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 3kz1_1_B DATA FIRST_RESID 715 DATA SEQUENCE NWQHTVGKDV VAGLTQREID RQEVINELFV TEASHLRTLR VLDLIFYQRM DATA SEQUENCE KKENLMPREE LARLFPNLPE LIEIHNSWCE AMKKLREEGP IIKEISDLML DATA SEQUENCE ARFDGPAREE LQQVAAQFCS YQSIALELIK TKQRKESRFQ LFMQEAESHP DATA SEQUENCE QCRRLQLRDL IISEMQRLTK YPLLLESIIK HTEGGTSEHE KLCRARDQCR DATA SEQUENCE EILKYVNEAV KQTENRHRLE GYQKRLDATA LERASNPLAA EFKSLDLTTR DATA SEQUENCE KMIHEGPLTW RISKDKTLDL HVLLLEDLLV LLQKQDEKLL LKCHSKXXXX DATA SEQUENCE XXXXXXTFSP VLKLNAVLIR SVATDKRAFF IICTSKLGPP QIYELVALTS DATA SEQUENCE SDKNTWMELL EEAVRNA 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 715 N HA 0.000 nan 4.740 nan 0.000 0.220 715 N C 0.000 175.612 175.510 0.171 0.000 1.280 715 N CA 0.000 53.156 53.050 0.177 0.000 0.885 715 N CB 0.000 38.588 38.487 0.169 0.000 1.341 716 W N 2.186 123.460 121.300 -0.044 0.000 2.523 716 W HA 0.048 4.717 4.660 0.015 0.000 0.278 716 W C 1.790 178.254 176.519 -0.090 0.000 1.236 716 W CA 1.223 58.533 57.345 -0.059 0.000 1.306 716 W CB 0.304 29.716 29.460 -0.079 0.000 1.101 716 W HN 0.678 nan 8.180 nan 0.000 0.577 717 Q N -1.342 118.381 119.800 -0.128 0.000 2.369 717 Q HA -0.185 4.164 4.340 0.014 0.000 0.206 717 Q C 1.399 177.144 176.000 -0.424 0.000 0.963 717 Q CA 1.195 56.755 55.803 -0.405 0.000 0.894 717 Q CB -0.806 27.796 28.738 -0.227 0.000 0.965 717 Q HN 0.409 nan 8.270 nan 0.000 0.475 718 H N 1.642 120.634 119.070 -0.130 0.000 2.448 718 H HA 0.051 4.616 4.556 0.014 0.000 0.292 718 H C 1.169 176.412 175.328 -0.142 0.000 1.035 718 H CA 1.415 57.399 56.048 -0.105 0.000 1.349 718 H CB 0.006 29.739 29.762 -0.049 0.000 1.425 718 H HN 0.435 nan 8.280 nan 0.000 0.539 719 T N -1.268 113.229 114.554 -0.094 0.000 2.729 719 T HA 0.311 4.669 4.350 0.014 0.000 0.298 719 T C 1.704 176.211 174.700 -0.321 0.000 1.013 719 T CA 0.877 62.880 62.100 -0.162 0.000 0.957 719 T CB 1.268 70.052 68.868 -0.139 0.000 1.130 719 T HN 0.273 nan 8.240 nan 0.000 0.526 720 V N -3.152 116.584 119.914 -0.296 0.000 0.489 720 V HA -0.136 3.993 4.120 0.014 0.000 0.092 720 V C 1.194 177.143 176.094 -0.242 0.000 2.367 720 V CA 2.147 64.247 62.300 -0.334 0.000 3.630 720 V CB -2.348 29.089 31.823 -0.644 0.000 0.914 720 V HN 3.009 nan 8.190 nan 0.000 0.957 721 G N 0.623 109.277 108.800 -0.243 0.000 2.483 721 G HA2 0.251 4.219 3.960 0.014 0.000 0.521 721 G HA3 0.251 4.219 3.960 0.014 0.000 0.521 721 G C -0.220 174.577 174.900 -0.172 0.000 1.278 721 G CA 0.482 45.486 45.100 -0.160 0.000 0.965 721 G HN 1.692 nan 8.290 nan 0.000 0.504 722 K N -0.743 119.591 120.400 -0.109 0.000 2.374 722 K HA 0.225 4.554 4.320 0.014 0.000 0.202 722 K C 0.773 177.333 176.600 -0.066 0.000 1.040 722 K CA 1.045 57.278 56.287 -0.090 0.000 1.085 722 K CB 0.750 33.214 32.500 -0.059 0.000 0.873 722 K HN 0.330 nan 8.250 nan 0.000 0.539 723 D N 1.686 122.047 120.400 -0.065 0.000 2.224 723 D HA -0.071 4.577 4.640 0.014 0.000 0.205 723 D C 1.887 178.159 176.300 -0.046 0.000 0.965 723 D CA 0.581 54.553 54.000 -0.046 0.000 0.852 723 D CB 0.043 40.819 40.800 -0.041 0.000 0.947 723 D HN -0.046 nan 8.370 nan 0.000 0.494 724 V N 0.243 120.111 119.914 -0.076 0.000 2.407 724 V HA -0.139 3.989 4.120 0.014 0.000 0.245 724 V C 2.440 178.513 176.094 -0.036 0.000 1.041 724 V CA 0.799 63.057 62.300 -0.070 0.000 1.040 724 V CB -0.307 31.427 31.823 -0.150 0.000 0.671 724 V HN 0.080 nan 8.190 nan 0.000 0.455 725 V N -0.030 119.840 119.914 -0.072 0.000 2.568 725 V HA -0.192 3.937 4.120 0.014 0.000 0.253 725 V C 2.114 178.214 176.094 0.011 0.000 1.072 725 V CA 1.050 63.342 62.300 -0.013 0.000 1.084 725 V CB -1.336 30.458 31.823 -0.048 0.000 0.676 725 V HN 0.622 nan 8.190 nan 0.000 0.469 726 A N 0.553 123.369 122.820 -0.007 0.000 5.326 726 A HA -0.348 3.980 4.320 0.014 0.000 0.379 726 A C 1.710 179.298 177.584 0.007 0.000 1.574 726 A CA 1.953 53.989 52.037 -0.000 0.000 0.834 726 A CB -1.789 17.214 19.000 0.004 0.000 1.524 726 A HN 1.149 nan 8.150 nan 0.000 0.448 727 G N -1.159 107.647 108.800 0.011 0.000 3.949 727 G HA2 0.497 4.465 3.960 0.014 0.000 0.295 727 G HA3 0.497 4.465 3.960 0.014 0.000 0.295 727 G C 0.077 174.986 174.900 0.016 0.000 1.286 727 G CA -0.108 44.998 45.100 0.011 0.000 1.171 727 G HN 0.549 nan 8.290 nan 0.000 0.586 728 L N 0.450 121.688 121.223 0.025 0.000 2.417 728 L HA 0.284 4.633 4.340 0.014 0.000 0.268 728 L C 1.057 177.936 176.870 0.016 0.000 1.158 728 L CA -0.282 54.575 54.840 0.029 0.000 0.819 728 L CB 1.300 43.395 42.059 0.060 0.000 1.112 728 L HN 0.046 nan 8.230 nan 0.000 0.458 729 T N 0.493 115.051 114.554 0.007 0.000 2.882 729 T HA 0.017 4.376 4.350 0.014 0.000 0.287 729 T C 0.731 175.426 174.700 -0.009 0.000 1.014 729 T CA -0.355 61.745 62.100 -0.000 0.000 1.049 729 T CB 1.503 70.370 68.868 -0.002 0.000 1.001 729 T HN 0.631 nan 8.240 nan 0.000 0.525 730 Q N 2.395 122.189 119.800 -0.010 0.000 2.014 730 Q HA -0.144 4.204 4.340 0.014 0.000 0.207 730 Q C 2.337 178.306 176.000 -0.053 0.000 0.993 730 Q CA 2.238 58.027 55.803 -0.022 0.000 0.850 730 Q CB -0.339 28.392 28.738 -0.010 0.000 0.916 730 Q HN 0.699 nan 8.270 nan 0.000 0.417 731 R N -0.206 120.276 120.500 -0.030 0.000 2.134 731 R HA -0.263 4.085 4.340 0.014 0.000 0.248 731 R C 1.962 178.206 176.300 -0.092 0.000 1.143 731 R CA 2.044 58.126 56.100 -0.029 0.000 0.957 731 R CB -0.378 29.940 30.300 0.030 0.000 0.867 731 R HN 0.254 nan 8.270 nan 0.000 0.441 732 E N 0.421 120.580 120.200 -0.068 0.000 2.152 732 E HA -0.099 4.260 4.350 0.014 0.000 0.192 732 E C 1.853 178.361 176.600 -0.154 0.000 0.983 732 E CA 1.358 57.703 56.400 -0.092 0.000 0.818 732 E CB -0.122 29.548 29.700 -0.050 0.000 0.758 732 E HN 0.554 nan 8.360 nan 0.000 0.467 733 I N 0.914 121.419 120.570 -0.109 0.000 2.252 733 I HA -0.218 3.961 4.170 0.014 0.000 0.245 733 I C 1.607 177.602 176.117 -0.204 0.000 1.102 733 I CA 1.294 62.541 61.300 -0.089 0.000 1.385 733 I CB -0.270 37.739 38.000 0.015 0.000 1.064 733 I HN 0.029 nan 8.210 nan 0.000 0.414 734 D N 0.611 120.842 120.400 -0.282 0.000 2.178 734 D HA -0.183 4.465 4.640 0.014 0.000 0.201 734 D C 2.180 178.185 176.300 -0.492 0.000 0.980 734 D CA 0.945 54.662 54.000 -0.472 0.000 0.842 734 D CB -0.307 39.997 40.800 -0.826 0.000 0.948 734 D HN 0.313 nan 8.370 nan 0.000 0.472 735 R N 0.439 120.711 120.500 -0.381 0.000 2.075 735 R HA -0.103 4.245 4.340 0.014 0.000 0.232 735 R C 2.060 178.169 176.300 -0.320 0.000 1.126 735 R CA 0.980 56.949 56.100 -0.220 0.000 0.963 735 R CB 0.157 30.381 30.300 -0.126 0.000 0.858 735 R HN 0.027 nan 8.270 nan 0.000 0.435 736 Q N 0.393 119.880 119.800 -0.522 0.000 2.124 736 Q HA -0.146 4.202 4.340 0.014 0.000 0.202 736 Q C 1.862 177.389 176.000 -0.788 0.000 0.977 736 Q CA 1.128 56.377 55.803 -0.925 0.000 0.850 736 Q CB -0.043 27.589 28.738 -1.843 0.000 0.901 736 Q HN 0.377 nan 8.270 nan 0.000 0.429 737 E N 0.116 120.045 120.200 -0.453 0.000 2.077 737 E HA -0.109 4.249 4.350 0.014 0.000 0.193 737 E C 2.211 178.733 176.600 -0.129 0.000 0.989 737 E CA 0.910 57.200 56.400 -0.183 0.000 0.800 737 E CB -0.134 29.519 29.700 -0.078 0.000 0.746 737 E HN 0.158 nan 8.360 nan 0.000 0.452 738 V N 1.363 121.205 119.914 -0.119 0.000 2.323 738 V HA -0.199 3.930 4.120 0.014 0.000 0.244 738 V C 2.472 178.536 176.094 -0.050 0.000 1.041 738 V CA 1.189 63.471 62.300 -0.029 0.000 1.025 738 V CB -0.439 31.412 31.823 0.048 0.000 0.656 738 V HN 0.157 nan 8.190 nan 0.000 0.451 739 I N 0.782 121.259 120.570 -0.154 0.000 2.208 739 I HA -0.309 3.870 4.170 0.014 0.000 0.245 739 I C 2.529 178.475 176.117 -0.285 0.000 1.097 739 I CA 1.981 63.154 61.300 -0.213 0.000 1.363 739 I CB -0.519 37.261 38.000 -0.366 0.000 1.051 739 I HN 0.438 nan 8.210 nan 0.000 0.413 740 N N 0.655 119.159 118.700 -0.327 0.000 2.166 740 N HA -0.259 4.490 4.740 0.014 0.000 0.186 740 N C 1.903 177.434 175.510 0.035 0.000 1.019 740 N CA 1.328 54.276 53.050 -0.169 0.000 0.856 740 N CB 0.019 38.473 38.487 -0.055 0.000 0.993 740 N HN 0.444 nan 8.380 nan 0.000 0.426 741 E N 0.317 120.542 120.200 0.042 0.000 2.077 741 E HA -0.182 4.176 4.350 0.014 0.000 0.193 741 E C 2.143 178.831 176.600 0.147 0.000 0.989 741 E CA 0.594 57.052 56.400 0.096 0.000 0.800 741 E CB -0.013 29.735 29.700 0.080 0.000 0.746 741 E HN 0.264 nan 8.360 nan 0.000 0.452 742 L N 0.254 121.582 121.223 0.175 0.000 2.046 742 L HA -0.132 4.216 4.340 0.014 0.000 0.208 742 L C 1.925 178.957 176.870 0.271 0.000 1.077 742 L CA 1.643 56.631 54.840 0.247 0.000 0.747 742 L CB -0.664 41.559 42.059 0.274 0.000 0.896 742 L HN 0.087 nan 8.230 nan 0.000 0.432 743 F N -0.661 119.267 119.950 -0.036 0.000 2.075 743 F HA -0.153 4.382 4.527 0.014 0.000 0.297 743 F C 2.515 178.310 175.800 -0.008 0.000 1.113 743 F CA 1.703 59.660 58.000 -0.071 0.000 1.218 743 F CB -1.244 37.714 39.000 -0.069 0.000 0.984 743 F HN -0.113 nan 8.300 nan 0.000 0.472 744 V N -0.120 119.933 119.914 0.232 0.000 2.427 744 V HA -0.253 3.875 4.120 0.014 0.000 0.248 744 V C 2.408 178.578 176.094 0.128 0.000 1.051 744 V CA 2.167 64.559 62.300 0.154 0.000 1.048 744 V CB -1.436 30.469 31.823 0.136 0.000 0.666 744 V HN 0.542 nan 8.190 nan 0.000 0.456 745 T N -1.924 112.713 114.554 0.139 0.000 3.035 745 T HA -0.160 4.198 4.350 0.014 0.000 0.268 745 T C 1.649 176.442 174.700 0.156 0.000 1.109 745 T CA 1.402 63.582 62.100 0.133 0.000 1.119 745 T CB -0.131 68.811 68.868 0.123 0.000 0.900 745 T HN 0.429 nan 8.240 nan 0.000 0.503 746 E N 1.962 122.253 120.200 0.153 0.000 2.107 746 E HA 0.179 4.537 4.350 0.014 0.000 0.191 746 E C 2.289 178.975 176.600 0.144 0.000 0.982 746 E CA 1.179 57.682 56.400 0.172 0.000 0.809 746 E CB -0.795 28.945 29.700 0.067 0.000 0.756 746 E HN 0.584 nan 8.360 nan 0.000 0.459 747 A N -0.099 122.774 122.820 0.088 0.000 1.873 747 A HA -0.139 4.190 4.320 0.014 0.000 0.215 747 A C 2.441 180.071 177.584 0.077 0.000 1.186 747 A CA 1.786 53.866 52.037 0.072 0.000 0.616 747 A CB -0.841 18.192 19.000 0.055 0.000 0.823 747 A HN 0.275 nan 8.150 nan 0.000 0.442 748 S N -1.255 114.499 115.700 0.089 0.000 2.365 748 S HA -0.229 4.250 4.470 0.014 0.000 0.225 748 S C 1.966 176.610 174.600 0.073 0.000 1.039 748 S CA 1.350 59.596 58.200 0.077 0.000 1.033 748 S CB -0.630 62.620 63.200 0.084 0.000 0.887 748 S HN 0.752 nan 8.310 nan 0.000 0.447 749 H N 1.038 120.109 119.070 0.002 0.000 2.290 749 H HA -0.051 4.513 4.556 0.014 0.000 0.298 749 H C 2.329 177.616 175.328 -0.069 0.000 1.087 749 H CA 1.503 57.522 56.048 -0.050 0.000 1.291 749 H CB -0.500 29.206 29.762 -0.094 0.000 1.369 749 H HN 0.242 nan 8.280 nan 0.000 0.492 750 L N 1.733 122.956 121.223 -0.000 0.000 1.997 750 L HA -0.259 4.090 4.340 0.014 0.000 0.216 750 L C 2.891 179.724 176.870 -0.062 0.000 1.074 750 L CA 2.521 57.347 54.840 -0.023 0.000 0.763 750 L CB -0.590 41.509 42.059 0.066 0.000 0.890 750 L HN 0.466 nan 8.230 nan 0.000 0.434 751 R N -1.471 119.012 120.500 -0.028 0.000 2.096 751 R HA -0.127 4.222 4.340 0.014 0.000 0.235 751 R C 1.898 178.171 176.300 -0.044 0.000 1.127 751 R CA 1.819 57.906 56.100 -0.021 0.000 0.968 751 R CB -1.265 29.040 30.300 0.008 0.000 0.861 751 R HN 0.211 nan 8.270 nan 0.000 0.440 752 T N 1.989 116.493 114.554 -0.084 0.000 2.720 752 T HA -0.063 4.295 4.350 0.014 0.000 0.268 752 T C 1.833 176.466 174.700 -0.112 0.000 1.037 752 T CA 1.558 63.603 62.100 -0.091 0.000 1.144 752 T CB -0.215 68.575 68.868 -0.130 0.000 0.864 752 T HN 0.154 nan 8.240 nan 0.000 0.444 753 L N 0.172 121.270 121.223 -0.208 0.000 2.131 753 L HA -0.057 4.291 4.340 0.014 0.000 0.210 753 L C 2.942 179.759 176.870 -0.088 0.000 1.092 753 L CA 1.248 55.985 54.840 -0.170 0.000 0.759 753 L CB -0.481 41.443 42.059 -0.225 0.000 0.903 753 L HN 0.146 nan 8.230 nan 0.000 0.435 754 R N -0.519 119.943 120.500 -0.062 0.000 2.090 754 R HA -0.076 4.272 4.340 0.014 0.000 0.228 754 R C 2.294 178.588 176.300 -0.010 0.000 1.110 754 R CA 0.949 57.030 56.100 -0.032 0.000 0.973 754 R CB -0.367 29.922 30.300 -0.019 0.000 0.869 754 R HN 0.191 nan 8.270 nan 0.000 0.440 755 V N 1.942 121.862 119.914 0.010 0.000 2.287 755 V HA -0.269 3.859 4.120 0.014 0.000 0.248 755 V C 2.436 178.610 176.094 0.133 0.000 1.053 755 V CA 1.721 64.054 62.300 0.055 0.000 1.027 755 V CB -0.480 31.393 31.823 0.083 0.000 0.646 755 V HN 0.285 nan 8.190 nan 0.000 0.447 756 L N 0.055 121.350 121.223 0.120 0.000 2.051 756 L HA -0.297 4.052 4.340 0.014 0.000 0.214 756 L C 2.325 179.218 176.870 0.037 0.000 1.076 756 L CA 2.365 57.288 54.840 0.139 0.000 0.758 756 L CB -0.607 41.502 42.059 0.082 0.000 0.890 756 L HN 0.475 nan 8.230 nan 0.000 0.433 757 D N -0.587 119.797 120.400 -0.027 0.000 2.120 757 D HA -0.177 4.472 4.640 0.014 0.000 0.202 757 D C 2.003 178.318 176.300 0.025 0.000 0.972 757 D CA 0.680 54.659 54.000 -0.034 0.000 0.837 757 D CB 0.128 40.904 40.800 -0.039 0.000 0.989 757 D HN 0.069 nan 8.370 nan 0.000 0.469 758 L N 0.153 121.374 121.223 -0.002 0.000 2.044 758 L HA 0.117 4.466 4.340 0.014 0.000 0.205 758 L C 1.943 178.753 176.870 -0.100 0.000 1.075 758 L CA 1.584 56.397 54.840 -0.045 0.000 0.747 758 L CB -0.409 41.609 42.059 -0.068 0.000 0.903 758 L HN 0.204 nan 8.230 nan 0.000 0.435 759 I N -2.312 118.182 120.570 -0.127 0.000 2.703 759 I HA -0.112 4.066 4.170 0.014 0.000 0.259 759 I C 1.508 177.395 176.117 -0.384 0.000 1.151 759 I CA 0.588 61.688 61.300 -0.333 0.000 1.470 759 I CB -0.036 37.694 38.000 -0.449 0.000 1.112 759 I HN 0.099 nan 8.210 nan 0.000 0.437 760 F N -0.889 119.081 119.950 0.033 0.000 2.394 760 F HA 0.002 4.538 4.527 0.015 0.000 0.269 760 F C 2.354 178.224 175.800 0.117 0.000 1.012 760 F CA 0.622 58.725 58.000 0.171 0.000 1.138 760 F CB -1.099 38.052 39.000 0.252 0.000 1.140 760 F HN -0.174 nan 8.300 nan 0.000 0.623 761 Y N 1.568 121.836 120.300 -0.053 0.000 2.081 761 Y HA -0.295 4.264 4.550 0.014 0.000 0.280 761 Y C 2.509 178.394 175.900 -0.025 0.000 1.163 761 Y CA 1.940 59.913 58.100 -0.212 0.000 1.135 761 Y CB -0.591 37.518 38.460 -0.586 0.000 0.970 761 Y HN 0.057 nan 8.280 nan 0.000 0.498 762 Q N 0.152 119.884 119.800 -0.113 0.000 2.119 762 Q HA -0.147 4.201 4.340 0.014 0.000 0.201 762 Q C 2.413 178.344 176.000 -0.114 0.000 0.972 762 Q CA 1.622 57.319 55.803 -0.176 0.000 0.847 762 Q CB -0.410 28.296 28.738 -0.053 0.000 0.903 762 Q HN 0.550 nan 8.270 nan 0.000 0.433 763 R N -0.372 120.122 120.500 -0.009 0.000 2.148 763 R HA 0.093 4.442 4.340 0.014 0.000 0.223 763 R C 2.304 178.727 176.300 0.204 0.000 1.088 763 R CA 0.626 56.781 56.100 0.090 0.000 0.985 763 R CB -0.014 30.321 30.300 0.057 0.000 0.880 763 R HN 0.232 nan 8.270 nan 0.000 0.451 764 M N 0.016 119.686 119.600 0.117 0.000 2.123 764 M HA -0.149 4.339 4.480 0.014 0.000 0.263 764 M C 2.263 178.472 176.300 -0.153 0.000 1.069 764 M CA 1.566 56.789 55.300 -0.127 0.000 1.133 764 M CB -0.121 32.418 32.600 -0.101 0.000 1.356 764 M HN -0.062 nan 8.290 nan 0.000 0.415 765 K N 0.566 120.836 120.400 -0.217 0.000 2.063 765 K HA -0.225 4.104 4.320 0.014 0.000 0.208 765 K C 2.055 178.578 176.600 -0.130 0.000 1.048 765 K CA 1.580 57.729 56.287 -0.230 0.000 0.928 765 K CB 0.010 32.269 32.500 -0.401 0.000 0.713 765 K HN 0.143 nan 8.250 nan 0.000 0.442 766 K N 0.529 120.871 120.400 -0.096 0.000 2.031 766 K HA -0.108 4.221 4.320 0.014 0.000 0.205 766 K C 1.477 178.059 176.600 -0.029 0.000 1.049 766 K CA 1.497 57.753 56.287 -0.052 0.000 0.939 766 K CB 0.158 32.637 32.500 -0.036 0.000 0.717 766 K HN 0.145 nan 8.250 nan 0.000 0.438 767 E N 0.447 120.646 120.200 -0.003 0.000 2.502 767 E HA -0.009 4.350 4.350 0.014 0.000 0.194 767 E C -0.448 176.122 176.600 -0.050 0.000 1.062 767 E CA -0.164 56.242 56.400 0.009 0.000 0.867 767 E CB 0.194 29.962 29.700 0.113 0.000 0.888 767 E HN 0.257 nan 8.360 nan 0.000 0.510 768 N N 0.957 119.607 118.700 -0.084 0.000 2.696 768 N HA -0.223 4.526 4.740 0.014 0.000 0.256 768 N C 0.424 175.841 175.510 -0.154 0.000 1.031 768 N CA 0.272 53.263 53.050 -0.098 0.000 0.730 768 N CB -1.088 37.365 38.487 -0.056 0.000 0.894 768 N HN 0.312 nan 8.380 nan 0.000 0.544 769 L N -0.887 120.166 121.223 -0.284 0.000 2.046 769 L HA -0.028 4.320 4.340 0.014 0.000 0.208 769 L C 1.321 177.997 176.870 -0.322 0.000 1.077 769 L CA 1.409 55.950 54.840 -0.499 0.000 0.747 769 L CB 0.055 41.573 42.059 -0.901 0.000 0.896 769 L HN 0.528 nan 8.230 nan 0.000 0.432 770 M N -1.679 117.841 119.600 -0.133 0.000 2.569 770 M HA 0.520 5.008 4.480 0.014 0.000 0.279 770 M C -2.779 173.539 176.300 0.032 0.000 1.253 770 M CA -1.799 53.535 55.300 0.057 0.000 0.867 770 M CB 1.729 34.457 32.600 0.213 0.000 1.727 770 M HN -0.324 nan 8.290 nan 0.000 0.467 771 P HA 0.119 nan 4.420 nan 0.000 0.269 771 P C -0.152 177.170 177.300 0.036 0.000 1.215 771 P CA -0.126 62.994 63.100 0.033 0.000 0.780 771 P CB 0.777 32.498 31.700 0.035 0.000 0.898 772 R N 2.480 122.997 120.500 0.028 0.000 2.103 772 R HA -0.199 4.150 4.340 0.014 0.000 0.242 772 R C 1.866 178.198 176.300 0.053 0.000 1.142 772 R CA 2.107 58.231 56.100 0.040 0.000 0.960 772 R CB -0.978 29.341 30.300 0.032 0.000 0.858 772 R HN 0.555 nan 8.270 nan 0.000 0.439 773 E N -0.522 119.697 120.200 0.032 0.000 2.204 773 E HA -0.170 4.188 4.350 0.014 0.000 0.194 773 E C 1.800 178.403 176.600 0.005 0.000 0.989 773 E CA 1.062 57.471 56.400 0.015 0.000 0.824 773 E CB -0.036 29.663 29.700 -0.000 0.000 0.756 773 E HN 0.516 nan 8.360 nan 0.000 0.477 774 E N 0.609 120.824 120.200 0.025 0.000 2.046 774 E HA -0.180 4.179 4.350 0.014 0.000 0.190 774 E C 2.039 178.674 176.600 0.059 0.000 0.982 774 E CA 0.414 56.834 56.400 0.033 0.000 0.800 774 E CB 0.057 29.792 29.700 0.059 0.000 0.756 774 E HN 0.074 nan 8.360 nan 0.000 0.449 775 L N 0.892 122.176 121.223 0.101 0.000 2.129 775 L HA -0.167 4.181 4.340 0.014 0.000 0.212 775 L C 2.115 179.126 176.870 0.235 0.000 1.087 775 L CA 2.172 57.125 54.840 0.187 0.000 0.757 775 L CB -0.710 41.463 42.059 0.189 0.000 0.896 775 L HN 0.193 nan 8.230 nan 0.000 0.434 776 A N -1.151 121.759 122.820 0.151 0.000 2.014 776 A HA -0.141 4.188 4.320 0.014 0.000 0.218 776 A C 2.426 180.031 177.584 0.034 0.000 1.163 776 A CA 1.267 53.382 52.037 0.130 0.000 0.652 776 A CB -0.410 18.639 19.000 0.082 0.000 0.808 776 A HN 0.450 nan 8.150 nan 0.000 0.449 777 R N -0.868 119.602 120.500 -0.049 0.000 2.119 777 R HA 0.138 4.486 4.340 0.014 0.000 0.222 777 R C 2.042 178.290 176.300 -0.087 0.000 1.088 777 R CA 0.753 56.755 56.100 -0.163 0.000 0.984 777 R CB -0.273 29.781 30.300 -0.410 0.000 0.884 777 R HN 0.539 nan 8.270 nan 0.000 0.447 778 L N -0.249 120.912 121.223 -0.103 0.000 2.027 778 L HA -0.050 4.299 4.340 0.014 0.000 0.206 778 L C -0.127 176.401 176.870 -0.570 0.000 1.074 778 L CA 1.354 55.977 54.840 -0.362 0.000 0.745 778 L CB 0.233 42.062 42.059 -0.383 0.000 0.898 778 L HN 0.076 nan 8.230 nan 0.000 0.433 779 F N -0.609 119.381 119.950 0.067 0.000 2.564 779 F HA 0.336 4.872 4.527 0.014 0.000 0.361 779 F C -1.784 174.039 175.800 0.037 0.000 1.161 779 F CA -2.031 56.014 58.000 0.075 0.000 1.198 779 F CB 0.292 39.273 39.000 -0.033 0.000 1.424 779 F HN -0.109 nan 8.300 nan 0.000 0.517 780 P HA -0.091 nan 4.420 nan 0.000 0.214 780 P C 0.061 177.439 177.300 0.131 0.000 1.162 780 P CA 1.402 64.587 63.100 0.141 0.000 0.874 780 P CB 0.240 32.008 31.700 0.113 0.000 0.784 781 N N -1.310 117.503 118.700 0.187 0.000 2.723 781 N HA 0.095 4.843 4.740 0.014 0.000 0.290 781 N C 0.379 175.879 175.510 -0.016 0.000 1.882 781 N CA -0.353 52.740 53.050 0.071 0.000 0.851 781 N CB -0.398 38.137 38.487 0.080 0.000 1.234 781 N HN -0.139 nan 8.380 nan 0.000 0.491 782 L N 1.121 122.290 121.223 -0.090 0.000 2.023 782 L HA 0.233 4.581 4.340 0.014 0.000 0.205 782 L C -0.881 175.893 176.870 -0.160 0.000 1.073 782 L CA 1.778 56.503 54.840 -0.193 0.000 0.745 782 L CB -1.177 40.697 42.059 -0.309 0.000 0.900 782 L HN 0.159 nan 8.230 nan 0.000 0.435 783 P HA -0.122 nan 4.420 nan 0.000 0.218 783 P C 1.187 178.458 177.300 -0.049 0.000 1.149 783 P CA 1.086 64.146 63.100 -0.067 0.000 0.817 783 P CB 0.131 31.811 31.700 -0.033 0.000 0.785 784 E N -0.521 119.651 120.200 -0.048 0.000 2.031 784 E HA -0.172 4.186 4.350 0.014 0.000 0.193 784 E C 1.868 178.440 176.600 -0.046 0.000 0.994 784 E CA 0.885 57.263 56.400 -0.037 0.000 0.800 784 E CB -1.228 28.458 29.700 -0.022 0.000 0.752 784 E HN 0.081 nan 8.360 nan 0.000 0.447 785 L N 0.715 121.892 121.223 -0.077 0.000 2.012 785 L HA -0.176 4.173 4.340 0.014 0.000 0.210 785 L C 2.031 178.911 176.870 0.017 0.000 1.073 785 L CA 1.638 56.435 54.840 -0.071 0.000 0.748 785 L CB -0.410 41.498 42.059 -0.252 0.000 0.891 785 L HN 0.189 nan 8.230 nan 0.000 0.431 786 I N -0.732 119.824 120.570 -0.024 0.000 2.163 786 I HA -0.298 3.880 4.170 0.014 0.000 0.243 786 I C 2.474 178.616 176.117 0.041 0.000 1.085 786 I CA 1.484 62.796 61.300 0.020 0.000 1.347 786 I CB -0.440 37.546 38.000 -0.023 0.000 1.044 786 I HN 0.333 nan 8.210 nan 0.000 0.408 787 E N 1.710 121.913 120.200 0.005 0.000 2.130 787 E HA -0.226 4.132 4.350 0.014 0.000 0.196 787 E C 2.011 178.606 176.600 -0.007 0.000 0.998 787 E CA 1.648 58.048 56.400 -0.001 0.000 0.806 787 E CB -0.344 29.346 29.700 -0.016 0.000 0.738 787 E HN 0.482 nan 8.360 nan 0.000 0.459 788 I N 0.076 120.625 120.570 -0.036 0.000 2.142 788 I HA -0.290 3.888 4.170 0.014 0.000 0.240 788 I C 2.384 178.432 176.117 -0.115 0.000 1.078 788 I CA 1.574 62.801 61.300 -0.121 0.000 1.343 788 I CB -0.416 37.462 38.000 -0.204 0.000 1.046 788 I HN 0.295 nan 8.210 nan 0.000 0.405 789 H N -0.414 118.698 119.070 0.070 0.000 2.436 789 H HA -0.075 4.490 4.556 0.014 0.000 0.294 789 H C 1.911 177.320 175.328 0.135 0.000 1.048 789 H CA 1.215 57.359 56.048 0.161 0.000 1.353 789 H CB -0.279 29.617 29.762 0.224 0.000 1.414 789 H HN 0.324 nan 8.280 nan 0.000 0.536 790 N N 1.183 119.988 118.700 0.175 0.000 2.166 790 N HA -0.159 4.590 4.740 0.014 0.000 0.186 790 N C 2.098 177.650 175.510 0.070 0.000 1.019 790 N CA 1.794 54.902 53.050 0.097 0.000 0.856 790 N CB -0.071 38.450 38.487 0.057 0.000 0.993 790 N HN 0.265 nan 8.380 nan 0.000 0.426 791 S N -1.620 114.117 115.700 0.061 0.000 2.383 791 S HA -0.127 4.351 4.470 0.014 0.000 0.227 791 S C 1.910 176.569 174.600 0.099 0.000 1.026 791 S CA 0.719 58.946 58.200 0.045 0.000 0.981 791 S CB -0.930 62.275 63.200 0.009 0.000 0.818 791 S HN 0.541 nan 8.310 nan 0.000 0.472 792 W N 1.440 122.666 121.300 -0.122 0.000 2.518 792 W HA 0.192 4.861 4.660 0.014 0.000 0.273 792 W C 2.342 178.760 176.519 -0.168 0.000 1.247 792 W CA -0.786 56.456 57.345 -0.171 0.000 1.288 792 W CB -0.944 28.386 29.460 -0.217 0.000 1.107 792 W HN 0.351 nan 8.180 nan 0.000 0.586 793 C N 0.279 119.551 119.300 -0.047 0.000 2.440 793 C HA -0.129 4.340 4.460 0.014 0.000 0.278 793 C C 2.598 177.478 174.990 -0.185 0.000 1.295 793 C CA 1.072 59.977 59.018 -0.188 0.000 1.738 793 C CB -0.902 26.803 27.740 -0.058 0.000 1.987 793 C HN 0.232 nan 8.230 nan 0.000 0.492 794 E N 1.093 121.240 120.200 -0.088 0.000 2.047 794 E HA -0.119 4.239 4.350 0.014 0.000 0.191 794 E C 2.430 178.976 176.600 -0.090 0.000 0.987 794 E CA 1.460 57.822 56.400 -0.063 0.000 0.799 794 E CB -0.792 28.894 29.700 -0.022 0.000 0.752 794 E HN 0.614 nan 8.360 nan 0.000 0.449 795 A N 1.082 123.845 122.820 -0.096 0.000 1.958 795 A HA -0.234 4.094 4.320 0.014 0.000 0.221 795 A C 2.294 179.750 177.584 -0.214 0.000 1.178 795 A CA 2.040 54.012 52.037 -0.109 0.000 0.642 795 A CB -0.545 18.432 19.000 -0.039 0.000 0.816 795 A HN 0.189 nan 8.150 nan 0.000 0.453 796 M N -1.313 118.038 119.600 -0.415 0.000 2.098 796 M HA -0.101 4.388 4.480 0.014 0.000 0.262 796 M C 2.177 178.364 176.300 -0.189 0.000 1.072 796 M CA 1.661 56.595 55.300 -0.610 0.000 1.133 796 M CB -0.244 31.598 32.600 -1.263 0.000 1.344 796 M HN 0.291 nan 8.290 nan 0.000 0.414 797 K N 0.098 120.417 120.400 -0.134 0.000 2.160 797 K HA -0.188 4.141 4.320 0.014 0.000 0.206 797 K C 1.982 178.601 176.600 0.032 0.000 1.047 797 K CA 1.270 57.557 56.287 -0.000 0.000 0.930 797 K CB -0.117 32.375 32.500 -0.014 0.000 0.720 797 K HN 0.268 nan 8.250 nan 0.000 0.450 798 K N 0.490 120.890 120.400 0.000 0.000 2.026 798 K HA -0.118 4.210 4.320 0.014 0.000 0.208 798 K C 1.968 178.592 176.600 0.041 0.000 1.048 798 K CA 0.820 57.116 56.287 0.014 0.000 0.929 798 K CB -0.115 32.383 32.500 -0.003 0.000 0.713 798 K HN 0.049 nan 8.250 nan 0.000 0.439 799 L N 1.364 122.624 121.223 0.061 0.000 2.129 799 L HA -0.203 4.145 4.340 0.014 0.000 0.212 799 L C 2.339 179.270 176.870 0.102 0.000 1.087 799 L CA 1.658 56.554 54.840 0.094 0.000 0.757 799 L CB -0.801 41.351 42.059 0.155 0.000 0.896 799 L HN 0.148 nan 8.230 nan 0.000 0.434 800 R N 0.276 120.858 120.500 0.136 0.000 2.093 800 R HA -0.128 4.221 4.340 0.014 0.000 0.224 800 R C 2.015 178.356 176.300 0.068 0.000 1.101 800 R CA 1.336 57.500 56.100 0.107 0.000 0.979 800 R CB -0.382 30.004 30.300 0.143 0.000 0.877 800 R HN 0.352 nan 8.270 nan 0.000 0.441 801 E N 0.726 120.961 120.200 0.057 0.000 2.136 801 E HA -0.247 4.111 4.350 0.014 0.000 0.202 801 E C 0.643 177.263 176.600 0.033 0.000 1.019 801 E CA 1.809 58.232 56.400 0.038 0.000 0.819 801 E CB -0.133 29.585 29.700 0.029 0.000 0.739 801 E HN 0.699 nan 8.360 nan 0.000 0.458 802 E N -0.073 120.147 120.200 0.034 0.000 2.301 802 E HA 0.188 4.546 4.350 0.014 0.000 0.195 802 E C 0.171 176.789 