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 2vxr_1_A DATA FIRST_RESID 868 DATA SEQUENCE NAILSLSYRG GRLIDSSGYG ATMNVGSDVI FNDIGNGQFK LNNSENSNIT DATA SEQUENCE AHQSKFVVYD SMFDNFSINF WVRTPKYNNN DIQTYLQNEY TIISCIKNDS DATA SEQUENCE GWKVSIKGNR IIWTLIDVNA KSKSIFFEYS IKDNISDYIN KWFSITITND DATA SEQUENCE RLGNANIYIN GSLKKSEKIL NLDRINSSND IDFKLINCTD TTKFVWIKDF DATA SEQUENCE NIFGRELNAT EVSSLYWIQS STNTLKDFWG NPLRYDTQYY LFNQGMQNIY DATA SEQUENCE IKYFSKASMG ETAPRTNFNN AAINYQNLYL GLRFIIKKAS NSRNINNDNI DATA SEQUENCE VREGDYIYLN IDNISDESYR VYVLVNSKEI QTQLFLAPIN DDPTFYDVLQ DATA SEQUENCE IKKYYEKTTY NCQILCEKDT KTFGLFGIGK FVKDYXXXWD TYDNYFCISQ DATA SEQUENCE WYLRRISENI NKLRLGCNWQ FIPVDEGWTE L 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 868 N HA 0.000 nan 4.740 nan 0.000 0.220 868 N C 0.000 175.626 175.510 0.193 0.000 1.280 868 N CA 0.000 53.191 53.050 0.235 0.000 0.885 868 N CB 0.000 38.617 38.487 0.216 0.000 1.341 869 A N 1.390 124.211 122.820 0.001 0.000 2.531 869 A HA 0.197 4.515 4.320 -0.003 0.000 0.236 869 A C 1.495 178.984 177.584 -0.158 0.000 1.062 869 A CA -0.185 51.557 52.037 -0.491 0.000 0.760 869 A CB -0.119 18.538 19.000 -0.572 0.000 0.995 869 A HN 0.619 nan 8.150 nan 0.000 0.501 870 I N -0.143 120.248 120.570 -0.299 0.000 3.883 870 I HA 0.529 4.697 4.170 -0.003 0.000 0.326 870 I C -0.017 175.982 176.117 -0.197 0.000 1.283 870 I CA 0.274 61.293 61.300 -0.469 0.000 1.161 870 I CB -0.068 37.606 38.000 -0.543 0.000 1.012 870 I HN 0.439 nan 8.210 nan 0.000 0.421 871 L N 0.583 121.764 121.223 -0.070 0.000 2.565 871 L HA 0.538 4.876 4.340 -0.003 0.000 0.261 871 L C -1.593 175.325 176.870 0.079 0.000 0.932 871 L CA -0.061 54.836 54.840 0.094 0.000 0.878 871 L CB 2.144 44.320 42.059 0.196 0.000 1.333 871 L HN -0.010 nan 8.230 nan 0.000 0.409 872 S N 5.529 121.319 115.700 0.151 0.000 2.776 872 S HA 0.525 4.993 4.470 -0.003 0.000 0.284 872 S C -0.809 173.919 174.600 0.214 0.000 1.160 872 S CA -0.536 57.757 58.200 0.157 0.000 1.051 872 S CB 1.333 64.588 63.200 0.091 0.000 1.037 872 S HN 0.467 nan 8.310 nan 0.000 0.485 873 L N 2.822 124.228 121.223 0.305 0.000 2.331 873 L HA 0.533 4.871 4.340 -0.003 0.000 0.278 873 L C 0.172 177.179 176.870 0.229 0.000 1.106 873 L CA -0.019 54.977 54.840 0.260 0.000 0.824 873 L CB 1.076 43.309 42.059 0.290 0.000 1.142 873 L HN 0.548 nan 8.230 nan 0.000 0.443 874 S N 1.976 117.780 115.700 0.173 0.000 2.549 874 S HA 0.445 4.913 4.470 -0.003 0.000 0.280 874 S C -1.377 173.320 174.600 0.161 0.000 1.109 874 S CA -0.542 57.752 58.200 0.157 0.000 0.905 874 S CB 1.944 65.197 63.200 0.089 0.000 1.081 874 S HN 0.411 nan 8.310 nan 0.000 0.477 875 Y N 3.913 124.248 120.300 0.060 0.000 2.345 875 Y HA 0.631 5.179 4.550 -0.003 0.000 0.331 875 Y C -0.155 175.740 175.900 -0.008 0.000 0.959 875 Y CA -0.513 57.583 58.100 -0.006 0.000 1.204 875 Y CB 0.513 39.010 38.460 0.061 0.000 1.135 875 Y HN 0.758 nan 8.280 nan 0.000 0.477 876 R N 2.931 123.201 120.500 -0.383 0.000 2.643 876 R HA 0.620 4.958 4.340 -0.003 0.000 0.269 876 R C 0.123 176.224 176.300 -0.333 0.000 1.037 876 R CA -0.767 55.184 56.100 -0.248 0.000 0.894 876 R CB 1.194 31.433 30.300 -0.102 0.000 1.238 876 R HN 0.882 nan 8.270 nan 0.000 0.459 877 G N 0.357 109.026 108.800 -0.218 0.000 2.305 877 G HA2 -0.043 3.916 3.960 -0.003 0.000 0.287 877 G HA3 -0.043 3.916 3.960 -0.003 0.000 0.287 877 G C 0.925 175.665 174.900 -0.267 0.000 1.036 877 G CA 0.785 45.775 45.100 -0.184 0.000 0.887 877 G HN 1.943 nan 8.290 nan 0.000 0.505 878 G N -1.382 107.172 108.800 -0.410 0.000 2.143 878 G HA2 -0.089 3.869 3.960 -0.003 0.000 0.248 878 G HA3 -0.089 3.869 3.960 -0.003 0.000 0.248 878 G C 0.288 174.836 174.900 -0.587 0.000 0.991 878 G CA 1.306 46.181 45.100 -0.374 0.000 0.689 878 G HN 2.038 nan 8.290 nan 0.000 0.522 879 R N -1.676 118.268 120.500 -0.927 0.000 2.740 879 R HA 0.766 5.104 4.340 -0.003 0.000 0.273 879 R C -1.142 174.750 176.300 -0.680 0.000 0.998 879 R CA -1.336 54.380 56.100 -0.639 0.000 0.900 879 R CB 1.329 31.439 30.300 -0.316 0.000 1.223 879 R HN 0.319 nan 8.270 nan 0.000 0.466 880 L N 3.740 124.743 121.223 -0.368 0.000 2.281 880 L HA 0.470 4.808 4.340 -0.003 0.000 0.285 880 L C -0.374 176.433 176.870 -0.105 0.000 1.074 880 L CA -0.314 54.426 54.840 -0.166 0.000 0.817 880 L CB 0.761 42.725 42.059 -0.158 0.000 1.168 880 L HN 0.717 nan 8.230 nan 0.000 0.434 881 I N 0.213 120.753 120.570 -0.049 0.000 3.108 881 I HA 0.587 4.755 4.170 -0.003 0.000 0.312 881 I C -0.992 175.155 176.117 0.051 0.000 1.095 881 I CA -1.000 60.293 61.300 -0.011 0.000 1.000 881 I CB 2.034 40.017 38.000 -0.029 0.000 1.229 881 I HN 0.417 nan 8.210 nan 0.000 0.454 882 D N 1.932 122.375 120.400 0.072 0.000 2.396 882 D HA 0.249 4.888 4.640 -0.003 0.000 0.225 882 D C 0.703 177.059 176.300 0.092 0.000 1.121 882 D CA -0.371 53.697 54.000 0.113 0.000 0.853 882 D CB 1.355 42.240 40.800 0.142 0.000 1.043 882 D HN 0.636 nan 8.370 nan 0.000 0.500 883 S N 1.444 117.199 115.700 0.091 0.000 2.593 883 S HA -0.078 4.390 4.470 -0.003 0.000 0.217 883 S C 1.712 176.359 174.600 0.078 0.000 0.966 883 S CA 0.332 58.573 58.200 0.068 0.000 0.914 883 S CB -0.261 62.974 63.200 0.059 0.000 0.776 883 S HN 0.378 nan 8.310 nan 0.000 0.523 884 S N 1.200 116.971 115.700 0.118 0.000 2.428 884 S HA 0.290 4.758 4.470 -0.003 0.000 0.230 884 S C 1.842 176.510 174.600 0.114 0.000 1.014 884 S CA 0.817 59.112 58.200 0.159 0.000 0.957 884 S CB -0.932 62.423 63.200 0.259 0.000 0.784 884 S HN 1.447 nan 8.310 nan 0.000 0.499 885 G N -0.173 108.666 108.800 0.065 0.000 2.176 885 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.253 885 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.253 885 G C 0.301 175.121 174.900 -0.134 0.000 0.979 885 G CA 0.379 45.447 45.100 -0.053 0.000 0.641 885 G HN 0.595 nan 8.290 nan 0.000 0.530 886 Y N 0.485 120.819 120.300 0.057 0.000 2.466 886 Y HA 0.388 4.936 4.550 -0.003 0.000 0.272 886 Y C 2.120 178.083 175.900 0.105 0.000 1.169 886 Y CA 0.856 59.004 58.100 0.081 0.000 1.285 886 Y CB 0.635 39.154 38.460 0.098 0.000 1.078 886 Y HN 1.002 nan 8.280 nan 0.000 0.523 887 G N 0.493 109.415 108.800 0.203 0.000 2.171 887 G HA2 -0.170 3.789 3.960 -0.003 0.000 0.238 887 G HA3 -0.170 3.789 3.960 -0.003 0.000 0.238 887 G C 0.224 175.228 174.900 0.174 0.000 1.039 887 G CA -0.114 45.080 45.100 0.157 0.000 0.759 887 G HN 0.594 nan 8.290 nan 0.000 0.501 888 A N 0.121 123.052 122.820 0.185 0.000 2.445 888 A HA 0.729 5.047 4.320 -0.003 0.000 0.242 888 A C 0.979 178.655 177.584 0.154 0.000 1.075 888 A CA 1.166 53.312 52.037 0.181 0.000 0.777 888 A CB 0.321 19.433 19.000 0.186 0.000 1.013 888 A HN 1.849 nan 8.150 nan 0.000 0.493 889 T N 0.509 115.164 114.554 0.168 0.000 2.888 889 T HA 0.728 5.076 4.350 -0.003 0.000 0.284 889 T C -0.231 174.534 174.700 0.108 0.000 1.017 889 T CA -0.936 61.231 62.100 0.113 0.000 1.022 889 T CB 1.101 70.020 68.868 0.085 0.000 1.013 889 T HN 0.458 nan 8.240 nan 0.000 0.465 890 M N 2.898 122.534 119.600 0.060 0.000 2.508 890 M HA 0.517 4.995 4.480 -0.003 0.000 0.327 890 M C -0.550 175.766 176.300 0.028 0.000 1.160 890 M CA -0.988 54.340 55.300 0.046 0.000 0.980 890 M CB 1.486 34.092 32.600 0.010 0.000 1.693 890 M HN 0.775 nan 8.290 nan 0.000 0.452 891 N N 1.945 120.665 118.700 0.033 0.000 2.448 891 N HA 0.558 5.296 4.740 -0.003 0.000 0.279 891 N C -2.112 173.414 175.510 0.027 0.000 1.025 891 N CA -0.224 52.840 53.050 0.023 0.000 0.898 891 N CB 1.577 40.077 38.487 0.021 0.000 1.303 891 N HN 0.448 nan 8.380 nan 0.000 0.495 892 V N 1.685 121.619 119.914 0.034 0.000 2.459 892 V HA 0.655 4.773 4.120 -0.003 0.000 0.295 892 V C 1.310 177.433 176.094 0.049 0.000 1.029 892 V CA -0.908 61.429 62.300 0.062 0.000 0.874 892 V CB 1.390 33.299 31.823 0.143 0.000 0.985 892 V HN 0.662 nan 8.190 nan 0.000 0.438 893 G N 2.042 110.859 108.800 0.029 0.000 2.651 893 G HA2 0.321 4.279 3.960 -0.003 0.000 0.260 893 G HA3 0.321 4.279 3.960 -0.003 0.000 0.260 893 G C 0.984 175.898 174.900 0.023 0.000 1.216 893 G CA 0.274 45.382 45.100 0.014 0.000 0.913 893 G HN 0.938 nan 8.290 nan 0.000 0.535 894 S N -1.673 114.033 115.700 0.010 0.000 2.561 894 S HA -0.004 4.465 4.470 -0.003 0.000 0.225 894 S C 0.756 175.354 174.600 -0.003 0.000 0.977 894 S CA 0.907 59.115 58.200 0.014 0.000 0.926 894 S CB 0.291 63.495 63.200 0.007 0.000 0.769 894 S HN 0.505 nan 8.310 nan 0.000 0.533 895 D N 1.222 121.604 120.400 -0.030 0.000 2.891 895 D HA 0.320 4.958 4.640 -0.003 0.000 0.312 895 D C -0.931 175.298 176.300 -0.119 0.000 1.354 895 D CA -0.252 53.711 54.000 -0.061 0.000 0.838 895 D CB 0.608 41.375 40.800 -0.056 0.000 1.117 895 D HN 0.100 nan 8.370 nan 0.000 0.473 896 V N 1.283 121.104 119.914 -0.154 0.000 2.483 896 V HA 0.455 4.573 4.120 -0.003 0.000 0.295 896 V C 0.552 176.405 176.094 -0.402 0.000 1.035 896 V CA -0.832 61.259 62.300 -0.349 0.000 0.896 896 V CB 1.917 33.412 31.823 -0.546 0.000 0.986 896 V HN 0.086 nan 8.190 nan 0.000 0.447 897 I N 4.522 124.813 120.570 -0.465 0.000 2.353 897 I HA 0.447 4.616 4.170 -0.003 0.000 0.293 897 I C -0.741 175.103 176.117 -0.455 0.000 0.992 897 I CA 0.139 61.235 61.300 -0.340 0.000 1.268 897 I CB 0.868 38.718 38.000 -0.251 0.000 1.387 897 I HN 0.408 nan 8.210 nan 0.000 0.478 898 F N 4.500 124.382 119.950 -0.112 0.000 2.561 898 F HA 0.499 5.024 4.527 -0.003 0.000 0.321 898 F C 0.019 175.697 175.800 -0.204 0.000 1.065 898 F CA -0.702 57.125 58.000 -0.289 0.000 0.934 898 F CB 1.759 40.184 39.000 -0.958 0.000 1.215 898 F HN 0.530 nan 8.300 nan 0.000 0.471 899 N N -1.286 117.460 118.700 0.076 0.000 2.647 899 N HA 0.309 5.047 4.740 -0.003 0.000 0.266 899 N C -1.178 174.445 175.510 0.188 0.000 1.373 899 N CA -0.891 52.228 53.050 0.114 0.000 0.807 899 N CB 1.123 39.702 38.487 0.154 0.000 1.513 899 N HN 0.439 nan 8.380 nan 0.000 0.505 900 D N -0.292 120.256 120.400 0.245 0.000 2.427 900 D HA 0.140 4.778 4.640 -0.003 0.000 0.224 900 D C -0.197 176.167 176.300 0.107 0.000 1.157 900 D CA -0.330 53.826 54.000 0.260 0.000 0.828 900 D CB -0.498 40.444 40.800 0.237 0.000 0.974 900 D HN 0.591 nan 8.370 nan 0.000 0.498 901 I N 1.125 121.728 120.570 0.055 0.000 2.662 901 I HA 0.192 4.360 4.170 -0.003 0.000 0.285 901 I C 1.813 177.879 176.117 -0.085 0.000 1.161 901 I CA 0.797 62.074 61.300 -0.039 0.000 1.415 901 I CB 0.210 38.157 38.000 -0.089 0.000 1.385 901 I HN 0.303 nan 8.210 nan 0.000 0.552 902 G N 6.322 115.060 108.800 -0.104 0.000 2.596 902 G HA2 -0.365 3.593 3.960 -0.003 0.000 0.304 902 G HA3 -0.365 3.593 3.960 -0.003 0.000 0.304 902 G C 0.775 175.633 174.900 -0.071 0.000 1.189 902 G CA 0.440 45.460 45.100 -0.133 0.000 0.986 902 G HN 0.638 nan 8.290 nan 0.000 0.548 903 N N 3.371 122.023 118.700 -0.080 0.000 2.461 903 N HA 0.367 5.105 4.740 -0.003 0.000 0.188 903 N C 1.117 176.673 175.510 0.077 0.000 1.134 903 N CA 1.864 54.912 53.050 -0.004 0.000 0.878 903 N CB 0.235 38.718 38.487 -0.006 0.000 0.972 903 N HN 1.984 nan 8.380 nan 0.000 0.456 904 G N 0.598 109.441 108.800 0.073 0.000 2.650 904 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.686 904 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.686 904 G C -1.386 173.619 174.900 0.174 0.000 1.205 904 G CA -0.885 44.334 45.100 0.197 0.000 0.781 904 G HN 0.191 nan 8.290 nan 0.000 0.648 905 Q N -0.794 119.154 119.800 0.248 0.000 2.456 905 Q HA 0.824 5.162 4.340 -0.003 0.000 0.283 905 Q C -0.622 175.659 176.000 0.469 0.000 1.084 905 Q CA -0.991 54.991 55.803 0.298 0.000 0.801 905 Q CB 2.684 31.614 28.738 0.320 0.000 1.434 905 Q HN 1.177 nan 8.270 nan 0.000 0.419 906 F N -1.806 118.360 119.950 0.361 0.000 2.626 906 F HA 0.700 5.225 4.527 -0.003 0.000 0.311 906 F C -1.255 174.429 175.800 -0.193 0.000 1.088 906 F CA -1.134 56.847 58.000 -0.033 0.000 0.949 906 F CB 1.714 40.479 39.000 -0.391 0.000 1.322 906 F HN 0.277 nan 8.300 nan 0.000 0.461 907 K N 3.200 123.287 120.400 -0.522 0.000 2.413 907 K HA 0.597 4.915 4.320 -0.003 0.000 0.257 907 K C -1.850 174.502 176.600 -0.412 0.000 0.946 907 K CA -0.563 55.163 56.287 -0.935 0.000 0.823 907 K CB 1.377 32.782 32.500 -1.825 0.000 1.109 907 K HN 0.887 nan 8.250 nan 0.000 0.427 908 L N 4.081 125.191 121.223 -0.188 0.000 2.275 908 L HA 0.368 4.706 4.340 -0.003 0.000 0.288 908 L C 0.394 177.228 176.870 -0.061 0.000 1.046 908 L CA -0.756 54.043 54.840 -0.067 0.000 0.805 908 L CB 1.202 43.309 42.059 0.080 0.000 1.193 908 L HN 0.628 nan 8.230 nan 0.000 0.426 909 N N 1.332 119.990 118.700 -0.070 0.000 2.502 909 N HA 0.168 4.906 4.740 -0.003 0.000 0.280 909 N C -0.421 175.075 175.510 -0.023 0.000 1.223 909 N CA -0.637 52.397 53.050 -0.026 0.000 0.966 909 N CB 1.201 39.648 38.487 -0.066 0.000 1.203 909 N HN 0.448 nan 8.380 nan 0.000 0.565 910 N N 0.604 119.289 118.700 -0.026 0.000 3.245 910 N HA 0.069 4.807 4.740 -0.003 0.000 0.296 910 N C -1.400 174.087 175.510 -0.040 0.000 1.254 910 N CA -0.142 52.879 53.050 -0.049 0.000 1.190 910 N CB -0.517 37.921 38.487 -0.082 0.000 1.460 910 N HN 0.436 nan 8.380 nan 0.000 0.538 911 S N -0.949 114.731 115.700 -0.034 0.000 2.579 911 S HA 0.243 4.711 4.470 -0.003 0.000 0.272 911 S C 0.861 175.446 174.600 -0.025 0.000 1.141 911 S CA -0.876 57.306 58.200 -0.030 0.000 0.843 911 S CB 1.835 65.015 63.200 -0.032 0.000 1.122 911 S HN 0.308 nan 8.310 nan 0.000 0.468 912 E N 1.866 122.053 120.200 -0.022 0.000 2.097 912 E HA -0.280 4.069 4.350 -0.003 0.000 0.196 912 E C 0.908 177.498 176.600 -0.017 0.000 1.000 912 E CA 1.853 58.242 56.400 -0.017 0.000 0.804 912 E CB -0.447 29.244 29.700 -0.016 0.000 0.740 912 E HN 0.801 nan 8.360 nan 0.000 0.454 913 N N -0.045 118.642 118.700 -0.020 0.000 2.461 913 N HA -0.031 4.707 4.740 -0.003 0.000 0.188 913 N C -0.107 175.385 175.510 -0.030 0.000 1.134 913 N CA -0.071 52.967 53.050 -0.020 0.000 0.878 913 N CB 0.301 38.776 38.487 -0.019 0.000 0.972 913 N HN -0.099 nan 8.380 nan 0.000 0.456 914 S N 1.102 116.780 115.700 -0.038 0.000 3.170 914 S HA 0.218 4.686 4.470 -0.003 0.000 0.257 914 S C -0.893 173.684 174.600 -0.038 0.000 1.284 914 S CA -0.795 57.371 58.200 -0.057 0.000 0.973 914 S CB -0.816 62.345 63.200 -0.066 0.000 1.330 914 S HN 0.457 nan 8.310 nan 0.000 0.493 915 N N 2.271 120.946 118.700 -0.042 0.000 2.598 915 N HA 0.515 5.253 4.740 -0.003 0.000 0.263 915 N C -1.554 173.938 175.510 -0.030 0.000 1.254 915 N CA -0.876 52.167 53.050 -0.011 0.000 0.863 915 N CB 0.874 39.364 38.487 0.006 0.000 1.586 915 N HN 0.248 nan 8.380 nan 0.000 0.491 916 I N 0.600 121.169 120.570 -0.003 0.000 2.545 916 I HA 0.437 4.605 4.170 -0.003 0.000 0.292 916 I C -0.696 175.495 176.117 0.124 0.000 1.040 916 I CA -0.735 60.556 61.300 -0.014 0.000 1.068 916 I CB 2.427 40.273 38.000 -0.257 0.000 1.251 916 I HN 0.552 nan 8.210 nan 0.000 0.424 917 T N 4.681 119.290 114.554 0.092 0.000 2.792 917 T HA 0.643 4.991 4.350 -0.003 0.000 0.280 917 T C -0.289 174.495 174.700 0.139 0.000 0.990 917 T CA -0.549 61.622 62.100 0.118 0.000 0.960 917 T CB 1.564 70.474 68.868 0.069 0.000 0.939 917 T HN 0.647 nan 8.240 nan 0.000 0.439 918 A N 2.814 125.751 122.820 0.194 0.000 2.271 918 A HA 0.564 4.882 4.320 -0.003 0.000 0.317 918 A C -0.674 177.016 177.584 0.178 0.000 1.245 918 A CA -0.606 51.551 52.037 0.200 0.000 0.857 918 A CB 0.069 19.238 19.000 0.281 0.000 1.175 918 A HN 0.970 nan 8.150 nan 0.000 0.512 919 H N 2.344 121.466 119.070 0.086 0.000 2.640 919 H HA 0.415 4.970 4.556 -0.003 0.000 0.297 919 H C 0.029 175.409 175.328 0.086 0.000 1.073 919 H CA 0.031 56.118 56.048 0.065 0.000 