.046 30.526 31.823 -0.417 0.000 0.648 1260 V HN 0.467 nan 8.190 nan 0.000 0.447 1261 N N 0.322 118.721 118.700 -0.502 0.000 2.137 1261 N HA -0.197 4.543 4.740 0.000 0.000 0.190 1261 N C 1.536 176.961 175.510 -0.142 0.000 1.017 1261 N CA 1.334 54.208 53.050 -0.293 0.000 0.859 1261 N CB -0.317 38.190 38.487 0.033 0.000 1.002 1261 N HN 0.410 nan 8.380 nan 0.000 0.428 1262 L N -0.261 120.891 121.223 -0.119 0.000 2.376 1262 L HA 0.155 4.495 4.340 0.000 0.000 0.219 1262 L C 0.998 177.814 176.870 -0.090 0.000 1.133 1262 L CA 1.268 56.062 54.840 -0.078 0.000 0.816 1262 L CB 0.053 42.074 42.059 -0.064 0.000 0.933 1262 L HN 0.284 nan 8.230 nan 0.000 0.449 1263 L N -1.727 119.414 121.223 -0.137 0.000 2.920 1263 L HA 0.128 4.469 4.340 0.000 0.000 0.257 1263 L C 2.055 178.826 176.870 -0.165 0.000 1.150 1263 L CA 0.182 54.936 54.840 -0.142 0.000 0.959 1263 L CB -0.351 41.613 42.059 -0.159 0.000 1.321 1263 L HN 0.168 nan 8.230 nan 0.000 0.555 1264 K N 0.388 120.695 120.400 -0.157 0.000 2.127 1264 K HA -0.234 4.086 4.320 0.000 0.000 0.208 1264 K C 0.932 177.543 176.600 0.017 0.000 1.047 1264 K CA 2.074 58.336 56.287 -0.041 0.000 0.927 1264 K CB -0.298 32.236 32.500 0.056 0.000 0.716 1264 K HN 0.248 nan 8.250 nan 0.000 0.450 1265 D N 1.858 122.257 120.400 -0.002 0.000 2.103 1265 D HA -0.097 4.544 4.640 0.000 0.000 0.199 1265 D C 0.440 176.726 176.300 -0.023 0.000 0.978 1265 D CA 1.116 55.120 54.000 0.006 0.000 0.829 1265 D CB -0.215 40.588 40.800 0.005 0.000 0.981 1265 D HN 0.417 nan 8.370 nan 0.000 0.464 1266 D N 1.130 121.498 120.400 -0.052 0.000 3.038 1266 D HA 0.146 4.786 4.640 0.000 0.000 0.243 1266 D C 0.395 176.645 176.300 -0.084 0.000 1.245 1266 D CA 0.123 54.088 54.000 -0.059 0.000 0.871 1266 D CB 0.357 41.122 40.800 -0.058 0.000 1.089 1266 D HN 0.198 nan 8.370 nan 0.000 0.464 1267 L N -0.145 121.027 121.223 -0.085 0.000 2.333 1267 L HA 0.240 4.580 4.340 0.000 0.000 0.263 1267 L C 0.561 177.438 176.870 0.012 0.000 1.014 1267 L CA -1.146 53.632 54.840 -0.102 0.000 0.820 1267 L CB 2.476 44.347 42.059 -0.313 0.000 1.352 1267 L HN 0.172 nan 8.230 nan 0.000 0.421 1268 H N 3.928 122.991 119.070 -0.012 0.000 3.064 1268 H HA -0.008 4.548 4.556 0.000 0.000 0.329 1268 H C -1.734 173.646 175.328 0.088 0.000 1.020 1268 H CA -0.699 55.378 56.048 0.048 0.000 1.402 1268 H CB 1.375 31.186 29.762 0.081 0.000 1.379 1268 H HN 0.339 nan 8.280 nan 0.000 0.594 1269 P HA -0.193 nan 4.420 nan 0.000 0.218 1269 P C 1.480 178.872 177.300 0.153 0.000 1.146 1269 P CA 1.521 64.594 63.100 -0.045 0.000 0.813 1269 P CB 0.191 31.786 31.700 -0.176 0.000 0.778 1270 S N -1.678 114.291 115.700 0.448 0.000 2.453 1270 S HA -0.113 4.358 4.470 0.000 0.000 0.231 1270 S C 1.719 176.447 174.600 0.213 0.000 1.005 1270 S CA 0.036 58.413 58.200 0.296 0.000 0.949 1270 S CB -1.145 62.216 63.200 0.267 0.000 0.774 1270 S HN -0.082 nan 8.310 nan 0.000 0.510 1271 F N 3.334 123.378 119.950 0.157 0.000 2.063 1271 F HA -0.065 4.462 4.527 0.000 0.000 0.298 1271 F C -1.097 174.742 175.800 0.064 0.000 1.105 1271 F CA 1.791 59.873 58.000 0.136 0.000 1.215 1271 F CB -1.480 37.608 39.000 0.147 0.000 0.972 1271 F HN 0.283 nan 8.300 nan 0.000 0.483 1272 P HA -0.168 nan 4.420 nan 0.000 0.219 1272 P C 0.965 178.165 177.300 -0.167 0.000 