176.600 0.031 0.000 1.171 802 E CA 0.195 56.612 56.400 0.028 0.000 1.142 802 E CB 0.054 29.769 29.700 0.025 0.000 1.218 802 E HN 0.182 nan 8.360 nan 0.000 0.448 803 G N 1.839 110.661 108.800 0.036 0.000 2.525 803 G HA2 -0.137 3.831 3.960 0.014 0.000 0.685 803 G HA3 -0.137 3.831 3.960 0.014 0.000 0.685 803 G C -2.379 172.557 174.900 0.061 0.000 1.285 803 G CA -0.465 44.660 45.100 0.041 0.000 0.849 803 G HN -0.024 nan 8.290 nan 0.000 0.653 804 P HA 0.025 nan 4.420 nan 0.000 0.218 804 P C 1.091 178.551 177.300 0.267 0.000 1.149 804 P CA 0.872 64.055 63.100 0.138 0.000 0.817 804 P CB 0.211 31.950 31.700 0.065 0.000 0.785 805 I N 0.398 121.093 120.570 0.208 0.000 2.371 805 I HA 0.123 4.301 4.170 0.014 0.000 0.290 805 I C 0.452 176.579 176.117 0.017 0.000 1.028 805 I CA -0.809 60.585 61.300 0.156 0.000 1.345 805 I CB 0.552 38.632 38.000 0.134 0.000 1.407 805 I HN -0.257 nan 8.210 nan 0.000 0.501 806 I N 7.400 127.915 120.570 -0.092 0.000 2.331 806 I HA 0.219 4.397 4.170 0.014 0.000 0.292 806 I C 0.580 176.645 176.117 -0.085 0.000 0.998 806 I CA 0.027 61.262 61.300 -0.108 0.000 1.267 806 I CB 1.110 38.973 38.000 -0.229 0.000 1.386 806 I HN 0.501 nan 8.210 nan 0.000 0.476 807 K N 3.488 123.866 120.400 -0.037 0.000 3.551 807 K HA 0.304 4.632 4.320 0.014 0.000 0.224 807 K C -0.141 176.450 176.600 -0.015 0.000 1.133 807 K CA -0.261 56.013 56.287 -0.023 0.000 1.644 807 K CB -0.050 32.447 32.500 -0.004 0.000 2.278 807 K HN 0.486 nan 8.250 nan 0.000 0.616 808 E N 0.544 120.746 120.200 0.004 0.000 2.437 808 E HA -0.017 4.341 4.350 0.014 0.000 0.263 808 E C 0.321 176.938 176.600 0.027 0.000 1.030 808 E CA 0.430 56.840 56.400 0.016 0.000 0.934 808 E CB 0.509 30.222 29.700 0.022 0.000 0.943 808 E HN 0.337 nan 8.360 nan 0.000 0.444 809 I N 0.983 121.578 120.570 0.042 0.000 4.670 809 I HA -0.052 4.126 4.170 0.014 0.000 0.339 809 I C 1.236 177.405 176.117 0.087 0.000 1.310 809 I CA 0.234 61.576 61.300 0.070 0.000 1.288 809 I CB 0.449 38.494 38.000 0.074 0.000 1.427 809 I HN 0.407 nan 8.210 nan 0.000 0.494 810 S N 1.149 116.889 115.700 0.067 0.000 2.365 810 S HA -0.218 4.261 4.470 0.014 0.000 0.225 810 S C 1.315 175.953 174.600 0.064 0.000 1.039 810 S CA 2.161 60.400 58.200 0.066 0.000 1.033 810 S CB -0.211 63.016 63.200 0.045 0.000 0.887 810 S HN 0.499 nan 8.310 nan 0.000 0.447 811 D N 1.187 121.618 120.400 0.052 0.000 2.104 811 D HA -0.059 4.589 4.640 0.014 0.000 0.194 811 D C 1.910 178.244 176.300 0.057 0.000 0.994 811 D CA 0.604 54.630 54.000 0.042 0.000 0.830 811 D CB -0.513 40.307 40.800 0.032 0.000 0.959 811 D HN 0.248 nan 8.370 nan 0.000 0.452 812 L N 0.091 121.365 121.223 0.085 0.000 2.042 812 L HA -0.203 4.146 4.340 0.014 0.000 0.210 812 L C 2.208 179.218 176.870 0.233 0.000 1.076 812 L CA 0.964 55.886 54.840 0.138 0.000 0.749 812 L CB -0.107 42.008 42.059 0.094 0.000 0.893 812 L HN 0.078 nan 8.230 nan 0.000 0.432 813 M N -0.607 119.106 119.600 0.189 0.000 2.077 813 M HA -0.210 4.279 4.480 0.014 0.000 0.261 813 M C 2.309 178.590 176.300 -0.031 0.000 1.070 813 M CA 1.699 57.100 55.300 0.167 0.000 1.125 813 M CB -1.266 31.484 32.600 0.251 0.000 1.339 813 M HN 0.225 nan 8.290 nan 0.000 0.409 814 L N -0.006 121.228 121.223 0.018 0.000 2.261 814 L HA -0.156 4.192 4.340 0.014 0.000 0.216 814 L C 2.515 179.319 176.870 -0.110 0.000 1.114 814 L CA 0.781 55.605 54.840 -0.026 0.000 0.777 814 L CB -1.002 41.057 42.059 -0.001 0.000 0.910 814 L HN 0.278 nan 8.230 nan 0.000 0.440 815 A N -0.681 122.073 122.820 -0.110 0.000 2.121 815 A HA -0.138 4.191 4.320 0.014 0.000 0.218 815 A C 2.426 179.797 177.584 -0.356 0.000 1.154 815 A CA 1.246 53.198 52.037 -0.142 0.000 0.679 815 A CB -0.204 18.788 19.000 -0.014 0.000 0.795 815 A HN 0.224 nan 8.150 nan 0.000 0.458 816 R N -2.335 117.768 120.500 -0.663 0.000 2.276 816 R HA 0.261 4.609 4.340 0.014 0.000 0.195 816 R C 0.181 175.984 176.300 -0.828 0.000 0.908 816 R CA 0.569 55.984 56.100 -1.141 0.000 1.083 816 R CB -0.159 28.653 30.300 -2.480 0.000 1.182 816 R HN 0.449 nan 8.270 nan 0.000 0.608 817 F N -0.025 119.700 119.950 -0.374 0.000 2.653 817 F HA 0.348 4.883 4.527 0.015 0.000 0.304 817 F C -0.197 175.494 175.800 -0.181 0.000 1.092 817 F CA -1.169 56.663 58.000 -0.280 0.000 1.279 817 F CB 0.259 39.101 39.000 -0.263 0.000 1.044 817 F HN -0.179 nan 8.300 nan 0.000 0.564 818 D N -0.983 119.396 120.400 -0.036 0.000 2.619 818 D HA 0.521 5.169 4.640 0.014 0.000 0.241 818 D C 0.740 177.004 176.300 -0.061 0.000 1.087 818 D CA 0.637 54.617 54.000 -0.034 0.000 0.851 818 D CB 1.581 42.368 40.800 -0.023 0.000 1.474 818 D HN 0.210 nan 8.370 nan 0.000 0.478 819 G N 3.723 112.491 108.800 -0.052 0.000 2.665 819 G HA2 -0.316 3.652 3.960 0.014 0.000 0.326 819 G HA3 -0.316 3.652 3.960 0.014 0.000 0.326 819 G C -1.246 173.611 174.900 -0.072 0.000 1.231 819 G CA 0.398 45.464 45.100 -0.056 0.000 0.992 819 G HN 0.582 nan 8.290 nan 0.000 0.549 820 P HA 0.152 nan 4.420 nan 0.000 0.219 820 P C 2.146 179.386 177.300 -0.100 0.000 1.150 820 P CA 2.828 65.882 63.100 -0.077 0.000 0.814 820 P CB -0.306 31.355 31.700 -0.065 0.000 0.787 821 A N 0.024 122.772 122.820 -0.121 0.000 1.929 821 A HA -0.175 4.153 4.320 0.014 0.000 0.216 821 A C 2.404 179.886 177.584 -0.169 0.000 1.176 821 A CA 1.298 53.234 52.037 -0.169 0.000 0.628 821 A CB -1.070 17.793 19.000 -0.227 0.000 0.816 821 A HN 0.027 nan 8.150 nan 0.000 0.444 822 R N -0.215 120.207 120.500 -0.130 0.000 2.083 822 R HA -0.168 4.181 4.340 0.014 0.000 0.237 822 R C 1.855 178.070 176.300 -0.142 0.000 1.137 822 R CA 1.756 57.792 56.100 -0.106 0.000 0.951 822 R CB -0.285 29.967 30.300 -0.080 0.000 0.851 822 R HN 0.461 nan 8.270 nan 0.000 0.434 823 E N 0.695 120.809 120.200 -0.143 0.000 2.058 823 E HA -0.243 4.116 4.350 0.014 0.000 0.194 823 E C 1.828 178.344 176.600 -0.140 0.000 0.997 823 E CA 1.300 57.602 56.400 -0.164 0.000 0.801 823 E CB -0.240 29.386 29.700 -0.122 0.000 0.746 823 E HN 0.526 nan 8.360 nan 0.000 0.450 824 E N 0.350 120.480 120.200 -0.116 0.000 2.058 824 E HA -0.213 4.146 4.350 0.014 0.000 0.194 824 E C 2.200 178.743 176.600 -0.095 0.000 0.997 824 E CA 0.973 57.314 56.400 -0.099 0.000 0.801 824 E CB -0.042 29.592 29.700 -0.110 0.000 0.746 824 E HN 0.059 nan 8.360 nan 0.000 0.450 825 L N 1.362 122.515 121.223 -0.116 0.000 1.988 825 L HA -0.220 4.129 4.340 0.014 0.000 0.207 825 L C 2.626 179.478 176.870 -0.030 0.000 1.071 825 L CA 2.331 57.118 54.840 -0.089 0.000 0.744 825 L CB -0.833 41.165 42.059 -0.102 0.000 0.893 825 L HN 0.219 nan 8.230 nan 0.000 0.433 826 Q N -1.156 118.600 119.800 -0.074 0.000 2.226 826 Q HA -0.279 4.070 4.340 0.014 0.000 0.204 826 Q C 2.102 178.114 176.000 0.021 0.000 0.975 826 Q CA 1.843 57.612 55.803 -0.057 0.000 0.866 826 Q CB -0.467 28.094 28.738 -0.295 0.000 0.915 826 Q HN 0.708 nan 8.270 nan 0.000 0.440 827 Q N 0.500 120.276 119.800 -0.042 0.000 2.020 827 Q HA -0.088 4.260 4.340 0.014 0.000 0.198 827 Q C 2.161 178.225 176.000 0.107 0.000 0.974 827 Q CA 1.751 57.593 55.803 0.065 0.000 0.829 827 Q CB 0.127 28.868 28.738 0.005 0.000 0.894 827 Q HN 0.301 nan 8.270 nan 0.000 0.433 828 V N 0.535 120.486 119.914 0.062 0.000 2.358 828 V HA -0.253 3.875 4.120 0.014 0.000 0.246 828 V C 2.178 178.354 176.094 0.137 0.000 1.047 828 V CA 1.770 64.115 62.300 0.076 0.000 1.035 828 V CB -0.832 31.005 31.823 0.023 0.000 0.658 828 V HN 0.513 nan 8.190 nan 0.000 0.452 829 A N -0.148 122.757 122.820 0.142 0.000 1.902 829 A HA -0.118 4.210 4.320 0.014 0.000 0.217 829 A C 2.423 180.149 177.584 0.236 0.000 1.181 829 A CA 2.031 54.194 52.037 0.210 0.000 0.623 829 A CB -0.767 18.346 19.000 0.188 0.000 0.818 829 A HN 0.570 nan 8.150 nan 0.000 0.443 830 A N -0.757 122.195 122.820 0.219 0.000 1.883 830 A HA -0.254 4.074 4.320 0.014 0.000 0.217 830 A C 2.217 179.889 177.584 0.147 0.000 1.186 830 A CA 1.915 54.067 52.037 0.193 0.000 0.624 830 A CB -0.633 18.531 19.000 0.273 0.000 0.822 830 A HN 0.667 nan 8.150 nan 0.000 0.444 831 Q N -1.938 117.959 119.800 0.161 0.000 2.084 831 Q HA -0.184 4.165 4.340 0.014 0.000 0.202 831 Q C 1.861 177.955 176.000 0.156 0.000 0.978 831 Q CA 1.773 57.655 55.803 0.132 0.000 0.844 831 Q CB -0.253 28.558 28.738 0.122 0.000 0.898 831 Q HN 0.638 nan 8.270 nan 0.000 0.426 832 F N -0.109 119.876 119.950 0.058 0.000 2.186 832 F HA -0.179 4.357 4.527 0.014 0.000 0.299 832 F C 1.888 177.713 175.800 0.043 0.000 1.090 832 F CA 1.117 59.150 58.000 0.055 0.000 1.307 832 F CB -0.214 38.831 39.000 0.074 0.000 1.019 832 F HN 0.186 nan 8.300 nan 0.000 0.489 833 C N -0.969 118.358 119.300 0.045 0.000 2.634 833 C HA 0.070 4.539 4.460 0.014 0.000 0.268 833 C C 2.871 177.816 174.990 -0.075 0.000 1.322 833 C CA 0.734 59.720 59.018 -0.053 0.000 1.737 833 C CB -1.185 26.595 27.740 0.066 0.000 1.976 833 C HN 0.471 nan 8.230 nan 0.000 0.547 834 S N 0.319 116.005 115.700 -0.024 0.000 2.354 834 S HA -0.224 4.254 4.470 0.014 0.000 0.219 834 S C 1.569 176.154 174.600 -0.025 0.000 1.035 834 S CA 1.630 59.822 58.200 -0.012 0.000 1.037 834 S CB -0.503 62.715 63.200 0.030 0.000 0.956 834 S HN 0.721 nan 8.310 nan 0.000 0.428 835 Y N 1.936 122.143 120.300 -0.155 0.000 2.561 835 Y HA 0.055 4.614 4.550 0.014 0.000 0.291 835 Y C 2.444 178.201 175.900 -0.239 0.000 1.141 835 Y CA 0.744 58.731 58.100 -0.189 0.000 1.303 835 Y CB -0.323 38.036 38.460 -0.168 0.000 1.015 835 Y HN 0.313 nan 8.280 nan 0.000 0.547 836 Q N -0.025 119.651 119.800 -0.207 0.000 2.118 836 Q HA -0.302 4.046 4.340 0.014 0.000 0.211 836 Q C 2.421 178.242 176.000 -0.298 0.000 0.998 836 Q CA 2.868 58.498 55.803 -0.288 0.000 0.872 836 Q CB -0.247 28.298 28.738 -0.322 0.000 0.925 836 Q HN 0.591 nan 8.270 nan 0.000 0.414 837 S N -0.529 114.999 115.700 -0.287 0.000 2.382 837 S HA -0.169 4.310 4.470 0.014 0.000 0.228 837 S C 1.787 176.174 174.600 -0.354 0.000 1.027 837 S CA 1.307 59.346 58.200 -0.268 0.000 0.991 837 S CB -0.440 62.629 63.200 -0.218 0.000 0.823 837 S HN 0.396 nan 8.310 nan 0.000 0.469 838 I N 2.708 122.939 120.570 -0.565 0.000 2.202 838 I HA 0.010 4.189 4.170 0.014 0.000 0.242 838 I C 2.989 178.789 176.117 -0.528 0.000 1.091 838 I CA 1.221 62.075 61.300 -0.744 0.000 1.368 838 I CB -0.733 36.395 38.000 -1.453 0.000 1.058 838 I HN 0.397 nan 8.210 nan 0.000 0.410 839 A N 0.388 122.936 122.820 -0.454 0.000 1.930 839 A HA -0.109 4.219 4.320 0.014 0.000 0.217 839 A C 2.300 179.774 177.584 -0.184 0.000 1.175 839 A CA 1.347 53.276 52.037 -0.181 0.000 0.627 839 A CB -0.891 18.067 19.000 -0.071 0.000 0.815 839 A HN 0.392 nan 8.150 nan 0.000 0.443 840 L N -0.898 120.195 121.223 -0.215 0.000 2.093 840 L HA -0.131 4.217 4.340 0.014 0.000 0.208 840 L C 2.617 179.403 176.870 -0.140 0.000 1.085 840 L CA 1.207 55.947 54.840 -0.167 0.000 0.755 840 L CB -0.408 41.553 42.059 -0.163 0.000 0.904 840 L HN 0.294 nan 8.230 nan 0.000 0.435 841 E N 0.040 120.141 120.200 -0.165 0.000 2.208 841 E HA -0.149 4.210 4.350 0.014 0.000 0.193 841 E C 2.118 178.641 176.600 -0.129 0.000 0.988 841 E CA 0.674 56.992 56.400 -0.137 0.000 0.828 841 E CB 0.015 29.626 29.700 -0.147 0.000 0.763 841 E HN 0.244 nan 8.360 nan 0.000 0.478 842 L N 0.450 121.587 121.223 -0.143 0.000 2.005 842 L HA -0.126 4.223 4.340 0.014 0.000 0.207 842 L C 2.213 178.981 176.870 -0.169 0.000 1.072 842 L CA 1.176 55.938 54.840 -0.130 0.000 0.744 842 L CB -0.807 41.196 42.059 -0.093 0.000 0.895 842 L HN 0.099 nan 8.230 nan 0.000 0.433 843 I N 0.316 120.801 120.570 -0.142 0.000 2.286 843 I HA -0.283 3.896 4.170 0.014 0.000 0.248 843 I C 2.617 178.665 176.117 -0.115 0.000 1.115 843 I CA 1.224 62.443 61.300 -0.135 0.000 1.392 843 I CB -0.502 37.492 38.000 -0.010 0.000 1.065 843 I HN 0.247 nan 8.210 nan 0.000 0.418 844 K N -0.083 120.267 120.400 -0.084 0.000 2.026 844 K HA -0.193 4.136 4.320 0.014 0.000 0.208 844 K C 2.046 178.601 176.600 -0.075 0.000 1.048 844 K CA 2.025 58.279 56.287 -0.056 0.000 0.929 844 K CB -0.216 32.253 32.500 -0.051 0.000 0.713 844 K HN 0.279 nan 8.250 nan 0.000 0.439 845 T N 1.102 115.593 114.554 -0.104 0.000 2.684 845 T HA -0.156 4.202 4.350 0.014 0.000 0.267 845 T C 1.792 176.399 174.700 -0.154 0.000 1.036 845 T CA 1.728 63.763 62.100 -0.108 0.000 1.148 845 T CB -0.146 68.659 68.868 -0.106 0.000 0.863 845 T HN 0.273 nan 8.240 nan 0.000 0.436 846 K N 0.677 120.909 120.400 -0.279 0.000 2.147 846 K HA -0.074 4.255 4.320 0.014 0.000 0.205 846 K C 2.574 179.006 176.600 -0.280 0.000 1.049 846 K CA 1.064 57.065 56.287 -0.477 0.000 0.936 846 K CB -0.046 31.772 32.500 -1.137 0.000 0.722 846 K HN 0.398 nan 8.250 nan 0.000 0.446 847 Q N -0.302 119.422 119.800 -0.126 0.000 2.050 847 Q HA -0.151 4.198 