1.305 919 H CB 0.436 30.223 29.762 0.042 0.000 1.404 919 H HN 0.725 nan 8.280 nan 0.000 0.459 920 Q N 2.790 122.434 119.800 -0.260 0.000 2.299 920 Q HA 0.228 4.566 4.340 -0.003 0.000 0.246 920 Q C 0.214 176.098 176.000 -0.193 0.000 0.935 920 Q CA -0.714 55.023 55.803 -0.109 0.000 0.887 920 Q CB 1.329 30.039 28.738 -0.047 0.000 1.223 920 Q HN 0.824 nan 8.270 nan 0.000 0.439 921 S N 1.130 116.840 115.700 0.018 0.000 2.596 921 S HA 0.069 4.537 4.470 -0.003 0.000 0.260 921 S C 0.740 175.275 174.600 -0.109 0.000 1.336 921 S CA -0.462 57.760 58.200 0.036 0.000 0.993 921 S CB 0.759 64.095 63.200 0.227 0.000 0.923 921 S HN 0.627 nan 8.310 nan 0.000 0.567 922 K N -0.201 120.026 120.400 -0.288 0.000 2.286 922 K HA -0.084 4.235 4.320 -0.003 0.000 0.203 922 K C 0.911 177.225 176.600 -0.478 0.000 1.045 922 K CA 1.602 57.606 56.287 -0.472 0.000 0.935 922 K CB -0.485 31.578 32.500 -0.729 0.000 0.737 922 K HN 0.677 nan 8.250 nan 0.000 0.460 923 F N -1.119 118.861 119.950 0.050 0.000 2.765 923 F HA 0.017 4.542 4.527 -0.003 0.000 0.302 923 F C 1.623 177.431 175.800 0.014 0.000 1.111 923 F CA 0.122 58.156 58.000 0.057 0.000 1.359 923 F CB 0.321 39.395 39.000 0.123 0.000 1.097 923 F HN -0.240 nan 8.300 nan 0.000 0.577 924 V N -1.871 118.097 119.914 0.090 0.000 3.250 924 V HA 0.145 4.263 4.120 -0.003 0.000 0.240 924 V C 0.846 176.963 176.094 0.039 0.000 1.275 924 V CA -0.014 62.306 62.300 0.034 0.000 1.206 924 V CB 0.738 32.578 31.823 0.030 0.000 0.976 924 V HN -0.101 nan 8.190 nan 0.000 0.467 925 V N 0.873 120.786 119.914 -0.001 0.000 2.788 925 V HA -0.009 4.110 4.120 -0.003 0.000 0.307 925 V C -0.374 175.732 176.094 0.020 0.000 1.069 925 V CA 0.261 62.561 62.300 0.001 0.000 1.173 925 V CB 0.618 32.397 31.823 -0.073 0.000 0.925 925 V HN 0.493 nan 8.190 nan 0.000 0.492 926 Y N 5.861 126.121 120.300 -0.065 0.000 2.367 926 Y HA 0.535 5.083 4.550 -0.003 0.000 0.342 926 Y C -0.156 175.687 175.900 -0.095 0.000 0.979 926 Y CA -0.522 57.509 58.100 -0.114 0.000 1.161 926 Y CB 1.160 39.468 38.460 -0.252 0.000 1.155 926 Y HN 0.791 nan 8.280 nan 0.000 0.503 927 D N 4.290 124.364 120.400 -0.545 0.000 2.328 927 D HA 0.300 4.938 4.640 -0.003 0.000 0.243 927 D C -1.684 174.345 176.300 -0.452 0.000 1.324 927 D CA -0.022 53.765 54.000 -0.354 0.000 0.966 927 D CB 0.915 41.609 40.800 -0.177 0.000 1.324 927 D HN 0.409 nan 8.370 nan 0.000 0.549 928 S N 2.940 118.338 115.700 -0.503 0.000 2.543 928 S HA 0.302 4.771 4.470 -0.003 0.000 0.274 928 S C 0.201 174.702 174.600 -0.164 0.000 1.149 928 S CA -0.562 57.417 58.200 -0.368 0.000 0.866 928 S CB 1.394 64.243 63.200 -0.585 0.000 1.111 928 S HN 0.427 nan 8.310 nan 0.000 0.457 929 M N 2.233 121.719 119.600 -0.190 0.000 2.435 929 M HA 0.319 4.797 4.480 -0.003 0.000 0.265 929 M C -0.196 175.791 176.300 -0.522 0.000 1.104 929 M CA 1.453 56.500 55.300 -0.422 0.000 1.140 929 M CB 0.056 32.199 32.600 -0.762 0.000 1.372 929 M HN 0.741 nan 8.290 nan 0.000 0.456 930 F N -1.149 118.866 119.950 0.109 0.000 2.789 930 F HA 0.252 4.777 4.527 -0.002 0.000 0.320 930 F C -0.006 175.901 175.800 0.178 0.000 1.079 930 F CA -0.884 57.195 58.000 0.131 0.000 1.205 930 F CB 0.125 39.174 39.000 0.082 0.000 1.046 930 F HN -0.161 nan 8.300 nan 0.000 0.586 931 D N 1.861 122.462 120.400 0.335 0.000 2.390 931 D HA 0.065 4.703 4.640 -0.003 0.000 0.249 931 D C -0.062 176.550 176.300 0.521 0.000 1.144 931 D CA 0.275 54.481 54.000 0.344 0.000 0.880 931 D CB 0.458 41.391 40.800 0.220 0.000 1.182 931 D HN -0.024 nan 8.370 nan 0.000 0.451 932 N N 1.575 120.512 118.700 0.395 0.000 2.513 932 N HA 0.486 5.224 4.740 -0.003 0.000 0.274 932 N C -0.295 175.488 175.510 0.455 0.000 1.189 932 N CA -0.190 53.075 53.050 0.358 0.000 0.975 932 N CB 0.700 39.304 38.487 0.195 0.000 1.157 932 N HN 0.405 nan 8.380 nan 0.000 0.465 933 F N -2.401 117.601 119.950 0.086 0.000 2.693 933 F HA 0.691 5.216 4.527 -0.004 0.000 0.309 933 F C -1.067 174.709 175.800 -0.041 0.000 1.129 933 F CA -0.914 57.110 58.000 0.040 0.000 0.948 933 F CB 1.110 40.109 39.000 -0.000 0.000 1.315 933 F HN 0.181 nan 8.300 nan 0.000 0.447 934 S N 2.042 117.717 115.700 -0.043 0.000 2.548 934 S HA 0.816 5.284 4.470 -0.003 0.000 0.286 934 S C -0.930 173.607 174.600 -0.105 0.000 1.098 934 S CA -0.696 57.365 58.200 -0.231 0.000 0.930 934 S CB 1.954 65.063 63.200 -0.152 0.000 1.070 934 S HN 0.936 nan 8.310 nan 0.000 0.480 935 I N 0.295 120.662 120.570 -0.339 0.000 2.892 935 I HA 0.764 4.933 4.170 -0.003 0.000 0.306 935 I C -0.995 175.005 176.117 -0.196 0.000 1.078 935 I CA -0.554 60.576 61.300 -0.282 0.000 1.032 935 I CB 2.195 39.926 38.000 -0.449 0.000 1.229 935 I HN 0.631 nan 8.210 nan 0.000 0.435 936 N N 4.269 122.914 118.700 -0.091 0.000 2.308 936 N HA 0.605 5.343 4.740 -0.003 0.000 0.283 936 N C -1.783 173.859 175.510 0.220 0.000 1.105 936 N CA -0.337 52.713 53.050 -0.001 0.000 0.840 936 N CB 2.749 41.288 38.487 0.086 0.000 1.633 936 N HN 0.840 nan 8.380 nan 0.000 0.476 937 F N -0.931 119.086 119.950 0.110 0.000 2.807 937 F HA 0.683 5.208 4.527 -0.004 0.000 0.316 937 F C -2.266 173.753 175.800 0.366 0.000 1.162 937 F CA -1.214 56.990 58.000 0.339 0.000 0.910 937 F CB 0.671 39.967 39.000 0.494 0.000 1.314 937 F HN 0.230 nan 8.300 nan 0.000 0.454 938 W N 1.612 123.073 121.300 0.269 0.000 2.627 938 W HA 0.797 5.456 4.660 -0.003 0.000 0.339 938 W C -0.975 175.838 176.519 0.490 0.000 1.058 938 W CA -1.366 56.111 57.345 0.221 0.000 1.223 938 W CB 1.680 31.285 29.460 0.242 0.000 1.389 938 W HN 0.528 nan 8.180 nan 0.000 0.541 939 V N 2.866 123.043 119.914 0.438 0.000 2.962 939 V HA 0.710 4.828 4.120 -0.003 0.000 0.313 939 V C -1.178 174.893 176.094 -0.039 0.000 1.099 939 V CA -1.429 61.022 62.300 0.252 0.000 0.971 939 V CB 2.117 33.989 31.823 0.082 0.000 1.028 939 V HN 0.584 nan 8.190 nan 0.000 0.430 940 R N 2.509 122.864 120.500 -0.242 0.000 2.507 940 R HA 0.566 4.904 4.340 -0.003 0.000 0.298 940 R C -1.235 175.034 176.300 -0.050 0.000 1.087 940 R CA -0.171 55.724 56.100 -0.343 0.000 0.917 940 R CB 1.619 31.272 30.300 -1.077 0.000 1.173 940 R HN 0.805 nan 8.270 nan 0.000 0.472 941 T N 5.026 119.616 114.554 0.059 0.000 2.829 941 T HA 0.571 4.919 4.350 -0.003 0.000 0.280 941 T C -2.500 172.228 174.700 0.047 0.000 0.999 941 T CA -2.274 59.866 62.100 0.066 0.000 0.983 941 T CB 1.410 70.396 68.868 0.196 0.000 0.968 941 T HN 0.369 nan 8.240 nan 0.000 0.446 942 P HA 0.220 nan 4.420 nan 0.000 0.274 942 P C -0.517 176.757 177.300 -0.043 0.000 1.246 942 P CA -0.594 62.421 63.100 -0.141 0.000 0.795 942 P CB 0.597 32.057 31.700 -0.400 0.000 1.006 943 K N 1.276 121.578 120.400 -0.165 0.000 2.414 943 K HA 0.003 4.321 4.320 -0.003 0.000 0.272 943 K C 0.089 176.380 176.600 -0.516 0.000 0.993 943 K CA -0.179 55.820 56.287 -0.479 0.000 0.964 943 K CB -0.153 31.784 32.500 -0.939 0.000 0.925 943 K HN 0.388 nan 8.250 nan 0.000 0.487 944 Y N 1.210 121.229 120.300 -0.469 0.000 2.757 944 Y HA -0.028 4.521 4.550 -0.002 0.000 0.344 944 Y C 0.121 175.767 175.900 -0.423 0.000 1.263 944 Y CA -0.712 56.994 58.100 -0.657 0.000 1.493 944 Y CB 0.033 37.765 38.460 -1.214 0.000 1.342 944 Y HN 0.368 nan 8.280 nan 0.000 0.627 945 N N 3.048 121.679 118.700 -0.116 0.000 2.458 945 N HA 0.016 4.754 4.740 -0.003 0.000 0.270 945 N C 0.249 175.744 175.510 -0.025 0.000 1.102 945 N CA -0.264 52.721 53.050 -0.108 0.000 0.967 945 N CB 0.873 39.323 38.487 -0.062 0.000 1.078 945 N HN 0.697 nan 8.380 nan 0.000 0.471 946 N N 1.875 120.532 118.700 -0.072 0.000 2.137 946 N HA -0.192 4.546 4.740 -0.003 0.000 0.190 946 N C 1.053 176.553 175.510 -0.016 0.000 1.017 946 N CA 1.105 54.116 53.050 -0.065 0.000 0.859 946 N CB -0.192 38.090 38.487 -0.341 0.000 1.002 946 N HN 0.702 nan 8.380 nan 0.000 0.428 947 N N -0.849 117.840 118.700 -0.019 0.000 2.461 947 N HA -0.058 4.680 4.740 -0.003 0.000 0.188 947 N C -0.407 175.113 175.510 0.017 0.000 1.134 947 N CA 0.303 53.362 53.050 0.015 0.000 0.878 947 N CB 0.234 38.728 38.487 0.013 0.000 0.972 947 N HN -0.022 nan 8.380 nan 0.000 0.456 948 D N 0.243 120.651 120.400 0.014 0.000 2.908 948 D HA 0.216 4.854 4.640 -0.003 0.000 0.361 948 D C 0.951 177.284 176.300 0.055 0.000 1.416 948 D CA -0.428 53.592 54.000 0.033 0.000 0.796 948 D CB 0.180 41.000 40.800 0.033 0.000 1.185 948 D HN 0.021 nan 8.370 nan 0.000 0.451 949 I N 0.489 121.073 120.570 0.023 0.000 2.546 949 I HA -0.149 4.019 4.170 -0.003 0.000 0.255 949 I C 1.982 178.150 176.117 0.085 0.000 1.163 949 I CA 1.112 62.423 61.300 0.019 0.000 1.457 949 I CB -0.292 37.656 38.000 -0.088 0.000 1.092 949 I HN 0.354 nan 8.210 nan 0.000 0.434 950 Q N 0.144 119.976 119.800 0.054 0.000 2.046 950 Q HA -0.187 4.151 4.340 -0.003 0.000 0.200 950 Q C 2.224 178.259 176.000 0.058 0.000 0.975 950 Q CA 2.461 58.291 55.803 0.044 0.000 0.836 950 Q CB -0.191 28.562 28.738 0.025 0.000 0.896 950 Q HN 0.625 nan 8.270 nan 0.000 0.428 951 T N -1.683 112.913 114.554 0.070 0.000 2.777 951 T HA -0.228 4.120 4.350 -0.003 0.000 0.266 951 T C 1.757 176.524 174.700 0.111 0.000 1.040 951 T CA 1.172 63.314 62.100 0.070 0.000 1.141 951 T CB -0.756 68.144 68.868 0.054 0.000 0.868 951 T HN 0.357 nan 8.240 nan 0.000 0.444 952 Y N 2.120 122.435 120.300 0.025 0.000 2.114 952 Y HA -0.071 4.478 4.550 -0.003 0.000 0.282 952 Y C 2.124 178.038 175.900 0.023 0.000 1.165 952 Y CA 1.422 59.551 58.100 0.049 0.000 1.148 952 Y CB -0.460 38.039 38.460 0.065 0.000 0.972 952 Y HN 0.165 nan 8.280 nan 0.000 0.504 953 L N -0.288 120.998 121.223 0.105 0.000 2.156 953 L HA -0.169 4.170 4.340 -0.003 0.000 0.208 953 L C 2.150 178.968 176.870 -0.087 0.000 1.095 953 L CA 0.843 55.659 54.840 -0.040 0.000 0.770 953 L CB -0.385 41.687 42.059 0.022 0.000 0.914 953 L HN 0.287 nan 8.230 nan 0.000 0.439 954 Q N -1.037 118.741 119.800 -0.036 0.000 2.376 954 Q HA 0.038 4.377 4.340 -0.003 0.000 0.206 954 Q C 0.692 176.670 176.000 -0.036 0.000 0.921 954 Q CA 0.304 56.082 55.803 -0.042 0.000 0.911 954 Q CB -0.360 28.367 28.738 -0.019 0.000 1.032 954 Q HN 0.448 nan 8.270 nan 0.000 0.510 955 N N 2.079 120.773 118.700 -0.010 0.000 2.437 955 N HA 0.036 4.774 4.740 -0.003 0.000 0.243 955 N C -0.904 174.639 175.510 0.055 0.000 1.041 955 N CA 0.101 53.174 53.050 0.038 0.000 0.940 955 N CB 0.682 39.215 38.487 0.077 0.000 1.133 955 N HN 0.069 nan 8.380 nan 0.000 0.506 956 E N 4.193 124.396 120.200 0.005 0.000 2.229 956 E HA 0.068 4.416 4.350 -0.003 0.000 0.283 956 E C -1.313 175.319 176.600 0.052 0.000 1.030 956 E CA -0.516 55.852 56.400 -0.052 0.000 0.836 956 E CB 0.493 30.143 29.700 -0.083 0.000 1.068 956 E HN 0.549 nan 8.360 nan 0.000 0.401 957 Y N 0.538 120.820 120.300 -0.030 0.000 2.462 957 Y HA 0.474 5.022 4.550 -0.004 0.000 0.346 957 Y C -0.397 175.508 175.900 0.008 0.000 0.976 957 Y CA -1.285 56.807 58.100 -0.014 0.000 1.044 957 Y CB 1.008 39.459 38.460 -0.015 0.000 1.230 957 Y HN 0.119 nan 8.280 nan 0.000 0.455 958 T N 4.127 118.748 114.554 0.112 0.000 2.913 958 T HA 0.279 4.627 4.350 -0.003 0.000 0.297 958 T C 1.191 175.972 174.700 0.134 0.000 1.029 958 T CA -0.050 62.086 62.100 0.061 0.000 1.104 958 T CB 0.683 69.570 68.868 0.032 0.000 0.964 958 T HN 0.814 nan 8.240 nan 0.000 0.532 959 I N -0.923 119.708 120.570 0.101 0.000 4.124 959 I HA 0.485 4.653 4.170 -0.003 0.000 0.311 959 I C -0.106 176.041 176.117 0.050 0.000 1.259 959 I CA -0.014 61.366 61.300 0.133 0.000 1.315 959 I CB 0.462 38.568 38.000 0.177 0.000 1.223 959 I HN 0.351 nan 8.210 nan 0.000 0.441 960 I N 2.164 122.731 120.570 -0.005 0.000 2.569 960 I HA 0.486 4.654 4.170 -0.003 0.000 0.290 960 I C -0.832 175.219 176.117 -0.110 0.000 1.088 960 I CA -0.567 60.629 61.300 -0.173 0.000 1.047 960 I CB 2.185 40.067 38.000 -0.196 0.000 1.237 960 I HN 0.231 nan 8.210 nan 0.000 0.421 961 S N 3.701 119.193 115.700 -0.346 0.000 2.541 961 S HA 0.618 5.086 4.470 -0.003 0.000 0.271 961 S C -1.187 172.959 174.600 -0.757 0.000 1.133 961 S CA -0.759 57.172 58.200 -0.447 0.000 0.876 961 S CB 2.037 65.082 63.200 -0.259 0.000 1.105 961 S HN 0.781 nan 8.310 nan 0.000 0.470 962 C N 4.633 123.314 119.300 -1.031 0.000 2.978 962 C HA 0.703 5.161 4.460 -0.003 0.000 0.274 962 C C -1.449 173.167 174.990 -0.622 0.000 1.087 962 C CA -0.423 58.020 59.018 -0.958 0.000 1.453 962 C CB -1.693 25.090 27.740 -1.594 0.000 1.838 962 C HN 0.810 nan 8.230 nan 0.000 0.470 963 I N 4.578 124.925 120.570 -0.372 0.000 2.533 963 I HA 0.501 4.669 4.170 -0.003 0.000 0.290 963 I C -0.527 175.492 176.117 -0.164 0.000 1.056 963 I CA -0.305 60.852 61.300 -0.239 0.000 1.057 963 I CB 2.020 39.904 38.000 -0.193 0.000 1.240 963 I HN 0.596 nan 8.210 nan 0.000 0.423 964 K N 6.173 126.499 120.400 -0.123 0.000 2.507 964 K HA 0.369 4.688 4.320 -0.003 0.000 0.252 964 K C -0.319 176.240 176.600 -0.067 0.000 0.943 964 K CA -0.338 55.897 56.287 -0.088 0.000 0.808 964 K CB 0.934 33.387 32.500 -0.079 0.000 1.142 964 K HN 0.551 nan 8.250 nan 0.000 0.426 965 N N 4.388 123.054 118.700 -0.057 0.000 2.714 965 N HA -0.210 4.528 4.740 -0.003 0.000 0.252 965 N C -0.952 174.530 175.510 -0.046 0.000 1.014 965 N CA 1.652 54.675 53.050 -0.045 0.000 0.735 965 N CB -0.896 37.569 38.487 -0.038 0.000 0.924 965 N HN 1.004 nan 8.380 nan 0.000 0.540 966 D N -3.004 117.363 120.400 -0.055 0.000 2.946 966 D HA -0.175 4.463 4.640 -0.003 0.000 0.202 966 D C -0.028 176.238 176.300 -0.056 0.000 1.068 966 D CA 1.659 55.626 54.000 -0.054 0.000 1.011 966 D CB -1.115 39.660 40.800 -0.041 0.000 1.105 966 D HN 0.506 nan 8.370 nan 0.000 0.425 967 S N -0.870 114.796 115.700 -0.057 0.000 2.549 967 S HA 0.708 5.176 4.470 -0.003 0.000 0.297 967 S C 0.365 174.925 174.600 -0.067 0.000 1.115 967 S CA 0.661 58.834 58.200 -0.046 0.000 1.059 967 S CB 2.053 65.237 63.200 -0.026 0.000 1.046 967 S HN 0.702 nan 8.310 nan 0.000 0.506 968 G N 3.035 111.806 108.800 -0.048 0.000 2.288 968 G HA2 0.131 4.090 3.960 -0.003 0.000 0.227 968 G HA3 0.131 4.090 3.960 -0.003 0.000 0.227 968 G C -1.565 173.318 174.900 -0.029 0.000 1.339 968 G CA -0.196 44.861 45.100 -0.073 0.000 1.057 968 G HN 1.032 nan 8.290 nan 0.000 0.470 969 W N 0.750 121.952 121.300 -0.162 0.000 2.962 969 W HA 0.832 5.490 4.660 -0.004 0.000 0.341 969 W C -0.767 175.584 176.519 -0.280 0.000 1.155 969 W CA -0.927 56.207 57.345 -0.351 0.000 1.165 969 W CB 1.656 30.882 29.460 -0.390 0.000 1.435 969 W HN 0.990 nan 8.180 nan 0.000 0.546 970 K N 0.185 120.605 120.400 0.034 0.000 2.546 970 K HA 0.652 4.970 4.320 -0.003 0.000 0.264 970 K C -2.104 174.647 176.600 0.252 0.000 0.937 970 K CA -0.938 55.434 56.287 0.141 0.000 0.833 970 K CB 2.207 34.690 32.500 -0.027 0.000 1.378 970 K HN 0.269 nan 8.250 nan 0.000 0.432 971 V N 1.748 121.881 119.914 0.365 0.000 2.417 971 V HA 0.448 4.566 4.120 -0.003 0.000 0.291 971 V C -0.628 175.578 176.094 0.187 0.000 1.024 971 V CA -0.479 62.049 62.300 0.380 0.000 0.861 971 V CB 1.420 33.497 31.823 0.422 0.000 0.985 971 V HN 0.885 nan 8.190 nan 0.000 0.436 972 S N 4.885 120.667 115.700 0.137 0.000 2.600 972 S HA 0.764 5.232 4.470 -0.003 0.000 0.300 972 S C -0.625 173.924 174.600 -0.084 0.000 1.087 972 S CA -0.614 57.575 58.200 -0.018 0.000 0.965 972 S CB 2.031 65.204 63.200 -0.046 0.000 1.089 972 S HN 0.522 nan 8.310 nan 0.000 0.496 973 I N 1.599 121.937 120.570 -0.386 0.000 2.509 973 I HA 0.483 4.651 4.170 -0.003 0.000 0.293 973 I C -0.372 175.387 176.117 -0.596 0.000 1.020 973 I CA -0.492 60.531 61.300 -0.461 0.000 1.088 973 I CB 1.952 39.621 38.000 -0.551 0.000 1.267 973 I HN 0.386 nan 8.210 nan 0.000 0.430 974 K N 4.771 