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 1zuc_1_A DATA FIRST_RESID 682 DATA SEQUENCE QLIPPLINLL MSIEPDVIYA GHDNTKPDTS SSLLTSLNQL GERQLLSVVK DATA SEQUENCE WSKSLPGFRN LHIDDQITLI QYSWMSLMVF GLGWRSYKHV SGQMLYFAPD DATA SEQUENCE LILNEQRMKE SSFYSLCLTM WQIPQEFVKL QVSQEEFLCM KVLLLLNTIP DATA SEQUENCE LEGLRSQTQF EEMRSSYIRE LIKAIGLRQK GVVSSSQRFY QLTKLLDNLH DATA SEQUENCE DLVKQLHLYC LNTFIQSRAL SVEFPEMMSE VIAAQLPKIL AGMVKPLLFH DATA SEQUENCE K 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 682 Q HA 0.000 nan 4.340 nan 0.000 0.214 682 Q C 0.000 176.003 176.000 0.005 0.000 1.003 682 Q CA 0.000 55.806 55.803 0.005 0.000 1.022 682 Q CB 0.000 28.741 28.738 0.004 0.000 1.108 683 L N 1.512 122.739 121.223 0.006 0.000 2.162 683 L HA 0.147 4.488 4.340 0.001 0.000 0.205 683 L C 0.968 177.843 176.870 0.009 0.000 1.086 683 L CA 0.584 55.428 54.840 0.007 0.000 0.778 683 L CB 0.138 42.202 42.059 0.008 0.000 0.928 683 L HN 0.149 nan 8.230 nan 0.000 0.446 684 I N 1.954 122.530 120.570 0.011 0.000 2.436 684 I HA 0.137 4.307 4.170 0.001 0.000 0.289 684 I C -1.946 174.177 176.117 0.010 0.000 1.083 684 I CA -1.869 59.440 61.300 0.014 0.000 1.372 684 I CB -0.099 37.912 38.000 0.018 0.000 1.408 684 I HN -0.176 nan 8.210 nan 0.000 0.516 685 P HA 0.070 nan 4.420 nan 0.000 0.264 685 P C -1.949 175.353 177.300 0.002 0.000 1.183 685 P CA -0.784 62.316 63.100 -0.000 0.000 0.763 685 P CB -0.001 31.696 31.700 -0.005 0.000 0.807 686 P HA -0.162 nan 4.420 nan 0.000 0.216 686 P C 1.401 178.703 177.300 0.003 0.000 1.150 686 P CA 0.720 63.820 63.100 0.001 0.000 0.837 686 P CB -0.084 31.612 31.700 -0.006 0.000 0.786 687 L N -0.706 120.511 121.223 -0.010 0.000 2.046 687 L HA -0.112 4.229 4.340 0.001 0.000 0.208 687 L C 2.103 178.995 176.870 0.036 0.000 1.077 687 L CA 1.722 56.559 54.840 -0.005 0.000 0.747 687 L CB -1.172 40.848 42.059 -0.065 0.000 0.896 687 L HN -0.108 nan 8.230 nan 0.000 0.432 688 I N -0.374 120.215 120.570 0.032 0.000 2.315 688 I HA -0.275 3.896 4.170 0.001 0.000 0.248 688 I C 2.223 178.369 176.117 0.049 0.000 1.117 688 I CA 1.367 62.697 61.300 0.049 0.000 1.404 688 I CB -0.446 37.576 38.000 0.037 0.000 1.071 688 I HN 0.409 nan 8.210 nan 0.000 0.419 689 N N 1.428 120.151 118.700 0.038 0.000 2.120 689 N HA -0.220 4.521 4.740 0.001 0.000 0.188 689 N C 1.921 177.460 175.510 0.049 0.000 1.024 689 N CA 1.272 54.345 53.050 0.039 0.000 0.852 689 N CB -0.195 38.309 38.487 0.028 0.000 1.003 689 N HN 0.292 nan 8.380 nan 0.000 0.424 690 L N 0.134 121.386 121.223 0.048 0.000 2.012 690 L HA -0.119 4.222 4.340 0.001 0.000 0.210 690 L C 2.040 178.959 176.870 0.081 0.000 1.073 690 L CA 1.178 56.051 54.840 0.055 0.000 0.748 690 L CB -0.299 41.787 42.059 0.045 0.000 0.891 690 L HN 0.281 nan 8.230 nan 0.000 0.431 691 L N -0.944 120.339 121.223 0.099 0.000 2.079 691 L HA -0.288 4.053 4.340 0.001 0.000 0.210 691 L C 2.655 179.605 176.870 0.133 0.000 1.081 691 L CA 1.633 56.557 54.840 0.140 0.000 0.752 691 L CB -0.437 41.707 42.059 0.142 0.000 0.896 691 L HN 0.395 nan 8.230 nan 0.000 0.433 692 M N -0.615 119.040 119.600 0.091 0.000 2.117 692 M HA -0.188 4.293 4.480 0.001 0.000 0.262 692 M C 2.604 178.959 176.300 0.091 0.000 1.065 692 M CA 2.161 57.509 55.300 0.080 0.000 1.114 692 M CB -0.461 32.175 32.600 0.061 0.000 1.361 692 M HN 0.385 nan 8.290 nan 0.000 0.408 693 S N 1.035 116.787 115.700 0.086 0.000 2.423 693 S HA -0.089 4.382 4.470 0.001 0.000 0.231 693 S C 1.566 176.229 174.600 0.105 0.000 1.014 693 S CA 0.950 59.200 58.200 0.083 0.000 0.965 693 S CB -0.869 62.370 63.200 0.065 0.000 0.785 693 S HN 0.684 nan 8.310 nan 0.000 0.495 694 I N -1.173 119.482 120.570 0.141 0.000 3.883 694 I HA 0.422 4.592 4.170 0.001 0.000 0.326 694 I C 0.424 176.714 176.117 0.289 0.000 1.283 694 I CA -0.483 60.933 61.300 0.194 0.000 1.161 694 I CB -0.294 37.808 38.000 0.169 0.000 1.012 694 I HN 0.021 nan 8.210 nan 0.000 0.421 695 E N 3.466 123.791 120.200 0.209 0.000 2.414 695 E HA 0.219 4.570 4.350 0.001 0.000 0.263 695 E C -2.102 174.560 176.600 0.103 0.000 1.000 695 E CA -1.493 54.985 56.400 0.130 0.000 0.914 695 E CB 0.296 30.048 29.700 0.087 0.000 0.948 695 E HN 0.181 nan 8.360 nan 0.000 0.444 696 P HA 0.042 nan 4.420 nan 0.000 0.268 696 P C -0.829 176.514 177.300 0.073 0.000 1.208 696 P CA -0.093 63.046 63.100 0.066 0.000 0.777 696 P CB 0.508 32.223 31.700 0.025 0.000 0.875 697 D N -0.030 120.420 120.400 0.082 0.000 2.361 697 D HA 0.053 4.693 4.640 0.001 0.000 0.239 697 D C -0.176 176.168 176.300 0.073 0.000 1.200 697 D CA -0.097 53.953 54.000 0.083 0.000 0.915 697 D CB 0.402 41.258 40.800 0.094 0.000 1.170 697 D HN -0.048 nan 8.370 nan 0.000 0.444 698 V N 2.315 122.267 119.914 0.063 0.000 2.625 698 V HA -0.062 4.059 4.120 0.001 0.000 0.305 698 V C 0.457 176.552 176.094 0.002 0.000 1.055 698 V CA 0.771 63.071 62.300 -0.001 0.000 1.209 698 V CB -0.225 31.567 31.823 -0.052 0.000 0.877 698 V HN 0.303 nan 8.190 nan 0.000 0.489 699 I N 6.017 126.559 120.570 -0.046 0.000 2.362 699 I HA 0.375 4.545 4.170 0.001 0.000 0.289 699 I C -0.605 175.460 176.117 -0.087 0.000 0.994 699 I CA -0.559 60.753 61.300 0.019 0.000 1.158 699 I CB 1.201 39.238 38.000 0.062 0.000 1.315 699 I HN 0.462 nan 8.210 nan 0.000 0.451 700 Y N 3.721 124.046 120.300 0.043 0.000 2.299 700 Y HA 0.315 4.866 4.550 0.002 0.000 0.326 700 Y C 1.249 177.169 175.900 0.034 0.000 1.164 700 Y CA -0.252 57.865 58.100 0.027 0.000 1.234 700 Y CB 1.438 39.911 38.460 0.023 0.000 1.219 700 Y HN 0.660 nan 8.280 nan 0.000 0.497 701 A N 2.219 125.136 122.820 0.161 0.000 2.067 701 A HA 0.232 4.553 4.320 0.001 0.000 0.217 701 A C 1.821 179.483 177.584 0.130 0.000 1.156 701 A CA 0.864 52.971 52.037 0.117 0.000 0.683 701 A CB -1.130 17.911 19.000 0.069 0.000 0.808 701 A HN 1.459 nan 8.150 nan 0.000 0.455 702 G N -0.836 108.058 108.800 0.156 0.000 2.198 702 G HA2 -0.285 3.675 3.960 0.001 0.000 0.257 702 G HA3 -0.285 3.675 3.960 0.001 0.000 0.257 702 G C 0.042 174.989 174.900 0.078 0.000 1.042 702 G CA 0.430 45.585 45.100 0.091 0.000 0.791 702 G HN 0.954 nan 8.290 nan 0.000 0.502 703 H N 0.738 119.818 119.070 0.017 0.000 2.525 703 H HA 0.372 4.929 4.556 0.001 0.000 0.339 703 H C -0.339 174.983 175.328 -0.011 0.000 1.109 703 H CA 0.311 56.353 56.048 -0.009 0.000 1.352 703 H CB 0.900 30.648 29.762 -0.023 0.000 1.461 703 H HN 0.279 nan 8.280 nan 0.000 0.533 704 D N 3.978 123.964 120.400 -0.691 0.000 2.517 704 D HA 0.061 4.702 4.640 0.001 0.000 0.220 704 D C 0.629 176.685 176.300 -0.408 0.000 1.158 704 D CA -0.301 53.446 54.000 -0.423 0.000 0.992 704 D CB -0.116 40.491 40.800 -0.321 0.000 1.058 704 D HN 0.532 nan 8.370 nan 0.000 0.516 705 N N 0.315 118.957 118.700 -0.096 0.000 2.223 705 N HA -0.209 4.532 4.740 0.001 0.000 0.185 705 N C 1.943 177.455 175.510 0.003 0.000 1.016 705 N CA 1.296 54.385 53.050 0.065 0.000 0.863 705 N CB 0.023 38.578 38.487 0.113 0.000 0.983 705 N HN 0.430 nan 8.380 nan 0.000 0.429 706 T N 0.856 115.390 114.554 -0.033 0.000 2.481 706 T HA -0.286 4.064 4.350 0.001 0.000 0.252 706 T C 0.464 175.147 174.700 -0.029 0.000 1.242 706 T CA 1.365 63.447 62.100 -0.031 0.000 1.170 706 T CB -0.411 68.430 68.868 -0.044 0.000 0.860 706 T HN 0.130 nan 8.240 nan 0.000 0.422 707 K N 2.601 122.970 120.400 -0.051 0.000 2.382 707 K HA 0.310 4.631 4.320 0.001 0.000 0.275 707 K C -2.481 174.107 176.600 -0.020 0.000 1.009 707 K CA -1.504 54.759 56.287 -0.040 0.000 0.970 707 K CB 0.398 32.863 32.500 -0.058 0.000 0.934 707 K HN 0.338 nan 8.250 nan 0.000 0.479 708 P HA -0.085 nan 4.420 nan 0.000 0.265 708 P C -1.135 176.174 177.300 0.015 0.000 1.187 708 P CA -0.049 63.057 63.100 0.010 0.000 0.766 708 P CB 0.306 32.009 31.700 0.005 0.000 0.820 709 D N 0.179 120.602 120.400 0.039 0.000 2.256 709 D HA 0.332 4.973 4.640 0.001 0.000 0.250 709 D C -0.147 176.160 176.300 0.011 0.000 1.093 709 D CA -0.556 53.473 54.000 0.049 0.000 0.882 709 D CB 0.278 41.136 40.800 0.097 0.000 1.185 709 D HN 0.290 nan 8.370 nan 0.000 0.437 710 T N -0.957 113.593 114.554 -0.007 0.000 2.936 710 T HA 0.326 4.677 4.350 0.001 0.000 0.282 710 T C 1.084 175.740 174.700 -0.072 0.000 1.003 710 T CA -0.786 61.297 62.100 -0.029 0.000 1.005 710 T CB 1.411 70.263 68.868 -0.026 0.000 1.097 710 T HN 0.316 nan 8.240 nan 0.000 0.532 711 S N 0.290 115.938 115.700 -0.086 0.000 2.382 711 S HA -0.145 4.326 4.470 0.001 0.000 0.228 711 S C 2.215 176.717 174.600 -0.163 0.000 1.027 711 S CA 1.863 59.966 58.200 -0.162 0.000 0.991 711 S CB -0.950 62.191 63.200 -0.099 0.000 0.823 711 S HN 0.894 nan 8.310 nan 0.000 0.469 712 S N 0.882 116.529 115.700 -0.089 0.000 2.387 712 S HA -0.072 4.398 4.470 0.001 0.000 0.226 712 S C 2.069 176.622 174.600 -0.079 0.000 1.026 712 S CA 1.491 59.649 58.200 -0.070 0.000 0.972 712 S CB -0.754 62.426 63.200 -0.034 0.000 0.814 712 S HN 0.658 nan 8.310 nan 0.000 0.477 713 S N 1.458 117.119 115.700 -0.064 0.000 2.406 713 S HA 0.046 4.517 4.470 0.001 0.000 0.228 713 S C 1.862 176.447 174.600 -0.026 0.000 1.020 713 S CA 0.750 58.927 58.200 -0.037 0.000 0.965 713 S CB -0.719 62.471 63.200 -0.018 0.000 0.798 713 S HN 0.376 nan 8.310 nan 0.000 0.488 714 L N 1.553 122.723 121.223 -0.089 0.000 2.056 714 L HA 0.238 4.579 4.340 0.001 0.000 0.207 714 L C 2.261 178.978 176.870 -0.255 0.000 1.078 714 L CA 1.481 56.211 54.840 -0.183 0.000 0.749 714 L CB -0.977 40.900 42.059 -0.303 0.000 0.901 714 L HN 0.376 nan 8.230 nan 0.000 0.433 715 L N -1.380 119.683 121.223 -0.267 0.000 2.046 715 L HA -0.204 4.137 4.340 0.001 0.000 0.208 715 L C 2.322 179.069 176.870 -0.205 0.000 1.077 715 L CA 1.612 56.317 54.840 -0.225 0.000 0.747 715 L CB -1.055 40.911 42.059 -0.153 0.000 0.896 715 L HN 0.231 nan 8.230 nan 0.000 0.432 716 T N -0.943 113.513 114.554 -0.163 0.000 2.665 716 T HA -0.208 4.143 4.350 0.001 0.000 0.268 716 T C 2.168 176.810 174.700 -0.097 0.000 1.035 716 T CA 1.861 63.877 62.100 -0.139 0.000 1.151 716 T CB -0.163 68.657 68.868 -0.079 0.000 0.862 716 T HN 0.251 nan 8.240 nan 0.000 0.438 717 S N 0.908 116.578 115.700 -0.051 0.000 2.383 717 S HA 0.078 4.549 4.470 0.001 0.000 0.227 717 S C 2.001 176.557 174.600 -0.072 0.000 1.026 717 S CA 0.736 58.937 58.200 0.002 0.000 0.981 717 S CB -0.366 62.926 63.200 0.154 0.000 0.818 717 S HN 0.354 nan 8.310 nan 0.000 0.472 718 L N 1.533 122.661 121.223 -0.158 0.000 2.141 718 L HA -0.085 4.256 4.340 0.001 0.000 0.209 718 L C 2.035 178.866 176.870 -0.065 0.000 1.094 718 L CA 0.747 55.484 54.840 -0.172 0.000 0.763 718 L CB -0.505 41.400 42.059 -0.256 0.000 0.908 718 L HN 0.242 nan 8.230 nan 0.000 0.437 719 N N -0.393 118.244 118.700 -0.105 0.000 2.270 719 N HA -0.191 4.550 4.740 0.001 0.000 0.181 719 N C 1.842 177.355 175.510 0.006 0.000 1.016 719 N CA 0.839 53.841 53.050 -0.080 0.000 0.870 719 N CB -0.109 38.179 38.487 -0.331 0.000 0.979 719 N HN 0.279 nan 8.380 nan 0.000 0.431 720 Q N 0.928 120.724 119.800 -0.007 0.000 2.049 720 Q HA 0.003 4.344 4.340 0.001 0.000 0.198 720 Q C 1.940 177.978 176.000 0.063 0.000 0.971 720 Q CA 0.919 56.741 55.803 0.032 0.000 0.833 720 Q CB -0.563 28.190 28.738 0.025 0.000 0.896 720 Q HN 0.255 nan 8.270 nan 0.000 0.434 721 L N 0.077 121.333 121.223 0.056 0.000 2.042 721 L HA -0.013 4.328 4.340 0.001 0.000 0.210 721 L C 2.070 179.015 176.870 0.125 0.000 1.076 721 L CA 2.490 57.379 54.840 0.082 0.000 0.749 721 L CB -1.172 40.922 42.059 0.058 0.000 0.893 721 L HN 0.352 nan 8.230 nan 0.000 0.432 722 G N -1.398 107.494 108.800 0.152 0.000 2.422 722 G HA2 -0.341 3.619 3.960 0.001 0.000 0.218 722 G HA3 -0.341 3.619 3.960 0.001 0.000 0.218 722 G C 1.485 176.544 174.900 0.265 0.000 1.146 722 G CA 0.893 46.158 45.100 0.275 0.000 0.769 722 G HN 0.477 nan 8.290 nan 0.000 0.547 723 E N 0.578 120.877 120.200 0.164 0.000 2.077 723 E HA -0.069 4.281 4.350 0.001 0.000 0.193 723 E C 2.638 179.305 176.600 0.112 0.000 0.989 723 E CA 1.002 57.471 56.400 0.114 0.000 0.800 723 E CB -0.143 29.606 29.700 0.082 0.000 0.746 723 E HN 0.444 nan 8.360 nan 0.000 0.452 724 R N -0.278 120.290 120.500 0.114 0.000 2.073 724 R HA -0.034 4.307 4.340 0.001 0.000 0.229 724 R C 2.575 178.947 176.300 0.120 0.000 1.120 724 R CA 1.429 57.593 56.100 0.107 0.000 0.967 724 R CB -0.215 30.147 30.300 0.104 0.000 0.862 724 R HN 0.309 nan 8.270 nan 0.000 0.436 725 Q N 0.432 120.317 119.800 0.142 0.000 2.167 725 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 725 Q C 2.057 178.166 176.000 0.181 0.000 0.970 725 Q CA 0.880 56.773 55.803 0.150 0.000 0.855 725 Q CB -0.096 28.736 28.738 0.157 0.000 0.911 725 Q HN 0.150 nan 8.270 nan 0.000 0.438 726 L N 0.853 122.205 121.223 0.215 0.000 2.012 726 L HA -0.186 4.155 4.340 0.001 0.000 0.210 726 L C 2.107 179.057 176.870 0.132 0.000 1.073 726 L CA 1.463 56.417 54.840 0.190 0.000 0.748 726 L CB -0.806 41.307 42.059 0.090 0.000 0.891 726 L HN 0.231 nan 8.230 nan 0.000 0.431 727 L N -0.785 120.502 121.223 0.108 0.000 2.079 727 L HA -0.198 4.143 4.340 0.001 0.000 0.210 727 L C 2.741 179.680 176.870 0.115 0.000 1.081 727 L CA 2.208 57.106 54.840 0.097 0.000 0.752 727 L CB -0.893 41.215 42.059 0.083 0.000 0.896 727 L HN 0.582 nan 8.230 nan 0.000 0.433 728 S N -1.942 113.829 115.700 0.119 0.000 2.387 728 S HA -0.129 4.342 4.470 0.001 0.000 0.226 728 S C 1.948 176.645 174.600 0.161 0.000 1.026 728 S CA 1.161 59.435 58.200 0.123 0.000 0.972 728 S CB -1.065 62.190 63.200 0.092 0.000 0.814 728 S HN 0.241 nan 8.310 nan 0.000 0.477 729 V N 1.975 121.982 119.914 0.155 0.000 2.287 729 V HA -0.170 3.950 4.120 0.001 0.000 0.248 729 V C 2.731 178.991 176.094 0.277 0.000 1.053 729 V CA 1.936 64.373 62.300 0.227 0.000 1.027 729 V CB -0.861 31.082 31.823 0.200 0.000 0.646 729 V HN 0.499 nan 8.190 nan 0.000 0.447 730 V N -0.395 119.629 119.914 0.183 0.000 2.295 730 V HA -0.282 3.839 4.120 0.001 0.000 0.246 730 V C 2.406 178.581 176.094 0.135 0.000 1.049 730 V CA 2.095 64.480 62.300 0.141 0.000 1.024 730 V CB -0.785 31.105 31.823 0.112 0.000 0.648 730 V HN 0.531 nan 8.190 nan 0.000 0.447 731 K N -1.041 119.447 120.400 0.147 0.000 2.032 731 K HA -0.271 4.050 4.320 0.001 0.000 0.209 731 K C 1.961 178.658 176.600 0.162 0.000 1.048 731 K CA 2.147 58.516 56.287 0.136 0.000 0.927 731 K CB -0.416 32.161 32.500 0.128 0.000 0.712 731 K HN 0.619 nan 8.250 nan 0.000 0.441 732 W N 2.304 123.602 121.300 -0.003 0.000 2.318 732 W HA -0.300 4.360 