4.340 0.014 0.000 0.202 847 Q C 2.099 178.121 176.000 0.037 0.000 0.980 847 Q CA 1.458 57.288 55.803 0.045 0.000 0.840 847 Q CB -0.002 28.784 28.738 0.080 0.000 0.898 847 Q HN 0.253 nan 8.270 nan 0.000 0.424 848 R N 0.538 121.037 120.500 -0.002 0.000 2.073 848 R HA -0.119 4.229 4.340 0.014 0.000 0.234 848 R C 2.241 178.547 176.300 0.009 0.000 1.134 848 R CA 1.316 57.419 56.100 0.006 0.000 0.952 848 R CB -0.082 30.212 30.300 -0.009 0.000 0.850 848 R HN 0.156 nan 8.270 nan 0.000 0.433 849 K N 0.527 120.920 120.400 -0.012 0.000 2.021 849 K HA -0.032 4.296 4.320 0.014 0.000 0.205 849 K C 0.389 177.007 176.600 0.029 0.000 1.047 849 K CA 0.860 57.146 56.287 -0.002 0.000 0.943 849 K CB 0.108 32.592 32.500 -0.026 0.000 0.725 849 K HN 0.211 nan 8.250 nan 0.000 0.439 850 E N 0.988 121.217 120.200 0.048 0.000 2.174 850 E HA 0.035 4.394 4.350 0.014 0.000 0.282 850 E C 0.577 177.266 176.600 0.149 0.000 0.992 850 E CA -0.276 56.192 56.400 0.114 0.000 0.803 850 E CB 1.629 31.444 29.700 0.191 0.000 1.090 850 E HN 0.167 nan 8.360 nan 0.000 0.396 851 S N 3.909 119.680 115.700 0.118 0.000 2.423 851 S HA -0.223 4.256 4.470 0.014 0.000 0.231 851 S C 1.876 176.559 174.600 0.137 0.000 1.014 851 S CA 0.704 58.970 58.200 0.111 0.000 0.965 851 S CB -0.033 63.213 63.200 0.077 0.000 0.785 851 S HN 0.555 nan 8.310 nan 0.000 0.495 852 R N 0.108 120.699 120.500 0.151 0.000 2.073 852 R HA -0.070 4.278 4.340 0.014 0.000 0.234 852 R C 1.812 178.191 176.300 0.130 0.000 1.134 852 R CA 1.724 57.897 56.100 0.121 0.000 0.952 852 R CB -0.502 29.857 30.300 0.098 0.000 0.850 852 R HN 0.475 nan 8.270 nan 0.000 0.433 853 F N 0.917 120.911 119.950 0.074 0.000 2.206 853 F HA -0.100 4.436 4.527 0.014 0.000 0.298 853 F C 2.711 178.600 175.800 0.148 0.000 1.090 853 F CA 1.386 59.439 58.000 0.089 0.000 1.323 853 F CB -0.300 38.727 39.000 0.045 0.000 1.028 853 F HN 0.153 nan 8.300 nan 0.000 0.492 854 Q N 0.792 120.774 119.800 0.304 0.000 2.020 854 Q HA -0.194 4.155 4.340 0.014 0.000 0.202 854 Q C 2.182 178.291 176.000 0.181 0.000 0.982 854 Q CA 1.723 57.653 55.803 0.211 0.000 0.838 854 Q CB -0.814 28.012 28.738 0.146 0.000 0.899 854 Q HN 0.486 nan 8.270 nan 0.000 0.423 855 L N -0.442 120.873 121.223 0.153 0.000 2.013 855 L HA -0.175 4.173 4.340 0.014 0.000 0.212 855 L C 2.178 179.118 176.870 0.116 0.000 1.073 855 L CA 1.673 56.579 54.840 0.109 0.000 0.753 855 L CB -0.463 41.648 42.059 0.086 0.000 0.890 855 L HN 0.368 nan 8.230 nan 0.000 0.432 856 F N -0.455 119.498 119.950 0.006 0.000 2.069 856 F HA -0.314 4.222 4.527 0.014 0.000 0.298 856 F C 2.394 178.208 175.800 0.023 0.000 1.113 856 F CA 1.819 59.806 58.000 -0.022 0.000 1.214 856 F CB -0.179 38.767 39.000 -0.092 0.000 0.978 856 F HN 0.012 nan 8.300 nan 0.000 0.474 857 M N -0.131 119.723 119.600 0.425 0.000 2.279 857 M HA -0.232 4.257 4.480 0.014 0.000 0.264 857 M C 2.203 178.602 176.300 0.166 0.000 1.062 857 M CA 1.416 56.928 55.300 0.352 0.000 1.099 857 M CB -1.391 31.435 32.600 0.377 0.000 1.394 857 M HN 0.383 nan 8.290 nan 0.000 0.426 858 Q N 0.284 120.150 119.800 0.109 0.000 2.050 858 Q HA -0.167 4.181 4.340 0.014 0.000 0.202 858 Q C 2.042 178.034 176.000 -0.013 0.000 0.980 858 Q CA 1.377 57.213 55.803 0.055 0.000 0.840 858 Q CB 0.151 28.919 28.738 0.049 0.000 0.898 858 Q HN 0.412 nan 8.270 nan 0.000 0.424 859 E N -0.405 119.743 120.200 -0.086 0.000 2.077 859 E HA -0.185 4.173 4.350 0.014 0.000 0.193 859 E C 1.829 178.304 176.600 -0.208 0.000 0.989 859 E CA 1.080 57.385 56.400 -0.159 0.000 0.800 859 E CB -0.077 29.477 29.700 -0.243 0.000 0.746 859 E HN 0.415 nan 8.360 nan 0.000 0.452 860 A N 1.355 123.982 122.820 -0.322 0.000 1.898 860 A HA -0.172 4.156 4.320 0.014 0.000 0.216 860 A C 1.877 179.315 177.584 -0.244 0.000 1.181 860 A CA 1.290 53.048 52.037 -0.465 0.000 0.620 860 A CB -0.352 18.233 19.000 -0.692 0.000 0.819 860 A HN 0.180 nan 8.150 nan 0.000 0.442 861 E N 0.357 120.554 120.200 -0.004 0.000 2.358 861 E HA -0.085 4.274 4.350 0.014 0.000 0.195 861 E C 2.036 178.691 176.600 0.091 0.000 1.010 861 E CA 0.930 57.421 56.400 0.152 0.000 0.856 861 E CB -0.110 29.726 29.700 0.226 0.000 0.795 861 E HN 0.762 nan 8.360 nan 0.000 0.504 862 S N -0.074 115.648 115.700 0.035 0.000 2.489 862 S HA -0.121 4.357 4.470 0.014 0.000 0.228 862 S C 0.752 175.362 174.600 0.016 0.000 0.995 862 S CA -0.009 58.203 58.200 0.020 0.000 0.934 862 S CB -0.365 62.830 63.200 -0.009 0.000 0.771 862 S HN 0.306 nan 8.310 nan 0.000 0.522 863 H N 3.264 122.290 119.070 -0.074 0.000 3.001 863 H HA 0.166 4.730 4.556 0.014 0.000 0.334 863 H C -1.795 173.515 175.328 -0.030 0.000 1.034 863 H CA -0.767 55.237 56.048 -0.075 0.000 1.420 863 H CB 0.792 30.478 29.762 -0.127 0.000 1.405 863 H HN 0.040 nan 8.280 nan 0.000 0.593 864 P HA -0.164 nan 4.420 nan 0.000 0.218 864 P C 1.199 178.563 177.300 0.106 0.000 1.149 864 P CA 1.188 64.261 63.100 -0.045 0.000 0.817 864 P CB 0.219 31.829 31.700 -0.149 0.000 0.785 865 Q N -1.039 118.947 119.800 0.310 0.000 2.226 865 Q HA -0.153 4.196 4.340 0.014 0.000 0.204 865 Q C 1.634 177.731 176.000 0.162 0.000 0.975 865 Q CA 1.469 57.410 55.803 0.230 0.000 0.866 865 Q CB -0.960 27.924 28.738 0.244 0.000 0.915 865 Q HN 0.177 nan 8.270 nan 0.000 0.440 866 C N 0.211 119.623 119.300 0.186 0.000 2.432 866 C HA 0.080 4.548 4.460 0.014 0.000 0.282 866 C C 0.402 175.467 174.990 0.126 0.000 1.388 866 C CA 0.077 59.201 59.018 0.175 0.000 1.777 866 C CB -0.725 27.146 27.740 0.218 0.000 1.882 866 C HN 0.517 nan 8.230 nan 0.000 0.520 867 R N 0.143 120.702 120.500 0.100 0.000 3.336 867 R HA -0.169 4.179 4.340 0.014 0.000 0.260 867 R C -0.228 176.111 176.300 0.066 0.000 1.032 867 R CA 0.493 56.635 56.100 0.069 0.000 0.693 867 R CB -1.864 28.473 30.300 0.062 0.000 1.134 867 R HN 0.692 nan 8.270 nan 0.000 0.433 868 R N -2.069 118.474 120.500 0.072 0.000 3.422 868 R HA -0.183 4.165 4.340 0.014 0.000 0.267 868 R C 0.037 176.383 176.300 0.076 0.000 1.074 868 R CA 1.069 57.209 56.100 0.067 0.000 0.718 868 R CB -1.980 28.348 30.300 0.046 0.000 1.157 868 R HN 0.470 nan 8.270 nan 0.000 0.440 869 L N 0.482 121.765 121.223 0.100 0.000 2.354 869 L HA 0.371 4.720 4.340 0.014 0.000 0.269 869 L C 0.965 177.913 176.870 0.129 0.000 1.005 869 L CA -0.944 53.954 54.840 0.096 0.000 0.819 869 L CB 2.047 44.157 42.059 0.086 0.000 1.311 869 L HN 0.063 nan 8.230 nan 0.000 0.423 870 Q N 0.771 120.631 119.800 0.101 0.000 2.318 870 Q HA 0.224 4.573 4.340 0.014 0.000 0.222 870 Q C 1.005 177.034 176.000 0.049 0.000 1.003 870 Q CA -0.442 55.429 55.803 0.114 0.000 0.936 870 Q CB 1.550 30.337 28.738 0.081 0.000 1.204 870 Q HN 0.553 nan 8.270 nan 0.000 0.524 871 L N 1.019 122.233 121.223 -0.015 0.000 1.990 871 L HA -0.282 4.067 4.340 0.014 0.000 0.213 871 L C 2.473 179.255 176.870 -0.147 0.000 1.072 871 L CA 1.803 56.479 54.840 -0.274 0.000 0.755 871 L CB -0.209 41.647 42.059 -0.339 0.000 0.889 871 L HN 0.661 nan 8.230 nan 0.000 0.432 872 R N -0.986 119.469 120.500 -0.075 0.000 2.127 872 R HA -0.199 4.149 4.340 0.014 0.000 0.238 872 R C 1.664 177.943 176.300 -0.034 0.000 1.134 872 R CA 1.695 57.759 56.100 -0.060 0.000 0.975 872 R CB -0.785 29.489 30.300 -0.044 0.000 0.865 872 R HN 0.354 nan 8.270 nan 0.000 0.447 873 D N 0.919 121.311 120.400 -0.014 0.000 2.144 873 D HA -0.031 4.617 4.640 0.014 0.000 0.200 873 D C 1.972 178.278 176.300 0.011 0.000 0.978 873 D CA 0.996 55.000 54.000 0.007 0.000 0.833 873 D CB 0.059 40.873 40.800 0.025 0.000 0.961 873 D HN 0.240 nan 8.370 nan 0.000 0.470 874 L N 0.025 121.246 121.223 -0.004 0.000 2.162 874 L HA 0.093 4.442 4.340 0.014 0.000 0.205 874 L C 2.448 179.337 176.870 0.032 0.000 1.086 874 L CA 0.285 55.131 54.840 0.010 0.000 0.778 874 L CB 0.032 42.094 42.059 0.004 0.000 0.928 874 L HN -0.050 nan 8.230 nan 0.000 0.446 875 I N -0.126 120.456 120.570 0.018 0.000 2.676 875 I HA -0.226 3.952 4.170 0.014 0.000 0.259 875 I C 2.118 178.293 176.117 0.096 0.000 1.194 875 I CA 0.888 62.240 61.300 0.087 0.000 1.473 875 I CB 0.380 38.377 38.000 -0.006 0.000 1.096 875 I HN 0.180 nan 8.210 nan 0.000 0.443 876 I N -0.261 120.334 120.570 0.043 0.000 3.444 876 I HA -0.140 4.039 4.170 0.014 0.000 0.287 876 I C 2.100 178.271 176.117 0.089 0.000 1.302 876 I CA 0.702 62.029 61.300 0.044 0.000 1.368 876 I CB -0.130 37.871 38.000 0.003 0.000 1.048 876 I HN 0.064 nan 8.210 nan 0.000 0.487 877 S N 0.433 116.204 115.700 0.119 0.000 2.370 877 S HA -0.233 4.245 4.470 0.014 0.000 0.226 877 S C 1.877 176.641 174.600 0.273 0.000 1.033 877 S CA 1.605 59.897 58.200 0.153 0.000 1.011 877 S CB -0.238 63.003 63.200 0.068 0.000 0.852 877 S HN 0.539 nan 8.310 nan 0.000 0.457 878 E N 1.264 121.655 120.200 0.318 0.000 2.038 878 E HA -0.118 4.241 4.350 0.014 0.000 0.195 878 E C 2.071 178.768 176.600 0.161 0.000 1.000 878 E CA 1.131 57.725 56.400 0.324 0.000 0.803 878 E CB -0.271 29.642 29.700 0.355 0.000 0.750 878 E HN 0.180 nan 8.360 nan 0.000 0.448 879 M N 0.394 120.078 119.600 0.140 0.000 2.110 879 M HA -0.257 4.232 4.480 0.014 0.000 0.257 879 M C 2.211 178.517 176.300 0.009 0.000 1.071 879 M CA 1.929 57.268 55.300 0.064 0.000 1.096 879 M CB -1.165 31.463 32.600 0.045 0.000 1.300 879 M HN 0.255 nan 8.290 nan 0.000 0.411 880 Q N -1.363 118.446 119.800 0.015 0.000 2.152 880 Q HA -0.243 4.106 4.340 0.014 0.000 0.206 880 Q C 2.108 178.046 176.000 -0.104 0.000 0.985 880 Q CA 1.714 57.504 55.803 -0.022 0.000 0.863 880 Q CB -0.285 28.459 28.738 0.010 0.000 0.904 880 Q HN 0.309 nan 8.270 nan 0.000 0.422 881 R N 0.416 120.820 120.500 -0.160 0.000 2.073 881 R HA -0.065 4.284 4.340 0.014 0.000 0.229 881 R C 1.969 177.920 176.300 -0.583 0.000 1.120 881 R CA 0.942 56.776 56.100 -0.443 0.000 0.967 881 R CB -0.406 29.468 30.300 -0.710 0.000 0.862 881 R HN 0.163 nan 8.270 nan 0.000 0.436 882 L N 0.252 121.307 121.223 -0.280 0.000 2.131 882 L HA -0.126 4.222 4.340 0.014 0.000 0.210 882 L C 2.126 178.918 176.870 -0.131 0.000 1.092 882 L CA 2.296 57.052 54.840 -0.141 0.000 0.759 882 L CB -1.355 40.717 42.059 0.021 0.000 0.903 882 L HN 0.368 nan 8.230 nan 0.000 0.435 883 T N -1.795 112.686 114.554 -0.122 0.000 3.067 883 T HA -0.118 4.241 4.350 0.014 0.000 0.261 883 T C 1.869 176.515 174.700 -0.089 0.000 1.110 883 T CA 0.859 62.912 62.100 -0.077 0.000 1.113 883 T CB 0.300 69.141 68.868 -0.045 0.000 0.917 883 T HN 0.126 nan 8.240 nan 0.000 0.499 884 K N -0.500 119.806 120.400 -0.158 0.000 2.137 884 K HA 0.039 4.367 4.320 0.014 0.000 0.202 884 K C 1.632 178.207 176.600 -0.042 0.000 1.052 884 K CA 1.008 57.226 56.287 -0.114 0.000 0.961 884 K CB -0.458 31.960 32.500 -0.137 0.000 0.741 884 K HN 0.303 nan 8.250 nan 0.000 0.452 885 Y N 0.791 121.081 120.300 -0.017 0.000 2.062 885 Y HA -0.187 4.372 4.550 0.014 0.000 0.276 885 Y C -0.782 175.065 175.900 -0.089 0.000 1.189 885 Y CA 1.403 59.475 58.100 -0.047 0.000 1.130 885 Y CB -1.905 36.439 38.460 -0.194 0.000 0.959 885 Y HN 0.224 nan 8.280 nan 0.000 0.499 886 P HA -0.138 nan 4.420 nan 0.000 0.218 886 P C 1.627 178.931 177.300 0.006 0.000 1.148 886 P CA 1.320 64.408 63.100 -0.020 0.000 0.822 886 P CB -0.054 31.622 31.700 -0.040 0.000 0.784 887 L N -1.958 119.277 121.223 0.020 0.000 2.109 887 L HA -0.110 4.239 4.340 0.014 0.000 0.207 887 L C 2.200 179.100 176.870 0.049 0.000 1.086 887 L CA 1.441 56.295 54.840 0.024 0.000 0.760 887 L CB -1.393 40.677 42.059 0.017 0.000 0.910 887 L HN -0.076 nan 8.230 nan 0.000 0.437 888 L N -1.128 120.149 121.223 0.090 0.000 2.027 888 L HA -0.165 4.183 4.340 0.014 0.000 0.206 888 L C 2.328 179.264 176.870 0.111 0.000 1.074 888 L CA 1.650 56.565 54.840 0.125 0.000 0.745 888 L CB -0.820 41.366 42.059 0.212 0.000 0.898 888 L HN 0.160 nan 8.230 nan 0.000 0.433 889 L N -1.126 120.158 121.223 0.102 0.000 2.046 889 L HA -0.237 4.112 4.340 0.014 0.000 0.208 889 L C 2.508 179.395 176.870 0.027 0.000 1.077 889 L CA 1.117 55.999 54.840 0.070 0.000 0.747 889 L CB -0.369 41.712 42.059 0.038 0.000 0.896 889 L HN 0.266 nan 8.230 nan 0.000 0.432 890 E N -0.343 119.863 120.200 0.010 0.000 2.097 890 E HA -0.250 4.108 4.350 0.014 0.000 0.196 890 E C 2.342 178.928 176.600 -0.023 0.000 1.000 890 E CA 1.663 58.054 56.400 -0.014 0.000 0.804 890 E CB -0.061 29.630 29.700 -0.015 0.000 0.740 890 E HN 0.210 nan 8.360 nan 0.000 0.454 891 S N -0.918 114.783 115.700 0.002 0.000 2.383 891 S HA -0.056 4.422 4.470 0.014 0.000 0.227 891 S C 1.817 176.422 174.600 0.010 0.000 1.026 891 S CA 0.977 59.173 58.200 -0.007 0.000 0.981 891 S CB -0.216 63.018 63.200 0.056 0.000 0.818 891 S HN 0.284 nan 8.310 nan 0.000 0.472 892 I N 0.908 121.509 120.570 0.052 0.000 2.315 892 I HA -0.158 4.021 4.170 