124.949 120.400 -0.370 0.000 2.675 974 K HA 0.465 4.783 4.320 -0.003 0.000 0.224 974 K C 0.289 176.645 176.600 -0.407 0.000 1.003 974 K CA 0.083 56.174 56.287 -0.326 0.000 1.034 974 K CB 1.057 33.403 32.500 -0.257 0.000 1.218 974 K HN 0.910 nan 8.250 nan 0.000 0.507 975 G N 3.612 112.063 108.800 -0.582 0.000 2.596 975 G HA2 -0.419 3.539 3.960 -0.003 0.000 0.304 975 G HA3 -0.419 3.539 3.960 -0.003 0.000 0.304 975 G C 0.241 174.686 174.900 -0.758 0.000 1.189 975 G CA 0.603 44.949 45.100 -1.256 0.000 0.986 975 G HN 0.761 nan 8.290 nan 0.000 0.548 976 N N 1.788 120.185 118.700 -0.504 0.000 2.322 976 N HA 0.144 4.882 4.740 -0.003 0.000 0.216 976 N C 0.568 175.585 175.510 -0.821 0.000 1.144 976 N CA 0.373 53.024 53.050 -0.664 0.000 0.830 976 N CB 0.065 38.276 38.487 -0.460 0.000 1.034 976 N HN 0.746 nan 8.380 nan 0.000 0.484 977 R N 0.191 120.436 120.500 -0.425 0.000 2.637 977 R HA 0.495 4.833 4.340 -0.003 0.000 0.291 977 R C -0.620 175.674 176.300 -0.009 0.000 0.963 977 R CA -0.805 55.167 56.100 -0.214 0.000 0.901 977 R CB 1.861 32.016 30.300 -0.242 0.000 1.160 977 R HN 0.015 nan 8.270 nan 0.000 0.457 978 I N 4.315 125.005 120.570 0.199 0.000 2.378 978 I HA 0.430 4.598 4.170 -0.003 0.000 0.291 978 I C -0.021 176.274 176.117 0.297 0.000 0.992 978 I CA -0.685 60.786 61.300 0.284 0.000 1.154 978 I CB 1.444 39.709 38.000 0.442 0.000 1.315 978 I HN 0.525 nan 8.210 nan 0.000 0.448 979 I N 5.426 126.146 120.570 0.251 0.000 2.509 979 I HA 0.363 4.531 4.170 -0.003 0.000 0.293 979 I C -0.717 175.618 176.117 0.364 0.000 1.020 979 I CA -0.569 60.896 61.300 0.275 0.000 1.088 979 I CB 2.601 40.685 38.000 0.140 0.000 1.267 979 I HN 0.584 nan 8.210 nan 0.000 0.430 980 W N 6.399 127.790 121.300 0.153 0.000 2.475 980 W HA 0.567 5.226 4.660 -0.002 0.000 0.317 980 W C -1.484 175.110 176.519 0.126 0.000 1.046 980 W CA -0.410 57.020 57.345 0.142 0.000 1.215 980 W CB 1.971 31.489 29.460 0.095 0.000 1.335 980 W HN 0.398 nan 8.180 nan 0.000 0.471 981 T N 6.797 121.138 114.554 -0.355 0.000 2.848 981 T HA 0.517 4.865 4.350 -0.003 0.000 0.285 981 T C -0.480 173.908 174.700 -0.520 0.000 0.995 981 T CA -0.546 61.362 62.100 -0.321 0.000 0.970 981 T CB 1.723 70.512 68.868 -0.131 0.000 0.976 981 T HN 0.297 nan 8.240 nan 0.000 0.441 982 L N 3.553 124.580 121.223 -0.327 0.000 2.329 982 L HA 0.709 5.048 4.340 -0.003 0.000 0.279 982 L C -1.067 175.756 176.870 -0.078 0.000 1.014 982 L CA -1.055 53.674 54.840 -0.185 0.000 0.814 982 L CB 1.522 43.542 42.059 -0.064 0.000 1.257 982 L HN 0.532 nan 8.230 nan 0.000 0.424 983 I N 1.543 122.087 120.570 -0.044 0.000 2.478 983 I HA 0.270 4.438 4.170 -0.003 0.000 0.287 983 I C -0.427 175.688 176.117 -0.004 0.000 1.042 983 I CA -0.551 60.732 61.300 -0.028 0.000 1.067 983 I CB 1.699 39.672 38.000 -0.045 0.000 1.233 983 I HN 0.519 nan 8.210 nan 0.000 0.431 984 D N 5.302 125.703 120.400 0.003 0.000 2.433 984 D HA 0.133 4.771 4.640 -0.003 0.000 0.255 984 D C 1.285 177.582 176.300 -0.006 0.000 1.226 984 D CA -0.577 53.428 54.000 0.008 0.000 1.015 984 D CB 0.882 41.686 40.800 0.006 0.000 1.091 984 D HN 0.338 nan 8.370 nan 0.000 0.527 985 V N -2.066 117.843 119.914 -0.009 0.000 3.078 985 V HA -0.075 4.043 4.120 -0.003 0.000 0.265 985 V C 0.719 176.804 176.094 -0.015 0.000 1.122 985 V CA 1.089 63.380 62.300 -0.015 0.000 1.141 985 V CB -0.934 30.878 31.823 -0.018 0.000 0.735 985 V HN 0.434 nan 8.190 nan 0.000 0.498 986 N N 0.933 119.626 118.700 -0.012 0.000 2.268 986 N HA 0.430 5.168 4.740 -0.003 0.000 0.204 986 N C 1.224 176.728 175.510 -0.011 0.000 1.124 986 N CA 0.816 53.859 53.050 -0.010 0.000 0.838 986 N CB 0.952 39.434 38.487 -0.008 0.000 0.994 986 N HN 0.784 nan 8.380 nan 0.000 0.489 987 A N 0.165 122.977 122.820 -0.013 0.000 3.021 987 A HA -0.265 4.054 4.320 -0.003 0.000 0.257 987 A C 0.562 178.139 177.584 -0.012 0.000 1.277 987 A CA 0.923 52.951 52.037 -0.015 0.000 1.012 987 A CB -2.157 16.834 19.000 -0.016 0.000 1.147 987 A HN 0.376 nan 8.150 nan 0.000 0.861 988 K N 1.088 121.483 120.400 -0.008 0.000 2.350 988 K HA 0.466 4.785 4.320 -0.003 0.000 0.279 988 K C 0.406 177.003 176.600 -0.006 0.000 1.027 988 K CA 0.639 56.923 56.287 -0.004 0.000 0.969 988 K CB 0.312 32.812 32.500 0.000 0.000 0.954 988 K HN 0.904 nan 8.250 nan 0.000 0.474 989 S N 3.344 119.040 115.700 -0.006 0.000 2.570 989 S HA 0.598 5.066 4.470 -0.003 0.000 0.286 989 S C -1.305 173.293 174.600 -0.002 0.000 1.099 989 S CA -1.108 57.085 58.200 -0.012 0.000 0.913 989 S CB 1.922 65.108 63.200 -0.023 0.000 1.085 989 S HN 0.443 nan 8.310 nan 0.000 0.480 990 K N 1.209 121.606 120.400 -0.005 0.000 2.468 990 K HA 0.678 4.996 4.320 -0.003 0.000 0.252 990 K C -1.125 175.483 176.600 0.014 0.000 0.932 990 K CA -0.561 55.736 56.287 0.017 0.000 0.794 990 K CB 2.169 34.689 32.500 0.034 0.000 1.241 990 K HN 0.704 nan 8.250 nan 0.000 0.428 991 S N 1.756 117.488 115.700 0.053 0.000 2.566 991 S HA 0.662 5.130 4.470 -0.003 0.000 0.298 991 S C -0.791 173.904 174.600 0.158 0.000 1.083 991 S CA -0.781 57.475 58.200 0.094 0.000 0.978 991 S CB 1.685 64.940 63.200 0.092 0.000 1.073 991 S HN 0.603 nan 8.310 nan 0.000 0.491 992 I N 2.930 123.633 120.570 0.222 0.000 2.686 992 I HA 0.720 4.888 4.170 -0.003 0.000 0.295 992 I C -1.930 174.350 176.117 0.272 0.000 1.114 992 I CA -1.177 60.235 61.300 0.188 0.000 1.038 992 I CB 1.298 39.382 38.000 0.140 0.000 1.238 992 I HN 0.751 nan 8.210 nan 0.000 0.420 993 F N 5.803 125.807 119.950 0.091 0.000 2.599 993 F HA 0.657 5.182 4.527 -0.003 0.000 0.311 993 F C -1.971 173.899 175.800 0.117 0.000 1.076 993 F CA -1.082 56.976 58.000 0.095 0.000 0.937 993 F CB 1.326 40.341 39.000 0.025 0.000 1.282 993 F HN 0.346 nan 8.300 nan 0.000 0.460 994 F N 2.407 122.425 119.950 0.113 0.000 2.436 994 F HA 0.562 5.088 4.527 -0.002 0.000 0.340 994 F C -0.673 175.220 175.800 0.155 0.000 1.113 994 F CA -0.581 57.427 58.000 0.014 0.000 1.022 994 F CB 1.421 40.406 39.000 -0.026 0.000 1.128 994 F HN 0.805 nan 8.300 nan 0.000 0.466 995 E N 5.672 125.446 120.200 -0.710 0.000 2.199 995 E HA 0.363 4.711 4.350 -0.003 0.000 0.269 995 E C -1.779 174.224 176.600 -0.996 0.000 0.899 995 E CA -0.820 55.202 56.400 -0.629 0.000 0.772 995 E CB 1.474 31.094 29.700 -0.133 0.000 1.155 995 E HN 0.615 nan 8.360 nan 0.000 0.408 996 Y N 0.792 120.711 120.300 -0.635 0.000 2.509 996 Y HA 0.551 5.100 4.550 -0.002 0.000 0.341 996 Y C -0.001 175.859 175.900 -0.066 0.000 1.038 996 Y CA -1.372 56.494 58.100 -0.391 0.000 1.089 996 Y CB 1.089 39.357 38.460 -0.320 0.000 1.241 996 Y HN 0.291 nan 8.280 nan 0.000 0.468 997 S N 1.925 117.761 115.700 0.228 0.000 2.576 997 S HA 0.278 4.747 4.470 -0.003 0.000 0.276 997 S C 0.432 175.214 174.600 0.303 0.000 1.339 997 S CA -0.513 57.801 58.200 0.190 0.000 1.039 997 S CB -0.218 63.087 63.200 0.176 0.000 0.902 997 S HN 0.816 nan 8.310 nan 0.000 0.516 998 I N 0.873 121.576 120.570 0.221 0.000 3.816 998 I HA 0.480 4.648 4.170 -0.003 0.000 0.334 998 I C 0.382 176.635 176.117 0.227 0.000 1.551 998 I CA -0.319 61.147 61.300 0.276 0.000 1.153 998 I CB -0.019 38.055 38.000 0.122 0.000 1.197 998 I HN 0.451 nan 8.210 nan 0.000 0.439 999 K N 0.505 121.030 120.400 0.209 0.000 2.483 999 K HA 0.232 4.551 4.320 -0.003 0.000 0.206 999 K C -0.551 176.167 176.600 0.198 0.000 1.086 999 K CA -0.402 55.994 56.287 0.181 0.000 1.052 999 K CB 0.649 33.215 32.500 0.110 0.000 0.904 999 K HN 0.240 nan 8.250 nan 0.000 0.557 1000 D N 1.380 121.921 120.400 0.235 0.000 2.382 1000 D HA 0.035 4.673 4.640 -0.003 0.000 0.245 1000 D C 0.860 177.313 176.300 0.256 0.000 1.120 1000 D CA 0.073 54.202 54.000 0.215 0.000 0.890 1000 D CB 0.910 41.836 40.800 0.210 0.000 1.201 1000 D HN -0.068 nan 8.370 nan 0.000 0.433 1001 N N 1.001 119.826 118.700 0.207 0.000 2.104 1001 N HA -0.090 4.648 4.740 -0.003 0.000 0.190 1001 N C 0.283 175.956 175.510 0.270 0.000 1.024 1001 N CA 1.038 54.223 53.050 0.225 0.000 0.853 1001 N CB 0.253 38.839 38.487 0.164 0.000 1.008 1001 N HN 0.453 nan 8.380 nan 0.000 0.424 1002 I N -0.095 120.612 120.570 0.228 0.000 2.512 1002 I HA 0.131 4.299 4.170 -0.003 0.000 0.287 1002 I C -0.269 175.928 176.117 0.133 0.000 1.069 1002 I CA -0.508 60.911 61.300 0.198 0.000 1.056 1002 I CB 1.695 39.827 38.000 0.220 0.000 1.229 1002 I HN -0.203 nan 8.210 nan 0.000 0.429 1003 S N 3.664 119.438 115.700 0.123 0.000 2.508 1003 S HA 0.292 4.760 4.470 -0.003 0.000 0.284 1003 S C 0.596 175.103 174.600 -0.155 0.000 1.192 1003 S CA -0.393 57.852 58.200 0.075 0.000 1.070 1003 S CB 0.990 64.329 63.200 0.231 0.000 1.004 1003 S HN 0.486 nan 8.310 nan 0.000 0.493 1004 D N 2.943 123.141 120.400 -0.337 0.000 2.371 1004 D HA 0.064 4.703 4.640 -0.003 0.000 0.221 1004 D C 0.268 176.109 176.300 -0.765 0.000 0.986 1004 D CA 1.204 54.802 54.000 -0.670 0.000 0.899 1004 D CB 0.059 40.267 40.800 -0.986 0.000 0.902 1004 D HN 0.689 nan 8.370 nan 0.000 0.530 1005 Y N -0.550 119.626 120.300 -0.206 0.000 2.652 1005 Y HA 0.322 4.871 4.550 -0.002 0.000 0.274 1005 Y C 0.917 176.705 175.900 -0.187 0.000 1.148 1005 Y CA -0.646 57.227 58.100 -0.378 0.000 1.219 1005 Y CB 0.307 38.160 38.460 -1.012 0.000 1.337 1005 Y HN -0.217 nan 8.280 nan 0.000 0.490 1006 I N 2.665 123.281 120.570 0.075 0.000 2.664 1006 I HA -0.116 4.052 4.170 -0.003 0.000 0.284 1006 I C 0.693 177.038 176.117 0.381 0.000 1.154 1006 I CA 0.661 62.126 61.300 0.276 0.000 1.402 1006 I CB -0.036 38.225 38.000 0.435 0.000 1.395 1006 I HN 0.400 nan 8.210 nan 0.000 0.545 1007 N N 3.907 122.788 118.700 0.301 0.000 2.753 1007 N HA -0.217 4.521 4.740 -0.003 0.000 0.251 1007 N C -0.670 174.997 175.510 0.262 0.000 1.097 1007 N CA 1.288 54.456 53.050 0.197 0.000 0.786 1007 N CB -0.576 37.966 38.487 0.092 0.000 1.137 1007 N HN 0.604 nan 8.380 nan 0.000 0.566 1008 K N -0.539 120.062 120.400 0.336 0.000 2.207 1008 K HA 0.270 4.588 4.320 -0.003 0.000 0.255 1008 K C -0.513 176.338 176.600 0.418 0.000 0.941 1008 K CA -0.696 55.824 56.287 0.387 0.000 0.825 1008 K CB 0.751 33.448 32.500 0.328 0.000 1.119 1008 K HN 0.095 nan 8.250 nan 0.000 0.430 1009 W N 3.885 125.437 121.300 0.421 0.000 2.347 1009 W HA 0.031 4.690 4.660 -0.003 0.000 0.333 1009 W C 0.187 177.117 176.519 0.684 0.000 1.383 1009 W CA 0.074 57.706 57.345 0.479 0.000 1.283 1009 W CB 0.033 29.745 29.460 0.421 0.000 1.253 1009 W HN 0.425 nan 8.180 nan 0.000 0.563 1010 F N 1.370 121.724 119.950 0.674 0.000 2.626 1010 F HA 0.671 5.196 4.527 -0.003 0.000 0.311 1010 F C -0.547 175.169 175.800 -0.140 0.000 1.088 1010 F CA -1.707 56.457 58.000 0.273 0.000 0.949 1010 F CB 1.101 40.231 39.000 0.217 0.000 1.322 1010 F HN 0.054 nan 8.300 nan 0.000 0.461 1011 S N 1.923 117.242 115.700 -0.635 0.000 2.508 1011 S HA 0.772 5.240 4.470 -0.003 0.000 0.284 1011 S C -0.901 173.350 174.600 -0.581 0.000 1.192 1011 S CA -0.432 57.056 58.200 -1.187 0.000 1.070 1011 S CB 0.296 62.617 63.200 -1.465 0.000 1.004 1011 S HN 0.585 nan 8.310 nan 0.000 0.493 1012 I N 3.606 123.781 120.570 -0.658 0.000 2.466 1012 I HA 0.351 4.519 4.170 -0.003 0.000 0.289 1012 I C -0.544 175.261 176.117 -0.520 0.000 1.026 1012 I CA -0.394 60.572 61.300 -0.556 0.000 1.078 1012 I CB 2.547 40.114 38.000 -0.722 0.000 1.249 1012 I HN 0.504 nan 8.210 nan 0.000 0.429 1013 T N 6.795 121.139 114.554 -0.349 0.000 2.840 1013 T HA 0.617 4.965 4.350 -0.003 0.000 0.287 1013 T C -0.372 174.173 174.700 -0.258 0.000 0.991 1013 T CA -0.321 61.599 62.100 -0.300 0.000 0.964 1013 T CB 1.127 69.804 68.868 -0.318 0.000 0.954 1013 T HN 0.245 nan 8.240 nan 0.000 0.438 1014 I N 3.655 123.982 120.570 -0.404 0.000 2.362 1014 I HA 0.420 4.588 4.170 -0.003 0.000 0.289 1014 I C 0.623 176.409 176.117 -0.551 0.000 0.994 1014 I CA -0.694 60.267 61.300 -0.566 0.000 1.158 1014 I CB 1.738 39.069 38.000 -1.114 0.000 1.315 1014 I HN 0.629 nan 8.210 nan 0.000 0.451 1015 T N 2.332 116.675 114.554 -0.352 0.000 2.888 1015 T HA 0.501 4.849 4.350 -0.003 0.000 0.284 1015 T C -0.497 174.015 174.700 -0.312 0.000 1.017 1015 T CA -0.908 61.006 62.100 -0.310 0.000 1.022 1015 T CB 1.541 70.328 68.868 -0.135 0.000 1.013 1015 T HN 0.464 nan 8.240 nan 0.000 0.465 1016 N N 2.641 121.130 118.700 -0.351 0.000 2.491 1016 N HA 0.230 4.968 4.740 -0.003 0.000 0.274 1016 N C -1.791 173.676 175.510 -0.072 0.000 1.023 1016 N CA -0.540 52.360 53.050 -0.249 0.000 0.902 1016 N CB 2.124 40.309 38.487 -0.503 0.000 1.267 1016 N HN 0.758 nan 8.380 nan 0.000 0.503 1017 D N 2.057 122.458 120.400 0.001 0.000 2.412 1017 D HA 0.189 4.827 4.640 -0.003 0.000 0.224 1017 D C 1.057 177.421 176.300 0.107 0.000 1.093 1017 D CA -0.360 53.679 54.000 0.064 0.000 0.850 1017 D CB 0.739 41.567 40.800 0.046 0.000 1.046 1017 D HN 0.184 nan 8.370 nan 0.000 0.507 1018 R N 3.012 123.614 120.500 0.171 0.000 2.193 1018 R HA -0.008 4.330 4.340 -0.003 0.000 0.229 1018 R C 1.181 177.587 176.300 0.177 0.000 1.110 1018 R CA 0.580 56.794 56.100 0.191 0.000 0.988 1018 R CB -0.205 30.245 30.300 0.251 0.000 0.871 1018 R HN 0.561 nan 8.270 nan 0.000 0.458 1019 L N -0.725 120.605 121.223 0.178 0.000 2.628 1019 L HA 0.213 4.551 4.340 -0.003 0.000 0.229 1019 L C 1.236 178.166 176.870 0.100 0.000 1.137 1019 L CA 0.046 54.981 54.840 0.159 0.000 0.909 1019 L CB 0.438 42.593 42.059 0.161 0.000 1.137 1019 L HN 0.213 nan 8.230 nan 0.000 0.470 1020 G N -1.148 107.702 108.800 0.082 0.000 3.551 1020 G HA2 0.177 4.135 3.960 -0.003 0.000 0.174 1020 G HA3 0.177 4.135 3.960 -0.003 0.000 0.174 1020 G C -0.748 174.176 174.900 0.041 0.000 1.280 1020 G CA -0.339 44.792 45.100 0.052 0.000 1.236 1020 G HN -0.010 nan 8.290 nan 0.000 0.731 1021 N N 0.833 119.547 118.700 0.023 0.000 2.430 1021 N HA 0.661 5.399 4.740 -0.003 0.000 0.298 1021 N C -0.248 175.262 175.510 0.002 0.000 1.130 1021 N CA -0.040 53.014 53.050 0.007 0.000 0.894 1021 N CB 1.959 40.433 38.487 -0.022 0.000 1.209 1021 N HN 0.628 nan 8.380 nan 0.000 0.503 1022 A N 1.381 124.208 122.820 0.011 0.000 2.316 1022 A HA 0.509 4.827 4.320 -0.003 0.000 0.284 1022 A C -0.283 177.261 177.584 -0.068 0.000 1.115 1022 A CA -0.507 51.527 52.037 -0.006 0.000 0.812 1022 A CB 0.245 19.322 19.000 0.129 0.000 1.064 1022 A HN 0.677 nan 8.150 nan 0.000 0.489 1023 N N 1.212 119.832 118.700 -0.134 0.000 2.295 1023 N HA 0.428 5.166 4.740 -0.003 0.000 0.293 1023 N C -1.511 173.859 175.510 -0.234 0.000 1.040 1023 N CA -0.262 52.665 53.050 -0.206 0.000 0.840 1023 N CB 1.984 40.339 38.487 -0.220 0.000 1.468 1023 N HN 0.539 nan 8.380 nan 0.000 0.478 1024 I N 2.461 122.863 120.570 -0.280 0.000 2.339 1024 I HA 0.315 4.483 4.170 -0.003 0.000 0.290 1024 I C -0.819 175.092 176.117 -0.343 0.000 0.994 1024 I CA -0.626 60.528 61.300 -0.243 0.000 1.191 1024 I CB 0.593 38.495 38.000 -0.163 0.000 1.343 1024 I HN 0.329 nan 8.210 nan 0.000 0.458 1025 Y N 6.280 126.393 120.300 -0.312 0.000 2.352 1025 Y HA 0.518 5.066 4.550 -0.003 0.000 0.339 1025 Y C 0.009 175.657 175.900 -0.420 0.000 0.992 1025 Y CA -1.017 56.882 58.100 -0.335 0.000 1.100 1025 Y CB 1.748 40.027 38.460 -0.302 0.000 1.192 1025 Y HN 0.268 nan 8.280 nan 0.000 0.458 1026 I N 3.760 124.120 120.570 -0.351 0.000 2.406 1026 I HA 0.178 4.346 4.170 -0.003 0.000 0.290 1026 I C -0.203 175.646 176.117 -0.448 0.000 0.999 1026 I CA -0.974 60.042 61.300 -0.473 0.000 1.124 1026 I CB 1.320 38.797 38.000 -0.871 0.000 1.289 1026 I HN 0.774 nan 8.210 nan 0.000 0.441 1027 N N 5.103 123.477 118.700 -0.544 0.000 2.716 1027 N HA -0.210 4.528 4.740 -0.003 0.000 0.250 1027 N C 1.107 175.820 175.510 -1.329 0.000 1.033 1027 N CA 1.307 53.752 53.050 -1.008 