4.660 -0.001 0.000 0.313 732 W C 2.346 178.823 176.519 -0.071 0.000 1.221 732 W CA 2.554 59.882 57.345 -0.030 0.000 1.266 732 W CB -0.584 28.852 29.460 -0.040 0.000 1.150 732 W HN 0.136 nan 8.180 nan 0.000 0.496 733 S N 0.123 115.710 115.700 -0.189 0.000 2.442 733 S HA -0.189 4.282 4.470 0.001 0.000 0.236 733 S C 1.665 176.125 174.600 -0.233 0.000 1.007 733 S CA 1.452 59.284 58.200 -0.615 0.000 0.965 733 S CB -0.587 62.214 63.200 -0.665 0.000 0.773 733 S HN 0.469 nan 8.310 nan 0.000 0.504 734 K N 0.933 121.297 120.400 -0.059 0.000 2.288 734 K HA 0.158 4.479 4.320 0.001 0.000 0.201 734 K C 1.503 178.093 176.600 -0.017 0.000 1.048 734 K CA 1.089 57.390 56.287 0.022 0.000 0.956 734 K CB -0.090 32.437 32.500 0.045 0.000 0.746 734 K HN 0.370 nan 8.250 nan 0.000 0.461 735 S N 0.668 116.319 115.700 -0.082 0.000 2.524 735 S HA 0.075 4.546 4.470 0.001 0.000 0.215 735 S C 0.116 174.629 174.600 -0.144 0.000 0.986 735 S CA -0.441 57.713 58.200 -0.076 0.000 0.911 735 S CB 0.176 63.357 63.200 -0.031 0.000 0.805 735 S HN 0.107 nan 8.310 nan 0.000 0.501 736 L N 4.365 125.407 121.223 -0.302 0.000 2.433 736 L HA 0.340 4.681 4.340 0.001 0.000 0.275 736 L C -2.820 174.001 176.870 -0.082 0.000 1.128 736 L CA -2.140 52.482 54.840 -0.364 0.000 0.875 736 L CB -0.188 41.398 42.059 -0.788 0.000 1.171 736 L HN -0.151 nan 8.230 nan 0.000 0.463 737 P HA 0.211 nan 4.420 nan 0.000 0.261 737 P C 0.680 178.072 177.300 0.154 0.000 1.183 737 P CA 0.996 64.147 63.100 0.086 0.000 0.761 737 P CB 0.663 32.412 31.700 0.080 0.000 0.785 738 G N 2.680 111.542 108.800 0.103 0.000 2.317 738 G HA2 -0.374 3.587 3.960 0.001 0.000 0.227 738 G HA3 -0.374 3.587 3.960 0.001 0.000 0.227 738 G C 0.890 175.853 174.900 0.104 0.000 1.042 738 G CA 0.163 45.328 45.100 0.108 0.000 0.623 738 G HN 0.480 nan 8.290 nan 0.000 0.509 739 F N 3.043 122.971 119.950 -0.036 0.000 2.146 739 F HA 0.057 4.584 4.527 -0.001 0.000 0.298 739 F C 2.841 178.621 175.800 -0.034 0.000 1.096 739 F CA 2.160 60.126 58.000 -0.056 0.000 1.275 739 F CB -0.173 38.735 39.000 -0.152 0.000 1.008 739 F HN 0.345 nan 8.300 nan 0.000 0.480 740 R N 0.038 120.571 120.500 0.054 0.000 2.241 740 R HA -0.106 4.235 4.340 0.001 0.000 0.224 740 R C 1.155 177.404 176.300 -0.084 0.000 1.101 740 R CA 1.846 57.933 56.100 -0.021 0.000 0.995 740 R CB -1.256 29.060 30.300 0.026 0.000 0.870 740 R HN 0.375 nan 8.270 nan 0.000 0.463 741 N N 0.486 119.141 118.700 -0.076 0.000 2.467 741 N HA 0.104 4.844 4.740 0.001 0.000 0.184 741 N C -0.229 175.229 175.510 -0.086 0.000 1.106 741 N CA -0.125 52.886 53.050 -0.065 0.000 0.892 741 N CB 0.146 38.618 38.487 -0.026 0.000 0.969 741 N HN 0.099 nan 8.380 nan 0.000 0.454 742 L N 0.899 122.024 121.223 -0.164 0.000 2.436 742 L HA 0.103 4.444 4.340 0.001 0.000 0.265 742 L C 1.058 177.858 176.870 -0.117 0.000 1.168 742 L CA -0.623 54.127 54.840 -0.149 0.000 0.815 742 L CB 0.331 42.224 42.059 -0.277 0.000 1.109 742 L HN 0.323 nan 8.230 nan 0.000 0.462 743 H N 2.347 121.334 119.070 -0.138 0.000 3.115 743 H HA -0.050 4.509 4.556 0.005 0.000 0.324 743 H C 1.052 176.293 175.328 -0.145 0.000 1.007 743 H CA 0.650 56.628 56.048 -0.116 0.000 1.385 743 H CB 0.838 30.543 29.762 -0.096 0.000 1.351 743 H HN 0.551 nan 8.280 nan 0.000 0.592 744 I N 3.441 123.884 120.570 -0.211 0.000 2.248 744 I HA -0.332 3.839 4.170 0.001 0.000 0.248 744 I C 1.795 177.932 176.117 0.032 0.000 1.107 744 I CA 1.277 62.517 61.300 -0.101 0.000 1.373 744 I CB -0.197 37.721 38.000 -0.137 0.000 1.055 744 I HN 0.581 nan 8.210 nan 0.000 0.418 745 D N 0.863 121.417 120.400 0.256 0.000 2.117 745 D HA -0.169 4.472 4.640 0.001 0.000 0.197 745 D C 1.774 178.066 176.300 -0.013 0.000 0.987 745 D CA 1.235 55.305 54.000 0.117 0.000 0.829 745 D CB -0.357 40.493 40.800 0.083 0.000 0.961 745 D HN 0.326 nan 8.370 nan 0.000 0.460 746 D N 0.549 120.936 120.400 -0.022 0.000 2.117 746 D HA -0.111 4.530 4.640 0.001 0.000 0.198 746 D C 2.136 178.351 176.300 -0.142 0.000 0.982 746 D CA 0.675 54.596 54.000 -0.131 0.000 0.828 746 D CB -0.286 40.431 40.800 -0.139 0.000 0.967 746 D HN 0.339 nan 8.370 nan 0.000 0.464 747 Q N 0.197 119.889 119.800 -0.179 0.000 2.030 747 Q HA -0.123 4.218 4.340 0.001 0.000 0.204 747 Q C 2.486 178.564 176.000 0.130 0.000 0.986 747 Q CA 0.970 56.677 55.803 -0.160 0.000 0.843 747 Q CB -0.128 28.484 28.738 -0.210 0.000 0.904 747 Q HN 0.339 nan 8.270 nan 0.000 0.420 748 I N 0.293 120.888 120.570 0.041 0.000 2.163 748 I HA -0.296 3.874 4.170 0.001 0.000 0.243 748 I C 2.305 178.405 176.117 -0.028 0.000 1.085 748 I CA 1.290 62.610 61.300 0.033 0.000 1.347 748 I CB -0.502 37.499 38.000 0.001 0.000 1.044 748 I HN 0.239 nan 8.210 nan 0.000 0.408 749 T N 1.414 115.884 114.554 -0.140 0.000 2.684 749 T HA -0.177 4.174 4.350 0.001 0.000 0.267 749 T C 1.933 176.377 174.700 -0.428 0.000 1.036 749 T CA 1.464 63.330 62.100 -0.390 0.000 1.148 749 T CB -0.382 68.191 68.868 -0.492 0.000 0.863 749 T HN 0.237 nan 8.240 nan 0.000 0.436 750 L N 0.005 121.145 121.223 -0.139 0.000 2.046 750 L HA -0.023 4.318 4.340 0.001 0.000 0.208 750 L C 2.448 179.432 176.870 0.191 0.000 1.077 750 L CA 1.127 56.015 54.840 0.080 0.000 0.747 750 L CB -0.534 41.708 42.059 0.305 0.000 0.896 750 L HN 0.271 nan 8.230 nan 0.000 0.432 751 I N -0.707 119.988 120.570 0.209 0.000 2.202 751 I HA -0.291 3.879 4.170 0.001 0.000 0.242 751 I C 2.640 178.897 176.117 0.233 0.000 1.091 751 I CA 1.293 62.721 61.300 0.214 0.000 1.368 751 I CB -0.282 37.832 38.000 0.190 0.000 1.058 751 I HN 0.321 nan 8.210 nan 0.000 0.410 752 Q N -0.299 119.592 119.800 0.153 0.000 2.124 752 Q HA -0.210 4.131 4.340 0.001 0.000 0.202 752 Q C 2.232 178.453 176.000 0.368 0.000 0.977 752 Q CA 1.464 57.373 55.803 0.178 0.000 0.850 752 Q CB -0.160 28.617 28.738 0.065 0.000 0.901 752 Q HN 0.480 nan 8.270 nan 0.000 0.429 753 Y N 0.398 120.796 120.300 0.164 0.000 2.242 753 Y HA -0.129 4.415 4.550 -0.010 0.000 0.291 753 Y C 2.589 178.635 175.900 0.243 0.000 1.137 753 Y CA 1.295 59.498 58.100 0.171 0.000 1.181 753 Y CB -0.524 38.014 38.460 0.130 0.000 0.989 753 Y HN 0.170 nan 8.280 nan 0.000 0.527 754 S N -1.992 113.952 115.700 0.407 0.000 2.540 754 S HA -0.048 4.423 4.470 0.001 0.000 0.218 754 S C 1.610 176.368 174.600 0.263 0.000 0.977 754 S CA -0.112 58.259 58.200 0.285 0.000 0.918 754 S CB -0.861 62.469 63.200 0.216 0.000 0.806 754 S HN 0.515 nan 8.310 nan 0.000 0.496 755 W N 2.725 124.125 121.300 0.167 0.000 2.301 755 W HA -0.272 4.387 4.660 -0.002 0.000 0.325 755 W C 1.876 178.474 176.519 0.131 0.000 1.250 755 W CA 2.110 59.535 57.345 0.134 0.000 1.261 755 W CB -0.692 28.847 29.460 0.132 0.000 1.157 755 W HN 0.356 nan 8.180 nan 0.000 0.473 756 M N 1.835 121.121 119.600 -0.522 0.000 2.080 756 M HA -0.184 4.296 4.480 0.001 0.000 0.260 756 M C 2.576 178.672 176.300 -0.340 0.000 1.068 756 M CA 2.935 57.803 55.300 -0.720 0.000 1.109 756 M CB -1.100 31.191 32.600 -0.515 0.000 1.342 756 M HN 0.254 nan 8.290 nan 0.000 0.405 757 S N -0.305 115.292 115.700 -0.173 0.000 2.382 757 S HA -0.137 4.334 4.470 0.001 0.000 0.228 757 S C 1.989 176.548 174.600 -0.068 0.000 1.027 757 S CA 1.496 59.619 58.200 -0.129 0.000 0.991 757 S CB -1.195 61.935 63.200 -0.116 0.000 0.823 757 S HN 0.613 nan 8.310 nan 0.000 0.469 758 L N 0.261 121.451 121.223 -0.054 0.000 2.056 758 L HA -0.021 4.320 4.340 0.001 0.000 0.207 758 L C 2.966 179.843 176.870 0.012 0.000 1.078 758 L CA 1.438 56.265 54.840 -0.021 0.000 0.749 758 L CB -0.576 41.456 42.059 -0.045 0.000 0.901 758 L HN 0.343 nan 8.230 nan 0.000 0.433 759 M N -1.102 118.456 119.600 -0.070 0.000 2.086 759 M HA -0.200 4.280 4.480 0.001 0.000 0.261 759 M C 2.403 178.696 176.300 -0.012 0.000 1.067 759 M CA 1.469 56.737 55.300 -0.052 0.000 1.116 759 M CB -0.354 32.155 32.600 -0.151 0.000 1.348 759 M HN 0.110 nan 8.290 nan 0.000 0.407 760 V N -0.252 119.635 119.914 -0.045 0.000 2.515 760 V HA -0.241 3.879 4.120 0.001 0.000 0.250 760 V C 2.054 178.181 176.094 0.056 0.000 1.058 760 V CA 1.627 63.904 62.300 -0.038 0.000 1.064 760 V CB -0.418 31.352 31.823 -0.089 0.000 0.675 760 V HN 0.353 nan 8.190 nan 0.000 0.461 761 F N 1.585 121.522 119.950 -0.022 0.000 2.113 761 F HA 0.056 4.587 4.527 0.007 0.000 0.297 761 F C 2.211 178.201 175.800 0.317 0.000 1.103 761 F CA 1.717 59.796 58.000 0.131 0.000 1.248 761 F CB -0.967 38.100 39.000 0.112 0.000 0.999 761 F HN 0.206 nan 8.300 nan 0.000 0.475 762 G N 0.325 109.322 108.800 0.328 0.000 2.440 762 G HA2 -0.295 3.666 3.960 0.001 0.000 0.218 762 G HA3 -0.295 3.666 3.960 0.001 0.000 0.218 762 G C 1.648 176.626 174.900 0.129 0.000 1.154 762 G CA 1.003 46.268 45.100 0.276 0.000 0.767 762 G HN 0.436 nan 8.290 nan 0.000 0.552 763 L N 1.595 122.828 121.223 0.017 0.000 2.042 763 L HA 0.097 4.438 4.340 0.001 0.000 0.210 763 L C 2.704 179.468 176.870 -0.177 0.000 1.076 763 L CA 2.586 57.341 54.840 -0.141 0.000 0.749 763 L CB -1.005 40.879 42.059 -0.291 0.000 0.893 763 L HN 0.141 nan 8.230 nan 0.000 0.432 764 G N -0.961 107.742 108.800 -0.162 0.000 2.418 764 G HA2 -0.322 3.638 3.960 0.001 0.000 0.217 764 G HA3 -0.322 3.638 3.960 0.001 0.000 0.217 764 G C 1.470 176.377 174.900 0.011 0.000 1.158 764 G CA 0.697 45.638 45.100 -0.264 0.000 0.771 764 G HN 0.654 nan 8.290 nan 0.000 0.545 765 W N 1.591 122.864 121.300 -0.045 0.000 2.333 765 W HA -0.101 4.561 4.660 0.003 0.000 0.316 765 W C 2.706 179.105 176.519 -0.199 0.000 1.215 765 W CA 1.440 58.643 57.345 -0.236 0.000 1.278 765 W CB -0.111 28.731 29.460 -1.029 0.000 1.154 765 W HN 0.176 nan 8.180 nan 0.000 0.486 766 R N 0.172 120.594 120.500 -0.130 0.000 2.091 766 R HA -0.145 4.196 4.340 0.001 0.000 0.238 766 R C 2.441 178.592 176.300 -0.249 0.000 1.136 766 R CA 2.060 58.049 56.100 -0.186 0.000 0.959 766 R CB -0.780 29.517 30.300 -0.006 0.000 0.856 766 R HN 0.073 nan 8.270 nan 0.000 0.437 767 S N 0.361 115.964 115.700 -0.162 0.000 2.368 767 S HA -0.185 4.286 4.470 0.001 0.000 0.225 767 S C 1.606 176.136 174.600 -0.117 0.000 1.030 767 S CA 1.197 59.321 58.200 -0.127 0.000 0.999 767 S CB -0.469 62.610 63.200 -0.200 0.000 0.844 767 S HN 0.365 nan 8.310 nan 0.000 0.459 768 Y N 2.981 123.109 120.300 -0.286 0.000 2.053 768 Y HA -0.183 4.368 4.550 0.002 0.000 0.277 768 Y C 2.061 177.669 175.900 -0.486 0.000 1.159 768 Y CA 1.514 59.422 58.100 -0.320 0.000 1.125 768 Y CB -0.470 37.817 38.460 -0.289 0.000 0.969 768 Y HN 0.006 nan 8.280 nan 0.000 0.492 769 K N -0.741 119.105 120.400 -0.923 0.000 2.057 769 K HA -0.155 4.166 4.320 0.001 0.000 0.206 769 K C 2.038 178.120 176.600 -0.862 0.000 1.050 769 K CA 1.847 57.453 56.287 -1.135 0.000 0.935 769 K CB -0.620 31.072 32.500 -1.347 0.000 0.715 769 K HN 0.580 nan 8.250 nan 0.000 0.439 770 H N -0.636 118.085 119.070 -0.581 0.000 2.520 770 H HA 0.055 4.612 4.556 0.001 0.000 0.279 770 H C 1.327 176.500 175.328 -0.258 0.000 0.990 770 H CA 1.132 56.887 56.048 -0.488 0.000 1.288 770 H CB 0.739 29.973 29.762 -0.881 0.000 1.446 770 H HN 0.009 nan 8.280 nan 0.000 0.538 771 V N -2.768 117.090 119.914 -0.094 0.000 3.070 771 V HA 0.294 4.415 4.120 0.001 0.000 0.355 771 V C 0.534 176.621 176.094 -0.011 0.000 1.400 771 V CA -0.355 61.943 62.300 -0.002 0.000 1.170 771 V CB 0.382 32.258 31.823 0.088 0.000 1.169 771 V HN 0.134 nan 8.190 nan 0.000 0.554 772 S N 1.351 117.004 115.700 -0.078 0.000 3.477 772 S HA -0.210 4.261 4.470 0.001 0.000 0.357 772 S C 1.769 176.406 174.600 0.062 0.000 1.083 772 S CA 1.736 59.918 58.200 -0.030 0.000 1.042 772 S CB -1.626 61.559 63.200 -0.024 0.000 0.911 772 S HN 2.476 nan 8.310 nan 0.000 0.490 773 G N -0.204 108.641 108.800 0.076 0.000 2.189 773 G HA2 -0.354 3.607 3.960 0.001 0.000 0.267 773 G HA3 -0.354 3.607 3.960 0.001 0.000 0.267 773 G C 0.488 175.558 174.900 0.283 0.000 0.975 773 G CA 0.634 45.818 45.100 0.140 0.000 0.644 773 G HN 0.582 nan 8.290 nan 0.000 0.537 774 Q N -0.806 119.132 119.800 0.230 0.000 2.360 774 Q HA 0.407 4.747 4.340 0.001 0.000 0.202 774 Q C 1.359 177.630 176.000 0.451 0.000 0.915 774 Q CA 0.777 56.757 55.803 0.294 0.000 0.943 774 Q CB 0.309 29.126 28.738 0.131 0.000 1.064 774 Q HN 0.745 nan 8.270 nan 0.000 0.511 775 M N -0.064 119.722 119.600 0.311 0.000 2.631 775 M HA 0.420 4.901 4.480 0.001 0.000 0.288 775 M C -0.962 175.195 176.300 -0.240 0.000 1.260 775 M CA -0.749 54.647 55.300 0.159 0.000 0.842 775 M CB 2.204 34.868 32.600 0.107 0.000 1.743 775 M HN -0.182 nan 8.290 nan 0.000 0.461 776 L N 1.790 122.701 121.223 -0.520 0.000 2.259 776 L HA 0.290 4.630 4.340 0.001 0.000 0.288 776 L C -1.141 175.443 176.870 -0.476 0.000 1.051 776 L CA -0.402 53.994 54.840 -0.740 0.000 0.824 776 L CB 0.169 41.603 42.059 -1.042 0.000 1.206 776 L HN 0.578 nan 8.230 nan 0.000 0.429 777 Y N 3.769 123.778 120.300 -0.485 0.000 2.724 777 Y HA 0.155 4.705 4.550 0.001 0.000 0.332 777 Y C 0.737 176.439 175.900 -0.330 0.000 1.276 777 Y CA -0.257 57.661 58.100 -0.304 0.000 1.597 777 Y CB -0.088 38.241 38.460 -0.218 0.000 1.584 777 Y HN 0.466 nan 8.280 nan 0.000 0.478 778 F N 2.319 122.158 119.950 -0.184 0.000 2.102 778 F HA 0.043 4.570 4.527 0.001 0.000 0.298 778 F C 1.496 177.204 175.800 -0.153 0.000 1.105 778 F CA 1.298 59.214 58.000 -0.140 0.000 1.239 778 F CB -0.168 38.741 39.000 -0.152 0.000 0.991 778 F HN 0.422 nan 8.300 nan 0.000 0.474 779 A N -1.784 120.931 122.820 -0.174 0.000 2.599 779 A HA 0.503 4.824 4.320 0.001 0.000 0.290 779 A C -2.138 175.029 177.584 -0.695 0.000 1.101 779 A CA -1.042 50.819 52.037 -0.294 0.000 0.674 779 A CB 0.271 19.186 19.000 -0.142 0.000 1.277 779 A HN -0.158 nan 8.150 nan 0.000 0.419 780 P HA -0.104 nan 4.420 nan 0.000 0.219 780 P C 0.302 177.440 177.300 -0.271 0.000 1.146 780 P CA 1.857 64.659 63.100 -0.496 0.000 0.808 780 P CB 0.083 31.569 31.700 -0.356 0.000 0.779 781 D N -2.031 118.294 120.400 -0.126 0.000 2.368 781 D HA 0.111 4.752 4.640 0.001 0.000 0.218 781 D C 0.067 176.337 176.300 -0.050 0.000 1.112 781 D CA -0.105 53.902 54.000 0.012 0.000 0.834 781 D CB -0.240 40.673 40.800 0.188 0.000 0.953 781 D HN 0.071 nan 8.370 nan 0.000 0.505 782 L N 0.969 122.087 121.223 -0.175 0.000 2.492 782 L HA 0.425 4.765 4.340 0.001 0.000 0.259 782 L C -1.739 175.033 176.870 -0.162 0.000 1.229 782 L CA -0.503 54.219 54.840 -0.196 0.000 0.903 782 L CB 0.902 42.852 42.059 -0.182 0.000 1.114 782 L HN -0.065 nan 8.230 nan 0.000 0.494 783 I N 4.111 124.577 120.570 -0.173 0.000 2.389 783 I HA 0.443 4.614 4.170 0.001 0.000 0.288 783 I C -0.710 175.394 176.117 -0.023 0.000 0.999 783 I CA -0.459 60.755 61.300 -0.144 0.000 1.129 783 I CB 1.600 39.474 38.000 -0.210 0.000 1.288 783 I HN 0.283 nan 8.210 nan 0.000 0.444 784 L N 6.508 127.757 121.223 0.042 0.000 2.329 784 L HA 0.530 4.871 4.340 0.001 0.000 0.279 784 L C -0.469 176.434 176.870 0.054 0.000 1.014 784 L CA -0.782 54.101 54.840 0.072 0.000 0.814 784 L CB 1.480 43.639 42.059 0.167 0.000 1.257 784 L HN 0.635 nan 8.230 nan 0.000 0.424 785 N N 0.040 118.818 118.700 0.129 0.000 2.592 785 N HA 0.187 4.928 4.740 0.001 0.000 0.292 785 N C 0.422 176.104 175.510 0.287 0.000 1.260 785 N CA -0.962 52.236 53.050 0.247 0.000 0.910 785 N CB 0.658 39.254 38.487 0.182 0.000 1.257 785 N HN 0.563 nan 8.380 nan 0.000 0.569 786 E N -0.627 119.780 120.200 0.346 0.000 2.114 786 E HA -0.384 3.967 4.350 0.001 0.000 0.199 786 E C 1.445 178.078 176.600 0.054 0.000 1.008 786 E CA 1.906 58.434 56.400 0.213 0.000 0.810 786 E CB -0.044 29.709 29.700 0.089 0.000 0.739 786 E HN 0.772 nan 8.360 nan 0.000 0.456 787 Q N -0.090 119.742 119.800 0.054 0.000 2.364 787 Q HA -0.150 4.190 4.340 0.001 0.000 0.209 787 Q C 1.501 177.528 176.000 0.044 0.000 0.977 787 Q CA 1.192 57.006 55.803 0.020 0.000 0.885 787 Q CB -0.012 28.741 28.738 0.025 0.000 0.941 787 Q HN 0.133 nan 8.270 nan 0.000 0.464 788 R N -0.193 120.361 120.500 0.090 0.000 2.334 788 R HA 0.293 4.634 4.340 0.001 0.000 0.216 788 R C -0.002 176.411 176.300 0.188 0.000 0.905 788 R CA -0.016 56.150 56.100 0.109 0.000 1.064 788 R CB 0.414 30.772 30.300 0.098 0.000 1.046 788 R HN 0.318 nan 8.270 nan 0.000 0.508 789 M N 0.676 120.396 119.600 0.200 0.000 2.986 789 M HA 0.238 4.718 4.480 0.001 0.000 0.241 789 M C 0.394 176.811 176.300 0.194 0.000 1.191 789 M CA -0.137 55.359 55.300 0.326 0.000 1.143 789 M CB 1.174 33.978 32.600 0.339 0.000 1.242 789 M HN -0.136 nan 8.290 nan 0.000 0.543 790 K N 0.073 120.577 120.400 0.174 0.000 2.007 790 K HA 0.052 4.372 4.320 0.001 0.000 0.206 790 K C 0.724 177.396 176.600 0.119 0.000 1.047 790 K CA 0.731 57.070 56.287 0.087 0.000 0.937 790 K CB 0.202 32.738 32.500 0.061 0.000 0.718 790 K HN 0.430 nan 8.250 nan 0.000 0.438 791 E N 1.522 121.832 120.200 0.184 0.000 2.415 791 E HA -0.043 4.308 4.350 0.001 0.000 0.263 791 E C 0.890 177.649 176.600 0.265 0.000 0.995 791 E CA 0.071 56.590 56.400 0.199 0.000 0.915 791 E CB 1.253 31.079 29.700 0.209 0.000 0.951 791 E HN 0.255 nan 8.360 nan 0.000 0.449 792 S N 2.169 117.998 115.700 0.215 0.000 2.399 792 S HA -0.163 4.307 4.470 0.001 0.000 0.231 792 S C 1.955 176.708 174.600 0.255 0.000 1.022 792 S CA 1.220 59.567 58.200 0.246 0.000 0.983 792 S CB 0.065 63.371 63.200 0.177 0.000 0.803 792 S HN 0.389 nan 8.310 nan 0.000 0.480 793 S N 0.864 116.719 115.700 0.258 0.000 2.348 793 S HA -0.047 4.424 4.470 0.001 0.000 0.221 793 S C 1.439 176.226 174.600 0.311 0.000 1.033 793 S CA 1.234 59.610 58.200 0.294 0.000 1.010 793 S CB -0.663 62.749 63.200 0.354 0.000 0.891 793 S HN 0.580 nan 8.310 nan 0.000 0.442 794 F N 1.088 121.148 119.950 0.182 0.000 2.134 794 F HA -0.051 4.477 4.527 0.001 0.000 0.299 794 F C 2.043 177.893 175.800 0.083 0.000 1.097 794 F CA 1.542 59.569 58.000 0.046 0.000 1.264 794 F CB -0.946 38.106 39.000 0.087 0.000 1.001 794 F HN 0.371 nan 8.300 nan 0.000 0.479 795 Y N 0.811 121.108 120.300 -0.005 0.000 2.165 795 Y HA -0.217 4.334 4.550 0.002 0.000 0.286 795 Y C 2.575 178.437 175.900 -0.063 0.000 1.155 795 Y CA 1.819 59.886 58.100 -0.054 0.000 1.164 795 Y CB -1.017 37.477 38.460 0.057 0.000 0.978 795 Y HN 0.059 nan 8.280 nan 0.000 0.513 796 S N 0.130 115.754 115.700 -0.127 0.000 2.382 796 S HA -0.161 4.310 4.470 0.001 0.000 0.228 796 S C 1.931 176.410 174.600 -0.202 0.000 1.027 796 S CA 1.224 59.300 58.200 -0.205 0.000 0.991 796 S CB -0.662 62.506 63.200 -0.053 0.000 0.823 796 S HN 0.452 nan 8.310 nan 0.000 0.469 797 L N 1.423 122.518 121.223 -0.213 0.000 2.017 797 L HA -0.084 4.257 4.340 0.001 0.000 0.208 797 L C 2.313 179.008 176.870 -0.291 0.000 1.073 797 L CA 1.678 56.355 54.840 -0.271 0.000 0.745 797 L CB -0.887 40.899 42.059 -0.456 0.000 0.894 797 L HN 0.314 nan 8.230 nan 0.000 0.432 798 C N -0.612 118.450 119.300 -0.397 0.000 2.413 798 C HA -0.186 4.275 4.460 0.001 0.000 0.276 798 C C 2.749 177.727 174.990 -0.020 0.000 1.248 798 C CA 0.903 59.753 59.018 -0.279 0.000 1.742 798 C CB -1.188 26.358 27.740 -0.324 0.000 2.017 798 C HN 0.566 nan 8.230 nan 0.000 0.481 799 L N 0.386 121.568 121.223 -0.068 0.000 2.043 799 L HA -0.207 4.134 4.340 0.001 0.000 0.212 799 L C 2.700 179.556 176.870 -0.024 0.000 1.075 799 L CA 1.951 56.766 54.840 -0.042 0.000 0.752 799 L CB -1.215 40.653 42.059 -0.318 0.000 0.891 799 L HN 0.413 nan 8.230 nan 0.000 0.432 800 T N -0.369 114.132 114.554 -0.089 0.000 2.684 800 T HA -0.228 4.123 4.350 0.001 0.000 0.267 800 T C 1.908 176.567 174.700 -0.069 0.000 1.036 800 T CA 1.545 63.599 62.100 -0.075 0.000 1.148 800 T CB -0.192 68.624 68.868 -0.086 0.000 0.863 800 T HN 0.256 nan 8.240 nan 0.000 0.436 801 M N -0.571 118.970 119.600 -0.098 0.000 2.229 801 M HA -0.049 4.432 4.480 0.001 0.000 0.264 801 M C 2.164 178.387 176.300 -0.129 0.000 1.063 801 M CA 1.213 56.427 55.300 -0.143 0.000 1.114 801 M CB -0.285 32.192 32.600 -0.204 0.000 1.387 801 M HN 0.327 nan 8.290 nan 0.000 0.420 802 W N 1.849 123.022 121.300 -0.210 0.000 2.387 802 W HA -0.165 4.496 4.660 0.001 0.000 0.272 802 W C 1.995 178.389 176.519 -0.207 0.000 1.224 802 W CA 1.390 58.612 57.345 -0.205 0.000 1.210 802 W CB -0.517 28.838 29.460 -0.176 0.000 1.125 802 W HN 0.425 nan 8.180 nan 0.000 0.572 803 Q N -0.395 119.430 119.800 0.042 0.000 2.170 803 Q HA -0.202 4.139 4.340 0.001 0.000 0.203 803 Q C 2.125 178.043 176.000 -0.136 0.000 0.976 803 Q CA 1.639 57.416 55.803 -0.044 0.000 0.858 803 Q CB -0.400 28.303 28.738 -0.057 0.000 0.907 803 Q HN 0.310 nan 8.270 nan 0.000 0.433 804 I N 1.153 121.587 120.570 -0.226 0.000 2.133 804 I HA -0.190 3.981 4.170 0.001 0.000 0.238 804 I C -0.715 174.953 176.117 -0.748 0.000 1.074 804 I CA 0.917 61.925 61.300 -0.486 0.000 1.342 804 I CB -1.430 36.279 38.000 -0.485 0.000 1.053 804 I HN 0.138 nan 8.210 nan 0.000 0.404 805 P HA -0.163 nan 4.420 nan 0.000 0.218 805 P C 1.418 178.618 177.300 -0.168 0.000 1.149 805 P CA 1.455 64.340 63.100 -0.359 0.000 0.817 805 P CB -0.101 31.514 31.700 -0.142 0.000 0.785 806 Q N -0.240 119.512 119.800 -0.079 0.000 2.061 806 Q HA -0.184 4.156 4.340 0.001 0.000 0.204 806 Q C 2.232 178.184 176.000 -0.080 0.000 0.984 806 Q CA 1.238 57.011 55.803 -0.049 0.000 0.846 806 Q CB -0.341 28.370 28.738 -0.044 0.000 0.902 806 Q HN 0.272 nan 8.270 nan 0.000 0.421 807 E N -0.067 120.062 120.200 -0.119 0.000 2.106 807 E HA -0.115 4.236 4.350 0.001 0.000 0.192 807 E C 1.862 178.477 176.600 0.025 0.000 0.984 807 E CA 0.721 57.092 56.400 -0.049 0.000 0.806 807 E CB -0.090 29.588 29.700 -0.037 0.000 0.750 807 E HN 0.279 nan 8.360 nan 0.000 0.458 808 F N 0.828 120.606 119.950 -0.286 0.000 2.095 808 F HA -0.171 4.355 4.527 -0.001 0.000 0.298 808 F C 2.550 177.918 175.800 -0.720 0.000 1.104 808 F CA 0.507 