0.014 0.000 0.248 892 I C 1.970 178.115 176.117 0.047 0.000 1.117 892 I CA 1.028 62.371 61.300 0.073 0.000 1.404 892 I CB -0.351 37.690 38.000 0.069 0.000 1.071 892 I HN 0.289 nan 8.210 nan 0.000 0.419 893 I N 0.828 121.405 120.570 0.011 0.000 2.226 893 I HA -0.295 3.884 4.170 0.014 0.000 0.245 893 I C 2.537 178.662 176.117 0.014 0.000 1.100 893 I CA 1.249 62.557 61.300 0.014 0.000 1.374 893 I CB -0.272 37.702 38.000 -0.044 0.000 1.057 893 I HN 0.106 nan 8.210 nan 0.000 0.413 894 K N 0.703 121.041 120.400 -0.104 0.000 2.211 894 K HA -0.193 4.136 4.320 0.014 0.000 0.204 894 K C 1.111 177.524 176.600 -0.311 0.000 1.047 894 K CA 1.749 57.890 56.287 -0.242 0.000 0.935 894 K CB -0.331 31.930 32.500 -0.398 0.000 0.728 894 K HN 0.513 nan 8.250 nan 0.000 0.452 895 H N -1.087 117.998 119.070 0.025 0.000 2.469 895 H HA 0.260 4.824 4.556 0.015 0.000 0.286 895 H C -0.762 174.573 175.328 0.011 0.000 1.106 895 H CA -0.341 55.710 56.048 0.006 0.000 1.055 895 H CB 0.733 30.484 29.762 -0.019 0.000 1.618 895 H HN -0.070 nan 8.280 nan 0.000 0.559 896 T N 0.662 115.285 114.554 0.115 0.000 2.855 896 T HA 0.096 4.455 4.350 0.014 0.000 0.281 896 T C 0.264 175.002 174.700 0.063 0.000 1.007 896 T CA -0.971 61.194 62.100 0.110 0.000 1.009 896 T CB 1.997 70.957 68.868 0.153 0.000 0.983 896 T HN 0.213 nan 8.240 nan 0.000 0.455 897 E N 2.253 122.469 120.200 0.027 0.000 2.614 897 E HA 0.061 4.419 4.350 0.014 0.000 0.245 897 E C 0.828 177.346 176.600 -0.137 0.000 1.039 897 E CA 0.088 56.467 56.400 -0.034 0.000 0.948 897 E CB 0.214 29.906 29.700 -0.014 0.000 0.937 897 E HN 0.819 nan 8.360 nan 0.000 0.498 898 G N 1.793 110.440 108.800 -0.256 0.000 2.305 898 G HA2 0.233 4.201 3.960 0.014 0.000 0.243 898 G HA3 0.233 4.201 3.960 0.014 0.000 0.243 898 G C 1.084 175.799 174.900 -0.309 0.000 1.288 898 G CA 0.185 44.986 45.100 -0.498 0.000 0.901 898 G HN 0.702 nan 8.290 nan 0.000 0.516 899 G N 1.520 110.125 108.800 -0.326 0.000 2.212 899 G HA2 -0.278 3.691 3.960 0.014 0.000 0.266 899 G HA3 -0.278 3.691 3.960 0.014 0.000 0.266 899 G C 0.712 175.617 174.900 0.007 0.000 0.978 899 G CA 0.843 45.901 45.100 -0.070 0.000 0.632 899 G HN 1.188 nan 8.290 nan 0.000 0.537 900 T N 0.462 115.028 114.554 0.020 0.000 2.860 900 T HA 0.456 4.815 4.350 0.014 0.000 0.299 900 T C 1.576 176.329 174.700 0.087 0.000 1.045 900 T CA 0.601 62.732 62.100 0.051 0.000 1.071 900 T CB 1.640 70.537 68.868 0.047 0.000 0.985 900 T HN 0.492 nan 8.240 nan 0.000 0.537 901 S N 0.335 116.069 115.700 0.057 0.000 2.370 901 S HA -0.203 4.275 4.470 0.014 0.000 0.226 901 S C 2.003 176.636 174.600 0.056 0.000 1.033 901 S CA 1.928 60.158 58.200 0.049 0.000 1.011 901 S CB -0.437 62.782 63.200 0.032 0.000 0.852 901 S HN 0.790 nan 8.310 nan 0.000 0.457 902 E N 0.810 121.046 120.200 0.061 0.000 2.070 902 E HA -0.238 4.120 4.350 0.014 0.000 0.197 902 E C 1.987 178.635 176.600 0.080 0.000 1.004 902 E CA 2.053 58.491 56.400 0.062 0.000 0.805 902 E CB -0.715 29.020 29.700 0.058 0.000 0.744 902 E HN 0.785 nan 8.360 nan 0.000 0.451 903 H N -0.057 119.019 119.070 0.011 0.000 2.293 903 H HA -0.117 4.447 4.556 0.014 0.000 0.300 903 H C 2.133 177.466 175.328 0.009 0.000 1.082 903 H CA 1.953 58.006 56.048 0.008 0.000 1.308 903 H CB 0.049 29.813 29.762 0.004 0.000 1.375 903 H HN 0.361 nan 8.280 nan 0.000 0.495 904 E N 0.539 120.761 120.200 0.036 0.000 2.051 904 E HA -0.154 4.204 4.350 0.014 0.000 0.192 904 E C 2.311 178.880 176.600 -0.051 0.000 0.991 904 E CA 1.054 57.442 56.400 -0.021 0.000 0.799 904 E CB 0.155 29.881 29.700 0.044 0.000 0.748 904 E HN 0.428 nan 8.360 nan 0.000 0.449 905 K N 0.249 120.640 120.400 -0.016 0.000 2.103 905 K HA -0.138 4.191 4.320 0.014 0.000 0.207 905 K C 2.265 178.854 176.600 -0.017 0.000 1.048 905 K CA 1.038 57.320 56.287 -0.008 0.000 0.930 905 K CB -0.118 32.389 32.500 0.012 0.000 0.716 905 K HN 0.196 nan 8.250 nan 0.000 0.444 906 L N 0.537 121.739 121.223 -0.035 0.000 2.046 906 L HA -0.269 4.080 4.340 0.014 0.000 0.208 906 L C 2.556 179.383 176.870 -0.072 0.000 1.077 906 L CA 1.059 55.879 54.840 -0.035 0.000 0.747 906 L CB -0.463 41.570 42.059 -0.044 0.000 0.896 906 L HN 0.357 nan 8.230 nan 0.000 0.432 907 C N -0.821 118.393 119.300 -0.143 0.000 2.413 907 C HA -0.221 4.248 4.460 0.014 0.000 0.276 907 C C 2.929 177.874 174.990 -0.076 0.000 1.236 907 C CA 1.014 59.951 59.018 -0.135 0.000 1.735 907 C CB -1.045 26.586 27.740 -0.182 0.000 2.031 907 C HN 0.489 nan 8.230 nan 0.000 0.474 908 R N 1.312 121.779 120.500 -0.055 0.000 2.103 908 R HA -0.196 4.153 4.340 0.014 0.000 0.234 908 R C 2.311 178.596 176.300 -0.026 0.000 1.132 908 R CA 2.196 58.277 56.100 -0.033 0.000 0.925 908 R CB -0.646 29.643 30.300 -0.019 0.000 0.842 908 R HN 0.449 nan 8.270 nan 0.000 0.430 909 A N 1.178 123.995 122.820 -0.004 0.000 1.958 909 A HA -0.272 4.057 4.320 0.014 0.000 0.221 909 A C 2.254 179.808 177.584 -0.050 0.000 1.178 909 A CA 1.916 53.971 52.037 0.030 0.000 0.642 909 A CB -0.795 18.266 19.000 0.101 0.000 0.816 909 A HN 0.530 nan 8.150 nan 0.000 0.453 910 R N -0.638 119.823 120.500 -0.065 0.000 2.062 910 R HA -0.136 4.212 4.340 0.014 0.000 0.229 910 R C 1.403 177.639 176.300 -0.107 0.000 1.128 910 R CA 1.675 57.714 56.100 -0.102 0.000 0.960 910 R CB -0.436 29.821 30.300 -0.072 0.000 0.855 910 R HN 0.444 nan 8.270 nan 0.000 0.432 911 D N 0.829 121.183 120.400 -0.076 0.000 2.097 911 D HA -0.173 4.476 4.640 0.014 0.000 0.195 911 D C 2.083 178.342 176.300 -0.068 0.000 0.989 911 D CA 1.094 55.056 54.000 -0.062 0.000 0.827 911 D CB -0.221 40.551 40.800 -0.046 0.000 0.966 911 D HN 0.328 nan 8.370 nan 0.000 0.456 912 Q N 0.104 119.862 119.800 -0.069 0.000 2.181 912 Q HA -0.135 4.213 4.340 0.014 0.000 0.205 912 Q C 2.568 178.494 176.000 -0.123 0.000 0.980 912 Q CA 0.739 56.500 55.803 -0.070 0.000 0.862 912 Q CB -0.603 28.113 28.738 -0.036 0.000 0.905 912 Q HN 0.383 nan 8.270 nan 0.000 0.429 913 C N 0.590 119.755 119.300 -0.225 0.000 2.432 913 C HA -0.102 4.367 4.460 0.014 0.000 0.277 913 C C 2.691 177.594 174.990 -0.144 0.000 1.249 913 C CA 0.470 59.302 59.018 -0.310 0.000 1.725 913 C CB -0.869 26.585 27.740 -0.477 0.000 2.028 913 C HN 0.502 nan 8.230 nan 0.000 0.477 914 R N 0.593 121.032 120.500 -0.102 0.000 2.159 914 R HA -0.172 4.177 4.340 0.014 0.000 0.237 914 R C 1.933 178.216 176.300 -0.029 0.000 1.131 914 R CA 1.491 57.558 56.100 -0.054 0.000 0.982 914 R CB -0.338 29.934 30.300 -0.046 0.000 0.868 914 R HN 0.588 nan 8.270 nan 0.000 0.453 915 E N 0.746 120.926 120.200 -0.033 0.000 2.230 915 E HA -0.011 4.348 4.350 0.014 0.000 0.192 915 E C 1.691 178.305 176.600 0.023 0.000 0.987 915 E CA 0.512 56.909 56.400 -0.004 0.000 0.841 915 E CB 0.105 29.795 29.700 -0.017 0.000 0.783 915 E HN 0.238 nan 8.360 nan 0.000 0.481 916 I N 0.175 120.742 120.570 -0.005 0.000 2.406 916 I HA -0.152 4.026 4.170 0.014 0.000 0.249 916 I C 2.224 178.392 176.117 0.086 0.000 1.122 916 I CA 0.392 61.707 61.300 0.025 0.000 1.431 916 I CB -0.035 37.960 38.000 -0.008 0.000 1.087 916 I HN 0.200 nan 8.210 nan 0.000 0.424 917 L N 0.856 122.104 121.223 0.041 0.000 2.012 917 L HA -0.265 4.083 4.340 0.014 0.000 0.210 917 L C 2.534 179.437 176.870 0.055 0.000 1.073 917 L CA 1.794 56.659 54.840 0.041 0.000 0.748 917 L CB -0.245 41.816 42.059 0.004 0.000 0.891 917 L HN 0.129 nan 8.230 nan 0.000 0.431 918 K N -1.401 119.030 120.400 0.052 0.000 2.097 918 K HA -0.242 4.086 4.320 0.014 0.000 0.206 918 K C 2.027 178.665 176.600 0.064 0.000 1.049 918 K CA 1.744 58.056 56.287 0.040 0.000 0.933 918 K CB -0.365 32.152 32.500 0.029 0.000 0.717 918 K HN 0.325 nan 8.250 nan 0.000 0.442 919 Y N 1.266 121.561 120.300 -0.008 0.000 2.181 919 Y HA -0.263 4.296 4.550 0.014 0.000 0.288 919 Y C 1.906 177.809 175.900 0.005 0.000 1.146 919 Y CA 1.233 59.331 58.100 -0.002 0.000 1.164 919 Y CB -0.040 38.420 38.460 0.000 0.000 0.982 919 Y HN -0.238 nan 8.280 nan 0.000 0.515 920 V N 0.478 120.498 119.914 0.176 0.000 2.407 920 V HA -0.245 3.884 4.120 0.014 0.000 0.245 920 V C 2.037 178.131 176.094 0.001 0.000 1.041 920 V CA 1.803 64.166 62.300 0.105 0.000 1.040 920 V CB -0.745 31.165 31.823 0.145 0.000 0.671 920 V HN 0.390 nan 8.190 nan 0.000 0.455 921 N N 0.426 119.127 118.700 0.001 0.000 2.094 921 N HA -0.210 4.538 4.740 0.014 0.000 0.191 921 N C 1.903 177.375 175.510 -0.063 0.000 1.023 921 N CA 1.714 54.748 53.050 -0.027 0.000 0.857 921 N CB -0.293 38.184 38.487 -0.018 0.000 1.013 921 N HN 0.555 nan 8.380 nan 0.000 0.426 922 E N 0.561 120.704 120.200 -0.096 0.000 2.106 922 E HA 0.059 4.418 4.350 0.014 0.000 0.192 922 E C 1.715 178.221 176.600 -0.157 0.000 0.984 922 E CA 1.098 57.422 56.400 -0.128 0.000 0.806 922 E CB -0.352 29.258 29.700 -0.151 0.000 0.750 922 E HN 0.307 nan 8.360 nan 0.000 0.458 923 A N 0.056 122.753 122.820 -0.206 0.000 1.877 923 A HA -0.137 4.191 4.320 0.014 0.000 0.216 923 A C 2.481 180.009 177.584 -0.094 0.000 1.186 923 A CA 1.688 53.618 52.037 -0.179 0.000 0.620 923 A CB -0.815 18.076 19.000 -0.182 0.000 0.822 923 A HN 0.191 nan 8.150 nan 0.000 0.443 924 V N 0.109 119.978 119.914 -0.074 0.000 2.295 924 V HA -0.268 3.860 4.120 0.014 0.000 0.246 924 V C 2.529 178.582 176.094 -0.068 0.000 1.049 924 V CA 2.397 64.659 62.300 -0.064 0.000 1.024 924 V CB -0.663 31.125 31.823 -0.059 0.000 0.648 924 V HN 0.643 nan 8.190 nan 0.000 0.447 925 K N -0.391 119.968 120.400 -0.068 0.000 2.057 925 K HA -0.241 4.088 4.320 0.014 0.000 0.207 925 K C 2.309 178.875 176.600 -0.057 0.000 1.049 925 K CA 1.748 57.997 56.287 -0.062 0.000 0.931 925 K CB -0.106 32.358 32.500 -0.059 0.000 0.714 925 K HN 0.536 nan 8.250 nan 0.000 0.440 926 Q N -0.640 119.123 119.800 -0.061 0.000 2.050 926 Q HA -0.119 4.230 4.340 0.014 0.000 0.202 926 Q C 1.995 177.977 176.000 -0.030 0.000 0.980 926 Q CA 2.090 57.864 55.803 -0.049 0.000 0.840 926 Q CB -0.023 28.679 28.738 -0.061 0.000 0.898 926 Q HN 0.336 nan 8.270 nan 0.000 0.424 927 T N 0.873 115.411 114.554 -0.027 0.000 2.788 927 T HA -0.146 4.212 4.350 0.014 0.000 0.268 927 T C 1.430 176.133 174.700 0.004 0.000 1.044 927 T CA 1.302 63.406 62.100 0.007 0.000 1.139 927 T CB -0.118 68.763 68.868 0.023 0.000 0.867 927 T HN 0.314 nan 8.240 nan 0.000 0.454 928 E N 0.834 121.009 120.200 -0.041 0.000 2.107 928 E HA -0.054 4.305 4.350 0.014 0.000 0.191 928 E C 2.228 178.813 176.600 -0.025 0.000 0.982 928 E CA 0.527 56.893 56.400 -0.055 0.000 0.809 928 E CB -0.037 29.610 29.700 -0.088 0.000 0.756 928 E HN 0.292 nan 8.360 nan 0.000 0.459 929 N N 0.850 119.531 118.700 -0.033 0.000 2.166 929 N HA -0.155 4.593 4.740 0.014 0.000 0.186 929 N C 1.617 177.108 175.510 -0.032 0.000 1.019 929 N CA 0.799 53.827 53.050 -0.036 0.000 0.856 929 N CB -0.180 38.289 38.487 -0.030 0.000 0.993 929 N HN 0.083 nan 8.380 nan 0.000 0.426 930 R N -0.163 120.335 120.500 -0.003 0.000 2.148 930 R HA -0.090 4.258 4.340 0.014 0.000 0.227 930 R C 2.046 178.352 176.300 0.010 0.000 1.103 930 R CA 0.988 57.093 56.100 0.008 0.000 0.983 930 R CB -0.157 30.162 30.300 0.032 0.000 0.874 930 R HN 0.410 nan 8.270 nan 0.000 0.451 931 H N 0.274 119.300 119.070 -0.073 0.000 2.403 931 H HA 0.033 4.597 4.556 0.014 0.000 0.298 931 H C 1.663 176.881 175.328 -0.184 0.000 1.059 931 H CA 0.841 56.833 56.048 -0.094 0.000 1.363 931 H CB 0.351 30.045 29.762 -0.113 0.000 1.410 931 H HN 0.116 nan 8.280 nan 0.000 0.528 932 R N 0.497 120.854 120.500 -0.238 0.000 2.083 932 R HA -0.117 4.232 4.340 0.014 0.000 0.237 932 R C 2.643 178.537 176.300 -0.677 0.000 1.137 932 R CA 0.980 56.772 56.100 -0.515 0.000 0.951 932 R CB -0.554 29.509 30.300 -0.394 0.000 0.851 932 R HN 0.356 nan 8.270 nan 0.000 0.434 933 L N 0.747 121.781 121.223 -0.315 0.000 2.131 933 L HA -0.160 4.188 4.340 0.014 0.000 0.210 933 L C 2.288 179.088 176.870 -0.117 0.000 1.092 933 L CA 1.320 56.083 54.840 -0.128 0.000 0.759 933 L CB -0.418 41.633 42.059 -0.013 0.000 0.903 933 L HN 0.246 nan 8.230 nan 0.000 0.435 934 E N 0.107 120.200 120.200 -0.178 0.000 2.072 934 E HA -0.156 4.202 4.350 0.014 0.000 0.191 934 E C 2.268 178.768 176.600 -0.166 0.000 0.985 934 E CA 1.067 57.380 56.400 -0.146 0.000 0.801 934 E CB -0.288 29.320 29.700 -0.154 0.000 0.750 934 E HN 0.559 nan 8.360 nan 0.000 0.452 935 G N 0.375 108.992 108.800 -0.304 0.000 2.408 935 G HA2 -0.221 3.747 3.960 0.014 0.000 0.217 935 G HA3 -0.221 3.747 3.960 0.014 0.000 0.217 935 G C 1.033 175.905 174.900 -0.047 0.000 1.150 935 G CA 0.465 45.417 45.100 -0.246 0.000 0.776 935 G HN 0.179 nan 8.290 nan 0.000 0.542 936 Y N 0.229 120.498 120.300 -0.052 0.000 2.439 936 Y HA 0.025 4.583 4.550 0.014 0.000 0.292 936 Y C 2.779 178.672 175.900 -0.011 0.000 