0.000 0.727 1027 N CB -0.942 37.203 38.487 -0.570 0.000 0.950 1027 N HN 1.131 nan 8.380 nan 0.000 0.541 1028 G N -2.067 106.221 108.800 -0.854 0.000 2.179 1028 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.260 1028 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.260 1028 G C 0.014 174.795 174.900 -0.198 0.000 0.977 1028 G CA 0.940 45.749 45.100 -0.485 0.000 0.641 1028 G HN 1.504 nan 8.290 nan 0.000 0.533 1029 S N -0.601 114.998 115.700 -0.168 0.000 2.526 1029 S HA 0.738 5.206 4.470 -0.003 0.000 0.293 1029 S C -0.302 174.245 174.600 -0.088 0.000 1.092 1029 S CA -0.751 57.425 58.200 -0.040 0.000 0.980 1029 S CB 2.498 65.636 63.200 -0.103 0.000 1.048 1029 S HN 1.401 nan 8.310 nan 0.000 0.483 1030 L N 2.858 123.979 121.223 -0.171 0.000 2.534 1030 L HA 0.390 4.728 4.340 -0.003 0.000 0.271 1030 L C 0.795 177.450 176.870 -0.358 0.000 1.178 1030 L CA 0.788 55.279 54.840 -0.581 0.000 0.907 1030 L CB 0.101 41.799 42.059 -0.602 0.000 1.164 1030 L HN 0.806 nan 8.230 nan 0.000 0.482 1031 K N 3.736 123.914 120.400 -0.370 0.000 2.387 1031 K HA 0.321 4.639 4.320 -0.003 0.000 0.197 1031 K C -0.055 176.435 176.600 -0.184 0.000 1.127 1031 K CA 0.471 56.627 56.287 -0.218 0.000 0.950 1031 K CB 0.477 32.852 32.500 -0.208 0.000 1.017 1031 K HN 0.520 nan 8.250 nan 0.000 0.519 1032 K N 0.229 120.481 120.400 -0.246 0.000 2.568 1032 K HA 0.391 4.709 4.320 -0.003 0.000 0.273 1032 K C -1.239 175.229 176.600 -0.220 0.000 0.951 1032 K CA -0.324 55.838 56.287 -0.209 0.000 0.854 1032 K CB 2.445 34.825 32.500 -0.200 0.000 1.424 1032 K HN -0.185 nan 8.250 nan 0.000 0.427 1033 S N 0.949 116.547 115.700 -0.170 0.000 2.549 1033 S HA 0.483 4.952 4.470 -0.003 0.000 0.280 1033 S C -1.613 172.935 174.600 -0.087 0.000 1.109 1033 S CA -0.699 57.421 58.200 -0.133 0.000 0.905 1033 S CB 2.295 65.420 63.200 -0.125 0.000 1.081 1033 S HN 0.599 nan 8.310 nan 0.000 0.477 1034 E N 1.539 121.710 120.200 -0.048 0.000 2.304 1034 E HA 0.304 4.653 4.350 -0.003 0.000 0.277 1034 E C -1.193 175.412 176.600 0.008 0.000 0.898 1034 E CA -0.671 55.720 56.400 -0.014 0.000 0.764 1034 E CB 1.139 30.846 29.700 0.011 0.000 1.216 1034 E HN 0.453 nan 8.360 nan 0.000 0.419 1035 K N 4.985 125.392 120.400 0.011 0.000 2.412 1035 K HA 0.146 4.464 4.320 -0.003 0.000 0.281 1035 K C 0.514 177.137 176.600 0.039 0.000 1.027 1035 K CA 0.223 56.524 56.287 0.023 0.000 0.989 1035 K CB 0.235 32.747 32.500 0.020 0.000 0.935 1035 K HN 0.711 nan 8.250 nan 0.000 0.475 1036 I N 2.304 122.904 120.570 0.051 0.000 4.240 1036 I HA 0.070 4.238 4.170 -0.003 0.000 0.331 1036 I C 1.034 177.189 176.117 0.063 0.000 1.381 1036 I CA -0.492 60.845 61.300 0.062 0.000 1.136 1036 I CB 0.127 38.178 38.000 0.086 0.000 1.137 1036 I HN 0.504 nan 8.210 nan 0.000 0.411 1037 L N -0.409 120.851 121.223 0.061 0.000 2.353 1037 L HA 0.105 4.443 4.340 -0.003 0.000 0.220 1037 L C 1.203 178.107 176.870 0.058 0.000 1.133 1037 L CA 1.644 56.527 54.840 0.071 0.000 0.798 1037 L CB -1.527 40.577 42.059 0.075 0.000 0.922 1037 L HN 0.193 nan 8.230 nan 0.000 0.445 1038 N N -0.193 118.534 118.700 0.044 0.000 2.383 1038 N HA 0.252 4.991 4.740 -0.003 0.000 0.192 1038 N C -0.165 175.358 175.510 0.021 0.000 1.141 1038 N CA -0.121 52.949 53.050 0.033 0.000 0.851 1038 N CB 0.022 38.526 38.487 0.029 0.000 0.976 1038 N HN 0.325 nan 8.380 nan 0.000 0.465 1039 L N 0.469 121.706 121.223 0.022 0.000 2.371 1039 L HA 0.202 4.540 4.340 -0.003 0.000 0.272 1039 L C 0.410 177.265 176.870 -0.025 0.000 1.124 1039 L CA -0.358 54.489 54.840 0.012 0.000 0.816 1039 L CB 0.764 42.844 42.059 0.035 0.000 1.129 1039 L HN 0.101 nan 8.230 nan 0.000 0.448 1040 D N 1.007 121.386 120.400 -0.035 0.000 2.390 1040 D HA 0.161 4.799 4.640 -0.003 0.000 0.279 1040 D C 0.210 176.458 176.300 -0.086 0.000 1.193 1040 D CA -0.540 53.409 54.000 -0.084 0.000 1.112 1040 D CB 0.243 41.011 40.800 -0.054 0.000 1.182 1040 D HN 0.305 nan 8.370 nan 0.000 0.569 1041 R N 0.751 121.202 120.500 -0.082 0.000 2.522 1041 R HA 0.150 4.489 4.340 -0.003 0.000 0.284 1041 R C -0.490 175.813 176.300 0.005 0.000 1.032 1041 R CA 0.185 56.249 56.100 -0.060 0.000 1.049 1041 R CB -0.161 30.102 30.300 -0.061 0.000 0.956 1041 R HN 0.286 nan 8.270 nan 0.000 0.422 1042 I N 4.582 125.197 120.570 0.074 0.000 2.330 1042 I HA 0.110 4.278 4.170 -0.003 0.000 0.286 1042 I C -0.199 175.983 176.117 0.108 0.000 1.025 1042 I CA -0.556 60.827 61.300 0.138 0.000 1.197 1042 I CB 1.281 39.447 38.000 0.276 0.000 1.358 1042 I HN 0.551 nan 8.210 nan 0.000 0.467 1043 N N 5.607 124.328 118.700 0.035 0.000 2.816 1043 N HA 0.192 4.931 4.740 -0.003 0.000 0.236 1043 N C -0.241 175.261 175.510 -0.014 0.000 1.076 1043 N CA -0.302 52.744 53.050 -0.008 0.000 0.902 1043 N CB 0.790 39.258 38.487 -0.032 0.000 1.149 1043 N HN 0.633 nan 8.380 nan 0.000 0.506 1044 S N 1.391 117.095 115.700 0.008 0.000 2.671 1044 S HA 0.460 4.928 4.470 -0.003 0.000 0.272 1044 S C 0.326 174.872 174.600 -0.091 0.000 1.174 1044 S CA -0.655 57.511 58.200 -0.057 0.000 1.004 1044 S CB 0.850 64.025 63.200 -0.042 0.000 1.077 1044 S HN 0.333 nan 8.310 nan 0.000 0.553 1045 S N -0.391 115.217 115.700 -0.152 0.000 2.585 1045 S HA 0.308 4.776 4.470 -0.003 0.000 0.277 1045 S C 0.836 175.358 174.600 -0.131 0.000 1.241 1045 S CA -0.703 57.416 58.200 -0.135 0.000 1.041 1045 S CB 0.129 63.232 63.200 -0.162 0.000 0.987 1045 S HN 0.692 nan 8.310 nan 0.000 0.512 1046 N N 1.939 120.561 118.700 -0.130 0.000 2.272 1046 N HA -0.033 4.705 4.740 -0.003 0.000 0.185 1046 N C -0.494 174.887 175.510 -0.216 0.000 1.014 1046 N CA 1.053 53.968 53.050 -0.224 0.000 0.870 1046 N CB -0.010 38.265 38.487 -0.354 0.000 0.975 1046 N HN 0.541 nan 8.380 nan 0.000 0.433 1047 D N 0.077 120.408 120.400 -0.115 0.000 2.225 1047 D HA 0.259 4.897 4.640 -0.003 0.000 0.248 1047 D C -0.098 176.123 176.300 -0.132 0.000 1.096 1047 D CA -0.185 53.781 54.000 -0.056 0.000 0.863 1047 D CB 1.264 42.066 40.800 0.004 0.000 1.156 1047 D HN 0.038 nan 8.370 nan 0.000 0.450 1048 I N 2.163 122.677 120.570 -0.094 0.000 2.321 1048 I HA 0.134 4.302 4.170 -0.003 0.000 0.291 1048 I C -0.212 175.780 176.117 -0.208 0.000 0.998 1048 I CA -0.688 60.470 61.300 -0.238 0.000 1.227 1048 I CB 1.141 39.059 38.000 -0.138 0.000 1.368 1048 I HN -0.008 nan 8.210 nan 0.000 0.466 1049 D N 7.116 127.326 120.400 -0.317 0.000 2.329 1049 D HA 0.306 4.944 4.640 -0.003 0.000 0.232 1049 D C -0.672 175.445 176.300 -0.304 0.000 1.088 1049 D CA -0.087 53.803 54.000 -0.183 0.000 0.835 1049 D CB 1.003 41.721 40.800 -0.138 0.000 1.078 1049 D HN 0.149 nan 8.370 nan 0.000 0.495 1050 F N 2.399 122.300 119.950 -0.081 0.000 2.390 1050 F HA 0.347 4.873 4.527 -0.002 0.000 0.361 1050 F C 0.947 176.741 175.800 -0.011 0.000 1.124 1050 F CA -0.365 57.618 58.000 -0.029 0.000 1.149 1050 F CB 0.841 39.832 39.000 -0.016 0.000 1.160 1050 F HN -0.016 nan 8.300 nan 0.000 0.501 1051 K N 3.401 123.877 120.400 0.127 0.000 2.609 1051 K HA 0.294 4.612 4.320 -0.003 0.000 0.261 1051 K C -1.957 174.691 176.600 0.079 0.000 0.945 1051 K CA -0.829 55.504 56.287 0.077 0.000 0.898 1051 K CB 1.039 33.557 32.500 0.029 0.000 1.349 1051 K HN 0.390 nan 8.250 nan 0.000 0.420 1052 L N 5.151 126.422 121.223 0.081 0.000 2.418 1052 L HA 0.336 4.675 4.340 -0.003 0.000 0.274 1052 L C -0.257 176.649 176.870 0.060 0.000 1.135 1052 L CA 0.672 55.570 54.840 0.097 0.000 0.870 1052 L CB 0.261 42.333 42.059 0.022 0.000 1.154 1052 L HN 0.417 nan 8.230 nan 0.000 0.462 1053 I N 4.325 124.952 120.570 0.094 0.000 2.465 1053 I HA 0.359 4.527 4.170 -0.003 0.000 0.291 1053 I C 0.057 176.225 176.117 0.086 0.000 1.014 1053 I CA -0.686 60.647 61.300 0.056 0.000 1.093 1053 I CB 1.381 39.398 38.000 0.029 0.000 1.267 1053 I HN 0.636 nan 8.210 nan 0.000 0.431 1054 N N 2.167 120.893 118.700 0.044 0.000 2.782 1054 N HA -0.186 4.552 4.740 -0.003 0.000 0.251 1054 N C -0.300 175.244 175.510 0.056 0.000 1.101 1054 N CA 0.437 53.516 53.050 0.047 0.000 0.764 1054 N CB -1.470 37.051 38.487 0.057 0.000 1.122 1054 N HN 0.611 nan 8.380 nan 0.000 0.561 1055 C N 2.177 121.465 119.300 -0.020 0.000 2.349 1055 C HA 0.364 4.822 4.460 -0.003 0.000 0.348 1055 C C 2.242 177.149 174.990 -0.139 0.000 1.223 1055 C CA 0.386 59.289 59.018 -0.192 0.000 1.746 1055 C CB -0.524 26.889 27.740 -0.545 0.000 2.360 1055 C HN 0.532 nan 8.230 nan 0.000 0.533 1056 T N 0.476 114.978 114.554 -0.086 0.000 3.023 1056 T HA -0.048 4.300 4.350 -0.003 0.000 0.266 1056 T C 0.456 175.118 174.700 -0.062 0.000 1.093 1056 T CA 0.686 62.755 62.100 -0.052 0.000 1.129 1056 T CB -0.264 68.592 68.868 -0.019 0.000 0.899 1056 T HN 0.762 nan 8.240 nan 0.000 0.491 1057 D N 1.790 122.133 120.400 -0.094 0.000 2.365 1057 D HA 0.171 4.809 4.640 -0.003 0.000 0.237 1057 D C 1.327 177.576 176.300 -0.085 0.000 1.190 1057 D CA 0.026 53.982 54.000 -0.074 0.000 0.867 1057 D CB 1.255 42.016 40.800 -0.066 0.000 1.050 1057 D HN 0.092 nan 8.370 nan 0.000 0.491 1058 T N 1.728 116.252 114.554 -0.051 0.000 2.778 1058 T HA -0.211 4.137 4.350 -0.003 0.000 0.269 1058 T C 1.648 176.333 174.700 -0.025 0.000 1.050 1058 T CA 2.399 64.475 62.100 -0.040 0.000 1.137 1058 T CB -0.161 68.693 68.868 -0.024 0.000 0.860 1058 T HN 0.551 nan 8.240 nan 0.000 0.468 1059 T N -2.004 112.544 114.554 -0.010 0.000 3.129 1059 T HA 0.254 4.602 4.350 -0.003 0.000 0.251 1059 T C 0.743 175.492 174.700 0.080 0.000 1.117 1059 T CA -0.200 61.922 62.100 0.036 0.000 1.034 1059 T CB -0.097 68.796 68.868 0.043 0.000 0.968 1059 T HN 0.188 nan 8.240 nan 0.000 0.526 1060 K N 1.768 122.155 120.400 -0.022 0.000 2.258 1060 K HA 0.481 4.799 4.320 -0.003 0.000 0.264 1060 K C -0.403 176.204 176.600 0.012 0.000 1.007 1060 K CA -0.747 55.478 56.287 -0.103 0.000 0.941 1060 K CB 0.105 32.444 32.500 -0.268 0.000 0.966 1060 K HN 0.471 nan 8.250 nan 0.000 0.480 1061 F N 0.160 120.066 119.950 -0.074 0.000 2.685 1061 F HA 0.722 5.248 4.527 -0.002 0.000 0.315 1061 F C -1.445 174.331 175.800 -0.040 0.000 1.126 1061 F CA -1.349 56.590 58.000 -0.100 0.000 0.950 1061 F CB 1.133 40.036 39.000 -0.161 0.000 1.360 1061 F HN 0.183 nan 8.300 nan 0.000 0.469 1062 V N 0.924 120.890 119.914 0.087 0.000 2.888 1062 V HA 0.539 4.657 4.120 -0.003 0.000 0.309 1062 V C -2.107 173.997 176.094 0.017 0.000 1.114 1062 V CA -0.894 61.450 62.300 0.074 0.000 0.940 1062 V CB 2.139 34.045 31.823 0.138 0.000 1.021 1062 V HN 0.824 nan 8.190 nan 0.000 0.426 1063 W N 5.529 126.835 121.300 0.011 0.000 2.469 1063 W HA 0.798 5.456 4.660 -0.003 0.000 0.320 1063 W C -0.225 176.279 176.519 -0.026 0.000 1.086 1063 W CA -0.311 56.987 57.345 -0.077 0.000 1.211 1063 W CB 1.583 30.849 29.460 -0.323 0.000 1.298 1063 W HN 0.384 nan 8.180 nan 0.000 0.525 1064 I N 3.673 124.344 120.570 0.168 0.000 2.647 1064 I HA 0.441 4.609 4.170 -0.003 0.000 0.295 1064 I C -0.417 175.743 176.117 0.071 0.000 1.078 1064 I CA -1.131 60.233 61.300 0.106 0.000 1.048 1064 I CB 1.974 39.801 38.000 -0.288 0.000 1.239 1064 I HN 0.384 nan 8.210 nan 0.000 0.421 1065 K N 2.919 123.515 120.400 0.327 0.000 2.533 1065 K HA 0.494 4.812 4.320 -0.003 0.000 0.272 1065 K C -1.266 175.492 176.600 0.263 0.000 0.985 1065 K CA -0.716 55.637 56.287 0.110 0.000 0.876 1065 K CB 1.788 34.117 32.500 -0.285 0.000 1.452 1065 K HN 0.419 nan 8.250 nan 0.000 0.439 1066 D N 0.253 120.770 120.400 0.195 0.000 2.723 1066 D HA -0.206 4.433 4.640 -0.003 0.000 0.236 1066 D C -1.102 175.452 176.300 0.424 0.000 1.138 1066 D CA 0.935 55.079 54.000 0.241 0.000 0.676 1066 D CB -1.244 39.635 40.800 0.133 0.000 1.069 1066 D HN 0.493 nan 8.370 nan 0.000 0.430 1067 F N 1.441 121.607 119.950 0.361 0.000 2.472 1067 F HA 0.284 4.809 4.527 -0.003 0.000 0.364 1067 F C 0.539 176.529 175.800 0.317 0.000 1.090 1067 F CA -0.029 58.232 58.000 0.435 0.000 1.188 1067 F CB 0.421 39.717 39.000 0.492 0.000 1.105 1067 F HN -0.141 nan 8.300 nan 0.000 0.536 1068 N N 6.956 125.471 118.700 -0.307 0.000 2.242 1068 N HA 0.499 5.237 4.740 -0.003 0.000 0.292 1068 N C -1.376 173.842 175.510 -0.486 0.000 1.125 1068 N CA -0.545 52.331 53.050 -0.291 0.000 0.783 1068 N CB 2.607 40.998 38.487 -0.161 0.000 1.558 1068 N HN 0.449 nan 8.380 nan 0.000 0.472 1069 I N 1.378 121.712 120.570 -0.392 0.000 2.569 1069 I HA 0.487 4.655 4.170 -0.003 0.000 0.296 1069 I C -1.059 174.797 176.117 -0.434 0.000 1.028 1069 I CA -0.662 60.501 61.300 -0.228 0.000 1.082 1069 I CB 1.350 39.362 38.000 0.020 0.000 1.264 1069 I HN 0.305 nan 8.210 nan 0.000 0.429 1070 F N 1.617 121.572 119.950 0.010 0.000 2.532 1070 F HA 0.433 4.958 4.527 -0.003 0.000 0.321 1070 F C 1.078 176.932 175.800 0.091 0.000 1.089 1070 F CA -0.682 57.334 58.000 0.026 0.000 0.926 1070 F CB 1.932 40.926 39.000 -0.010 0.000 1.168 1070 F HN 0.484 nan 8.300 nan 0.000 0.459 1071 G N 2.115 111.055 108.800 0.234 0.000 3.332 1071 G HA2 0.287 4.245 3.960 -0.003 0.000 0.242 1071 G HA3 0.287 4.245 3.960 -0.003 0.000 0.242 1071 G C 0.026 175.069 174.900 0.237 0.000 1.276 1071 G CA -0.186 45.050 45.100 0.227 0.000 0.988 1071 G HN 0.630 nan 8.290 nan 0.000 0.517 1072 R N -1.508 119.130 120.500 0.230 0.000 2.752 1072 R HA 0.466 4.804 4.340 -0.003 0.000 0.271 1072 R C -1.319 175.033 176.300 0.088 0.000 1.026 1072 R CA -0.994 55.200 56.100 0.157 0.000 0.901 1072 R CB 1.080 31.449 30.300 0.114 0.000 1.243 1072 R HN 0.009 nan 8.270 nan 0.000 0.463 1073 E N 2.328 122.552 120.200 0.040 0.000 2.070 1073 E HA 0.147 4.495 4.350 -0.003 0.000 0.282 1073 E C -0.439 176.109 176.600 -0.086 0.000 1.104 1073 E CA -0.436 55.942 56.400 -0.037 0.000 0.876 1073 E CB 0.605 30.296 29.700 -0.015 0.000 1.055 1073 E HN 0.365 nan 8.360 nan 0.000 0.401 1074 L N 4.362 125.478 121.223 -0.180 0.000 2.485 1074 L HA -0.001 4.337 4.340 -0.003 0.000 0.275 1074 L C 0.770 177.514 176.870 -0.210 0.000 1.207 1074 L CA -0.276 54.407 54.840 -0.261 0.000 0.855 1074 L CB -0.042 41.748 42.059 -0.449 0.000 1.114 1074 L HN 0.636 nan 8.230 nan 0.000 0.485 1075 N N 1.916 120.511 118.700 -0.176 0.000 2.413 1075 N HA 0.284 5.022 4.740 -0.003 0.000 0.266 1075 N C 0.599 175.998 175.510 -0.185 0.000 1.238 1075 N CA -0.082 52.896 53.050 -0.120 0.000 0.972 1075 N CB 0.778 39.224 38.487 -0.070 0.000 1.210 1075 N HN 0.575 nan 8.380 nan 0.000 0.547 1076 A N -0.251 122.523 122.820 -0.077 0.000 1.940 1076 A HA -0.157 4.161 4.320 -0.003 0.000 0.219 1076 A C 1.941 179.450 177.584 -0.125 0.000 1.176 1076 A CA 2.063 54.060 52.037 -0.067 0.000 0.631 1076 A CB -1.590 17.456 19.000 0.077 0.000 0.814 1076 A HN 0.808 nan 8.150 nan 0.000 0.446 1077 T N 0.053 114.551 114.554 -0.093 0.000 2.708 1077 T HA -0.143 4.205 4.350 -0.003 0.000 0.266 1077 T C 1.752 176.386 174.700 -0.110 0.000 1.037 1077 T CA 1.695 63.745 62.100 -0.083 0.000 1.146 1077 T CB -0.280 68.549 68.868 -0.064 0.000 0.865 1077 T HN 0.687 nan 8.240 nan 0.000 0.435 1078 E N 0.510 120.620 120.200 -0.150 0.000 2.077 1078 E HA -0.085 4.263 4.350 -0.003 0.000 0.193 1078 E C 2.386 178.846 176.600 -0.234 0.000 0.989 1078 E CA 0.897 57.188 56.400 -0.182 0.000 0.800 1078 E CB -0.284 29.279 29.700 -0.228 0.000 0.746 1078 E HN 0.234 nan 8.360 nan 0.000 0.452 1079 V N 1.131 120.838 119.914 -0.345 0.000 2.287 1079 V HA -0.277 3.841 4.120 -0.003 0.000 0.248 1079 V C 2.275 178.256 176.094 -0.188 0.000 1.053 1079 V CA 2.003 64.053 62.300 -0.417 0.000 1.027 1079 V CB -0.504 30.795 31.823 -0.873 0.000 0.646 1079 V HN 0.210 nan 8.190 nan 0.000 0.447 1080 S N 0.010 115.639 115.700 -0.119 0.000 2.368 1080 S HA -0.196 4.272 4.470 -0.003 0.000 0.225 1080 S C 2.222 176.903 174.600 0.135 0.000 