58.154 58.000 -0.589 0.000 1.232 808 F CB -1.342 37.098 39.000 -0.932 0.000 0.987 808 F HN -0.145 nan 8.300 nan 0.000 0.475 809 V N 0.117 119.855 119.914 -0.294 0.000 2.287 809 V HA -0.305 3.816 4.120 0.001 0.000 0.248 809 V C 2.392 178.474 176.094 -0.020 0.000 1.053 809 V CA 1.884 64.144 62.300 -0.067 0.000 1.027 809 V CB -0.673 31.177 31.823 0.044 0.000 0.646 809 V HN 0.269 nan 8.190 nan 0.000 0.447 810 K N -0.278 120.107 120.400 -0.026 0.000 2.026 810 K HA -0.079 4.242 4.320 0.001 0.000 0.208 810 K C 1.970 178.573 176.600 0.004 0.000 1.048 810 K CA 1.358 57.642 56.287 -0.006 0.000 0.929 810 K CB -0.254 32.242 32.500 -0.007 0.000 0.713 810 K HN 0.362 nan 8.250 nan 0.000 0.439 811 L N 0.886 122.111 121.223 0.003 0.000 2.554 811 L HA -0.016 4.325 4.340 0.001 0.000 0.226 811 L C 0.078 176.957 176.870 0.015 0.000 1.137 811 L CA 0.210 55.061 54.840 0.018 0.000 0.863 811 L CB -0.216 41.866 42.059 0.038 0.000 0.985 811 L HN 0.257 nan 8.230 nan 0.000 0.451 812 Q N 0.034 119.835 119.800 0.001 0.000 2.452 812 Q HA -0.171 4.170 4.340 0.001 0.000 0.318 812 Q C -0.212 175.821 176.000 0.055 0.000 1.386 812 Q CA -0.132 55.704 55.803 0.055 0.000 0.872 812 Q CB -1.843 26.940 28.738 0.076 0.000 1.151 812 Q HN 0.212 nan 8.270 nan 0.000 0.417 813 V N 1.669 121.551 119.914 -0.053 0.000 2.644 813 V HA -0.025 4.096 4.120 0.001 0.000 0.305 813 V C 1.203 177.399 176.094 0.170 0.000 1.053 813 V CA 1.015 63.292 62.300 -0.038 0.000 1.186 813 V CB 0.962 32.586 31.823 -0.332 0.000 0.895 813 V HN 0.536 nan 8.190 nan 0.000 0.490 814 S N 3.838 119.626 115.700 0.146 0.000 2.632 814 S HA 0.211 4.682 4.470 0.001 0.000 0.271 814 S C 0.851 175.574 174.600 0.206 0.000 1.260 814 S CA -0.378 57.942 58.200 0.200 0.000 1.010 814 S CB 1.394 64.659 63.200 0.108 0.000 0.965 814 S HN 0.744 nan 8.310 nan 0.000 0.534 815 Q N 0.442 120.392 119.800 0.250 0.000 2.112 815 Q HA -0.229 4.112 4.340 0.001 0.000 0.206 815 Q C 1.516 177.482 176.000 -0.057 0.000 0.987 815 Q CA 2.184 57.969 55.803 -0.030 0.000 0.858 815 Q CB -0.236 28.558 28.738 0.094 0.000 0.905 815 Q HN 0.887 nan 8.270 nan 0.000 0.420 816 E N 0.430 120.641 120.200 0.017 0.000 2.077 816 E HA -0.182 4.169 4.350 0.001 0.000 0.193 816 E C 1.787 178.390 176.600 0.004 0.000 0.989 816 E CA 1.474 57.883 56.400 0.014 0.000 0.800 816 E CB -0.015 29.704 29.700 0.032 0.000 0.746 816 E HN 0.430 nan 8.360 nan 0.000 0.452 817 E N -0.040 120.168 120.200 0.013 0.000 2.051 817 E HA -0.183 4.168 4.350 0.001 0.000 0.192 817 E C 1.852 178.438 176.600 -0.023 0.000 0.991 817 E CA 1.012 57.418 56.400 0.009 0.000 0.799 817 E CB -0.263 29.449 29.700 0.020 0.000 0.748 817 E HN 0.241 nan 8.360 nan 0.000 0.449 818 F N 1.643 121.436 119.950 -0.261 0.000 2.126 818 F HA -0.202 4.328 4.527 0.004 0.000 0.299 818 F C 1.834 177.516 175.800 -0.196 0.000 1.096 818 F CA 1.385 59.154 58.000 -0.385 0.000 1.255 818 F CB -0.188 38.187 39.000 -1.041 0.000 0.997 818 F HN -0.092 nan 8.300 nan 0.000 0.479 819 L N -0.718 120.280 121.223 -0.374 0.000 2.056 819 L HA -0.254 4.087 4.340 0.001 0.000 0.207 819 L C 2.630 179.392 176.870 -0.181 0.000 1.078 819 L CA 1.248 55.881 54.840 -0.345 0.000 0.749 819 L CB -1.051 40.948 42.059 -0.101 0.000 0.901 819 L HN 0.287 nan 8.230 nan 0.000 0.433 820 C N -0.531 118.727 119.300 -0.070 0.000 2.453 820 C HA -0.141 4.320 4.460 0.001 0.000 0.277 820 C C 2.872 177.838 174.990 -0.040 0.000 1.262 820 C CA 0.586 59.621 59.018 0.028 0.000 1.718 820 C CB -0.629 27.160 27.740 0.083 0.000 2.031 820 C HN 0.485 nan 8.230 nan 0.000 0.480 821 M N 0.731 120.282 119.600 -0.082 0.000 2.149 821 M HA -0.217 4.264 4.480 0.001 0.000 0.261 821 M C 2.286 178.423 176.300 -0.272 0.000 1.064 821 M CA 1.794 57.021 55.300 -0.121 0.000 1.102 821 M CB -0.500 32.128 32.600 0.047 0.000 1.369 821 M HN 0.382 nan 8.290 nan 0.000 0.408 822 K N 0.254 120.485 120.400 -0.281 0.000 2.097 822 K HA -0.092 4.229 4.320 0.001 0.000 0.205 822 K C 1.603 178.098 176.600 -0.175 0.000 1.050 822 K CA 0.998 57.079 56.287 -0.343 0.000 0.938 822 K CB 0.090 32.294 32.500 -0.494 0.000 0.718 822 K HN 0.140 nan 8.250 nan 0.000 0.442 823 V N 1.662 121.511 119.914 -0.108 0.000 2.343 823 V HA -0.242 3.879 4.120 0.001 0.000 0.247 823 V C 2.225 178.221 176.094 -0.163 0.000 1.051 823 V CA 1.526 63.733 62.300 -0.155 0.000 1.036 823 V CB -0.397 31.095 31.823 -0.552 0.000 0.654 823 V HN 0.324 nan 8.190 nan 0.000 0.451 824 L N -0.887 120.264 121.223 -0.120 0.000 2.141 824 L HA -0.150 4.191 4.340 0.001 0.000 0.209 824 L C 2.418 179.268 176.870 -0.033 0.000 1.094 824 L CA 1.210 56.034 54.840 -0.025 0.000 0.763 824 L CB -0.449 41.646 42.059 0.061 0.000 0.908 824 L HN 0.314 nan 8.230 nan 0.000 0.437 825 L N -0.510 120.621 121.223 -0.153 0.000 2.017 825 L HA -0.253 4.088 4.340 0.001 0.000 0.208 825 L C 2.604 179.460 176.870 -0.024 0.000 1.073 825 L CA 1.049 55.785 54.840 -0.173 0.000 0.745 825 L CB -0.356 41.479 42.059 -0.374 0.000 0.894 825 L HN 0.288 nan 8.230 nan 0.000 0.432 826 L N 0.069 121.304 121.223 0.020 0.000 2.081 826 L HA -0.205 4.136 4.340 0.001 0.000 0.212 826 L C 1.754 178.743 176.870 0.199 0.000 1.080 826 L CA 1.836 56.747 54.840 0.119 0.000 0.754 826 L CB -0.313 41.813 42.059 0.113 0.000 0.893 826 L HN 0.177 nan 8.230 nan 0.000 0.433 827 L N -0.374 120.957 121.223 0.181 0.000 2.728 827 L HA 0.185 4.525 4.340 0.001 0.000 0.235 827 L C 1.008 178.092 176.870 0.356 0.000 1.197 827 L CA -0.065 54.977 54.840 0.338 0.000 0.992 827 L CB -0.542 41.594 42.059 0.129 0.000 1.263 827 L HN 0.207 nan 8.230 nan 0.000 0.484 828 N N -0.241 118.612 118.700 0.255 0.000 2.205 828 N HA 0.071 4.812 4.740 0.001 0.000 0.201 828 N C -0.397 175.299 175.510 0.310 0.000 1.128 828 N CA 0.269 53.457 53.050 0.231 0.000 0.867 828 N CB 0.678 39.231 38.487 0.110 0.000 0.996 828 N HN 0.033 nan 8.380 nan 0.000 0.503 829 T N 0.617 115.353 114.554 0.303 0.000 2.952 829 T HA 0.530 4.881 4.350 0.001 0.000 0.305 829 T C -0.464 174.404 174.700 0.279 0.000 1.064 829 T CA -0.686 61.562 62.100 0.245 0.000 1.008 829 T CB 1.801 70.793 68.868 0.208 0.000 1.078 829 T HN 0.120 nan 8.240 nan 0.000 0.459 830 I N -0.463 120.202 120.570 0.158 0.000 3.042 830 I HA 0.804 4.974 4.170 0.001 0.000 0.310 830 I C -3.182 173.060 176.117 0.210 0.000 1.117 830 I CA -3.468 57.895 61.300 0.105 0.000 1.003 830 I CB 2.327 40.187 38.000 -0.232 0.000 1.228 830 I HN 0.290 nan 8.210 nan 0.000 0.443 831 P HA 0.234 nan 4.420 nan 0.000 0.272 831 P C 0.762 178.082 177.300 0.033 0.000 1.230 831 P CA -0.285 62.909 63.100 0.157 0.000 0.788 831 P CB 0.727 32.468 31.700 0.068 0.000 0.949 832 L N 1.095 122.327 121.223 0.014 0.000 2.081 832 L HA -0.204 4.136 4.340 0.001 0.000 0.212 832 L C 2.075 178.933 176.870 -0.021 0.000 1.080 832 L CA 1.626 56.458 54.840 -0.014 0.000 0.754 832 L CB -0.759 41.290 42.059 -0.016 0.000 0.893 832 L HN 0.540 nan 8.230 nan 0.000 0.433 833 E N 0.726 120.913 120.200 -0.023 0.000 2.502 833 E HA 0.105 4.455 4.350 0.001 0.000 0.194 833 E C 0.960 177.530 176.600 -0.051 0.000 1.062 833 E CA 0.764 57.144 56.400 -0.034 0.000 0.867 833 E CB -0.120 29.559 29.700 -0.035 0.000 0.888 833 E HN 0.366 nan 8.360 nan 0.000 0.510 834 G N 0.802 