1.146 1272 P CA 1.927 64.799 63.100 -0.380 0.000 0.808 1272 P CB -0.142 31.303 31.700 -0.425 0.000 0.779 1273 E N -0.979 119.154 120.200 -0.113 0.000 2.299 1273 E HA -0.047 4.303 4.350 0.000 0.000 0.193 1273 E C 1.609 178.118 176.600 -0.152 0.000 0.998 1273 E CA 1.052 57.392 56.400 -0.099 0.000 0.851 1273 E CB -0.076 29.580 29.700 -0.074 0.000 0.795 1273 E HN 0.267 nan 8.360 nan 0.000 0.492 1274 V N -1.804 117.976 119.914 -0.224 0.000 3.484 1274 V HA 0.109 4.229 4.120 0.000 0.000 0.252 1274 V C 1.031 176.971 176.094 -0.256 0.000 1.282 1274 V CA -0.052 62.053 62.300 -0.325 0.000 1.104 1274 V CB 0.272 31.721 31.823 -0.622 0.000 0.868 1274 V HN 0.107 nan 8.190 nan 0.000 0.457 1275 S N 0.570 116.088 115.700 -0.303 0.000 2.566 1275 S HA 0.115 4.586 4.470 0.000 0.000 0.280 1275 S C 0.721 175.369 174.600 0.080 0.000 1.343 1275 S CA 0.490 58.578 58.200 -0.186 0.000 1.036 1275 S CB 0.351 63.208 63.200 -0.572 0.000 0.866 1275 S HN 0.612 nan 8.310 nan 0.000 0.526 1276 F N 2.557 122.566 119.950 0.098 0.000 2.234 1276 F HA 0.085 4.612 4.527 0.000 0.000 0.296 1276 F C 1.601 177.486 175.800 0.142 0.000 1.089 1276 F CA 0.407 58.483 58.000 0.127 0.000 1.343 1276 F CB -0.706 38.422 39.000 0.213 0.000 1.040 1276 F HN 0.729 nan 8.300 nan 0.000 0.498 1277 F N 1.250 121.092 119.950 -0.181 0.000 2.063 1277 F HA -0.286 4.241 4.527 0.001 0.000 0.298 1277 F C 2.022 177.574 175.800 -0.413 0.000 1.109 1277 F CA 2.407 60.200 58.000 -0.346 0.000 1.212 1277 F CB -0.726 38.185 39.000 -0.149 0.000 0.973 1277 F HN 0.073 nan 8.300 nan 0.000 0.480 1278 H N -0.938 118.115 119.070 -0.029 0.000 2.536 1278 H HA 0.184 4.740 4.556 0.000 0.000 0.276 1278 H C 0.849 176.086 175.328 -0.151 0.000 1.019 1278 H CA 0.309 56.301 56.048 -0.094 0.000 1.159 1278 H CB -0.234 29.557 29.762 0.049 0.000 1.373 1278 H HN 0.059 nan 8.280 nan 0.000 0.584 1279 S N 0.162 115.779 115.700 -0.137 0.000 2.617 1279 S HA 0.245 4.715 4.470 0.000 0.000 0.269 1279 S C 1.761 176.284 174.600 -0.129 0.000 1.292 1279 S CA 0.141 58.283 58.200 -0.096 0.000 1.010 1279 S CB 1.115 64.292 63.200 -0.038 0.000 0.944 1279 S HN 0.573 nan 8.310 nan 0.000 0.536 1280 E N 1.325 121.495 120.200 -0.050 0.000 2.208 1280 E HA -0.076 4.274 4.350 0.000 0.000 0.193 1280 E C 1.726 178.308 176.600 -0.031 0.000 0.988 1280 E CA 1.471 57.845 56.400 -0.043 0.000 0.828 1280 E CB -0.924 28.771 29.700 -0.008 0.000 0.763 1280 E HN 0.897 nan 8.360 nan 0.000 0.478 1281 E N 0.165 120.378 120.200 0.022 0.000 2.153 1281 E HA -0.150 4.201 4.350 0.000 0.000 0.194 1281 E C 0.685 177.315 176.600 0.050 0.000 0.988 1281 E CA 0.720 57.191 56.400 0.119 0.000 0.811 1281 E CB -0.099 29.797 29.700 0.327 0.000 0.746 1281 E HN 0.400 nan 8.360 nan 0.000 0.466 1282 N N 0.726 119.287 118.700 -0.232 0.000 2.971 1282 N HA 0.033 4.774 4.740 0.000 0.000 0.294 1282 N C -0.734 174.641 175.510 -0.225 0.000 1.210 1282 N CA 0.181 52.988 53.050 -0.405 0.000 1.157 1282 N CB 0.045 37.991 38.487 -0.901 0.000 1.450 1282 N HN 0.071 nan 8.380 nan 0.000 0.527 1283 K N 0.000 120.348 120.400 -0.087 0.000 2.780 1283 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1283 K CA 0.000 56.248 56.287 -0.064 0.000 0.838 1283 K CB 0.000 32.485 32.500 -0.025 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543