1.030 1080 S CA 1.728 59.951 58.200 0.038 0.000 0.999 1080 S CB -0.330 62.883 63.200 0.022 0.000 0.844 1080 S HN 0.610 nan 8.310 nan 0.000 0.459 1081 S N 1.580 117.312 115.700 0.053 0.000 2.368 1081 S HA -0.030 4.439 4.470 -0.003 0.000 0.225 1081 S C 1.807 176.503 174.600 0.160 0.000 1.030 1081 S CA 0.862 59.119 58.200 0.095 0.000 0.999 1081 S CB -0.464 62.749 63.200 0.021 0.000 0.844 1081 S HN 0.308 nan 8.310 nan 0.000 0.459 1082 L N 0.733 122.009 121.223 0.089 0.000 2.079 1082 L HA -0.101 4.237 4.340 -0.003 0.000 0.210 1082 L C 2.033 179.039 176.870 0.227 0.000 1.081 1082 L CA 1.725 56.639 54.840 0.122 0.000 0.752 1082 L CB -0.832 41.241 42.059 0.023 0.000 0.896 1082 L HN 0.365 nan 8.230 nan 0.000 0.433 1083 Y N -1.154 119.210 120.300 0.108 0.000 2.181 1083 Y HA -0.297 4.252 4.550 -0.003 0.000 0.288 1083 Y C 2.368 178.420 175.900 0.253 0.000 1.146 1083 Y CA 1.981 60.183 58.100 0.170 0.000 1.164 1083 Y CB -0.700 37.795 38.460 0.058 0.000 0.982 1083 Y HN 0.429 nan 8.280 nan 0.000 0.515 1084 W N 0.906 122.202 121.300 -0.007 0.000 2.355 1084 W HA -0.266 4.392 4.660 -0.003 0.000 0.309 1084 W C 1.948 178.417 176.519 -0.085 0.000 1.206 1084 W CA 2.343 59.631 57.345 -0.094 0.000 1.284 1084 W CB -0.663 28.792 29.460 -0.008 0.000 1.145 1084 W HN 0.178 nan 8.180 nan 0.000 0.502 1085 I N 1.006 121.648 120.570 0.119 0.000 2.179 1085 I HA -0.363 3.805 4.170 -0.003 0.000 0.242 1085 I C 2.535 178.594 176.117 -0.096 0.000 1.088 1085 I CA 1.666 62.979 61.300 0.021 0.000 1.357 1085 I CB -0.706 37.363 38.000 0.115 0.000 1.051 1085 I HN 0.020 nan 8.210 nan 0.000 0.409 1086 Q N -0.189 119.600 119.800 -0.018 0.000 2.436 1086 Q HA -0.054 4.284 4.340 -0.003 0.000 0.209 1086 Q C 2.103 177.911 176.000 -0.320 0.000 0.965 1086 Q CA 0.784 56.537 55.803 -0.085 0.000 0.910 1086 Q CB 0.039 28.906 28.738 0.216 0.000 0.980 1086 Q HN 0.373 nan 8.270 nan 0.000 0.491 1087 S N 0.490 116.005 115.700 -0.308 0.000 2.522 1087 S HA -0.025 4.444 4.470 -0.003 0.000 0.227 1087 S C 0.389 174.737 174.600 -0.420 0.000 0.986 1087 S CA 0.077 58.042 58.200 -0.393 0.000 0.929 1087 S CB 0.109 62.997 63.200 -0.519 0.000 0.769 1087 S HN 0.277 nan 8.310 nan 0.000 0.529 1088 S N 1.459 116.910 115.700 -0.415 0.000 3.436 1088 S HA -0.153 4.315 4.470 -0.003 0.000 0.393 1088 S C 1.200 175.587 174.600 -0.355 0.000 0.914 1088 S CA 0.693 58.684 58.200 -0.348 0.000 1.317 1088 S CB -1.859 61.157 63.200 -0.307 0.000 0.920 1088 S HN 0.854 nan 8.310 nan 0.000 0.564 1089 T N -1.425 112.844 114.554 -0.476 0.000 2.962 1089 T HA -0.073 4.276 4.350 -0.003 0.000 0.270 1089 T C 1.348 175.877 174.700 -0.286 0.000 1.088 1089 T CA 1.047 62.853 62.100 -0.491 0.000 1.127 1089 T CB -0.131 68.218 68.868 -0.865 0.000 0.883 1089 T HN 0.515 nan 8.240 nan 0.000 0.493 1090 N N 2.183 120.750 118.700 -0.222 0.000 2.515 1090 N HA 0.022 4.760 4.740 -0.003 0.000 0.185 1090 N C 0.742 176.155 175.510 -0.160 0.000 1.109 1090 N CA 0.796 53.752 53.050 -0.157 0.000 0.903 1090 N CB -0.042 38.375 38.487 -0.117 0.000 0.969 1090 N HN 0.764 nan 8.380 nan 0.000 0.450 1091 T N -1.209 113.237 114.554 -0.180 0.000 2.875 1091 T HA 0.493 4.842 4.350 -0.003 0.000 0.284 1091 T C 0.373 174.974 174.700 -0.165 0.000 0.995 1091 T CA -0.755 61.243 62.100 -0.170 0.000 1.060 1091 T CB 1.381 70.141 68.868 -0.180 0.000 0.967 1091 T HN -0.085 nan 8.240 nan 0.000 0.476 1092 L N 2.664 123.788 121.223 -0.165 0.000 2.380 1092 L HA 0.461 4.799 4.340 -0.003 0.000 0.273 1092 L C 0.670 177.447 176.870 -0.155 0.000 1.138 1092 L CA -0.361 54.384 54.840 -0.159 0.000 0.832 1092 L CB 0.675 42.619 42.059 -0.192 0.000 1.124 1092 L HN 0.680 nan 8.230 nan 0.000 0.454 1093 K N 1.090 121.415 120.400 -0.125 0.000 2.395 1093 K HA 0.365 4.683 4.320 -0.003 0.000 0.247 1093 K C -1.088 175.436 176.600 -0.127 0.000 0.973 1093 K CA -0.971 55.220 56.287 -0.160 0.000 0.828 1093 K CB 1.855 34.208 32.500 -0.245 0.000 1.272 1093 K HN 0.574 nan 8.250 nan 0.000 0.439 1094 D N -0.169 120.145 120.400 -0.144 0.000 2.451 1094 D HA -0.003 4.636 4.640 -0.003 0.000 0.259 1094 D C 0.737 176.976 176.300 -0.101 0.000 1.201 1094 D CA -0.479 53.465 54.000 -0.094 0.000 1.028 1094 D CB 0.213 41.007 40.800 -0.011 0.000 1.095 1094 D HN 0.436 nan 8.370 nan 0.000 0.539 1095 F N -0.644 119.104 119.950 -0.337 0.000 2.250 1095 F HA -0.025 4.500 4.527 -0.003 0.000 0.301 1095 F C 1.314 176.842 175.800 -0.452 0.000 1.077 1095 F CA 1.043 58.740 58.000 -0.504 0.000 1.348 1095 F CB -0.069 38.400 39.000 -0.885 0.000 1.040 1095 F HN 0.372 nan 8.300 nan 0.000 0.509 1096 W N -0.360 120.982 121.300 0.071 0.000 3.047 1096 W HA 0.302 4.960 4.660 -0.003 0.000 0.250 1096 W C 1.824 178.272 176.519 -0.119 0.000 1.314 1096 W CA 0.499 57.839 57.345 -0.008 0.000 1.540 1096 W CB -0.214 29.279 29.460 0.055 0.000 1.127 1096 W HN 0.160 nan 8.180 nan 0.000 0.679 1097 G N 0.446 108.998 108.800 -0.412 0.000 2.157 1097 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.239 1097 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.239 1097 G C -0.093 174.647 174.900 -0.267 0.000 0.982 1097 G CA -0.244 44.296 45.100 -0.934 0.000 0.650 1097 G HN 0.349 nan 8.290 nan 0.000 0.527 1098 N N 1.266 119.946 118.700 -0.033 0.000 2.495 1098 N HA 0.537 5.275 4.740 -0.003 0.000 0.280 1098 N C -2.666 172.783 175.510 -0.101 0.000 1.168 1098 N CA -1.658 51.381 53.050 -0.019 0.000 0.978 1098 N CB 1.182 39.724 38.487 0.092 0.000 1.191 1098 N HN -0.002 nan 8.380 nan 0.000 0.497 1099 P HA -0.045 nan 4.420 nan 0.000 0.265 1099 P C -0.735 176.522 177.300 -0.072 0.000 1.193 1099 P CA -0.159 62.871 63.100 -0.116 0.000 0.765 1099 P CB 0.485 32.121 31.700 -0.106 0.000 0.823 1100 L N 5.021 126.170 121.223 -0.124 0.000 2.416 1100 L HA 0.237 4.575 4.340 -0.003 0.000 0.272 1100 L C 0.372 177.168 176.870 -0.124 0.000 1.161 1100 L CA 0.655 55.405 54.840 -0.150 0.000 0.845 1100 L CB -0.057 41.819 42.059 -0.305 0.000 1.119 1100 L HN 0.329 nan 8.230 nan 0.000 0.464 1101 R N 3.153 123.657 120.500 0.008 0.000 2.807 1101 R HA 0.403 4.741 4.340 -0.003 0.000 0.276 1101 R C -1.252 174.999 176.300 -0.081 0.000 0.979 1101 R CA -0.883 55.197 56.100 -0.034 0.000 0.928 1101 R CB 1.375 31.696 30.300 0.034 0.000 1.191 1101 R HN 0.424 nan 8.270 nan 0.000 0.471 1102 Y N 1.232 121.515 120.300 -0.029 0.000 2.357 1102 Y HA -0.062 4.486 4.550 -0.003 0.000 0.340 1102 Y C 0.749 176.613 175.900 -0.060 0.000 1.260 1102 Y CA 0.677 58.752 58.100 -0.042 0.000 1.425 1102 Y CB 0.520 38.952 38.460 -0.046 0.000 1.326 1102 Y HN 0.697 nan 8.280 nan 0.000 0.580 1103 D N -0.276 120.198 120.400 0.124 0.000 2.945 1103 D HA -0.173 4.465 4.640 -0.003 0.000 0.225 1103 D C -0.741 175.515 176.300 -0.074 0.000 1.158 1103 D CA 1.127 55.144 54.000 0.028 0.000 0.805 1103 D CB -1.711 39.110 40.800 0.034 0.000 1.098 1103 D HN 0.461 nan 8.370 nan 0.000 0.426 1104 T N 0.669 115.111 114.554 -0.188 0.000 2.848 1104 T HA 0.340 4.688 4.350 -0.003 0.000 0.285 1104 T C 0.174 174.527 174.700 -0.578 0.000 0.995 1104 T CA -0.671 61.194 62.100 -0.391 0.000 0.970 1104 T CB 2.239 70.787 68.868 -0.534 0.000 0.976 1104 T HN -0.061 nan 8.240 nan 0.000 0.441 1105 Q N 2.012 121.556 119.800 -0.426 0.000 2.313 1105 Q HA 0.326 4.664 4.340 -0.003 0.000 0.266 1105 Q C -1.258 174.483 176.000 -0.430 0.000 0.989 1105 Q CA 0.100 55.694 55.803 -0.348 0.000 0.890 1105 Q CB 0.516 29.097 28.738 -0.261 0.000 1.200 1105 Q HN 0.548 nan 8.270 nan 0.000 0.396 1106 Y N 1.239 121.510 120.300 -0.048 0.000 2.406 1106 Y HA 0.289 4.837 4.550 -0.003 0.000 0.340 1106 Y C -0.845 175.049 175.900 -0.011 0.000 0.975 1106 Y CA -1.174 56.960 58.100 0.056 0.000 1.056 1106 Y CB 0.941 39.582 38.460 0.302 0.000 1.210 1106 Y HN 0.491 nan 8.280 nan 0.000 0.448 1107 Y N 2.452 122.966 120.300 0.357 0.000 2.314 1107 Y HA 0.422 4.970 4.550 -0.003 0.000 0.334 1107 Y C -0.172 175.839 175.900 0.185 0.000 1.266 1107 Y CA -0.556 57.706 58.100 0.270 0.000 1.391 1107 Y CB 0.598 39.160 38.460 0.169 0.000 1.306 1107 Y HN 0.446 nan 8.280 nan 0.000 0.558 1108 L N 3.082 124.487 121.223 0.304 0.000 2.322 1108 L HA 0.501 4.840 4.340 -0.003 0.000 0.281 1108 L C -1.521 175.454 176.870 0.176 0.000 1.014 1108 L CA -0.786 54.077 54.840 0.039 0.000 0.815 1108 L CB 0.788 42.731 42.059 -0.194 0.000 1.247 1108 L HN 0.533 nan 8.230 nan 0.000 0.421 1109 F N 5.372 125.304 119.950 -0.029 0.000 2.495 1109 F HA 0.496 5.021 4.527 -0.003 0.000 0.327 1109 F C -0.447 175.393 175.800 0.066 0.000 1.103 1109 F CA -0.495 57.502 58.000 -0.006 0.000 0.949 1109 F CB 1.214 40.144 39.000 -0.118 0.000 1.142 1109 F HN 0.546 nan 8.300 nan 0.000 0.457 1110 N N 4.903 123.202 118.700 -0.670 0.000 2.424 1110 N HA 0.072 4.811 4.740 -0.003 0.000 0.271 1110 N C 0.370 175.213 175.510 -1.112 0.000 0.985 1110 N CA -0.121 52.403 53.050 -0.876 0.000 0.921 1110 N CB 1.856 39.838 38.487 -0.841 0.000 1.149 1110 N HN 0.922 nan 8.380 nan 0.000 0.492 1111 Q N 3.539 122.895 119.800 -0.740 0.000 2.230 1111 Q HA 0.064 4.402 4.340 -0.003 0.000 0.202 1111 Q C 1.461 177.270 176.000 -0.318 0.000 0.963 1111 Q CA 1.870 57.433 55.803 -0.400 0.000 0.866 1111 Q CB -0.303 28.388 28.738 -0.078 0.000 0.931 1111 Q HN 0.807 nan 8.270 nan 0.000 0.452 1112 G N -0.298 108.277 108.800 -0.376 0.000 2.430 1112 G HA2 -0.006 3.952 3.960 -0.003 0.000 0.216 1112 G HA3 -0.006 3.952 3.960 -0.003 0.000 0.216 1112 G C 0.654 175.400 174.900 -0.258 0.000 1.146 1112 G CA 0.137 45.078 45.100 -0.265 0.000 0.793 1112 G HN 0.351 nan 8.290 nan 0.000 0.537 1113 M N 1.154 120.544 119.600 -0.351 0.000 2.236 1113 M HA 0.232 4.710 4.480 -0.003 0.000 0.228 1113 M C 0.624 176.724 176.300 -0.333 0.000 0.906 1113 M CA -0.134 54.997 55.300 -0.282 0.000 0.761 1113 M CB 1.763 34.207 32.600 -0.260 0.000 1.439 1113 M HN 0.156 nan 8.290 nan 0.000 0.394 1114 Q N 0.435 120.066 119.800 -0.281 0.000 2.369 1114 Q HA -0.077 4.261 4.340 -0.003 0.000 0.206 1114 Q C 1.200 177.169 176.000 -0.051 0.000 0.963 1114 Q CA 0.888 56.531 55.803 -0.267 0.000 0.894 1114 Q CB 0.100 28.849 28.738 0.017 0.000 0.965 1114 Q HN 0.673 nan 8.270 nan 0.000 0.475 1115 N N 0.770 119.437 118.700 -0.055 0.000 2.270 1115 N HA 0.042 4.781 4.740 -0.003 0.000 0.198 1115 N C 0.153 175.655 175.510 -0.014 0.000 1.117 1115 N CA 0.029 53.081 53.050 0.003 0.000 0.845 1115 N CB 0.121 38.605 38.487 -0.006 0.000 0.980 1115 N HN 0.190 nan 8.380 nan 0.000 0.486 1116 I N -2.508 118.031 120.570 -0.052 0.000 3.002 1116 I HA 0.657 4.825 4.170 -0.003 0.000 0.310 1116 I C -0.706 175.436 176.117 0.042 0.000 1.087 1116 I CA -1.868 59.385 61.300 -0.079 0.000 1.017 1116 I CB 1.394 39.284 38.000 -0.182 0.000 1.226 1116 I HN 0.021 nan 8.210 nan 0.000 0.443 1117 Y N 1.408 121.700 120.300 -0.013 0.000 2.633 1117 Y HA 0.855 5.403 4.550 -0.003 0.000 0.339 1117 Y C -1.043 174.887 175.900 0.051 0.000 1.045 1117 Y CA -1.710 56.411 58.100 0.035 0.000 1.098 1117 Y CB 0.944 39.444 38.460 0.066 0.000 1.296 1117 Y HN 0.519 nan 8.280 nan 0.000 0.494 1118 I N 3.060 123.762 120.570 0.221 0.000 2.331 1118 I HA 0.335 4.504 4.170 -0.003 0.000 0.292 1118 I C -0.499 175.785 176.117 0.279 0.000 0.998 1118 I CA -0.744 60.636 61.300 0.133 0.000 1.267 1118 I CB 1.322 39.334 38.000 0.020 0.000 1.386 1118 I HN 0.717 nan 8.210 nan 0.000 0.476 1119 K N 5.533 126.056 120.400 0.206 0.000 2.281 1119 K HA 0.437 4.755 4.320 -0.003 0.000 0.242 1119 K C -1.122 175.668 176.600 0.316 0.000 0.971 1119 K CA -0.872 55.589 56.287 0.289 0.000 0.834 1119 K CB 1.655 34.313 32.500 0.264 0.000 1.181 1119 K HN 0.327 nan 8.250 nan 0.000 0.435 1120 Y N 1.713 122.119 120.300 0.177 0.000 2.319 1120 Y HA 0.338 4.887 4.550 -0.003 0.000 0.328 1120 Y C -1.329 174.734 175.900 0.272 0.000 1.133 1120 Y CA -1.078 57.130 58.100 0.180 0.000 1.265 1120 Y CB 0.716 39.221 38.460 0.075 0.000 1.218 1120 Y HN 0.591 nan 8.280 nan 0.000 0.508 1121 F N 6.122 125.822 119.950 -0.416 0.000 2.430 1121 F HA 0.287 4.813 4.527 -0.003 0.000 0.362 1121 F C 0.922 176.288 175.800 -0.723 0.000 1.103 1121 F CA -1.134 56.618 58.000 -0.413 0.000 1.045 1121 F CB 0.695 39.620 39.000 -0.126 0.000 1.276 1121 F HN 0.561 nan 8.300 nan 0.000 0.444 1122 S N 3.638 118.749 115.700 -0.982 0.000 2.399 1122 S HA -0.144 4.325 4.470 -0.003 0.000 0.231 1122 S C 1.748 175.984 174.600 -0.607 0.000 1.022 1122 S CA 0.748 58.462 58.200 -0.809 0.000 0.983 1122 S CB -0.274 62.758 63.200 -0.280 0.000 0.803 1122 S HN 0.584 nan 8.310 nan 0.000 0.480 1123 K N 1.823 121.661 120.400 -0.936 0.000 2.211 1123 K HA 0.172 4.490 4.320 -0.003 0.000 0.203 1123 K C 1.608 177.861 176.600 -0.579 0.000 1.050 1123 K CA 1.168 57.031 56.287 -0.707 0.000 0.945 1123 K CB -0.484 31.601 32.500 -0.692 0.000 0.732 1123 K HN 0.577 nan 8.250 nan 0.000 0.451 1124 A N 0.108 122.477 122.820 -0.751 0.000 2.571 1124 A HA 0.211 4.529 4.320 -0.003 0.000 0.274 1124 A C 0.085 177.627 177.584 -0.071 0.000 1.196 1124 A CA -0.178 51.693 52.037 -0.277 0.000 0.957 1124 A CB 0.303 19.237 19.000 -0.111 0.000 1.150 1124 A HN 0.071 nan 8.150 nan 0.000 0.539 1125 S N -0.805 114.845 115.700 -0.085 0.000 3.631 1125 S HA -0.183 4.285 4.470 -0.003 0.000 0.366 1125 S C -0.185 174.559 174.600 0.240 0.000 0.993 1125 S CA 1.432 59.740 58.200 0.181 0.000 1.167 1125 S CB -1.688 61.662 63.200 0.250 0.000 0.909 1125 S HN 0.919 nan 8.310 nan 0.000 0.478 1126 M N 0.550 120.253 119.600 0.171 0.000 2.572 1126 M HA 0.629 5.107 4.480 -0.003 0.000 0.299 1126 M C -0.052 176.474 176.300 0.376 0.000 1.205 1126 M CA -0.450 55.003 55.300 0.254 0.000 0.876 1126 M CB 1.920 34.686 32.600 0.277 0.000 1.728 1126 M HN 0.252 nan 8.290 nan 0.000 0.458 1127 G N 2.795 111.853 108.800 0.431 0.000 2.377 1127 G HA2 0.481 4.439 3.960 -0.003 0.000 0.316 1127 G HA3 0.481 4.439 3.960 -0.003 0.000 0.316 1127 G C -1.100 174.030 174.900 0.385 0.000 1.115 1127 G CA -0.336 45.022 45.100 0.431 0.000 0.952 1127 G HN 0.782 nan 8.290 nan 0.000 0.441 1128 E N 0.803 121.191 120.200 0.314 0.000 2.232 1128 E HA 0.510 4.859 4.350 -0.003 0.000 0.264 1128 E C 0.195 176.871 176.600 0.127 0.000 0.973 1128 E CA -0.662 55.905 56.400 0.277 0.000 0.849 1128 E CB 1.705 31.554 29.700 0.247 0.000 1.198 1128 E HN 0.538 nan 8.360 nan 0.000 0.407 1129 T N -1.671 112.924 114.554 0.068 0.000 2.934 1129 T HA 0.773 5.121 4.350 -0.003 0.000 0.283 1129 T C -0.348 174.221 174.700 -0.219 0.000 1.005 1129 T CA -0.778 61.257 62.100 -0.108 0.000 1.041 1129 T CB 1.544 70.334 68.868 -0.129 0.000 1.042 1129 T HN 0.497 nan 8.240 nan 0.000 0.505 1130 A N 2.315 124.822 122.820 -0.521 0.000 2.594 1130 A HA 0.802 5.120 4.320 -0.003 0.000 0.295 1130 A C -3.099 174.090 177.584 -0.659 0.000 1.071 1130 A CA -1.939 49.694 52.037 -0.672 0.000 0.685 1130 A CB 1.327 19.969 19.000 -0.596 0.000 1.285 1130 A HN 0.684 nan 8.150 nan 0.000 0.405 1131 P HA 0.233 nan 4.420 nan 0.000 0.276 1131 P C -0.618 176.746 177.300 0.107 0.000 1.230 1131 P CA -0.052 62.938 63.100 -0.184 0.000 0.776 1131 P CB 0.478 32.080 31.700 -0.164 0.000 0.888 1132 R N 1.258 121.871 120.500 0.189 0.000 2.570 1132 R HA 0.163 4.501 4.340 -0.003 0.000 0.277 1132 R C 1.008 177.405 176.300 0.161 0.000 1.039 1132 R CA 0.269 56.524 56.100 0.258 0.000 1.065 1132 R CB -0.132 30.282 30.300 0.189 0.000 0.964 1132 R HN 0.529 nan 8.270 nan 0.000 0.428 1133 T N 0.172 114.814 114.554 0.148 0.000 2.816 1133 T HA 0.277 4.625 4.350 -0.003 0.000 0.282 1133 T C 0.120 174.861 174.700 0.070 0.000 0.993 1133 T CA -0.907 61.251 62.100 0.096 0.000 0.994 1133 T CB 0.854 69.776 68.868 0.089 0.000 1.025 1133 T HN 0.784 nan 8.240 nan 0.000 