109.565 108.800 -0.061 0.000 2.782 834 G HA2 -0.236 3.725 3.960 0.001 0.000 0.228 834 G HA3 -0.236 3.725 3.960 0.001 0.000 0.228 834 G C -0.569 174.248 174.900 -0.138 0.000 1.372 834 G CA -0.171 44.869 45.100 -0.100 0.000 0.862 834 G HN 0.210 nan 8.290 nan 0.000 0.547 835 L N -0.047 121.060 121.223 -0.193 0.000 2.416 835 L HA 0.498 4.838 4.340 0.001 0.000 0.262 835 L C 2.192 178.965 176.870 -0.162 0.000 1.093 835 L CA -0.916 53.795 54.840 -0.215 0.000 0.801 835 L CB 1.108 42.982 42.059 -0.308 0.000 1.191 835 L HN 0.770 nan 8.230 nan 0.000 0.459 836 R N -0.102 120.280 120.500 -0.197 0.000 2.066 836 R HA -0.037 4.304 4.340 0.001 0.000 0.232 836 R C 0.633 176.873 176.300 -0.100 0.000 1.131 836 R CA 1.109 57.084 56.100 -0.209 0.000 0.955 836 R CB -0.135 29.886 30.300 -0.465 0.000 0.851 836 R HN 0.491 nan 8.270 nan 0.000 0.432 837 S N 1.417 117.083 115.700 -0.057 0.000 3.266 837 S HA 0.051 4.522 4.470 0.001 0.000 0.209 837 S C 0.650 175.275 174.600 0.042 0.000 1.409 837 S CA -0.334 57.871 58.200 0.008 0.000 1.179 837 S CB 0.977 64.195 63.200 0.031 0.000 1.218 837 S HN 0.171 nan 8.310 nan 0.000 0.514 838 Q N 2.052 121.864 119.800 0.020 0.000 2.084 838 Q HA -0.119 4.222 4.340 0.001 0.000 0.202 838 Q C 1.878 177.964 176.000 0.144 0.000 0.978 838 Q CA 2.141 57.987 55.803 0.071 0.000 0.844 838 Q CB -0.765 27.984 28.738 0.019 0.000 0.898 838 Q HN 0.512 nan 8.270 nan 0.000 0.426 839 T N 0.177 114.781 114.554 0.082 0.000 2.708 839 T HA -0.208 4.143 4.350 0.001 0.000 0.266 839 T C 1.585 176.329 174.700 0.074 0.000 1.037 839 T CA 1.507 63.648 62.100 0.068 0.000 1.146 839 T CB -0.373 68.517 68.868 0.037 0.000 0.865 839 T HN 0.297 nan 8.240 nan 0.000 0.435 840 Q N 0.507 120.351 119.800 0.074 0.000 2.084 840 Q HA -0.056 4.285 4.340 0.001 0.000 0.202 840 Q C 1.873 177.931 176.000 0.097 0.000 0.978 840 Q CA 1.459 57.300 55.803 0.064 0.000 0.844 840 Q CB -0.778 27.989 28.738 0.048 0.000 0.898 840 Q HN 0.584 nan 8.270 nan 0.000 0.426 841 F N 0.921 120.869 119.950 -0.003 0.000 2.095 841 F HA -0.164 4.352 4.527 -0.019 0.000 0.298 841 F C 1.737 177.557 175.800 0.033 0.000 1.104 841 F CA 2.075 60.082 58.000 0.012 0.000 1.232 841 F CB -0.160 38.840 39.000 -0.001 0.000 0.987 841 F HN 0.176 nan 8.300 nan 0.000 0.475 842 E N 0.029 120.253 120.200 0.040 0.000 2.077 842 E HA -0.217 4.134 4.350 0.001 0.000 0.193 842 E C 2.130 178.666 176.600 -0.107 0.000 0.989 842 E CA 1.548 57.897 56.400 -0.085 0.000 0.800 842 E CB -0.235 29.504 29.700 0.066 0.000 0.746 842 E HN 0.587 nan 8.360 nan 0.000 0.452 843 E N 0.510 120.684 120.200 -0.043 0.000 2.077 843 E HA -0.223 4.128 4.350 0.001 0.000 0.193 843 E C 2.079 178.652 176.600 -0.045 0.000 0.989 843 E CA 1.092 57.471 56.400 -0.035 0.000 0.800 843 E CB -0.122 29.570 29.700 -0.012 0.000 0.746 843 E HN 0.248 nan 8.360 nan 0.000 0.452 844 M N 0.700 120.274 119.600 -0.043 0.000 2.086 844 M HA -0.228 4.253 4.480 0.001 0.000 0.261 844 M C 2.456 178.787 176.300 0.053 0.000 1.067 844 M CA 1.548 56.865 55.300 0.029 0.000 1.116 844 M CB -0.012 32.624 32.600 0.060 0.000 1.348 844 M HN -0.087 nan 8.290 nan 0.000 0.407 845 R N -0.383 120.008 120.500 -0.182 0.000 2.083 845 R HA -0.148 4.192 4.340 0.001 0.000 0.237 845 R C 2.054 178.354 176.300 -0.001 0.000 1.137 845 R CA 2.322 58.327 56.100 -0.160 0.000 0.951 845 R CB -0.296 29.728 30.300 -0.460 0.000 0.851 845 R HN 0.423 nan 8.270 nan 0.000 0.434 846 S N 0.065 115.745 115.700 -0.033 0.000 2.383 846 S HA -0.130 4.341 4.470 0.001 0.000 0.229 846 S C 1.970 176.573 174.600 0.006 0.000 1.030 846 S CA 1.522 59.726 58.200 0.008 0.000 1.002 846 S CB -0.152 63.041 63.200 -0.013 0.000 0.829 846 S HN 0.349 nan 8.310 nan 0.000 0.467 847 S N 0.469 116.146 115.700 -0.038 0.000 2.359 847 S HA -0.103 4.368 4.470 0.001 0.000 0.224 847 S C 1.639 176.126 174.600 -0.189 0.000 1.035 847 S CA 1.371 59.485 58.200 -0.144 0.000 1.018 847 S CB -0.442 62.607 63.200 -0.253 0.000 0.876 847 S HN 0.576 nan 8.310 nan 0.000 0.448 848 Y N 1.156 121.454 120.300 -0.005 0.000 2.314 848 Y HA 0.113 4.662 4.550 -0.002 0.000 0.293 848 Y C 2.055 177.988 175.900 0.056 0.000 1.129 848 Y CA 0.312 58.420 58.100 0.014 0.000 1.201 848 Y CB -0.431 38.029 38.460 0.001 0.000 0.999 848 Y HN 0.192 nan 8.280 nan 0.000 0.541 849 I N -0.225 120.477 120.570 0.220 0.000 2.208 849 I HA -0.346 3.825 4.170 0.001 0.000 0.245 849 I C 2.321 178.538 176.117 0.167 0.000 1.097 849 I CA 1.451 62.904 61.300 0.255 0.000 1.363 849 I CB -0.344 37.847 38.000 0.319 0.000 1.051 849 I HN 0.131 nan 8.210 nan 0.000 0.413 850 R N 0.177 120.716 120.500 0.066 0.000 2.120 850 R HA -0.205 4.136 4.340 0.001 0.000 0.234 850 R C 2.192 178.497 176.300 0.008 0.000 1.123 850 R CA 1.306 57.410 56.100 0.006 0.000 0.975 850 R CB -0.231 30.047 30.300 -0.036 0.000 0.866 850 R HN 0.260 nan 8.270 nan 0.000 0.446 851 E N 0.863 121.066 120.200 0.004 0.000 2.107 851 E HA -0.130 4.221 4.350 0.001 0.000 0.191 851 E C 1.702 178.338 176.600 0.060 0.000 0.982 851 E CA 0.530 56.932 56.400 0.003 0.000 0.809 851 E CB -0.097 29.578 29.700 -0.042 0.000 0.756 851 E HN 0.089 nan 8.360 nan 0.000 0.459 852 L N 0.451 121.740 121.223 0.111 0.000 2.046 852 L HA -0.106 4.235 4.340 0.001 0.000 0.208 852 L C 1.979 178.935 176.870 0.143 0.000 1.077 852 L CA 1.617 56.534 54.840 0.128 0.000 0.747 852 L CB -0.461 41.690 42.059 0.152 0.000 0.896 852 L HN 0.235 nan 8.230 nan 0.000 0.432 853 I N -0.489 120.165 120.570 0.140 0.000 2.163 853 I HA -0.361 3.810 4.170 0.001 0.000 0.243 853 I C 2.448 178.591 176.117 0.043 0.000 1.085 853 I CA 1.641 62.985 61.300 0.074 0.000 1.347 853 I CB -0.487 37.484 38.000 -0.049 0.000 1.044 853 I HN 0.277 nan 8.210 nan 0.000 0.408 854 K N 1.081 121.497 120.400 0.026 0.000 2.044 854 K HA -0.209 4.112 4.320 0.001 0.000 0.210 854 K C 2.297 178.916 176.600 0.031 0.000 1.049 854 K CA 1.709 58.006 56.287 0.017 0.000 0.927 854 K CB -0.439 32.064 32.500 0.004 0.000 0.713 854 K HN 0.343 nan 8.250 nan 0.000 0.443 855 A N 1.667 124.513 122.820 0.043 0.000 1.892 855 A HA -0.193 4.127 4.320 0.001 0.000 0.218 855 A C 2.188 179.803 177.584 0.051 0.000 1.188 855 A CA 1.568 53.632 52.037 0.046 0.000 0.631 855 A CB -0.712 18.317 19.000 0.049 0.000 0.822 855 A HN 0.222 nan 8.150 nan 0.000 0.447 856 I N -0.427 120.183 120.570 0.068 0.000 2.286 856 I HA -0.187 3.984 4.170 0.001 0.000 0.248 856 I C 2.556 178.705 176.117 0.054 0.000 1.115 856 I CA 1.088 62.432 61.300 0.074 0.000 1.392 856 I CB -0.464 37.605 38.000 0.115 0.000 1.065 856 I HN 0.409 nan 8.210 nan 0.000 0.418 857 G N 0.594 109.419 108.800 0.042 0.000 2.534 857 G HA2 -0.102 3.858 3.960 0.001 0.000 0.217 857 G HA3 -0.102 3.858 3.960 0.001 0.000 0.217 857 G C 1.645 176.560 174.900 0.024 0.000 1.128 857 G CA 0.094 45.211 45.100 0.027 0.000 0.784 857 G HN 0.281 nan 8.290 nan 0.000 0.542 858 L N -1.124 120.115 121.223 0.028 0.000 2.191 858 L HA 0.031 4.371 4.340 0.001 0.000 0.212 858 L C 2.905 179.791 176.870 0.026 0.000 1.103 858 L CA 1.076 55.931 54.840 0.025 0.000 0.769 858 L CB -0.089 41.986 42.059 0.028 0.000 0.908 858 L HN 0.177 nan 8.230 nan 0.000 0.438 859 R N -2.050 118.468 120.500 0.030 0.000 2.437 859 R HA 0.116 4.456 