1.130 936 Y CA 0.588 58.679 58.100 -0.015 0.000 1.254 936 Y CB -0.677 37.789 38.460 0.010 0.000 1.000 936 Y HN 0.228 nan 8.280 nan 0.000 0.554 937 Q N 0.986 120.855 119.800 0.115 0.000 2.079 937 Q HA -0.120 4.228 4.340 0.014 0.000 0.200 937 Q C 1.822 177.853 176.000 0.051 0.000 0.974 937 Q CA 1.751 57.596 55.803 0.070 0.000 0.840 937 Q CB -0.109 28.649 28.738 0.034 0.000 0.898 937 Q HN 0.301 nan 8.270 nan 0.000 0.430 938 K N -0.709 119.711 120.400 0.033 0.000 2.366 938 K HA 0.024 4.353 4.320 0.014 0.000 0.198 938 K C 1.959 178.580 176.600 0.035 0.000 1.044 938 K CA 0.536 56.837 56.287 0.024 0.000 0.973 938 K CB 0.141 32.643 32.500 0.004 0.000 0.767 938 K HN 0.073 nan 8.250 nan 0.000 0.475 939 R N 0.259 120.793 120.500 0.057 0.000 2.210 939 R HA 0.059 4.408 4.340 0.014 0.000 0.203 939 R C 0.295 176.624 176.300 0.048 0.000 1.010 939 R CA -0.103 56.030 56.100 0.056 0.000 1.008 939 R CB 0.086 30.436 30.300 0.084 0.000 0.923 939 R HN 0.006 nan 8.270 nan 0.000 0.469 940 L N 1.707 122.964 121.223 0.057 0.000 2.455 940 L HA 0.049 4.398 4.340 0.014 0.000 0.272 940 L C -0.537 176.356 176.870 0.037 0.000 1.174 940 L CA 0.755 55.623 54.840 0.047 0.000 0.869 940 L CB 0.681 42.773 42.059 0.056 0.000 1.130 940 L HN -0.049 nan 8.230 nan 0.000 0.474 941 D N 4.131 124.551 120.400 0.033 0.000 2.549 941 D HA 0.472 5.120 4.640 0.014 0.000 0.251 941 D C -0.708 175.611 176.300 0.032 0.000 1.153 941 D CA -0.185 53.833 54.000 0.030 0.000 0.861 941 D CB 1.982 42.798 40.800 0.026 0.000 1.207 941 D HN 0.702 nan 8.370 nan 0.000 0.543 942 A N 2.860 125.700 122.820 0.034 0.000 2.631 942 A HA 0.141 4.470 4.320 0.014 0.000 0.294 942 A C 1.459 179.063 177.584 0.034 0.000 1.156 942 A CA 0.081 52.141 52.037 0.039 0.000 0.963 942 A CB -0.197 18.834 19.000 0.053 0.000 1.202 942 A HN 0.559 nan 8.150 nan 0.000 0.523 943 T N -2.953 111.617 114.554 0.026 0.000 2.929 943 T HA -0.019 4.339 4.350 0.014 0.000 0.271 943 T C 1.712 176.423 174.700 0.018 0.000 1.085 943 T CA 1.439 63.552 62.100 0.022 0.000 1.125 943 T CB -0.292 68.587 68.868 0.018 0.000 0.874 943 T HN 0.574 nan 8.240 nan 0.000 0.494 944 A N 0.732 123.561 122.820 0.015 0.000 2.119 944 A HA 0.305 4.633 4.320 0.014 0.000 0.217 944 A C 2.001 179.593 177.584 0.013 0.000 1.153 944 A CA 0.611 52.652 52.037 0.006 0.000 0.692 944 A CB -0.565 18.429 19.000 -0.011 0.000 0.799 944 A HN 0.464 nan 8.150 nan 0.000 0.458 945 L N -0.376 120.864 121.223 0.028 0.000 2.592 945 L HA 0.107 4.456 4.340 0.014 0.000 0.227 945 L C 1.803 178.696 176.870 0.038 0.000 1.127 945 L CA 0.876 55.742 54.840 0.044 0.000 0.884 945 L CB -0.272 41.828 42.059 0.070 0.000 1.065 945 L HN 0.415 nan 8.230 nan 0.000 0.457 946 E N -0.573 119.644 120.200 0.028 0.000 2.347 946 E HA -0.102 4.256 4.350 0.014 0.000 0.196 946 E C 1.613 178.223 176.600 0.017 0.000 1.008 946 E CA 0.264 56.677 56.400 0.021 0.000 0.852 946 E CB 0.162 29.872 29.700 0.018 0.000 0.783 946 E HN 0.386 nan 8.360 nan 0.000 0.505 947 R N 0.434 120.944 120.500 0.017 0.000 2.161 947 R HA 0.161 4.510 4.340 0.014 0.000 0.213 947 R C 1.453 177.762 176.300 0.015 0.000 1.055 947 R CA 0.837 56.945 56.100 0.013 0.000 0.996 947 R CB -0.600 29.706 30.300 0.010 0.000 0.901 947 R HN 0.091 nan 8.270 nan 0.000 0.456 948 A N 0.645 123.478 122.820 0.022 0.000 5.369 948 A HA -0.413 3.916 4.320 0.014 0.000 0.298 948 A C 1.230 178.828 177.584 0.024 0.000 2.000 948 A CA 3.710 55.763 52.037 0.026 0.000 0.716 948 A CB -1.843 17.168 19.000 0.018 0.000 1.248 948 A HN 1.011 nan 8.150 nan 0.000 0.365 949 S N -2.167 113.544 115.700 0.018 0.000 1.289 949 S HA -0.212 4.266 4.470 0.014 0.000 0.253 949 S C -0.012 174.597 174.600 0.015 0.000 0.595 949 S CA 1.599 59.807 58.200 0.014 0.000 1.069 949 S CB -2.392 60.816 63.200 0.013 0.000 0.855 949 S HN 2.808 nan 8.310 nan 0.000 0.490 950 N N 3.554 122.269 118.700 0.026 0.000 2.424 950 N HA 0.494 5.242 4.740 0.014 0.000 0.271 950 N C -2.154 173.383 175.510 0.044 0.000 0.985 950 N CA -1.385 51.682 53.050 0.029 0.000 0.921 950 N CB 2.286 40.787 38.487 0.025 0.000 1.149 950 N HN 0.402 nan 8.380 nan 0.000 0.492 951 P HA -0.098 nan 4.420 nan 0.000 0.223 951 P C 1.446 178.774 177.300 0.048 0.000 1.151 951 P CA 0.658 63.775 63.100 0.029 0.000 0.787 951 P CB 0.187 31.895 31.700 0.013 0.000 0.788 952 L N -1.995 119.273 121.223 0.076 0.000 2.265 952 L HA 0.073 4.421 4.340 0.014 0.000 0.215 952 L C 2.369 179.372 176.870 0.222 0.000 1.117 952 L CA 2.001 56.917 54.840 0.127 0.000 0.782 952 L CB -1.739 40.393 42.059 0.122 0.000 0.914 952 L HN -0.115 nan 8.230 nan 0.000 0.441 953 A N -0.395 122.540 122.820 0.191 0.000 2.167 953 A HA 0.574 4.902 4.320 0.014 0.000 0.208 953 A C 2.407 180.118 177.584 0.211 0.000 1.198 953 A CA 0.533 52.718 52.037 0.248 0.000 0.863 953 A CB -0.370 18.733 19.000 0.172 0.000 0.904 953 A HN 0.305 nan 8.150 nan 0.000 0.484 954 A N 1.336 124.222 122.820 0.110 0.000 2.015 954 A HA -0.100 4.229 4.320 0.014 0.000 0.219 954 A C 1.714 179.304 177.584 0.010 0.000 1.163 954 A CA 1.473 53.544 52.037 0.057 0.000 0.646 954 A CB -0.534 18.481 19.000 0.025 0.000 0.806 954 A HN 0.714 nan 8.150 nan 0.000 0.448 955 E N -1.635 118.522 120.200 -0.072 0.000 2.516 955 E HA -0.022 4.337 4.350 0.014 0.000 0.199 955 E C 0.208 176.564 176.600 -0.406 0.000 1.069 955 E CA 0.425 56.661 56.400 -0.274 0.000 0.876 955 E CB -0.303 29.145 29.700 -0.420 0.000 0.843 955 E HN 0.581 nan 8.360 nan 0.000 0.530 956 F N 1.518 121.478 119.950 0.016 0.000 2.684 956 F HA 0.281 4.816 4.527 0.014 0.000 0.298 956 F C 1.312 177.121 175.800 0.016 0.000 1.120 956 F CA -0.680 57.329 58.000 0.016 0.000 1.332 956 F CB 0.538 39.549 39.000 0.018 0.000 0.986 956 F HN -0.039 nan 8.300 nan 0.000 0.524 957 K N 0.090 120.560 120.400 0.116 0.000 2.286 957 K HA -0.106 4.223 4.320 0.014 0.000 0.203 957 K C 0.364 177.008 176.600 0.073 0.000 1.045 957 K CA 1.516 57.850 56.287 0.079 0.000 0.935 957 K CB -0.361 32.162 32.500 0.038 0.000 0.737 957 K HN 0.210 nan 8.250 nan 0.000 0.460 958 S N 0.178 115.924 115.700 0.075 0.000 2.204 958 S HA 0.284 4.763 4.470 0.014 0.000 0.147 958 S C 0.441 175.097 174.600 0.093 0.000 1.711 958 S CA -0.914 57.326 58.200 0.067 0.000 1.274 958 S CB 0.601 63.824 63.200 0.038 0.000 1.257 958 S HN 0.223 nan 8.310 nan 0.000 0.404 959 L N 1.674 122.974 121.223 0.127 0.000 1.976 959 L HA -0.054 4.295 4.340 0.014 0.000 0.209 959 L C 0.348 177.291 176.870 0.120 0.000 1.071 959 L CA 1.617 56.559 54.840 0.170 0.000 0.746 959 L CB -0.422 41.723 42.059 0.143 0.000 0.890 959 L HN 0.796 nan 8.230 nan 0.000 0.432 960 D N -0.962 119.488 120.400 0.083 0.000 4.288 960 D HA -0.213 4.436 4.640 0.014 0.000 0.234 960 D C 0.502 176.841 176.300 0.066 0.000 1.054 960 D CA 0.350 54.389 54.000 0.064 0.000 1.227 960 D CB -0.452 40.379 40.800 0.052 0.000 0.788 960 D HN 0.215 nan 8.370 nan 0.000 0.393 961 L N 2.510 123.770 121.223 0.061 0.000 2.395 961 L HA 0.000 4.349 4.340 0.014 0.000 0.218 961 L C 2.513 179.410 176.870 0.045 0.000 1.130 961 L CA 0.934 55.809 54.840 0.059 0.000 0.826 961 L CB -0.297 41.808 42.059 0.075 0.000 0.941 961 L HN 0.396 nan 8.230 nan 0.000 0.451 962 T N -0.801 113.775 114.554 0.037 0.000 2.822 962 T HA -0.179 4.180 4.350 0.014 0.000 0.270 962 T C 1.775 176.490 174.700 0.025 0.000 1.064 962 T CA 1.954 64.069 62.100 0.024 0.000 1.131 962 T CB -0.347 68.533 68.868 0.020 0.000 0.858 962 T HN 0.558 nan 8.240 nan 0.000 0.483 963 T N -0.783 113.791 114.554 0.033 0.000 3.219 963 T HA 0.359 4.718 4.350 0.014 0.000 0.249 963 T C 0.527 175.245 174.700 0.031 0.000 1.099 963 T CA -0.316 61.802 62.100 0.031 0.000 0.988 963 T CB 0.173 69.062 68.868 0.035 0.000 0.999 963 T HN 0.118 nan 8.240 nan 0.000 0.550 964 R N -0.077 120.441 120.500 0.030 0.000 2.888 964 R HA 0.696 5.044 4.340 0.014 0.000 0.264 964 R C -1.039 175.271 176.300 0.018 0.000 1.045 964 R CA -0.839 55.276 56.100 0.026 0.000 0.962 964 R CB 1.472 31.791 30.300 0.031 0.000 1.210 964 R HN 0.085 nan 8.270 nan 0.000 0.479 965 K N 1.068 121.475 120.400 0.012 0.000 2.182 965 K HA 0.387 4.716 4.320 0.014 0.000 0.262 965 K C -0.682 175.921 176.600 0.004 0.000 0.957 965 K CA -0.506 55.783 56.287 0.004 0.000 0.842 965 K CB 1.947 34.445 32.500 -0.004 0.000 1.099 965 K HN 0.401 nan 8.250 nan 0.000 0.438 966 M N 4.751 124.353 119.600 0.003 0.000 2.180 966 M HA 0.202 4.691 4.480 0.014 0.000 0.358 966 M C 0.005 176.299 176.300 -0.009 0.000 1.233 966 M CA 0.010 55.313 55.300 0.005 0.000 1.114 966 M CB 0.587 33.197 32.600 0.017 0.000 1.594 966 M HN 0.707 nan 8.290 nan 0.000 0.467 967 I N 2.247 122.812 120.570 -0.008 0.000 2.512 967 I HA 0.068 4.246 4.170 0.014 0.000 0.247 967 I C 1.049 177.167 176.117 0.001 0.000 1.094 967 I CA 0.244 61.535 61.300 -0.016 0.000 1.427 967 I CB 0.017 38.003 38.000 -0.023 0.000 1.149 967 I HN 0.653 nan 8.210 nan 0.000 0.438 968 H N 0.905 119.875 119.070 -0.166 0.000 3.008 968 H HA 0.405 4.971 4.556 0.016 0.000 0.354 968 H C -1.555 173.647 175.328 -0.210 0.000 1.252 968 H CA -0.585 55.295 56.048 -0.281 0.000 1.117 968 H CB 2.622 32.055 29.762 -0.548 0.000 1.857 968 H HN 0.191 nan 8.280 nan 0.000 0.547 969 E N 1.626 121.391 120.200 -0.725 0.000 2.433 969 E HA 0.659 5.018 4.350 0.014 0.000 0.278 969 E C -1.199 175.242 176.600 -0.266 0.000 0.976 969 E CA -1.092 55.113 56.400 -0.326 0.000 0.793 969 E CB 3.023 32.641 29.700 -0.137 0.000 1.311 969 E HN 0.820 nan 8.360 nan 0.000 0.460 970 G N 0.651 109.465 108.800 0.023 0.000 2.340 970 G HA2 0.345 4.314 3.960 0.014 0.000 0.300 970 G HA3 0.345 4.314 3.960 0.014 0.000 0.300 970 G C -3.294 171.802 174.900 0.327 0.000 1.488 970 G CA -0.874 44.413 45.100 0.311 0.000 0.878 970 G HN 0.420 nan 8.290 nan 0.000 0.618 971 P HA 0.683 nan 4.420 nan 0.000 0.292 971 P C -0.973 176.372 177.300 0.076 0.000 1.287 971 P CA -0.505 62.713 63.100 0.197 0.000 0.800 971 P CB 1.715 33.511 31.700 0.160 0.000 0.945 972 L N 2.566 123.764 121.223 -0.042 0.000 2.388 972 L HA 0.514 4.863 4.340 0.014 0.000 0.264 972 L C 0.141 176.953 176.870 -0.097 0.000 0.998 972 L CA -0.157 54.591 54.840 -0.153 0.000 0.817 972 L CB 2.070 43.901 42.059 -0.380 0.000 1.338 972 L HN 0.246 nan 8.230 nan 0.000 0.414 973 T N 1.128 115.622 114.554 -0.100 0.000 2.837 973 T HA 0.246 4.604 4.350 0.014 0.000 0.285 973 T C -1.252 173.442 174.700 -0.011 0.000 0.984 973 T CA -0.038 62.034 62.100 -0.047 0.000 1.049 973 T CB 0.621 69.454 68.868 -0.058 0.000 0.947 973 T HN 0.418 nan 8.240 nan 0.000 0.472 974 W N 3.946 125.124 121.300 -0.202 0.000 2.294 974 W HA 0.509 5.176 4.660 0.013 0.000 0.314 974 W C -0.073 176.321 176.519 -0.210 0.000 1.044 974 W CA -1.992 55.220 57.345 -0.222 0.000 1.284 974 W CB 0.382 29.706 29.460 -0.226 0.000 1.231 974 W HN 0.470 nan 8.180 nan 0.000 0.419 975 R N 6.213 126.718 120.500 0.008 0.000 4.164 975 R HA 0.120 4.468 4.340 0.014 0.000 0.195 975 R C 1.775 177.866 176.300 -0.348 0.000 1.712 975 R CA 0.043 56.045 56.100 -0.162 0.000 1.457 975 R CB -0.817 29.444 30.300 -0.066 0.000 1.387 975 R HN 0.787 nan 8.270 nan 0.000 0.785 976 I N -0.588 119.496 120.570 -0.810 0.000 2.226 976 I HA -0.202 3.977 4.170 0.014 0.000 0.245 976 I C 0.415 176.216 176.117 -0.526 0.000 1.100 976 I CA 1.299 61.938 61.300 -1.102 0.000 1.374 976 I CB 0.183 37.254 38.000 -1.548 0.000 1.057 976 I HN 0.528 nan 8.210 nan 0.000 0.413 977 S N -0.860 114.633 115.700 -0.346 0.000 2.911 977 S HA 0.388 4.866 4.470 0.014 0.000 0.319 977 S C -0.506 174.019 174.600 -0.126 0.000 1.154 977 S CA -0.986 57.106 58.200 -0.179 0.000 0.857 977 S CB 1.101 64.215 63.200 -0.143 0.000 1.279 977 S HN 0.064 nan 8.310 nan 0.000 0.593 978 K N 1.354 121.706 120.400 -0.080 0.000 2.412 978 K HA 0.184 4.513 4.320 0.014 0.000 0.281 978 K C -0.458 176.097 176.600 -0.074 0.000 1.027 978 K CA 0.455 56.706 56.287 -0.061 0.000 0.989 978 K CB -0.055 32.422 32.500 -0.039 0.000 0.935 978 K HN 0.584 nan 8.250 nan 0.000 0.475 979 D N 0.826 121.184 120.400 -0.070 0.000 3.067 979 D HA -0.194 4.454 4.640 0.014 0.000 0.216 979 D C -0.471 175.776 176.300 -0.087 0.000 1.162 979 D CA 1.488 55.448 54.000 -0.068 0.000 0.960 979 D CB -0.275 40.494 40.800 -0.052 0.000 1.129 979 D HN 0.285 nan 8.370 nan 0.000 0.408 980 K N 0.329 120.657 120.400 -0.120 0.000 2.397 980 K HA 0.530 4.858 4.320 0.014 0.000 0.253 980 K C -0.471 176.000 176.600 -0.216 0.000 0.932 980 K CA -0.372 55.824 56.287 -0.152 0.000 0.795 980 K CB 1.752 34.158 32.500 -0.156 0.000 1.159 980 K HN 0.037 nan 8.250 nan 0.000 0.424 981 T N 0.516 114.950 114.554 -0.200 0.000 2.887 981 T HA 0.787 5.145 4.350 0.014 0.000 0.292 981 T C -1.318 173.256 174.700 -0.211 0.000 1.087 981 T CA -0.912 61.055 