0.529 1134 N N -0.942 117.772 118.700 0.023 0.000 2.571 1134 N HA 0.589 5.327 4.740 -0.003 0.000 0.273 1134 N C -1.837 173.606 175.510 -0.111 0.000 1.340 1134 N CA -1.232 51.790 53.050 -0.046 0.000 0.789 1134 N CB 1.467 39.934 38.487 -0.034 0.000 1.514 1134 N HN 0.703 nan 8.380 nan 0.000 0.499 1135 F N 0.726 120.366 119.950 -0.518 0.000 2.482 1135 F HA 0.556 5.081 4.527 -0.004 0.000 0.331 1135 F C -0.986 174.608 175.800 -0.342 0.000 1.115 1135 F CA -0.567 57.158 58.000 -0.460 0.000 0.955 1135 F CB 1.365 39.972 39.000 -0.655 0.000 1.136 1135 F HN 0.684 nan 8.300 nan 0.000 0.452 1136 N N 4.931 123.251 118.700 -0.633 0.000 2.478 1136 N HA 0.277 5.015 4.740 -0.003 0.000 0.291 1136 N C -2.035 173.236 175.510 -0.397 0.000 1.090 1136 N CA -0.340 52.526 53.050 -0.307 0.000 0.911 1136 N CB 1.479 39.850 38.487 -0.193 0.000 1.546 1136 N HN 0.889 nan 8.380 nan 0.000 0.500 1137 N N 1.942 120.532 118.700 -0.183 0.000 3.439 1137 N HA 0.447 5.185 4.740 -0.003 0.000 0.343 1137 N C 0.572 176.055 175.510 -0.045 0.000 1.597 1137 N CA -0.199 52.775 53.050 -0.127 0.000 0.733 1137 N CB -0.113 38.319 38.487 -0.092 0.000 1.973 1137 N HN 0.234 nan 8.380 nan 0.000 0.646 1138 A N -0.921 121.881 122.820 -0.029 0.000 2.015 1138 A HA 0.258 4.576 4.320 -0.003 0.000 0.219 1138 A C 1.897 179.473 177.584 -0.012 0.000 1.163 1138 A CA 1.992 54.018 52.037 -0.019 0.000 0.646 1138 A CB -1.308 17.682 19.000 -0.017 0.000 0.806 1138 A HN 0.802 nan 8.150 nan 0.000 0.448 1139 A N -0.624 122.189 122.820 -0.011 0.000 1.956 1139 A HA 0.477 4.795 4.320 -0.003 0.000 0.212 1139 A C 1.016 178.567 177.584 -0.054 0.000 1.188 1139 A CA 0.987 53.003 52.037 -0.034 0.000 0.675 1139 A CB -0.129 18.843 19.000 -0.047 0.000 0.845 1139 A HN 0.860 nan 8.150 nan 0.000 0.455 1140 I N -3.612 116.951 120.570 -0.011 0.000 2.994 1140 I HA 0.711 4.879 4.170 -0.003 0.000 0.306 1140 I C -1.635 174.573 176.117 0.153 0.000 1.195 1140 I CA -1.094 60.217 61.300 0.018 0.000 1.001 1140 I CB 2.115 40.007 38.000 -0.181 0.000 1.244 1140 I HN 0.107 nan 8.210 nan 0.000 0.437 1141 N N 2.628 121.469 118.700 0.235 0.000 2.324 1141 N HA 0.714 5.452 4.740 -0.003 0.000 0.285 1141 N C -1.913 173.836 175.510 0.399 0.000 1.076 1141 N CA -0.389 52.795 53.050 0.224 0.000 0.864 1141 N CB 2.102 40.667 38.487 0.129 0.000 1.632 1141 N HN 0.746 nan 8.380 nan 0.000 0.478 1142 Y N -0.566 119.914 120.300 0.300 0.000 2.592 1142 Y HA 0.456 5.004 4.550 -0.003 0.000 0.334 1142 Y C -1.384 174.690 175.900 0.290 0.000 1.136 1142 Y CA -1.045 57.254 58.100 0.331 0.000 1.042 1142 Y CB 0.930 39.648 38.460 0.430 0.000 1.325 1142 Y HN 0.391 nan 8.280 nan 0.000 0.457 1143 Q N 2.136 122.169 119.800 0.388 0.000 2.235 1143 Q HA 0.338 4.676 4.340 -0.003 0.000 0.250 1143 Q C -0.927 175.321 176.000 0.412 0.000 0.909 1143 Q CA -0.757 55.209 55.803 0.273 0.000 0.910 1143 Q CB 1.048 29.910 28.738 0.207 0.000 1.223 1143 Q HN 0.756 nan 8.270 nan 0.000 0.432 1144 N N 1.406 120.273 118.700 0.279 0.000 2.492 1144 N HA 0.009 4.747 4.740 -0.003 0.000 0.260 1144 N C 0.294 175.816 175.510 0.021 0.000 1.215 1144 N CA 0.154 53.349 53.050 0.240 0.000 0.923 1144 N CB 0.681 39.246 38.487 0.131 0.000 1.092 1144 N HN 0.453 nan 8.380 nan 0.000 0.448 1145 L N 1.096 122.210 121.223 -0.181 0.000 2.537 1145 L HA 0.151 4.489 4.340 -0.003 0.000 0.224 1145 L C -0.039 176.599 176.870 -0.387 0.000 1.065 1145 L CA 0.259 54.853 54.840 -0.409 0.000 0.860 1145 L CB 0.129 41.700 42.059 -0.812 0.000 1.086 1145 L HN 0.592 nan 8.230 nan 0.000 0.482 1146 Y N 2.289 122.335 120.300 -0.424 0.000 2.826 1146 Y HA 0.458 5.007 4.550 -0.003 0.000 0.371 1146 Y C -0.114 175.154 175.900 -1.053 0.000 1.252 1146 Y CA -0.783 56.693 58.100 -1.039 0.000 1.813 1146 Y CB -0.686 37.477 38.460 -0.495 0.000 1.913 1146 Y HN -0.026 nan 8.280 nan 0.000 0.447 1147 L N -0.017 120.768 121.223 -0.730 0.000 2.381 1147 L HA 0.860 5.198 4.340 -0.003 0.000 0.268 1147 L C 0.636 177.317 176.870 -0.315 0.000 0.997 1147 L CA -0.743 53.734 54.840 -0.604 0.000 0.818 1147 L CB 2.132 43.643 42.059 -0.913 0.000 1.310 1147 L HN 0.527 nan 8.230 nan 0.000 0.416 1148 G N 1.899 110.607 108.800 -0.153 0.000 2.545 1148 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.216 1148 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.216 1148 G C -0.719 174.364 174.900 0.305 0.000 1.314 1148 G CA -0.946 44.313 45.100 0.265 0.000 0.906 1148 G HN 0.487 nan 8.290 nan 0.000 0.563 1149 L N 0.474 121.844 121.223 0.246 0.000 2.490 1149 L HA 0.406 4.744 4.340 -0.003 0.000 0.274 1149 L C 1.286 178.114 176.870 -0.071 0.000 1.201 1149 L CA 0.021 54.849 54.840 -0.020 0.000 0.869 1149 L CB 0.571 42.496 42.059 -0.222 0.000 1.123 1149 L HN 0.605 nan 8.230 nan 0.000 0.484 1150 R N 2.837 123.179 120.500 -0.264 0.000 2.310 1150 R HA 0.450 4.789 4.340 -0.003 0.000 0.324 1150 R C -1.220 174.911 176.300 -0.282 0.000 0.955 1150 R CA -0.460 55.460 56.100 -0.300 0.000 0.830 1150 R CB 0.709 30.797 30.300 -0.353 0.000 1.154 1150 R HN 0.307 nan 8.270 nan 0.000 0.458 1151 F N 4.457 124.395 119.950 -0.019 0.000 2.432 1151 F HA 0.512 5.038 4.527 -0.003 0.000 0.329 1151 F C 0.402 176.236 175.800 0.057 0.000 1.076 1151 F CA -0.679 57.373 58.000 0.086 0.000 1.018 1151 F CB 1.420 40.554 39.000 0.223 0.000 1.201 1151 F HN 0.233 nan 8.300 nan 0.000 0.489 1152 I N 3.431 124.143 120.570 0.236 0.000 2.499 1152 I HA 0.340 4.508 4.170 -0.003 0.000 0.288 1152 I C -0.810 175.408 176.117 0.168 0.000 1.048 1152 I CA -0.594 60.783 61.300 0.128 0.000 1.062 1152 I CB 2.016 40.045 38.000 0.048 0.000 1.238 1152 I HN 0.370 nan 8.210 nan 0.000 0.426 1153 I N 6.577 127.214 120.570 0.112 0.000 2.371 1153 I HA 0.242 4.410 4.170 -0.003 0.000 0.290 1153 I C -0.077 176.171 176.117 0.217 0.000 1.028 1153 I CA -0.373 60.970 61.300 0.071 0.000 1.345 1153 I CB 0.420 38.319 38.000 -0.169 0.000 1.407 1153 I HN 0.356 nan 8.210 nan 0.000 0.501 1154 K N 6.014 126.567 120.400 0.255 0.000 2.318 1154 K HA 0.346 4.664 4.320 -0.003 0.000 0.249 1154 K C -0.575 176.126 176.600 0.169 0.000 0.942 1154 K CA -0.994 55.450 56.287 0.262 0.000 0.808 1154 K CB 2.199 34.863 32.500 0.273 0.000 1.189 1154 K HN 0.472 nan 8.250 nan 0.000 0.428 1155 K N 1.343 121.707 120.400 -0.059 0.000 2.379 1155 K HA 0.308 4.626 4.320 -0.003 0.000 0.284 1155 K C -0.247 176.147 176.600 -0.343 0.000 1.044 1155 K CA -0.206 55.941 56.287 -0.233 0.000 0.974 1155 K CB 0.742 32.943 32.500 -0.499 0.000 0.962 1155 K HN 0.637 nan 8.250 nan 0.000 0.474 1156 A N 3.544 126.054 122.820 -0.516 0.000 2.332 1156 A HA 0.242 4.560 4.320 -0.003 0.000 0.258 1156 A C -0.319 177.125 177.584 -0.235 0.000 1.087 1156 A CA -0.553 51.016 52.037 -0.781 0.000 0.802 1156 A CB 0.369 18.926 19.000 -0.739 0.000 1.042 1156 A HN 0.867 nan 8.150 nan 0.000 0.489 1157 S N 2.000 117.663 115.700 -0.062 0.000 2.558 1157 S HA 0.095 4.563 4.470 -0.003 0.000 0.293 1157 S C 0.693 175.275 174.600 -0.031 0.000 1.292 1157 S CA 0.362 58.567 58.200 0.008 0.000 1.063 1157 S CB -0.081 63.159 63.200 0.067 0.000 0.831 1157 S HN 0.764 nan 8.310 nan 0.000 0.499 1158 N N -0.324 118.362 118.700 -0.023 0.000 2.863 1158 N HA -0.175 4.563 4.740 -0.003 0.000 0.245 1158 N C 0.229 175.738 175.510 -0.001 0.000 1.001 1158 N CA 1.185 54.223 53.050 -0.020 0.000 0.901 1158 N CB -1.334 37.135 38.487 -0.029 0.000 1.124 1158 N HN 0.598 nan 8.380 nan 0.000 0.582 1159 S N -0.018 115.687 115.700 0.008 0.000 2.626 1159 S HA 0.189 4.657 4.470 -0.003 0.000 0.257 1159 S C 0.713 175.323 174.600 0.017 0.000 1.288 1159 S CA -0.487 57.754 58.200 0.069 0.000 0.980 1159 S CB 0.849 64.088 63.200 0.064 0.000 0.975 1159 S HN 0.319 nan 8.310 nan 0.000 0.577 1160 R N 1.635 122.149 120.500 0.024 0.000 2.537 1160 R HA -0.017 4.321 4.340 -0.003 0.000 0.281 1160 R C -0.419 175.850 176.300 -0.052 0.000 0.988 1160 R CA 0.022 56.118 56.100 -0.006 0.000 1.077 1160 R CB -0.100 30.202 30.300 0.003 0.000 0.932 1160 R HN 0.568 nan 8.270 nan 0.000 0.409 1161 N N 5.154 123.825 118.700 -0.049 0.000 2.497 1161 N HA 0.133 4.871 4.740 -0.003 0.000 0.268 1161 N C 0.057 175.517 175.510 -0.083 0.000 1.171 1161 N CA 0.202 53.209 53.050 -0.071 0.000 0.948 1161 N CB 0.803 39.261 38.487 -0.049 0.000 1.069 1161 N HN 0.532 nan 8.380 nan 0.000 0.460 1162 I N -1.498 118.996 120.570 -0.127 0.000 3.074 1162 I HA 0.528 4.696 4.170 -0.003 0.000 0.310 1162 I C -0.679 175.372 176.117 -0.111 0.000 1.153 1162 I CA -1.082 60.137 61.300 -0.134 0.000 0.993 1162 I CB 2.126 39.963 38.000 -0.271 0.000 1.237 1162 I HN 0.161 nan 8.210 nan 0.000 0.443 1163 N N 1.768 120.425 118.700 -0.072 0.000 2.485 1163 N HA 0.242 4.981 4.740 -0.003 0.000 0.280 1163 N C -0.590 174.890 175.510 -0.051 0.000 1.205 1163 N CA -0.794 52.225 53.050 -0.052 0.000 0.959 1163 N CB 0.529 39.002 38.487 -0.023 0.000 1.206 1163 N HN 0.654 nan 8.380 nan 0.000 0.545 1164 N N 1.106 119.786 118.700 -0.034 0.000 2.412 1164 N HA -0.117 4.621 4.740 -0.003 0.000 0.254 1164 N C -0.728 174.791 175.510 0.015 0.000 1.232 1164 N CA 0.743 53.783 53.050 -0.015 0.000 0.880 1164 N CB 0.228 38.708 38.487 -0.012 0.000 1.076 1164 N HN 0.509 nan 8.380 nan 0.000 0.458 1165 D N 0.534 120.962 120.400 0.047 0.000 3.059 1165 D HA -0.203 4.435 4.640 -0.003 0.000 0.220 1165 D C -0.347 176.004 176.300 0.084 0.000 1.169 1165 D CA 0.774 54.810 54.000 0.060 0.000 0.902 1165 D CB -1.681 39.132 40.800 0.022 0.000 1.116 1165 D HN 0.678 nan 8.370 nan 0.000 0.417 1166 N N -0.287 118.486 118.700 0.122 0.000 2.371 1166 N HA 0.192 4.930 4.740 -0.003 0.000 0.243 1166 N C 0.699 176.313 175.510 0.174 0.000 1.287 1166 N CA -0.325 52.805 53.050 0.132 0.000 0.911 1166 N CB 0.638 39.193 38.487 0.115 0.000 1.142 1166 N HN 0.101 nan 8.380 nan 0.000 0.451 1167 I N 1.614 122.233 120.570 0.081 0.000 2.588 1167 I HA 0.004 4.172 4.170 -0.003 0.000 0.283 1167 I C 0.088 176.186 176.117 -0.032 0.000 1.119 1167 I CA -0.424 60.870 61.300 -0.010 0.000 1.419 1167 I CB 0.781 38.758 38.000 -0.038 0.000 1.394 1167 I HN 0.149 nan 8.210 nan 0.000 0.562 1168 V N 7.400 127.161 119.914 -0.255 0.000 2.583 1168 V HA 0.298 4.417 4.120 -0.003 0.000 0.287 1168 V C 0.422 176.383 176.094 -0.222 0.000 1.051 1168 V CA -0.392 61.662 62.300 -0.410 0.000 1.010 1168 V CB 0.877 32.290 31.823 -0.683 0.000 0.988 1168 V HN 0.699 nan 8.190 nan 0.000 0.478 1169 R N 2.483 122.891 120.500 -0.154 0.000 2.787 1169 R HA 0.418 4.756 4.340 -0.003 0.000 0.271 1169 R C 0.755 176.948 176.300 -0.178 0.000 0.993 1169 R CA -0.800 55.215 56.100 -0.141 0.000 0.993 1169 R CB 1.712 31.958 30.300 -0.089 0.000 1.155 1169 R HN 0.694 nan 8.270 nan 0.000 0.486 1170 E N 0.695 120.786 120.200 -0.182 0.000 2.204 1170 E HA -0.128 4.220 4.350 -0.003 0.000 0.195 1170 E C 1.534 177.997 176.600 -0.229 0.000 0.990 1170 E CA 1.285 57.557 56.400 -0.213 0.000 0.821 1170 E CB 0.033 29.607 29.700 -0.209 0.000 0.750 1170 E HN 0.851 nan 8.360 nan 0.000 0.477 1171 G N 0.940 109.622 108.800 -0.197 0.000 2.813 1171 G HA2 -0.087 3.871 3.960 -0.003 0.000 0.209 1171 G HA3 -0.087 3.871 3.960 -0.003 0.000 0.209 1171 G C 0.186 174.890 174.900 -0.328 0.000 1.150 1171 G CA -0.133 44.832 45.100 -0.226 0.000 0.785 1171 G HN 0.070 nan 8.290 nan 0.000 0.535 1172 D N -0.188 120.056 120.400 -0.261 0.000 2.341 1172 D HA 0.307 4.945 4.640 -0.003 0.000 0.245 1172 D C -0.626 175.443 176.300 -0.385 0.000 1.106 1172 D CA 0.011 53.891 54.000 -0.200 0.000 0.905 1172 D CB 0.771 41.567 40.800 -0.006 0.000 1.202 1172 D HN 0.146 nan 8.370 nan 0.000 0.426 1173 Y N 0.585 120.857 120.300 -0.048 0.000 2.320 1173 Y HA 0.404 4.953 4.550 -0.003 0.000 0.334 1173 Y C 0.483 176.285 175.900 -0.163 0.000 1.055 1173 Y CA -0.919 57.125 58.100 -0.092 0.000 1.143 1173 Y CB 0.787 39.193 38.460 -0.089 0.000 1.193 1173 Y HN 0.189 nan 8.280 nan 0.000 0.477 1174 I N -0.566 119.964 120.570 -0.066 0.000 3.074 1174 I HA 0.659 4.827 4.170 -0.003 0.000 0.310 1174 I C -1.966 174.049 176.117 -0.169 0.000 1.153 1174 I CA -1.610 59.604 61.300 -0.143 0.000 0.993 1174 I CB 1.729 39.699 38.000 -0.049 0.000 1.237 1174 I HN 0.231 nan 8.210 nan 0.000 0.443 1175 Y N 3.169 123.501 120.300 0.054 0.000 2.487 1175 Y HA 0.716 5.264 4.550 -0.003 0.000 0.337 1175 Y C -0.487 175.449 175.900 0.061 0.000 1.076 1175 Y CA -1.467 56.644 58.100 0.019 0.000 1.115 1175 Y CB 1.616 40.074 38.460 -0.004 0.000 1.235 1175 Y HN 0.427 nan 8.280 nan 0.000 0.468 1176 L N 3.720 125.103 121.223 0.267 0.000 2.321 1176 L HA 0.364 4.703 4.340 -0.003 0.000 0.272 1176 L C -0.578 176.475 176.870 0.305 0.000 1.050 1176 L CA -0.495 54.535 54.840 0.317 0.000 0.893 1176 L CB 0.001 42.300 42.059 0.400 0.000 1.272 1176 L HN 0.619 nan 8.230 nan 0.000 0.435 1177 N N 2.956 121.801 118.700 0.242 0.000 2.482 1177 N HA 0.471 5.210 4.740 -0.003 0.000 0.260 1177 N C -0.598 174.978 175.510 0.110 0.000 1.236 1177 N CA 0.121 53.261 53.050 0.152 0.000 0.938 1177 N CB 1.214 39.768 38.487 0.111 0.000 1.128 1177 N HN 0.343 nan 8.380 nan 0.000 0.448 1178 I N 0.782 121.353 120.570 0.001 0.000 2.447 1178 I HA 0.147 4.315 4.170 -0.003 0.000 0.287 1178 I C -0.083 175.960 176.117 -0.124 0.000 1.023 1178 I CA -0.516 60.668 61.300 -0.193 0.000 1.083 1178 I CB 1.810 39.619 38.000 -0.317 0.000 1.245 1178 I HN 0.541 nan 8.210 nan 0.000 0.434 1179 D N 3.629 123.944 120.400 -0.142 0.000 2.369 1179 D HA -0.041 4.597 4.640 -0.003 0.000 0.211 1179 D C 0.500 176.726 176.300 -0.123 0.000 1.077 1179 D CA 0.140 54.081 54.000 -0.099 0.000 0.842 1179 D CB 0.050 40.808 40.800 -0.070 0.000 0.947 1179 D HN 0.521 nan 8.370 nan 0.000 0.509 1180 N N 0.472 119.069 118.700 -0.172 0.000 2.365 1180 N HA 0.128 4.866 4.740 -0.003 0.000 0.257 1180 N C 0.672 176.066 175.510 -0.194 0.000 1.287 1180 N CA -0.347 52.619 53.050 -0.140 0.000 0.882 1180 N CB -0.331 38.107 38.487 -0.080 0.000 1.250 1180 N HN 0.207 nan 8.380 nan 0.000 0.507 1181 I N -0.467 119.890 120.570 -0.355 0.000 2.927 1181 I HA 0.077 4.245 4.170 -0.003 0.000 0.268 1181 I C 0.898 176.723 176.117 -0.486 0.000 1.153 1181 I CA 0.456 61.418 61.300 -0.564 0.000 1.459 1181 I CB 0.227 37.496 38.000 -1.218 0.000 1.149 1181 I HN 0.309 nan 8.210 nan 0.000 0.443 1182 S N -1.134 114.316 115.700 -0.417 0.000 2.705 1182 S HA 0.224 4.692 4.470 -0.003 0.000 0.280 1182 S C -0.016 174.535 174.600 -0.082 0.000 1.174 1182 S CA -0.701 57.379 58.200 -0.200 0.000 0.823 1182 S CB 1.233 64.336 63.200 -0.161 0.000 1.162 1182 S HN 0.035 nan 8.310 nan 0.000 0.487 1183 D N 1.179 121.566 120.400 -0.022 0.000 2.144 1183 D HA -0.014 4.624 4.640 -0.003 0.000 0.199 1183 D C 0.830 177.141 176.300 0.020 0.000 0.984 1183 D CA 1.279 55.277 54.000 -0.002 0.000 0.834 1183 D CB -0.259 40.546 40.800 0.008 0.000 0.955 1183 D HN 0.809 nan 8.370 nan 0.000 0.465 1184 E N 0.870 121.105 120.200 0.057 0.000 2.349 1184 E HA 0.303 4.651 4.350 -0.003 0.000 0.265 1184 E C -0.449 176.232 176.600 0.134 0.000 1.064 1184 E CA -0.507 55.944 56.400 0.085 0.000 0.886 1184 E CB 0.928 30.684 29.700 0.093 0.000 1.036 1184 E HN -0.288 nan 8.360 nan 0.000 0.413 1185 S N 1.335 117.097 115.700 0.102 0.000 2.549 1185 S HA 0.087 4.555 4.470 -0.003 0.000 0.286 1185 S C -0.765 173.976 174.600 0.235 0.000 1.314 1185 S CA -0.227 58.044 58.200 0.117 0.000 1.062 1185 S CB -0.049 63.187 63.200 0.060 0.000 0.865 1185 S HN 0.344 nan 8.310 nan 0.000 0.498 1186 Y N 1.237 121.504 120.300 -0.055 0.000 2.596 1186 Y HA 0.717 5.265 4.550 -0.003 0.000 0.326 1186 Y C 0.638 176.547 175.900 0.015 0.000 1.167 1186 Y CA -1.272 56.810 58.100 -0.029 0.000 1.246 1186 Y CB 1.224 39.613 38.460 -0.117 