62.100 -0.222 0.000 1.009 981 T CB 1.267 70.052 68.868 -0.139 0.000 1.203 981 T HN 0.348 nan 8.240 nan 0.000 0.518 982 L N 0.570 121.683 121.223 -0.182 0.000 2.472 982 L HA 0.600 4.949 4.340 0.014 0.000 0.260 982 L C -1.828 175.031 176.870 -0.019 0.000 0.963 982 L CA -0.424 54.347 54.840 -0.116 0.000 0.829 982 L CB 2.439 44.383 42.059 -0.190 0.000 1.348 982 L HN 0.737 nan 8.230 nan 0.000 0.408 983 D N 3.824 124.216 120.400 -0.012 0.000 2.280 983 D HA 0.601 5.249 4.640 0.014 0.000 0.243 983 D C -0.855 175.461 176.300 0.028 0.000 1.129 983 D CA 0.371 54.375 54.000 0.006 0.000 0.848 983 D CB 1.184 41.983 40.800 -0.001 0.000 1.107 983 D HN 0.327 nan 8.370 nan 0.000 0.471 984 L N 1.775 123.015 121.223 0.028 0.000 2.370 984 L HA 0.340 4.689 4.340 0.014 0.000 0.266 984 L C -0.200 176.705 176.870 0.059 0.000 1.002 984 L CA -0.887 53.971 54.840 0.029 0.000 0.818 984 L CB 2.417 44.464 42.059 -0.020 0.000 1.325 984 L HN 0.380 nan 8.230 nan 0.000 0.418 985 H N 2.959 121.998 119.070 -0.053 0.000 2.641 985 H HA 0.348 4.913 4.556 0.015 0.000 0.295 985 H C -1.274 174.015 175.328 -0.065 0.000 1.070 985 H CA -0.420 55.593 56.048 -0.058 0.000 1.257 985 H CB 1.824 31.526 29.762 -0.100 0.000 1.393 985 H HN 0.335 nan 8.280 nan 0.000 0.464 986 V N 7.694 127.435 119.914 -0.289 0.000 2.394 986 V HA 0.330 4.458 4.120 0.014 0.000 0.282 986 V C -0.729 175.282 176.094 -0.140 0.000 1.031 986 V CA -0.620 61.551 62.300 -0.215 0.000 0.881 986 V CB 1.105 32.793 31.823 -0.224 0.000 0.982 986 V HN 0.635 nan 8.190 nan 0.000 0.451 987 L N 7.202 128.348 121.223 -0.127 0.000 2.275 987 L HA 0.494 4.843 4.340 0.014 0.000 0.288 987 L C -0.130 176.765 176.870 0.042 0.000 1.046 987 L CA -0.421 54.392 54.840 -0.046 0.000 0.805 987 L CB 1.491 43.518 42.059 -0.053 0.000 1.193 987 L HN 0.516 nan 8.230 nan 0.000 0.426 988 L N 5.000 126.281 121.223 0.097 0.000 2.281 988 L HA 0.473 4.822 4.340 0.014 0.000 0.285 988 L C -0.338 176.548 176.870 0.026 0.000 1.074 988 L CA -0.228 54.660 54.840 0.082 0.000 0.817 988 L CB 0.949 43.070 42.059 0.102 0.000 1.168 988 L HN 0.581 nan 8.230 nan 0.000 0.434 989 L N 3.111 124.340 121.223 0.009 0.000 2.341 989 L HA 0.375 4.724 4.340 0.014 0.000 0.267 989 L C 1.199 178.071 176.870 0.003 0.000 1.022 989 L CA -0.801 54.042 54.840 0.006 0.000 0.844 989 L CB 0.960 43.022 42.059 0.004 0.000 1.436 989 L HN 0.540 nan 8.230 nan 0.000 0.483 990 E N 0.508 120.711 120.200 0.006 0.000 2.085 990 E HA -0.238 4.121 4.350 0.014 0.000 0.194 990 E C 0.509 177.114 176.600 0.008 0.000 0.994 990 E CA 1.932 58.335 56.400 0.005 0.000 0.801 990 E CB 0.130 29.834 29.700 0.008 0.000 0.743 990 E HN 0.721 nan 8.360 nan 0.000 0.453 991 D N -1.538 118.871 120.400 0.015 0.000 2.498 991 D HA 0.067 4.716 4.640 0.014 0.000 0.223 991 D C 0.430 176.740 176.300 0.017 0.000 1.125 991 D CA 0.034 54.048 54.000 0.024 0.000 0.835 991 D CB 0.277 41.103 40.800 0.043 0.000 1.086 991 D HN 0.060 nan 8.370 nan 0.000 0.510 992 L N 0.183 121.402 121.223 -0.007 0.000 2.350 992 L HA 0.550 4.899 4.340 0.014 0.000 0.260 992 L C -1.390 175.436 176.870 -0.073 0.000 1.015 992 L CA -1.375 53.430 54.840 -0.057 0.000 0.821 992 L CB 2.738 44.735 42.059 -0.104 0.000 1.370 992 L HN -0.127 nan 8.230 nan 0.000 0.416 993 L N 2.279 123.429 121.223 -0.122 0.000 2.325 993 L HA 0.670 5.018 4.340 0.014 0.000 0.281 993 L C -0.912 175.839 176.870 -0.199 0.000 1.004 993 L CA -0.405 54.361 54.840 -0.123 0.000 0.823 993 L CB 1.810 43.794 42.059 -0.126 0.000 1.236 993 L HN 0.364 nan 8.230 nan 0.000 0.415 994 V N 6.879 126.692 119.914 -0.168 0.000 2.409 994 V HA 0.550 4.678 4.120 0.014 0.000 0.291 994 V C -0.849 175.137 176.094 -0.179 0.000 1.020 994 V CA -0.543 61.642 62.300 -0.193 0.000 0.848 994 V CB 1.609 33.334 31.823 -0.164 0.000 0.990 994 V HN 0.675 nan 8.190 nan 0.000 0.430 995 L N 7.585 128.690 121.223 -0.197 0.000 2.255 995 L HA 0.534 4.883 4.340 0.014 0.000 0.289 995 L C -0.374 176.458 176.870 -0.063 0.000 1.046 995 L CA -0.207 54.523 54.840 -0.183 0.000 0.816 995 L CB 0.937 42.815 42.059 -0.302 0.000 1.197 995 L HN 0.472 nan 8.230 nan 0.000 0.427 996 L N 3.405 124.601 121.223 -0.046 0.000 2.331 996 L HA 0.499 4.847 4.340 0.014 0.000 0.275 996 L C -0.142 176.761 176.870 0.055 0.000 1.022 996 L CA -0.344 54.503 54.840 0.011 0.000 0.812 996 L CB 2.090 44.138 42.059 -0.018 0.000 1.257 996 L HN 0.586 nan 8.230 nan 0.000 0.435 997 Q N 2.576 122.426 119.800 0.083 0.000 2.316 997 Q HA 0.342 4.690 4.340 0.014 0.000 0.264 997 Q C -1.191 174.838 176.000 0.047 0.000 0.987 997 Q CA -0.771 55.083 55.803 0.084 0.000 0.852 997 Q CB 1.590 30.412 28.738 0.139 0.000 1.287 997 Q HN 0.406 nan 8.270 nan 0.000 0.448 998 K N 2.868 123.283 120.400 0.026 0.000 2.276 998 K HA 0.093 4.421 4.320 0.014 0.000 0.283 998 K C 0.292 176.900 176.600 0.013 0.000 1.044 998 K CA -0.313 55.976 56.287 0.003 0.000 0.944 998 K CB 1.328 33.813 32.500 -0.025 0.000 1.012 998 K HN 0.642 nan 8.250 nan 0.000 0.472 999 Q N 1.583 121.390 119.800 0.012 0.000 2.225 999 Q HA -0.031 4.318 4.340 0.014 0.000 0.193 999 Q C 0.303 176.306 176.000 0.005 0.000 0.990 999 Q CA 1.373 57.184 55.803 0.014 0.000 0.841 999 Q CB 0.528 29.277 28.738 0.018 0.000 0.941 999 Q HN 0.648 nan 8.270 nan 0.000 0.516 1000 D N -0.881 119.521 120.400 0.003 0.000 2.973 1000 D HA 0.008 4.656 4.640 0.014 0.000 0.187 1000 D C 0.138 176.436 176.300 -0.005 0.000 1.467 1000 D CA 0.096 54.095 54.000 -0.001 0.000 1.515 1000 D CB 0.218 41.019 40.800 0.002 0.000 1.182 1000 D HN -0.029 nan 8.370 nan 0.000 0.213 1001 E N 0.878 121.078 120.200 0.000 0.000 2.651 1001 E HA 0.213 4.571 4.350 0.014 0.000 0.213 1001 E C -0.977 175.629 176.600 0.009 0.000 1.028 1001 E CA 0.040 56.441 56.400 0.002 0.000 1.183 1001 E CB 0.015 29.718 29.700 0.005 0.000 1.188 1001 E HN -0.001 nan 8.360 nan 0.000 0.444 1002 K N -0.111 120.293 120.400 0.006 0.000 2.435 1002 K HA 0.535 4.863 4.320 0.014 0.000 0.251 1002 K C -1.043 175.560 176.600 0.005 0.000 0.954 1002 K CA -0.868 55.426 56.287 0.012 0.000 0.820 1002 K CB 2.010 34.519 32.500 0.015 0.000 1.292 1002 K HN 0.003 nan 8.250 nan 0.000 0.436 1003 L N 3.396 124.624 121.223 0.009 0.000 2.325 1003 L HA 0.487 4.836 4.340 0.014 0.000 0.281 1003 L C -0.996 175.884 176.870 0.018 0.000 1.004 1003 L CA -0.704 54.136 54.840 -0.001 0.000 0.823 1003 L CB 1.010 43.052 42.059 -0.029 0.000 1.236 1003 L HN 0.335 nan 8.230 nan 0.000 0.415 1004 L N 4.826 126.068 121.223 0.031 0.000 2.313 1004 L HA 0.505 4.853 4.340 0.014 0.000 0.283 1004 L C -0.502 176.400 176.870 0.054 0.000 1.013 1004 L CA -0.542 54.324 54.840 0.043 0.000 0.816 1004 L CB 1.749 43.840 42.059 0.054 0.000 1.236 1004 L HN 0.458 nan 8.230 nan 0.000 0.419 1005 L N 4.550 125.797 121.223 0.040 0.000 2.281 1005 L HA 0.447 4.796 4.340 0.014 0.000 0.285 1005 L C -0.094 176.788 176.870 0.019 0.000 1.074 1005 L CA 0.005 54.869 54.840 0.039 0.000 0.817 1005 L CB 1.142 43.221 42.059 0.033 0.000 1.168 1005 L HN 0.579 nan 8.230 nan 0.000 0.434 1006 K N 2.518 122.911 120.400 -0.012 0.000 2.527 1006 K HA 0.503 4.832 4.320 0.014 0.000 0.260 1006 K C -1.551 174.872 176.600 -0.295 0.000 0.937 1006 K CA -0.618 55.571 56.287 -0.163 0.000 0.826 1006 K CB 2.064 34.430 32.500 -0.224 0.000 1.359 1006 K HN 0.535 nan 8.250 nan 0.000 0.434 1007 C N 2.934 122.095 119.300 -0.232 0.000 2.350 1007 C HA 0.520 4.989 4.460 0.014 0.000 0.348 1007 C C -0.479 174.371 174.990 -0.233 0.000 1.260 1007 C CA -0.636 58.312 59.018 -0.115 0.000 1.966 1007 C CB -0.217 27.537 27.740 0.022 0.000 2.380 1007 C HN 0.659 nan 8.230 nan 0.000 0.535 1008 H N 1.354 120.575 119.070 0.251 0.000 2.524 1008 H HA 0.307 4.872 4.556 0.014 0.000 0.353 1008 H C 0.539 175.993 175.328 0.210 0.000 1.136 1008 H CA -0.160 55.997 56.048 0.182 0.000 1.193 1008 H CB 1.897 31.741 29.762 0.138 0.000 1.558 1008 H HN 0.758 nan 8.280 nan 0.000 0.515 1009 S N 2.980 118.807 115.700 0.211 0.000 2.288 1009 S HA 0.164 4.643 4.470 0.014 0.000 0.191 1009 S C 0.422 175.133 174.600 0.186 0.000 1.028 1009 S CA 0.299 58.592 58.200 0.154 0.000 1.030 1009 S CB 0.609 63.852 63.200 0.071 0.000 0.932 1009 S HN 0.582 nan 8.310 nan 0.000 0.463 1022 F N 1.899 121.942 119.950 0.156 0.000 2.396 1022 F HA 0.621 5.156 4.527 0.013 0.000 0.343 1022 F C 1.408 177.394 175.800 0.311 0.000 1.104 1022 F CA -0.281 57.864 58.000 0.241 0.000 1.161 1022 F CB 1.667 40.886 39.000 0.364 0.000 1.146 1022 F HN 0.731 nan 8.300 nan 0.000 0.522 1023 S N 4.707 120.698 115.700 0.486 0.000 2.549 1023 S HA 0.176 4.655 4.470 0.014 0.000 0.279 1023 S C -1.281 173.511 174.600 0.319 0.000 1.321 1023 S CA -1.281 57.121 58.200 0.337 0.000 1.054 1023 S CB 0.754 64.105 63.200 0.251 0.000 0.899 1023 S HN 0.438 nan 8.310 nan 0.000 0.497 1024 P HA 0.074 nan 4.420 nan 0.000 0.227 1024 P C -0.189 177.041 177.300 -0.118 0.000 1.161 1024 P CA 0.421 63.562 63.100 0.068 0.000 0.788 1024 P CB 0.055 31.802 31.700 0.077 0.000 0.822 1025 V N 1.294 121.101 119.914 -0.177 0.000 2.513 1025 V HA 0.369 4.497 4.120 0.014 0.000 0.299 1025 V C 0.073 175.985 176.094 -0.303 0.000 1.035 1025 V CA -0.699 61.364 62.300 -0.395 0.000 0.889 1025 V CB 2.113 33.396 31.823 -0.900 0.000 0.988 1025 V HN -0.127 nan 8.190 nan 0.000 0.440 1026 L N 3.952 124.997 121.223 -0.296 0.000 2.410 1026 L HA 0.557 4.906 4.340 0.014 0.000 0.270 1026 L C -0.256 176.547 176.870 -0.111 0.000 0.983 1026 L CA -0.762 53.974 54.840 -0.172 0.000 0.822 1026 L CB 2.254 44.167 42.059 -0.245 0.000 1.285 1026 L HN 0.521 nan 8.230 nan 0.000 0.409 1027 K N 2.629 123.028 120.400 -0.000 0.000 2.322 1027 K HA 0.271 4.600 4.320 0.014 0.000 0.283 1027 K C 0.804 177.414 176.600 0.015 0.000 1.042 1027 K CA -0.299 56.013 56.287 0.043 0.000 0.958 1027 K CB 1.504 34.071 32.500 0.112 0.000 0.984 1027 K HN 0.556 nan 8.250 nan 0.000 0.473 1028 L N 2.414 123.643 121.223 0.010 0.000 2.291 1028 L HA -0.176 4.173 4.340 0.014 0.000 0.214 1028 L C 1.607 178.487 176.870 0.016 0.000 1.120 1028 L CA 0.722 55.565 54.840 0.005 0.000 0.799 1028 L CB -0.360 41.701 42.059 0.002 0.000 0.925 1028 L HN 0.683 nan 8.230 nan 0.000 0.446 1029 N N 0.523 119.239 118.700 0.026 0.000 2.461 1029 N HA -0.025 4.723 4.740 0.014 0.000 0.188 1029 N C 0.584 176.112 175.510 0.029 0.000 1.134 1029 N CA 0.810 53.875 53.050 0.026 0.000 0.878 1029 N CB 0.208 38.712 38.487 0.028 0.000 0.972 1029 N HN 0.156 nan 8.380 nan 0.000 0.456 1030 A N -0.043 122.797 122.820 0.033 0.000 2.992 1030 A HA 0.517 4.845 4.320 0.014 0.000 0.263 1030 A C -0.379 177.228 177.584 0.039 0.000 0.928 1030 A CA -0.447 51.612 52.037 0.038 0.000 1.061 1030 A CB -0.043 18.985 19.000 0.048 0.000 1.173 1030 A HN 0.191 nan 8.150 nan 0.000 0.482 1031 V N -2.854 117.080 119.914 0.033 0.000 3.114 1031 V HA 0.801 4.930 4.120 0.014 0.000 0.308 1031 V C -1.125 174.996 176.094 0.045 0.000 1.168 1031 V CA -1.087 61.237 62.300 0.040 0.000 1.015 1031 V CB 1.841 33.677 31.823 0.022 0.000 1.050 1031 V HN 0.205 nan 8.190 nan 0.000 0.433 1032 L N 3.587 124.848 121.223 0.063 0.000 2.333 1032 L HA 0.612 4.961 4.340 0.014 0.000 0.280 1032 L C -0.870 176.058 176.870 0.098 0.000 1.004 1032 L CA -0.665 54.216 54.840 0.068 0.000 0.820 1032 L CB 1.904 44.002 42.059 0.064 0.000 1.247 1032 L HN 0.491 nan 8.230 nan 0.000 0.416 1033 I N 3.560 124.180 120.570 0.083 0.000 2.312 1033 I HA 0.457 4.636 4.170 0.014 0.000 0.290 1033 I C -0.017 176.172 176.117 0.121 0.000 1.008 1033 I CA -0.196 61.165 61.300 0.101 0.000 1.226 1033 I CB 1.080 39.100 38.000 0.033 0.000 1.371 1033 I HN 0.638 nan 8.210 nan 0.000 0.468 1034 R N 3.401 124.024 120.500 0.206 0.000 2.771 1034 R HA 0.564 4.913 4.340 0.014 0.000 0.274 1034 R C -0.597 175.859 176.300 0.260 0.000 0.987 1034 R CA -0.448 55.783 56.100 0.218 0.000 0.908 1034 R CB 2.093 32.541 30.300 0.245 0.000 1.213 1034 R HN 0.733 nan 8.270 nan 0.000 0.468 1035 S N 1.096 116.904 115.700 0.180 0.000 2.509 1035 S HA 0.449 4.928 4.470 0.014 0.000 0.297 1035 S C -0.422 174.210 174.600 0.054 0.000 1.118 1035 S CA -0.767 57.499 58.200 0.111 0.000 1.074 1035 S CB 1.655 64.902 63.200 0.077 0.000 1.038 1035 S HN 0.289 nan 8.310 nan 0.000 0.498 1036 V N 3.568 123.388 119.914 -0.156 0.000 2.446 1036 V HA 0.310 4.439 4.120 0.014 0.000 0.276 1036 V C 1.561 177.630 176.094 -0.042 0.000 1.030 1036 V CA 0.229 62.411 62.300 -0.197 0.000 1.033 1036 V CB -0.183 31.371 31.823 -0.448 0.000 0.993 1036 V HN 1.149 nan 8.190 nan 0.000 0.477 1037 A N 4.161 126.999 122.820 0.031 0.000 2.066 1037 A HA -0.066 4.263 4.320 0.014 0.000 0.218 1037 A C 2.040 179.632 177.584 0.014 0.000 1.157 1037 A CA 1.589 53.645 52.037 0.031 0.000 0.670 1037 A CB -0.326 18.706 19.000 