0.000 1.347 1186 Y HN 0.605 nan 8.280 nan 0.000 0.515 1187 R N -0.306 120.310 120.500 0.192 0.000 2.710 1187 R HA 0.645 4.983 4.340 -0.003 0.000 0.270 1187 R C -2.311 174.048 176.300 0.099 0.000 1.021 1187 R CA -0.702 55.447 56.100 0.082 0.000 0.889 1187 R CB 1.471 31.707 30.300 -0.106 0.000 1.243 1187 R HN 0.454 nan 8.270 nan 0.000 0.464 1188 V N 3.496 123.455 119.914 0.074 0.000 2.488 1188 V HA 0.327 4.445 4.120 -0.003 0.000 0.277 1188 V C -0.854 175.167 176.094 -0.121 0.000 1.046 1188 V CA 0.072 62.465 62.300 0.155 0.000 0.986 1188 V CB 0.600 32.626 31.823 0.338 0.000 0.989 1188 V HN 0.538 nan 8.190 nan 0.000 0.475 1189 Y N 2.694 123.117 120.300 0.205 0.000 2.468 1189 Y HA 0.660 5.208 4.550 -0.003 0.000 0.342 1189 Y C 0.026 176.154 175.900 0.380 0.000 1.021 1189 Y CA -0.888 57.361 58.100 0.247 0.000 1.079 1189 Y CB 2.187 40.706 38.460 0.098 0.000 1.226 1189 Y HN 0.329 nan 8.280 nan 0.000 0.460 1190 V N 3.970 124.244 119.914 0.600 0.000 2.459 1190 V HA 0.250 4.368 4.120 -0.003 0.000 0.295 1190 V C -0.557 175.907 176.094 0.617 0.000 1.029 1190 V CA -0.968 61.672 62.300 0.567 0.000 0.874 1190 V CB 1.671 33.781 31.823 0.477 0.000 0.985 1190 V HN 0.547 nan 8.190 nan 0.000 0.438 1191 L N 6.385 127.959 121.223 0.585 0.000 2.513 1191 L HA 0.234 4.572 4.340 -0.003 0.000 0.272 1191 L C 0.072 177.021 176.870 0.132 0.000 1.187 1191 L CA 0.814 55.794 54.840 0.234 0.000 0.895 1191 L CB 0.873 43.082 42.059 0.250 0.000 1.147 1191 L HN 0.472 nan 8.230 nan 0.000 0.483 1192 V N 6.719 126.627 119.914 -0.010 0.000 2.614 1192 V HA 0.100 4.218 4.120 -0.003 0.000 0.291 1192 V C 1.116 177.193 176.094 -0.029 0.000 1.049 1192 V CA 0.001 62.296 62.300 -0.009 0.000 1.038 1192 V CB 0.659 32.454 31.823 -0.046 0.000 0.980 1192 V HN 1.028 nan 8.190 nan 0.000 0.481 1193 N N 2.710 121.412 118.700 0.003 0.000 2.714 1193 N HA -0.236 4.502 4.740 -0.003 0.000 0.253 1193 N C 1.478 176.999 175.510 0.018 0.000 1.024 1193 N CA 0.394 53.449 53.050 0.008 0.000 0.726 1193 N CB -0.070 38.407 38.487 -0.016 0.000 0.908 1193 N HN 0.965 nan 8.380 nan 0.000 0.542 1194 S N 0.389 116.121 115.700 0.052 0.000 2.419 1194 S HA -0.136 4.333 4.470 -0.003 0.000 0.233 1194 S C 0.827 175.462 174.600 0.058 0.000 1.016 1194 S CA 1.530 59.770 58.200 0.068 0.000 0.974 1194 S CB -0.080 63.191 63.200 0.118 0.000 0.786 1194 S HN 0.561 nan 8.310 nan 0.000 0.492 1195 K N 1.234 121.667 120.400 0.055 0.000 3.129 1195 K HA -0.185 4.133 4.320 -0.003 0.000 0.273 1195 K C -0.279 176.353 176.600 0.053 0.000 1.123 1195 K CA 1.249 57.564 56.287 0.048 0.000 0.800 1195 K CB -1.975 30.544 32.500 0.033 0.000 1.238 1195 K HN 0.967 nan 8.250 nan 0.000 0.492 1196 E N -1.041 119.199 120.200 0.066 0.000 2.413 1196 E HA 0.324 4.672 4.350 -0.003 0.000 0.277 1196 E C 0.394 177.036 176.600 0.070 0.000 0.958 1196 E CA -0.972 55.467 56.400 0.065 0.000 0.779 1196 E CB 0.920 30.663 29.700 0.071 0.000 1.278 1196 E HN -0.019 nan 8.360 nan 0.000 0.456 1197 I N -0.192 120.414 120.570 0.060 0.000 2.315 1197 I HA -0.166 4.002 4.170 -0.003 0.000 0.248 1197 I C 1.195 177.351 176.117 0.065 0.000 1.117 1197 I CA 1.276 62.612 61.300 0.059 0.000 1.404 1197 I CB 0.100 38.132 38.000 0.053 0.000 1.071 1197 I HN 0.540 nan 8.210 nan 0.000 0.419 1198 Q N 0.293 120.132 119.800 0.065 0.000 2.372 1198 Q HA 0.413 4.751 4.340 -0.003 0.000 0.273 1198 Q C -1.449 174.617 176.000 0.110 0.000 1.078 1198 Q CA -0.481 55.366 55.803 0.073 0.000 0.806 1198 Q CB 2.352 31.106 28.738 0.027 0.000 1.332 1198 Q HN 0.003 nan 8.270 nan 0.000 0.435 1199 T N 2.172 116.803 114.554 0.128 0.000 2.900 1199 T HA 0.241 4.589 4.350 -0.003 0.000 0.303 1199 T C -1.086 173.678 174.700 0.107 0.000 1.142 1199 T CA -0.848 61.337 62.100 0.141 0.000 1.007 1199 T CB 1.653 70.632 68.868 0.184 0.000 1.156 1199 T HN 0.704 nan 8.240 nan 0.000 0.490 1200 Q N 1.768 121.584 119.800 0.026 0.000 2.474 1200 Q HA 0.454 4.792 4.340 -0.003 0.000 0.256 1200 Q C -0.763 175.009 176.000 -0.380 0.000 1.048 1200 Q CA -0.362 55.388 55.803 -0.088 0.000 0.922 1200 Q CB 0.382 28.928 28.738 -0.320 0.000 1.288 1200 Q HN 0.540 nan 8.270 nan 0.000 0.484 1201 L N 1.687 122.689 121.223 -0.367 0.000 2.418 1201 L HA 0.343 4.681 4.340 -0.003 0.000 0.265 1201 L C -0.549 176.100 176.870 -0.368 0.000 1.143 1201 L CA -0.531 54.073 54.840 -0.394 0.000 0.809 1201 L CB 0.383 42.019 42.059 -0.705 0.000 1.124 1201 L HN 0.624 nan 8.230 nan 0.000 0.456 1202 F N 2.702 122.719 119.950 0.111 0.000 2.411 1202 F HA 0.447 4.972 4.527 -0.003 0.000 0.352 1202 F C -0.145 175.771 175.800 0.193 0.000 1.123 1202 F CA -0.507 57.566 58.000 0.121 0.000 1.044 1202 F CB 1.018 40.010 39.000 -0.013 0.000 1.135 1202 F HN 0.118 nan 8.300 nan 0.000 0.461 1203 L N 4.350 125.813 121.223 0.399 0.000 2.280 1203 L HA 0.850 5.188 4.340 -0.003 0.000 0.287 1203 L C -0.122 176.976 176.870 0.381 0.000 1.023 1203 L CA -0.564 54.533 54.840 0.428 0.000 0.819 1203 L CB 1.027 43.377 42.059 0.485 0.000 1.212 1203 L HN 0.759 nan 8.230 nan 0.000 0.420 1204 A N 4.927 127.854 122.820 0.178 0.000 2.587 1204 A HA 0.916 5.234 4.320 -0.003 0.000 0.293 1204 A C -2.832 174.289 177.584 -0.770 0.000 1.087 1204 A CA -1.594 50.264 52.037 -0.297 0.000 0.692 1204 A CB 1.819 20.615 19.000 -0.340 0.000 1.291 1204 A HN 0.375 nan 8.150 nan 0.000 0.407 1205 P HA 0.219 nan 4.420 nan 0.000 0.269 1205 P C -0.397 176.711 177.300 -0.320 0.000 1.217 1205 P CA 0.096 62.726 63.100 -0.784 0.000 0.783 1205 P CB 0.212 31.587 31.700 -0.540 0.000 0.898 1206 I N 2.047 122.531 120.570 -0.144 0.000 2.683 1206 I HA 0.014 4.183 4.170 -0.003 0.000 0.286 1206 I C 0.966 177.028 176.117 -0.091 0.000 1.175 1206 I CA 0.878 62.167 61.300 -0.019 0.000 1.429 1206 I CB -0.475 37.512 38.000 -0.021 0.000 1.371 1206 I HN 0.567 nan 8.210 nan 0.000 0.569 1207 N N 3.190 121.840 118.700 -0.084 0.000 2.823 1207 N HA 0.331 5.069 4.740 -0.003 0.000 0.251 1207 N C -1.148 174.322 175.510 -0.066 0.000 1.392 1207 N CA -0.860 52.102 53.050 -0.147 0.000 0.864 1207 N CB 1.266 39.573 38.487 -0.300 0.000 1.481 1207 N HN 0.445 nan 8.380 nan 0.000 0.508 1208 D N -1.823 118.553 120.400 -0.040 0.000 2.623 1208 D HA 0.109 4.747 4.640 -0.003 0.000 0.252 1208 D C -0.701 175.618 176.300 0.031 0.000 1.294 1208 D CA -0.236 53.777 54.000 0.021 0.000 0.824 1208 D CB -0.313 40.502 40.800 0.026 0.000 1.070 1208 D HN 0.554 nan 8.370 nan 0.000 0.487 1209 D N 2.406 122.809 120.400 0.005 0.000 2.502 1209 D HA -0.050 4.588 4.640 -0.003 0.000 0.249 1209 D C -1.128 175.227 176.300 0.093 0.000 1.188 1209 D CA -1.171 52.857 54.000 0.047 0.000 0.890 1209 D CB 1.475 42.322 40.800 0.079 0.000 1.140 1209 D HN 0.052 nan 8.370 nan 0.000 0.505 1210 P HA -0.061 nan 4.420 nan 0.000 0.234 1210 P C 0.999 178.290 177.300 -0.016 0.000 1.167 1210 P CA 0.490 63.620 63.100 0.051 0.000 0.763 1210 P CB 0.166 31.881 31.700 0.026 0.000 0.835 1211 T N -0.828 113.651 114.554 -0.125 0.000 2.929 1211 T HA -0.025 4.323 4.350 -0.003 0.000 0.271 1211 T C 0.472 174.802 174.700 -0.616 0.000 1.085 1211 T CA 1.168 63.020 62.100 -0.413 0.000 1.125 1211 T CB -0.395 68.094 68.868 -0.631 0.000 0.874 1211 T HN 0.033 nan 8.240 nan 0.000 0.494 1212 F N -0.897 119.078 119.950 0.042 0.000 2.598 1212 F HA 0.642 5.168 4.527 -0.003 0.000 0.327 1212 F C -0.573 175.434 175.800 0.344 0.000 1.057 1212 F CA -1.871 56.218 58.000 0.149 0.000 0.957 1212 F CB 1.419 40.443 39.000 0.039 0.000 1.278 1212 F HN -0.132 nan 8.300 nan 0.000 0.484 1213 Y N 0.978 121.574 120.300 0.494 0.000 2.479 1213 Y HA 0.315 4.863 4.550 -0.003 0.000 0.338 1213 Y C -0.555 175.551 175.900 0.344 0.000 1.055 1213 Y CA -1.248 57.071 58.100 0.363 0.000 1.023 1213 Y CB 1.578 40.188 38.460 0.249 0.000 1.287 1213 Y HN 0.628 nan 8.280 nan 0.000 0.447 1214 D N 1.937 122.208 120.400 -0.214 0.000 2.500 1214 D HA 0.126 4.765 4.640 -0.003 0.000 0.217 1214 D C -0.815 175.438 176.300 -0.077 0.000 1.159 1214 D CA 0.191 54.064 54.000 -0.210 0.000 0.828 1214 D CB 0.037 40.551 40.800 -0.475 0.000 1.039 1214 D HN 0.136 nan 8.370 nan 0.000 0.512 1215 V N 1.713 121.391 119.914 -0.393 0.000 2.432 1215 V HA 0.371 4.490 4.120 -0.003 0.000 0.271 1215 V C 0.288 176.465 176.094 0.138 0.000 1.046 1215 V CA -0.295 61.947 62.300 -0.096 0.000 0.945 1215 V CB 0.700 32.419 31.823 -0.174 0.000 0.992 1215 V HN 0.116 nan 8.190 nan 0.000 0.471 1216 L N 4.508 125.808 121.223 0.129 0.000 2.257 1216 L HA 0.713 5.051 4.340 -0.003 0.000 0.257 1216 L C -0.489 176.394 176.870 0.022 0.000 1.033 1216 L CA -0.844 54.045 54.840 0.082 0.000 0.835 1216 L CB 2.193 44.223 42.059 -0.048 0.000 1.398 1216 L HN 0.508 nan 8.230 nan 0.000 0.429 1217 Q N 0.678 120.439 119.800 -0.065 0.000 2.421 1217 Q HA 0.631 4.970 4.340 -0.003 0.000 0.280 1217 Q C -1.530 174.362 176.000 -0.181 0.000 1.085 1217 Q CA -0.689 55.015 55.803 -0.166 0.000 0.807 1217 Q CB 3.433 32.040 28.738 -0.219 0.000 1.405 1217 Q HN 0.420 nan 8.270 nan 0.000 0.419 1218 I N 1.818 122.262 120.570 -0.209 0.000 2.362 1218 I HA 0.440 4.608 4.170 -0.003 0.000 0.289 1218 I C -0.362 175.615 176.117 -0.233 0.000 0.994 1218 I CA -0.719 60.466 61.300 -0.192 0.000 1.158 1218 I CB 0.901 38.785 38.000 -0.192 0.000 1.315 1218 I HN 0.246 nan 8.210 nan 0.000 0.451 1219 K N 5.360 125.599 120.400 -0.269 0.000 2.395 1219 K HA 0.626 4.944 4.320 -0.003 0.000 0.245 1219 K C -1.002 175.318 176.600 -0.467 0.000 1.017 1219 K CA -1.039 54.968 56.287 -0.467 0.000 0.852 1219 K CB 2.435 34.455 32.500 -0.800 0.000 1.311 1219 K HN 0.397 nan 8.250 nan 0.000 0.452 1220 K N 1.597 121.670 120.400 -0.546 0.000 2.664 1220 K HA 0.269 4.587 4.320 -0.003 0.000 0.234 1220 K C -0.375 175.966 176.600 -0.431 0.000 0.980 1220 K CA -0.211 55.816 56.287 -0.432 0.000 0.996 1220 K CB 0.922 33.263 32.500 -0.264 0.000 1.190 1220 K HN 0.408 nan 8.250 nan 0.000 0.479 1221 Y N 0.964 121.054 120.300 -0.350 0.000 2.510 1221 Y HA 0.037 4.585 4.550 -0.003 0.000 0.273 1221 Y C 0.274 176.147 175.900 -0.046 0.000 1.119 1221 Y CA 0.005 58.006 58.100 -0.165 0.000 1.286 1221 Y CB 0.173 38.608 38.460 -0.042 0.000 1.061 1221 Y HN 0.514 nan 8.280 nan 0.000 0.542 1222 Y N -5.442 114.962 120.300 0.175 0.000 2.788 1222 Y HA 0.420 4.968 4.550 -0.003 0.000 0.335 1222 Y C -0.025 175.939 175.900 0.106 0.000 1.287 1222 Y CA -2.390 55.791 58.100 0.136 0.000 1.068 1222 Y CB 0.381 38.909 38.460 0.114 0.000 1.340 1222 Y HN -0.252 nan 8.280 nan 0.000 0.449 1223 E N 0.228 120.637 120.200 0.349 0.000 2.269 1223 E HA -0.227 4.121 4.350 -0.003 0.000 0.223 1223 E C 0.132 176.797 176.600 0.108 0.000 1.244 1223 E CA 1.000 57.542 56.400 0.237 0.000 0.713 1223 E CB -0.931 28.931 29.700 0.270 0.000 1.178 1223 E HN 0.842 nan 8.360 nan 0.000 0.370 1224 K N -0.613 119.854 120.400 0.111 0.000 2.439 1224 K HA -0.061 4.257 4.320 -0.003 0.000 0.197 1224 K C 2.071 178.572 176.600 -0.166 0.000 1.041 1224 K CA 1.470 57.728 56.287 -0.048 0.000 0.970 1224 K CB -0.008 32.455 32.500 -0.063 0.000 0.773 1224 K HN 0.399 nan 8.250 nan 0.000 0.479 1225 T N -1.546 112.951 114.554 -0.094 0.000 3.100 1225 T HA -0.035 4.313 4.350 -0.003 0.000 0.253 1225 T C 1.073 175.725 174.700 -0.080 0.000 1.118 1225 T CA 0.165 62.178 62.100 -0.145 0.000 1.058 1225 T CB -0.361 68.463 68.868 -0.073 0.000 0.953 1225 T HN 0.157 nan 8.240 nan 0.000 0.515 1226 T N -0.733 113.783 114.554 -0.064 0.000 2.824 1226 T HA 0.371 4.719 4.350 -0.003 0.000 0.277 1226 T C 0.138 174.815 174.700 -0.038 0.000 0.975 1226 T CA -0.756 61.248 62.100 -0.161 0.000 0.966 1226 T CB 0.509 69.332 68.868 -0.075 0.000 1.054 1226 T HN 0.112 nan 8.240 nan 0.000 0.533 1227 Y N -0.403 119.883 120.300 -0.024 0.000 2.532 1227 Y HA 0.371 4.919 4.550 -0.003 0.000 0.283 1227 Y C 0.985 176.873 175.900 -0.019 0.000 1.181 1227 Y CA -1.677 56.399 58.100 -0.039 0.000 1.256 1227 Y CB -1.121 37.300 38.460 -0.065 0.000 1.112 1227 Y HN 0.477 nan 8.280 nan 0.000 0.521 1228 N N 0.985 119.746 118.700 0.103 0.000 2.503 1228 N HA 0.309 5.048 4.740 -0.003 0.000 0.267 1228 N C -0.069 175.459 175.510 0.030 0.000 1.214 1228 N CA 0.237 53.333 53.050 0.077 0.000 0.959 1228 N CB 1.657 40.173 38.487 0.049 0.000 1.142 1228 N HN 0.281 nan 8.380 nan 0.000 0.455 1229 C N -0.430 118.903 119.300 0.055 0.000 3.154 1229 C HA 0.667 5.125 4.460 -0.003 0.000 0.312 1229 C C -0.852 174.179 174.990 0.069 0.000 1.349 1229 C CA -0.929 58.093 59.018 0.007 0.000 1.518 1229 C CB 1.095 28.863 27.740 0.046 0.000 1.934 1229 C HN 0.558 nan 8.230 nan 0.000 0.462 1230 Q N 0.541 120.347 119.800 0.012 0.000 2.306 1230 Q HA 0.792 5.130 4.340 -0.003 0.000 0.265 1230 Q C -0.996 175.036 176.000 0.053 0.000 1.022 1230 Q CA -0.263 55.618 55.803 0.129 0.000 0.853 1230 Q CB 1.781 30.627 28.738 0.179 0.000 1.327 1230 Q HN 0.718 nan 8.270 nan 0.000 0.449 1231 I N 2.188 122.776 120.570 0.031 0.000 2.355 1231 I HA 0.350 4.518 4.170 -0.003 0.000 0.288 1231 I C -1.154 174.788 176.117 -0.291 0.000 0.999 1231 I CA -0.944 60.179 61.300 -0.295 0.000 1.163 1231 I CB 1.120 38.683 38.000 -0.729 0.000 1.316 1231 I HN 0.340 nan 8.210 nan 0.000 0.454 1232 L N 7.545 128.672 121.223 -0.161 0.000 2.307 1232 L HA 0.578 4.916 4.340 -0.003 0.000 0.284 1232 L C -0.823 176.097 176.870 0.083 0.000 1.023 1232 L CA -0.082 54.795 54.840 0.062 0.000 0.810 1232 L CB 1.535 43.711 42.059 0.194 0.000 1.231 1232 L HN 0.754 nan 8.230 nan 0.000 0.423 1233 C N 4.881 124.336 119.300 0.258 0.000 2.322 1233 C HA 0.584 5.043 4.460 -0.003 0.000 0.324 1233 C C 0.112 175.350 174.990 0.415 0.000 1.284 1233 C CA -0.361 58.872 59.018 0.359 0.000 1.606 1233 C CB 0.126 28.140 27.740 0.457 0.000 2.251 1233 C HN 0.984 nan 8.230 nan 0.000 0.502 1234 E N 4.665 125.071 120.200 0.343 0.000 3.909 1234 E HA 0.124 4.472 4.350 -0.003 0.000 0.236 1234 E C 0.819 177.469 176.600 0.083 0.000 1.222 1234 E CA -0.088 56.429 56.400 0.196 0.000 1.205 1234 E CB 0.327 30.083 29.700 0.093 0.000 1.249 1234 E HN 0.824 nan 8.360 nan 0.000 0.411 1235 K N 1.123 121.550 120.400 0.046 0.000 2.026 1235 K HA -0.128 4.190 4.320 -0.003 0.000 0.208 1235 K C 0.053 176.569 176.600 -0.140 0.000 1.048 1235 K CA 2.422 58.612 56.287 -0.162 0.000 0.929 1235 K CB 0.229 32.359 32.500 -0.617 0.000 0.713 1235 K HN 0.464 nan 8.250 nan 0.000 0.439 1236 D N -4.074 116.252 120.400 -0.122 0.000 2.879 1236 D HA -0.077 4.561 4.640 -0.003 0.000 0.346 1236 D C 0.482 176.736 176.300 -0.076 0.000 1.390 1236 D CA -0.020 53.908 54.000 -0.120 0.000 0.838 1236 D CB 0.343 41.089 40.800 -0.090 0.000 1.416 1236 D HN -0.012 nan 8.370 nan 0.000 0.493 1237 T N -2.390 112.141 114.554 -0.040 0.000 2.929 1237 T HA -0.097 4.251 4.350 -0.003 0.000 0.271 1237 T C 1.125 175.911 174.700 0.143 0.000 1.085 1237 T CA 1.064 63.215 62.100 0.085 0.000 1.125 1237 T CB -0.323 68.590 68.868 0.075 0.000 0.874 1237 T HN 0.410 nan 8.240 nan 0.000 0.494 1238 K N 0.742 121.186 120.400 0.073 0.000 2.400 1238 K HA 0.111 4.429 4.320 -0.003 0.000 0.194 1238 K C 0.011 176.665 176.600 0.091 0.000 1.033 1238 K CA 0.475 56.803 56.287 0.070 0.000 1.021 1238 K CB 0.485 32.999 32.500 0.024 0.000 0.808 1238 K HN 0.253 nan 8.250 nan 0.000 0.505 1239 T N 1.115 115.736 114.554 0.110 0.000 3.135 1239 T HA 0.282 4.631 4.350 -0.003 0.000 0.357 1239 T C -1.635 173.229 174.700 0.274 0.000 1.112 1239 T CA -0.507 61.679 62.100 0.143 0.000 1.290 1239 T CB 0.209 69.094 68.868 0.029 0.000 1.018 1239 T HN -0.023 nan 8.240 nan 0.000 0.527 1240 F N 1.866 121.883 119.950 0.112 0.000 2.722 1240 F HA 0.688 5.214 4.527 -0.003 0.000 0.336 1240 F C -0.391 175.504 175.800 0.157 0.000 1.216 1240 F CA -0.485 57.591 58.000 0.127 0.000 1.065 1240 F CB 1.069 40.121 39.000 0.087 0.000 1.325 1240 F HN 0.698 nan 8.300 nan 0.000 0.524 1241 G N 4.652 113.582 108.800 0.217 0.000 2.349 1241 G HA2 0.490 4.448 3.960 -0.003 0.000 0.294 1241 G HA3 0.490 4.448 3.960 -0.003 0.000 0.294 1241 G C -2.534 172.520 174.900 0.257 0.000 1.380 1241 G CA -0.917 44.240 45.100 0.096 0.000 0.811 1241 G HN 0.650 nan 8.290 nan 0.000 0.519 1242 L N 0.118 121.529 121.223 0.313 0.000 2.334 1242 L HA 0.586 4.925 4.340 -0.003 0.000 0.273 1242 L C -0.422 176.761 176.870 0.522 0.000 1.013 1242 L CA -0.939 54.120 54.840 0.366 0.000 0.816 1242 L CB 1.662 43.880 42.059 0.265 0.000 1.278 1242 L HN 0.370 nan 8.230 nan 0.000 0.431 1243 F N 1.145 121.208 119.950 0.188 0.000 2.529 1243 F HA 0.489 5.014 4.527 -0.003 0.000 0.365 1243 F C 0.978 177.005 175.800 0.378 0.000 1.102 1243 F CA -0.399 57.727 58.000 0.211 0.000 1.271 1243 F CB 0.695 39.735 39.000 0.066 0.000 1.120 1243 F HN 0.503 nan 8.300 nan 0.000 0.579 1244 G N 2.724 111.848 108.800 0.540 0.000 2.793 1244 G HA2 0.651 4.609 3.960 -0.003 0.000 0.248 1244 G HA3 0.651 4.609 3.960 -0.003 0.000 0.248 1244 G C -1.557 173.589 174.900 0.410 0.000 1.198 1244 G CA -0.699 44.633 45.100 0.387 0.000 0.865 1244 G HN 0.384 nan 8.290 nan 0.000 0.534 1245 I N 0.743 121.418 120.570 0.174 0.000 2.533 1245 I HA 0.593 4.761 4.170 -0.003 0.000 0.290 1245 I C 0.286 176.244 176.117 -0.265 0.000 1.056 1245 I CA -0.743 60.528 61.300 -0.048 0.000 1.057 1245 I CB 2.348 40.294 38.000 -0.091 0.000 1.240 1245 I HN 0.677 nan 8.210 nan 0.000 0.423 1246 G N 4.431 112.825 108.800 -0.677 0.000 2.489 1246 G HA2 0.584 4.542 3.960 -0.003 0.000 0.327 1246 G HA3 0.584 4.542 3.960 -0.003 0.000 0.327 1246 G C -1.093 173.351 174.900 -0.760 0.000 1.189 1246 G CA -0.657 43.961 45.100 -0.804 0.000 0.962 1246 G HN 0.456 nan 8.290 nan 0.000 0.486 1247 K N 0.432 120.600 120.400 -0.386 0.000 2.156 1247 K HA 0.314 4.632 4.320 -0.003 0.000 0.271 1247 K C 0.202 176.809 176.600 0.012 0.000 0.995 1247 K CA -0.615 55.553 56.287 -0.198 0.000 0.890 1247 K CB 1.597 34.034 32.500 -0.104 0.000 1.073 1247 K HN 0.336 nan 8.250 nan 0.000 0.454 1248 F N 0.876 120.948 119.950 0.202 0.000 2.113 1248 F HA -0.088 4.437 4.527 -0.003 0.000 0.297 1248 F C 1.113 176.943 175.800 0.050 0.000 1.103 1248 F CA 0.569 58.656 58.000 0.146 0.000 1.248 1248 F CB 0.123 39.161 39.000 0.063 0.000 0.999 1248 F HN 0.126 nan 8.300 nan 0.000 0.475 1249 V N 0.238 120.282 119.914 0.217 0.000 2.531 1249 V HA 0.221 4.339 4.120 -0.003 0.000 0.301 1249 V C 0.387 176.572 176.094 0.152 0.000 1.034 1249 V CA -1.042 61.312 62.300 0.090 0.000 0.865 1249 V CB 2.049 33.792 31.823 -0.133 0.000 0.995 1249 V HN 0.094 nan 8.190 nan 0.000 0.424 1250 K N 1.699 122.162 120.400 0.104 0.000 2.334 1250 K HA 0.101 4.419 4.320 -0.003 0.000 0.195 1250 K C 0.280 176.946 176.600 0.109 0.000 1.045 1250 K CA 0.515 56.847 56.287 0.074 0.000 1.004 1250 K CB 0.377 32.885 32.500 0.013 0.000 0.837 1250 K HN 0.835 nan 8.250 nan 0.000 0.510 1251 D N 0.322 120.820 120.400 0.164 0.000 2.980 1251 D HA 0.025 4.663 4.640 -0.003 0.000 0.333 1251 D C -0.402 176.052 176.300 0.258 0.000 1.356 1251 D CA -0.566 53.523 54.000 0.147 0.000 0.847 1251 D CB -0.268 40.584 40.800 0.087 0.000 1.122 1251 D HN 0.096 nan 8.370 nan 0.000 0.475 1257 D N 3.855 123.745 120.400 -0.850 0.000 2.422 1257 D HA 0.236 4.874 4.640 -0.003 0.000 0.227 1257 D C 1.534 177.675 176.300 -0.265 0.000 1.190 1257 D CA 1.033 54.658 54.000 -0.626 0.000 0.905 1257 D CB 1.362 41.568 40.800 -0.990 0.000 1.034 1257 D HN 0.125 nan 8.370 nan 0.000 0.507 1258 T N 0.813 115.259 114.554 -0.180 0.000 3.051 1258 T HA -0.148 4.200 4.350 -0.003 0.000 0.269 1258 T C 1.314 175.804 174.700 -0.350 0.000 1.127 1258 T CA 0.763 62.689 62.100 -0.290 0.000 1.107 1258 T CB -0.404 68.245 68.868 -0.364 0.000 0.898 1258 T HN 0.357 nan 8.240 nan 0.000 0.517 1259 Y N 0.861 121.134 120.300 -0.045 0.000 2.466 1259 Y HA 0.312 4.860 4.550 -0.003 0.000 0.272 1259 Y C 1.541 177.506 175.900 0.109 0.000 1.169 1259 Y CA -0.718 57.384 58.100 0.004 0.000 1.285 1259 Y CB -0.044 38.415 38.460 -0.002 0.000 1.078 1259 Y HN 0.234 nan 8.280 nan 0.000 0.523 1260 D N 0.539 121.037 120.400 0.164 0.000 2.413 1260 D HA 0.020 4.658 4.640 -0.003 0.000 0.237 1260 D C -0.484 175.846 176.300 0.050 0.000 1.171 1260 D CA 0.214 54.356 54.000 0.237 0.000 0.839 1260 D CB -0.414 40.454 40.800 0.115 0.000 0.950 1260 D HN 0.214 nan 8.370 nan 0.000 0.499 1261 N N 0.129 118.777 118.700 -0.088 0.000 2.416 1261 N HA 0.274 5.012 4.740 -0.003 0.000 0.276 1261 N C -1.262 174.028 175.510 -0.367 0.000 1.261 1261 N CA -0.686 52.139 53.050 -0.376 0.000 0.790 1261 N CB 1.804 40.142 38.487 -0.249 0.000 1.554 1261 N HN 0.058 nan 8.380 nan 0.000 0.481 1262 Y N -1.798 118.198 120.300 -0.508 0.000 2.553 1262 Y HA 0.610 5.158 4.550 -0.003 0.000 0.347 1262 Y C -0.959 174.967 175.900 0.043 0.000 1.019 1262 Y CA -1.364 56.617 58.100 -0.198 0.000 1.032 1262 Y CB 0.846 39.153 38.460 -0.254 0.000 1.284 1262 Y HN 0.331 nan 8.280 nan 0.000 0.466 1263 F N 4.474 124.472 119.950 0.080 0.000 2.502 1263 F HA 0.479 5.004 4.527 -0.003 0.000 0.371 1263 F C 0.177 175.989 175.800 0.020 0.000 1.083 1263 F CA -1.137 56.900 58.000 0.062 0.000 1.174 1263 F CB -0.095 38.971 39.000 0.110 0.000 1.096 1263 F HN 0.953 nan 8.300 nan 0.000 0.545 1264 C N 6.421 125.646 119.300 -0.125 0.000 3.213 1264 C HA 0.813 5.271 4.460 -0.003 0.000 0.319 1264 C C -0.559 174.295 174.990 -0.226 0.000 1.386 1264 C CA -1.276 57.639 59.018 -0.172 0.000 1.494 1264 C CB 1.194 28.857 27.740 -0.128 0.000 1.905 1264 C HN 0.924 nan 8.230 nan 0.000 0.456 1265 I N 1.768 122.280 120.570 -0.096 0.000 2.509 1265 I HA 0.660 4.829 4.170 -0.003 0.000 0.293 1265 I C -0.449 175.772 176.117 0.173 0.000 1.020 1265 I CA 0.276 61.625 61.300 0.082 0.000 1.088 1265 I CB 1.721 39.773 38.000 0.087 0.000 1.267 1265 I HN 0.998 nan 8.210 nan 0.000 0.430 1266 S N 4.834 120.702 115.700 0.281 0.000 2.541 1266 S HA 0.348 4.816 4.470 -0.003 0.000 0.280 1266 S C 0.191 174.893 174.600 0.170 0.000 1.112 1266 S CA -0.610 57.698 58.200 0.180 0.000 0.925 1266 S CB 2.146 65.371 63.200 0.043 0.000 1.067 1266 S HN 0.799 nan 8.310 nan 0.000 0.479 1267 Q N 1.844 121.688 119.800 0.073 0.000 2.369 1267 Q HA -0.071 4.267 4.340 -0.003 0.000 0.206 1267 Q C 1.101 177.093 176.000 -0.014 0.000 0.963 1267 Q CA 0.835 56.625 55.803 -0.022 0.000 0.894 1267 Q CB -0.011 28.703 28.738 -0.040 0.000 0.965 1267 Q HN 0.902 nan 8.270 nan 0.000 0.475 1268 W N 0.591 121.781 121.300 -0.183 0.000 2.342 1268 W HA -0.250 4.409 4.660 -0.003 0.000 0.297 1268 W C 1.146 177.543 176.519 -0.202 0.000 1.213 1268 W CA 1.452 58.655 57.345 -0.237 0.000 1.251 1268 W CB -0.187 29.061 29.460 -0.354 0.000 1.136 1268 W HN 0.118 nan 8.180 nan 0.000 0.526 1269 Y N 0.160 120.511 120.300 0.086 0.000 2.352 1269 Y HA -0.157 4.391 4.550 -0.003 0.000 0.292 1269 Y C 2.352 178.131 175.900 -0.201 0.000 1.136 1269 Y CA 1.457 59.523 58.100 -0.056 0.000 1.227 1269 Y CB -1.143 37.398 38.460 0.135 0.000 0.991 1269 Y HN -0.069 nan 8.280 nan 0.000 0.545 1270 L N 0.215 121.396 121.223 -0.069 0.000 2.042 1270 L HA -0.261 4.077 4.340 -0.003 0.000 0.210 1270 L C 2.600 179.342 176.870 -0.213 0.000 1.076 1270 L CA 2.085 56.816 54.840 -0.183 0.000 0.749 1270 L CB -0.581 41.286 42.059 -0.320 0.000 0.893 1270 L HN 0.265 nan 8.230 nan 0.000 0.432 1271 R N 0.001 120.337 120.500 -0.274 0.000 2.100 1271 R HA -0.116 4.222 4.340 -0.003 0.000 0.220 1271 R C 2.329 178.421 176.300 -0.347 0.000 1.091 1271 R CA 0.733 56.664 56.100 -0.282 0.000 0.986 1271 R CB -0.483 29.648 30.300 -0.281 0.000 0.888 1271 R HN 0.059 nan 8.270 nan 0.000 0.444 1272 R N 2.509 122.688 120.500 -0.535 0.000 2.105 1272 R HA -0.088 4.250 4.340 -0.003 0.000 0.239 1272 R C 2.196 178.308 176.300 -0.314 0.000 1.135 1272 R CA 1.913 57.672 56.100 -0.568 0.000 0.967 1272 R CB -0.639 29.105 30.300 -0.926 0.000 0.861 1272 R HN 0.648 nan 8.270 nan 0.000 0.442 1273 I N -2.525 117.914 120.570 -0.219 0.000 3.444 1273 I HA 0.133 4.301 4.170 -0.003 0.000 0.287 1273 I C 0.642 176.663 176.117 -0.159 0.000 1.302 1273 I CA 0.886 62.081 61.300 -0.176 0.000 1.368 1273 I CB 0.219 38.240 38.000 0.035 0.000 1.048 1273 I HN -0.074 nan 8.210 nan 0.000 0.487 1274 S N 0.158 115.764 115.700 -0.156 0.000 2.539 1274 S HA 0.222 4.690 4.470 -0.003 0.000 0.221 1274 S C 0.472 175.000 174.600 -0.119 0.000 0.987 1274 S CA -0.370 57.762 58.200 -0.113 0.000 0.929 1274 S CB -0.008 63.134 63.200 -0.096 0.000 0.832 1274 S HN 0.491 nan 8.310 nan 0.000 0.492 1275 E N 2.209 122.316 120.200 -0.155 0.000 2.374 1275 E HA 0.122 4.471 4.350 -0.003 0.000 0.260 1275 E C -0.036 176.498 176.600 -0.110 0.000 1.101 1275 E CA -0.358 55.962 56.400 -0.134 0.000 0.907 1275 E CB 0.293 29.898 29.700 -0.159 0.000 1.014 1275 E HN 0.002 nan 8.360 nan 0.000 0.427 1276 N N 2.685 121.336 118.700 -0.083 0.000 2.971 1276 N HA 0.102 4.840 4.740 -0.003 0.000 0.294 1276 N C -1.202 174.269 175.510 -0.066 0.000 1.210 1276 N CA 0.142 53.152 53.050 -0.066 0.000 1.157 1276 N CB -0.681 37.776 38.487 -0.049 0.000 1.450 1276 N HN 0.392 nan 8.380 nan 0.000 0.527 1277 I N -2.153 118.368 120.570 -0.083 0.000 3.102 1277 I HA 0.517 4.685 4.170 -0.003 0.000 0.310 1277 I C -0.475 175.589 176.117 -0.089 0.000 1.246 1277 I CA -1.384 59.870 61.300 -0.076 0.000 0.979 1277 I CB 1.438 39.389 38.000 -0.082 0.000 1.267 1277 I HN -0.086 nan 8.210 nan 0.000 0.451 1278 N N 2.501 121.161 118.700 -0.067 0.000 2.468 1278 N HA 0.149 4.887 4.740 -0.003 0.000 0.265 1278 N C -0.133 175.317 175.510 -0.100 0.000 1.199 1278 N CA 0.238 53.249 53.050 -0.065 0.000 0.928 1278 N CB 0.919 39.385 38.487 -0.035 0.000 1.059 1278 N HN 0.664 nan 8.380 nan 0.000 0.467 1279 K N 3.006 123.317 120.400 -0.148 0.000 2.358 1279 K HA 0.084 4.402 4.320 -0.003 0.000 0.197 1279 K C 1.121 177.679 176.600 -0.069 0.000 1.025 1279 K CA -0.264 55.867 56.287 -0.259 0.000 1.104 1279 K CB 0.337 32.376 32.500 -0.768 0.000 0.855 1279 K HN 0.330 nan 8.250 nan 0.000 0.531 1280 L N 1.184 122.403 121.223 -0.006 0.000 2.131 1280 L HA -0.077 4.261 4.340 -0.003 0.000 0.210 1280 L C 0.853 177.736 176.870 0.022 0.000 1.092 1280 L CA 1.834 56.699 54.840 0.042 0.000 0.759 1280 L CB 0.083 42.157 42.059 0.024 0.000 0.903 1280 L HN -0.007 nan 8.230 nan 0.000 0.435 1281 R N -0.988 119.507 120.500 -0.009 0.000 2.700 1281 R HA 0.332 4.670 4.340 -0.003 0.000 0.399 1281 R C -0.539 175.733 176.300 -0.045 0.000 1.115 1281 R CA -0.306 55.772 56.100 -0.036 0.000 1.058 1281 R CB 0.219 30.499 30.300 -0.034 0.000 1.389 1281 R HN 0.203 nan 8.270 nan 0.000 0.582 1282 L N -0.610 120.598 121.223 -0.025 0.000 2.452 1282 L HA 0.193 4.531 4.340 -0.003 0.000 0.267 1282 L C 1.738 178.544 176.870 -0.106 0.000 1.188 1282 L CA 0.011 54.856 54.840 0.008 0.000 0.821 1282 L CB 0.741 42.834 42.059 0.056 0.000 1.102 1282 L HN 0.318 nan 8.230 nan 0.000 0.470 1283 G N 0.384 109.152 108.800 -0.054 0.000 2.679 1283 G HA2 -0.152 3.806 3.960 -0.003 0.000 0.212 1283 G HA3 -0.152 3.806 3.960 -0.003 0.000 0.212 1283 G C 1.120 175.688 174.900 -0.553 0.000 1.137 1283 G CA 0.586 45.539 45.100 -0.244 0.000 0.787 1283 G HN 0.873 nan 8.290 nan 0.000 0.534 1284 C N -0.476 118.461 119.300 -0.605 0.000 2.673 1284 C HA 0.362 4.821 4.460 -0.003 0.000 0.274 1284 C C 0.306 175.064 174.990 -0.386 0.000 1.276 1284 C CA -1.822 56.823 59.018 -0.621 0.000 1.701 1284 C CB -1.299 26.002 27.740 -0.732 0.000 1.836 1284 C HN 0.088 nan 8.230 nan 0.000 0.596 1285 N N 1.105 119.524 118.700 -0.469 0.000 2.426 1285 N HA 0.449 5.187 4.740 -0.003 0.000 0.275 1285 N C -1.202 173.983 175.510 -0.542 0.000 1.019 1285 N CA 0.217 53.092 53.050 -0.292 0.000 0.941 1285 N CB 0.656 39.077 38.487 -0.110 0.000 1.123 1285 N HN 0.647 nan 8.380 nan 0.000 0.486 1286 W N 0.524 121.774 121.300 -0.082 0.000 2.864 1286 W HA 0.472 5.131 4.660 -0.003 0.000 0.343 1286 W C -0.060 176.396 176.519 -0.105 0.000 1.109 1286 W CA -0.654 56.597 57.345 -0.156 0.000 1.192 1286 W CB 1.495 30.780 29.460 -0.291 0.000 1.426 1286 W HN 0.155 nan 8.180 nan 0.000 0.529 1287 Q N 1.121 121.040 119.800 0.199 0.000 2.423 1287 Q HA 0.549 4.887 4.340 -0.003 0.000 0.278 1287 Q C -1.616 174.284 176.000 -0.166 0.000 1.097 1287 Q CA -1.178 54.691 55.803 0.110 0.000 0.809 1287 Q CB 2.793 31.721 28.738 0.317 0.000 1.391 1287 Q HN 0.281 nan 8.270 nan 0.000 0.428 1288 F N 1.591 121.476 119.950 -0.107 0.000 2.427 1288 F HA 0.480 5.005 4.527 -0.003 0.000 0.346 1288 F C -0.137 175.522 175.800 -0.236 0.000 1.120 1288 F CA -0.573 57.243 58.000 -0.307 0.000 1.033 1288 F CB 1.019 39.507 39.000 -0.854 0.000 1.126 1288 F HN 0.272 nan 8.300 nan 0.000 0.462 1289 I N 6.357 126.994 120.570 0.111 0.000 2.371 1289 I HA 0.301 4.469 4.170 -0.003 0.000 0.282 1289 I C -2.456 173.945 176.117 0.473 0.000 1.031 1289 I CA -2.025 59.300 61.300 0.041 0.000 1.180 1289 I CB 1.226 39.038 38.000 -0.312 0.000 1.336 1289 I HN 0.260 nan 8.210 nan 0.000 0.467 1290 P HA 0.193 nan 4.420 nan 0.000 0.279 1290 P C -0.244 177.366 177.300 0.517 0.000 1.252 1290 P CA -0.364 63.024 63.100 0.480 0.000 0.811 1290 P CB 1.619 33.574 31.700 0.426 0.000 1.035 1291 V N 1.903 121.917 119.914 0.167 0.000 2.572 1291 V HA 0.075 4.193 4.120 -0.003 0.000 0.291 1291 V C 0.562 176.741 176.094 0.142 0.000 1.039 1291 V CA 0.855 63.113 62.300 -0.069 0.000 1.055 1291 V CB -0.163 31.472 31.823 -0.313 0.000 0.969 1291 V HN 0.653 nan 8.190 nan 0.000 0.482 1292 D N 1.538 122.072 120.400 0.223 0.000 2.738 1292 D HA 0.329 4.967 4.640 -0.003 0.000 0.237 1292 D C 0.980 177.309 176.300 0.048 0.000 1.123 1292 D CA -0.508 53.497 54.000 0.008 0.000 0.856 1292 D CB 1.776 42.297 40.800 -0.465 0.000 1.552 1292 D HN 0.702 nan 8.370 nan 0.000 0.480 1293 E N 1.455 121.666 120.200 0.018 0.000 2.204 1293 E HA -0.084 4.265 4.350 -0.003 0.000 0.195 1293 E C 1.405 178.097 176.600 0.153 0.000 0.990 1293 E CA 0.937 57.377 56.400 0.066 0.000 0.821 1293 E CB -0.108 29.588 29.700 -0.007 0.000 0.750 1293 E HN 0.424 nan 8.360 nan 0.000 0.477 1294 G N 0.121 109.011 108.800 0.149 0.000 2.920 1294 G HA2 -0.102 3.856 3.960 -0.003 0.000 0.208 1294 G HA3 -0.102 3.856 3.960 -0.003 0.000 0.208 1294 G C -0.597 174.297 174.900 -0.010 0.000 1.159 1294 G CA -0.374 44.806 45.100 0.133 0.000 0.784 1294 G HN 0.295 nan 8.290 nan 0.000 0.535 1295 W N 2.381 123.576 121.300 -0.175 0.000 2.631 1295 W HA 0.454 5.113 4.660 -0.003 0.000 0.321 1295 W C -0.846 175.670 176.519 -0.006 0.000 1.004 1295 W CA -0.706 56.542 57.345 -0.162 0.000 1.291 1295 W CB 1.370 30.747 29.460 -0.138 0.000 1.300 1295 W HN 0.028 nan 8.180 nan 0.000 0.422 1296 T N 1.958 116.335 114.554 -0.295 0.000 2.856 1296 T HA 0.731 5.079 4.350 -0.003 0.000 0.283 1296 T C -0.490 174.018 174.700 -0.320 0.000 1.008 1296 T CA -0.453 61.582 62.100 -0.108 0.000 0.997 1296 T CB 2.809 71.627 68.868 -0.084 0.000 0.992 1296 T HN 0.543 nan 8.240 nan 0.000 0.454 1297 E N 2.579 122.749 120.200 -0.049 0.000 2.456 1297 E HA 0.642 4.991 4.350 -0.003 0.000 0.276 1297 E C -0.999 175.649 176.600 0.080 0.000 0.981 1297 E CA -1.283 55.105 56.400 -0.020 0.000 0.814 1297 E CB 1.323 31.095 29.700 0.120 0.000 1.382 1297 E HN 0.538 nan 8.360 nan 0.000 0.459 1298 L N 0.000 121.286 121.223 0.106 0.000 2.949 1298 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 1298 L CA 0.000 54.904 54.840 0.106 0.000 0.813 1298 L CB 0.000 42.135 42.059 0.127 0.000 0.961 1298 L HN 0.000 nan 8.230 nan 0.000 0.502