0.052 0.000 0.804 1037 A HN 0.911 nan 8.150 nan 0.000 0.453 1038 T N -3.966 110.591 114.554 0.005 0.000 3.069 1038 T HA 0.189 4.547 4.350 0.014 0.000 0.252 1038 T C -0.030 174.658 174.700 -0.019 0.000 1.053 1038 T CA 0.400 62.501 62.100 0.001 0.000 0.964 1038 T CB 0.188 69.064 68.868 0.014 0.000 1.005 1038 T HN 0.201 nan 8.240 nan 0.000 0.532 1039 D N 0.849 121.223 120.400 -0.043 0.000 2.479 1039 D HA 0.257 4.906 4.640 0.014 0.000 0.246 1039 D C 0.032 176.301 176.300 -0.050 0.000 1.336 1039 D CA -0.459 53.508 54.000 -0.055 0.000 0.967 1039 D CB 1.625 42.370 40.800 -0.091 0.000 1.275 1039 D HN 0.040 nan 8.370 nan 0.000 0.577 1040 K N 1.962 122.349 120.400 -0.022 0.000 2.591 1040 K HA 0.118 4.446 4.320 0.014 0.000 0.197 1040 K C 1.098 177.705 176.600 0.011 0.000 1.026 1040 K CA 0.271 56.557 56.287 -0.001 0.000 1.127 1040 K CB 0.693 33.197 32.500 0.007 0.000 0.871 1040 K HN 0.202 nan 8.250 nan 0.000 0.507 1041 R N -0.645 119.849 120.500 -0.009 0.000 2.487 1041 R HA 0.204 4.553 4.340 0.014 0.000 0.272 1041 R C -0.177 176.105 176.300 -0.029 0.000 0.928 1041 R CA -0.140 55.963 56.100 0.005 0.000 1.077 1041 R CB 1.273 31.565 30.300 -0.013 0.000 1.265 1041 R HN -0.011 nan 8.270 nan 0.000 0.537 1042 A N 0.985 123.750 122.820 -0.092 0.000 2.337 1042 A HA 0.725 5.053 4.320 0.014 0.000 0.331 1042 A C -0.729 176.745 177.584 -0.183 0.000 1.137 1042 A CA -0.567 51.319 52.037 -0.252 0.000 0.807 1042 A CB 0.643 19.449 19.000 -0.323 0.000 1.250 1042 A HN 0.198 nan 8.150 nan 0.000 0.468 1043 F N -1.273 118.519 119.950 -0.264 0.000 2.626 1043 F HA 0.852 5.385 4.527 0.011 0.000 0.311 1043 F C -1.509 174.150 175.800 -0.235 0.000 1.088 1043 F CA -1.700 56.151 58.000 -0.248 0.000 0.949 1043 F CB 0.987 39.928 39.000 -0.098 0.000 1.322 1043 F HN 0.313 nan 8.300 nan 0.000 0.461 1044 F N 2.324 122.398 119.950 0.206 0.000 2.421 1044 F HA 0.623 5.154 4.527 0.007 0.000 0.337 1044 F C -0.098 175.827 175.800 0.210 0.000 1.105 1044 F CA -1.442 56.644 58.000 0.142 0.000 1.049 1044 F CB 1.621 40.691 39.000 0.116 0.000 1.139 1044 F HN 0.341 nan 8.300 nan 0.000 0.479 1045 I N 5.341 126.150 120.570 0.398 0.000 2.405 1045 I HA 0.311 4.490 4.170 0.014 0.000 0.280 1045 I C -0.667 175.615 176.117 0.276 0.000 1.027 1045 I CA -0.275 61.181 61.300 0.260 0.000 1.161 1045 I CB 0.839 38.913 38.000 0.123 0.000 1.300 1045 I HN 0.368 nan 8.210 nan 0.000 0.463 1046 I N 5.628 126.321 120.570 0.206 0.000 2.337 1046 I HA 0.137 4.316 4.170 0.014 0.000 0.291 1046 I C 0.440 176.652 176.117 0.158 0.000 1.046 1046 I CA -0.346 61.061 61.300 0.179 0.000 1.324 1046 I CB 0.974 39.029 38.000 0.092 0.000 1.409 1046 I HN 0.592 nan 8.210 nan 0.000 0.494 1047 C N 6.258 125.691 119.300 0.222 0.000 2.464 1047 C HA 0.266 4.735 4.460 0.014 0.000 0.370 1047 C C 1.688 176.747 174.990 0.116 0.000 1.267 1047 C CA -0.203 58.913 59.018 0.164 0.000 1.781 1047 C CB -0.544 27.347 27.740 0.252 0.000 2.431 1047 C HN 0.927 nan 8.230 nan 0.000 0.556 1048 T N 2.073 116.674 114.554 0.078 0.000 3.186 1048 T HA 0.155 4.513 4.350 0.014 0.000 0.257 1048 T C 0.577 175.307 174.700 0.050 0.000 1.029 1048 T CA -0.101 62.033 62.100 0.056 0.000 0.916 1048 T CB -0.267 68.626 68.868 0.043 0.000 1.041 1048 T HN 0.623 nan 8.240 nan 0.000 0.562 1049 S N 3.168 118.905 115.700 0.062 0.000 2.506 1049 S HA 0.147 4.625 4.470 0.014 0.000 0.291 1049 S C 0.711 175.337 174.600 0.043 0.000 1.230 1049 S CA -0.417 57.818 58.200 0.058 0.000 1.107 1049 S CB 0.027 63.274 63.200 0.078 0.000 0.942 1049 S HN 0.357 nan 8.310 nan 0.000 0.502 1050 K N 2.546 122.966 120.400 0.032 0.000 2.457 1050 K HA 0.020 4.349 4.320 0.014 0.000 0.269 1050 K C 1.329 177.941 176.600 0.020 0.000 0.969 1050 K CA 0.122 56.422 56.287 0.021 0.000 0.921 1050 K CB 0.055 32.564 32.500 0.016 0.000 0.940 1050 K HN 0.772 nan 8.250 nan 0.000 0.517 1051 L N -2.568 118.663 121.223 0.012 0.000 2.473 1051 L HA -0.231 4.117 4.340 0.014 0.000 0.454 1051 L C 0.763 177.637 176.870 0.008 0.000 0.705 1051 L CA 1.453 56.299 54.840 0.009 0.000 3.161 1051 L CB -1.048 41.018 42.059 0.012 0.000 0.683 1051 L HN 0.864 nan 8.230 nan 0.000 0.754 1052 G N -0.742 108.065 108.800 0.012 0.000 2.537 1052 G HA2 0.655 4.624 3.960 0.014 0.000 0.323 1052 G HA3 0.655 4.624 3.960 0.014 0.000 0.323 1052 G C -2.790 172.105 174.900 -0.008 0.000 1.207 1052 G CA -0.815 44.287 45.100 0.003 0.000 0.976 1052 G HN -0.049 nan 8.290 nan 0.000 0.487 1053 P HA 0.236 nan 4.420 nan 0.000 0.271 1053 P C -2.362 174.915 177.300 -0.039 0.000 1.216 1053 P CA -0.961 62.113 63.100 -0.044 0.000 0.776 1053 P CB 0.539 32.193 31.700 -0.077 0.000 0.881 1054 P HA 0.160 nan 4.420 nan 0.000 0.271 1054 P C -0.704 176.591 177.300 -0.009 0.000 1.220 1054 P CA 0.076 63.179 63.100 0.006 0.000 0.768 1054 P CB 0.657 32.362 31.700 0.008 0.000 0.848 1055 Q N 1.769 121.598 119.800 0.048 0.000 2.387 1055 Q HA 0.589 4.938 4.340 0.014 0.000 0.273 1055 Q C -0.427 175.692 176.000 0.200 0.000 1.089 1055 Q CA -0.654 55.178 55.803 0.048 0.000 0.824 1055 Q CB 2.102 30.767 28.738 -0.121 0.000 1.367 1055 Q HN 0.418 nan 8.270 nan 0.000 0.443 1056 I N 2.442 123.125 120.570 0.188 0.000 2.359 1056 I HA 0.317 4.496 4.170 0.014 0.000 0.294 1056 I C -1.091 175.194 176.117 0.280 0.000 0.987 1056 I CA -0.718 60.713 61.300 0.218 0.000 1.225 1056 I CB 0.712 38.731 38.000 0.031 0.000 1.366 1056 I HN 0.552 nan 8.210 nan 0.000 0.466 1057 Y N 4.367 124.818 120.300 0.252 0.000 2.335 1057 Y HA 0.327 4.884 4.550 0.013 0.000 0.338 1057 Y C 0.157 176.183 175.900 0.210 0.000 0.977 1057 Y CA -0.913 57.298 58.100 0.186 0.000 1.114 1057 Y CB 1.264 39.642 38.460 -0.136 0.000 1.182 1057 Y HN 0.455 nan 8.280 nan 0.000 0.463 1058 E N 4.798 125.226 120.200 0.380 0.000 2.081 1058 E HA 0.532 4.890 4.350 0.014 0.000 0.276 1058 E C -1.664 174.929 176.600 -0.012 0.000 0.950 1058 E CA -0.344 56.162 56.400 0.177 0.000 0.776 1058 E CB 0.566 30.389 29.700 0.206 0.000 1.094 1058 E HN 0.682 nan 8.360 nan 0.000 0.402 1059 L N 4.039 125.025 121.223 -0.396 0.000 2.334 1059 L HA 0.560 4.908 4.340 0.014 0.000 0.273 1059 L C -0.823 175.604 176.870 -0.738 0.000 1.013 1059 L CA -1.245 53.257 54.840 -0.563 0.000 0.816 1059 L CB 2.058 43.646 42.059 -0.786 0.000 1.278 1059 L HN 0.358 nan 8.230 nan 0.000 0.431 1060 V N 1.573 121.219 119.914 -0.447 0.000 2.448 1060 V HA 0.656 4.785 4.120 0.014 0.000 0.295 1060 V C 0.321 176.281 176.094 -0.224 0.000 1.025 1060 V CA -0.644 61.468 62.300 -0.314 0.000 0.859 1060 V CB 1.461 33.176 31.823 -0.180 0.000 0.988 1060 V HN 0.889 nan 8.190 nan 0.000 0.431 1061 A N 3.825 126.573 122.820 -0.121 0.000 2.259 1061 A HA 0.713 5.041 4.320 0.014 0.000 0.278 1061 A C 1.028 178.628 177.584 0.027 0.000 1.107 1061 A CA -0.427 51.610 52.037 0.001 0.000 0.828 1061 A CB 0.446 19.537 19.000 0.152 0.000 1.111 1061 A HN 0.856 nan 8.150 nan 0.000 0.498 1062 L N -0.322 120.949 121.223 0.080 0.000 2.027 1062 L HA 0.016 4.364 4.340 0.014 0.000 0.206 1062 L C 1.459 178.362 176.870 0.056 0.000 1.074 1062 L CA 1.746 56.626 54.840 0.065 0.000 0.745 1062 L CB -0.583 41.531 42.059 0.092 0.000 0.898 1062 L HN 0.951 nan 8.230 nan 0.000 0.433 1063 T N -5.708 108.892 114.554 0.077 0.000 2.864 1063 T HA 0.272 4.631 4.350 0.014 0.000 0.289 1063 T C 0.881 175.621 174.700 0.066 0.000 1.082 1063 T CA -0.119 62.017 62.100 0.059 0.000 1.009 1063 T CB 1.556 70.457 68.868 0.056 0.000 1.234 1063 T HN 0.084 nan 8.240 nan 0.000 0.526 1064 S N 0.511 116.240 115.700 0.048 0.000 2.355 1064 S HA -0.131 4.348 4.470 0.014 0.000 0.222 1064 S C 2.256 176.890 174.600 0.057 0.000 1.031 1064 S CA 1.504 59.733 58.200 0.048 0.000 0.993 1064 S CB -1.232 61.986 63.200 0.030 0.000 0.859 1064 S HN 0.769 nan 8.310 nan 0.000 0.453 1065 S N 2.026 117.754 115.700 0.048 0.000 2.380 1065 S HA -0.255 4.223 4.470 0.014 0.000 0.229 1065 S C 1.718 176.358 174.600 0.067 0.000 1.043 1065 S CA 1.999 60.225 58.200 0.043 0.000 1.038 1065 S CB -1.093 62.127 63.200 0.033 0.000 0.872 1065 S HN 0.661 nan 8.310 nan 0.000 0.456 1066 D N 0.558 121.024 120.400 0.109 0.000 2.178 1066 D HA -0.080 4.569 4.640 0.014 0.000 0.202 1066 D C 2.047 178.511 176.300 0.273 0.000 0.974 1066 D CA 1.081 55.195 54.000 0.190 0.000 0.841 1066 D CB -0.229 40.711 40.800 0.234 0.000 0.953 1066 D HN 0.443 nan 8.370 nan 0.000 0.478 1067 K N 0.251 120.776 120.400 0.208 0.000 2.057 1067 K HA -0.155 4.173 4.320 0.014 0.000 0.207 1067 K C 1.617 178.282 176.600 0.108 0.000 1.049 1067 K CA 1.391 57.814 56.287 0.226 0.000 0.931 1067 K CB -0.189 32.423 32.500 0.186 0.000 0.714 1067 K HN 0.175 nan 8.250 nan 0.000 0.440 1068 N N -0.199 118.533 118.700 0.053 0.000 2.166 1068 N HA -0.121 4.628 4.740 0.014 0.000 0.186 1068 N C 1.564 177.037 175.510 -0.061 0.000 1.019 1068 N CA 2.010 55.053 53.050 -0.011 0.000 0.856 1068 N CB -0.169 38.311 38.487 -0.011 0.000 0.993 1068 N HN 0.206 nan 8.380 nan 0.000 0.426 1069 T N -0.326 114.188 114.554 -0.065 0.000 2.708 1069 T HA -0.144 4.215 4.350 0.014 0.000 0.266 1069 T C 1.281 175.784 174.700 -0.329 0.000 1.037 1069 T CA 1.132 63.107 62.100 -0.208 0.000 1.146 1069 T CB -0.482 68.243 68.868 -0.239 0.000 0.865 1069 T HN 0.378 nan 8.240 nan 0.000 0.435 1070 W N 1.028 122.142 121.300 -0.311 0.000 2.363 1070 W HA 0.028 4.695 4.660 0.011 0.000 0.296 1070 W C 2.526 178.749 176.519 -0.493 0.000 1.212 1070 W CA 0.431 57.528 57.345 -0.413 0.000 1.260 1070 W CB -0.414 28.824 29.460 -0.371 0.000 1.131 1070 W HN 0.111 nan 8.180 nan 0.000 0.530 1071 M N -0.038 119.414 119.600 -0.247 0.000 2.117 1071 M HA -0.188 4.300 4.480 0.014 0.000 0.262 1071 M C 1.751 177.952 176.300 -0.166 0.000 1.065 1071 M CA 1.755 56.901 55.300 -0.257 0.000 1.114 1071 M CB -1.384 31.114 32.600 -0.171 0.000 1.361 1071 M HN 0.148 nan 8.290 nan 0.000 0.408 1072 E N 0.094 120.204 120.200 -0.151 0.000 2.072 1072 E HA -0.102 4.257 4.350 0.014 0.000 0.190 1072 E C 2.165 178.679 176.600 -0.143 0.000 0.982 1072 E CA 0.834 57.157 56.400 -0.128 0.000 0.803 1072 E CB -0.049 29.578 29.700 -0.122 0.000 0.755 1072 E HN 0.416 nan 8.360 nan 0.000 0.453 1073 L N 0.301 121.401 121.223 -0.206 0.000 2.056 1073 L HA -0.190 4.158 4.340 0.014 0.000 0.207 1073 L C 2.245 179.035 176.870 -0.133 0.000 1.078 1073 L CA 0.447 55.161 54.840 -0.210 0.000 0.749 1073 L CB -0.243 41.591 42.059 -0.374 0.000 0.901 1073 L HN 0.166 nan 8.230 nan 0.000 0.433 1074 L N -0.133 121.019 121.223 -0.118 0.000 2.005 1074 L HA -0.187 4.161 4.340 0.014 0.000 0.207 1074 L C 2.486 179.320 176.870 -0.059 0.000 1.072 1074 L CA 1.689 56.488 54.840 -0.068 0.000 0.744 1074 L CB -0.787 41.217 42.059 -0.090 0.000 0.895 1074 L HN 0.212 nan 8.230 nan 0.000 0.433 1075 E N -0.995 119.162 120.200 -0.072 0.000 2.219 1075 E HA -0.285 4.074 4.350 0.014 0.000 0.198 1075 E C 1.986 178.562 176.600 -0.040 0.000 0.998 1075 E CA 1.255 57.626 56.400 -0.047 0.000 0.818 1075 E CB 0.087 29.758 29.700 -0.048 0.000 0.741 1075 E HN 0.422 nan 8.360 nan 0.000 0.477 1076 E N 0.377 120.546 120.200 -0.052 0.000 2.060 1076 E HA -0.029 4.330 4.350 0.014 0.000 0.189 1076 E C 1.857 178.436 176.600 -0.035 0.000 0.974 1076 E CA 1.061 57.434 56.400 -0.045 0.000 0.808 1076 E CB -0.123 29.541 29.700 -0.058 0.000 0.768 1076 E HN 0.190 nan 8.360 nan 0.000 0.453 1077 A N 0.160 122.958 122.820 -0.037 0.000 1.972 1077 A HA -0.106 4.222 4.320 0.014 0.000 0.219 1077 A C 2.369 179.945 177.584 -0.013 0.000 1.169 1077 A CA 1.475 53.498 52.037 -0.024 0.000 0.635 1077 A CB -0.570 18.417 19.000 -0.022 0.000 0.810 1077 A HN 0.212 nan 8.150 nan 0.000 0.446 1078 V N -0.543 119.363 119.914 -0.013 0.000 2.323 1078 V HA -0.193 3.935 4.120 0.014 0.000 0.244 1078 V C 2.570 178.663 176.094 -0.002 0.000 1.041 1078 V CA 2.124 64.422 62.300 -0.004 0.000 1.025 1078 V CB -0.708 31.114 31.823 -0.001 0.000 0.656 1078 V HN 0.585 nan 8.190 nan 0.000 0.451 1079 R N 0.387 120.883 120.500 -0.007 0.000 2.091 1079 R HA -0.178 4.170 4.340 0.014 0.000 0.238 1079 R C 2.224 178.521 176.300 -0.004 0.000 1.136 1079 R CA 1.880 57.977 56.100 -0.005 0.000 0.959 1079 R CB -0.275 30.020 30.300 -0.010 0.000 0.856 1079 R HN 0.525 nan 8.270 nan 0.000 0.437 1080 N N 0.034 118.730 118.700 -0.007 0.000 2.166 1080 N HA -0.079 4.670 4.740 0.014 0.000 0.186 1080 N C 0.367 175.877 175.510 0.001 0.000 1.019 1080 N CA 1.250 54.297 53.050 -0.005 0.000 0.856 1080 N CB -0.190 38.292 38.487 -0.008 0.000 0.993 1080 N HN 0.241 nan 8.380 nan 0.000 0.426 1081 A N 0.000 122.821 122.820 0.002 0.000 2.254 1081 A HA 0.000 4.329 4.320 0.014 0.000 0.244 1081 A CA 0.000 52.042 52.037 0.008 0.000 0.836 1081 A CB 0.000 19.006 19.000 0.010 0.000 0.831 1081 A HN 0.000 nan 8.150 nan 0.000 0.486