4.340 0.001 0.000 0.184 859 R C 0.178 176.496 176.300 0.030 0.000 0.850 859 R CA -0.287 55.831 56.100 0.030 0.000 1.073 859 R CB 0.410 30.732 30.300 0.036 0.000 1.336 859 R HN 0.064 nan 8.270 nan 0.000 0.640 860 Q N 2.331 122.152 119.800 0.036 0.000 2.381 860 Q HA 0.095 4.436 4.340 0.001 0.000 0.243 860 Q C 0.179 176.197 176.000 0.029 0.000 1.154 860 Q CA 0.315 56.140 55.803 0.036 0.000 0.899 860 Q CB 1.090 29.857 28.738 0.049 0.000 1.396 860 Q HN 0.029 nan 8.270 nan 0.000 0.485 861 K N 1.144 121.557 120.400 0.023 0.000 2.076 861 K HA 0.020 4.341 4.320 0.001 0.000 0.204 861 K C 1.001 177.610 176.600 0.014 0.000 1.051 861 K CA 0.673 56.970 56.287 0.017 0.000 0.949 861 K CB -0.123 32.386 32.500 0.014 0.000 0.726 861 K HN 0.576 nan 8.250 nan 0.000 0.443 862 G N 0.638 109.448 108.800 0.016 0.000 2.448 862 G HA2 0.292 4.253 3.960 0.001 0.000 0.285 862 G HA3 0.292 4.253 3.960 0.001 0.000 0.285 862 G C 1.217 176.126 174.900 0.015 0.000 1.176 862 G CA -0.135 44.972 45.100 0.013 0.000 0.852 862 G HN -0.007 nan 8.290 nan 0.000 0.530 863 V N 0.756 120.675 119.914 0.010 0.000 2.392 863 V HA -0.166 3.955 4.120 0.001 0.000 0.249 863 V C 2.409 178.513 176.094 0.016 0.000 1.059 863 V CA 2.003 64.308 62.300 0.008 0.000 1.051 863 V CB -0.991 30.833 31.823 0.002 0.000 0.658 863 V HN 0.390 nan 8.190 nan 0.000 0.455 864 V N 0.284 120.208 119.914 0.017 0.000 2.302 864 V HA -0.169 3.952 4.120 0.001 0.000 0.243 864 V C 2.890 179.004 176.094 0.032 0.000 1.036 864 V CA 2.176 64.489 62.300 0.021 0.000 1.020 864 V CB -0.633 31.197 31.823 0.012 0.000 0.657 864 V HN 0.646 nan 8.190 nan 0.000 0.453 865 S N -0.014 115.704 115.700 0.030 0.000 2.368 865 S HA -0.285 4.186 4.470 0.001 0.000 0.226 865 S C 2.279 176.914 174.600 0.059 0.000 1.044 865 S CA 2.446 60.669 58.200 0.039 0.000 1.062 865 S CB -0.460 62.758 63.200 0.031 0.000 0.931 865 S HN 0.583 nan 8.310 nan 0.000 0.440 866 S N 0.785 116.518 115.700 0.055 0.000 2.365 866 S HA -0.097 4.374 4.470 0.001 0.000 0.225 866 S C 2.185 176.852 174.600 0.111 0.000 1.039 866 S CA 1.677 59.920 58.200 0.071 0.000 1.033 866 S CB -0.543 62.680 63.200 0.039 0.000 0.887 866 S HN 0.660 nan 8.310 nan 0.000 0.447 867 S N 1.214 116.971 115.700 0.095 0.000 2.387 867 S HA -0.070 4.401 4.470 0.001 0.000 0.226 867 S C 1.952 176.679 174.600 0.212 0.000 1.026 867 S CA 0.785 59.069 58.200 0.139 0.000 0.972 867 S CB -0.268 62.984 63.200 0.086 0.000 0.814 867 S HN 0.524 nan 8.310 nan 0.000 0.477 868 Q N 0.522 120.406 119.800 0.141 0.000 2.167 868 Q HA -0.017 4.323 4.340 0.001 0.000 0.202 868 Q C 2.300 178.410 176.000 0.183 0.000 0.970 868 Q CA 0.970 56.855 55.803 0.137 0.000 0.855 868 Q CB -0.104 28.669 28.738 0.059 0.000 0.911 868 Q HN 0.240 nan 8.270 nan 0.000 0.438 869 R N 0.434 121.029 120.500 0.160 0.000 2.075 869 R HA -0.141 4.199 4.340 0.001 0.000 0.232 869 R C 1.728 178.125 176.300 0.162 0.000 1.126 869 R CA 1.265 57.449 56.100 0.139 0.000 0.963 869 R CB -0.574 29.795 30.300 0.115 0.000 0.858 869 R HN 0.266 nan 8.270 nan 0.000 0.435 870 F N -0.182 119.807 119.950 0.066 0.000 2.134 870 F HA -0.174 4.350 4.527 -0.004 0.000 0.299 870 F C 1.898 177.733 175.800 0.059 0.000 1.097 870 F CA 1.691 59.712 58.000 0.036 0.000 1.264 870 F CB -0.596 38.428 39.000 0.040 0.000 1.001 870 F HN 0.153 nan 8.300 nan 0.000 0.479 871 Y N 1.213 121.606 120.300 0.155 0.000 2.128 871 Y HA -0.326 4.226 4.550 0.003 0.000 0.284 871 Y C 2.525 178.389 175.900 -0.060 0.000 1.154 871 Y CA 2.394 60.529 58.100 0.058 0.000 1.149 871 Y CB -0.626 37.851 38.460 0.028 0.000 0.976 871 Y HN 0.196 nan 8.280 nan 0.000 0.505 872 Q N -0.153 119.724 119.800 0.128 0.000 2.084 872 Q HA -0.174 4.166 4.340 0.001 0.000 0.202 872 Q C 2.315 178.266 176.000 -0.081 0.000 0.978 872 Q CA 1.948 57.787 55.803 0.060 0.000 0.844 872 Q CB -0.202 28.596 28.738 0.100 0.000 0.898 872 Q HN 0.528 nan 8.270 nan 0.000 0.426 873 L N 0.195 121.338 121.223 -0.134 0.000 2.093 873 L HA -0.136 4.205 4.340 0.001 0.000 0.208 873 L C 2.683 179.350 176.870 -0.338 0.000 1.085 873 L CA 1.537 56.272 54.840 -0.173 0.000 0.755 873 L CB -0.812 41.155 42.059 -0.154 0.000 0.904 873 L HN 0.406 nan 8.230 nan 0.000 0.435 874 T N -3.117 111.079 114.554 -0.597 0.000 2.985 874 T HA -0.149 4.202 4.350 0.001 0.000 0.266 874 T C 1.848 176.343 174.700 -0.341 0.000 1.076 874 T CA 0.789 62.386 62.100 -0.838 0.000 1.135 874 T CB -0.045 67.950 68.868 -1.454 0.000 0.890 874 T HN -0.020 nan 8.240 nan 0.000 0.480 875 K N 1.216 121.472 120.400 -0.239 0.000 2.097 875 K HA 0.198 4.519 4.320 0.001 0.000 0.205 875 K C 2.128 178.690 176.600 -0.064 0.000 1.050 875 K CA 0.855 57.055 56.287 -0.144 0.000 0.938 875 K CB -0.893 31.402 32.500 -0.342 0.000 0.718 875 K HN 0.464 nan 8.250 nan 0.000 0.442 876 L N 0.173 121.354 121.223 -0.071 0.000 2.017 876 L HA -0.154 4.187 4.340 0.001 0.000 0.208 876 L C 1.945 178.803 176.870 -0.019 0.000 1.073 876 L CA 1.301 56.140 54.840 -0.003 0.000 0.745 876 L CB -0.207 41.895 42.059 0.072 0.000 0.894 876 L HN 0.209 nan 8.230 nan 0.000 0.432 877 L N -0.325 120.852 121.223 -0.076 0.000 2.012 877 L HA -0.274 4.067 4.340 0.001 0.000 0.210 877 L C 2.308 179.131 176.870 -0.078 0.000 1.073 877 L CA 1.539 56.308 54.840 -0.118 0.000 0.748 877 L CB -0.910 41.065 42.059 -0.139 0.000 0.891 877 L HN 0.309 nan 8.230 nan 0.000 0.431 878 D N 0.176 120.603 120.400 0.045 0.000 2.116 878 D HA -0.195 4.445 4.640 0.001 0.000 0.193 878 D C 1.898 178.253 176.300 0.092 0.000 0.998 878 D CA 1.251 55.334 54.000 0.137 0.000 0.836 878 D CB -0.410 40.494 40.800 0.174 0.000 0.951 878 D HN 0.251 nan 8.370 nan 0.000 0.449 879 N N 0.132 118.854 118.700 0.037 0.000 2.443 879 N HA -0.067 4.674 4.740 0.001 0.000 0.184 879 N C 1.848 177.351 175.510 -0.012 0.000 1.037 879 N CA 0.178 53.243 53.050 0.025 0.000 0.896 879 N CB -0.200 38.294 38.487 0.012 0.000 0.959 879 N HN 0.306 nan 8.380 nan 0.000 0.442 880 L N -0.299 120.876 121.223 -0.079 0.000 2.201 880 L HA -0.130 4.211 4.340 0.001 0.000 0.212 880 L C 1.821 178.613 176.870 -0.131 0.000 1.105 880 L CA 0.878 55.641 54.840 -0.128 0.000 0.775 880 L CB -0.466 41.477 42.059 -0.193 0.000 0.913 880 L HN 0.248 nan 8.230 nan 0.000 0.440 881 H N -0.265 118.790 119.070 -0.024 0.000 2.290 881 H HA -0.195 4.364 4.556 0.005 0.000 0.298 881 H C 1.954 177.265 175.328 -0.028 0.000 1.087 881 H CA 1.763 57.797 56.048 -0.023 0.000 1.291 881 H CB 0.064 29.823 29.762 -0.004 0.000 1.369 881 H HN 0.275 nan 8.280 nan 0.000 0.492 882 D N 0.353 120.816 120.400 0.104 0.000 2.144 882 D HA -0.136 4.505 4.640 0.001 0.000 0.199 882 D C 2.275 178.580 176.300 0.008 0.000 0.984 882 D CA 0.610 54.640 54.000 0.050 0.000 0.834 882 D CB -0.313 40.512 40.800 0.041 0.000 0.955 882 D HN 0.298 nan 8.370 nan 0.000 0.465 883 L N 0.632 121.844 121.223 -0.018 0.000 2.017 883 L HA -0.163 4.178 4.340 0.001 0.000 0.208 883 L C 2.282 179.100 176.870 -0.087 0.000 1.073 883 L CA 1.000 55.810 54.840 -0.050 0.000 0.745 883 L CB -0.092 41.930 42.059 -0.062 0.000 0.894 883 L HN -0.139 nan 8.230 nan 0.000 0.432 884 V N 0.177 120.013 119.914 -0.130 0.000 2.594 884 V HA -0.292 3.829 4.120 0.001 0.000 0.253 884 V C 2.528 178.444 176.094 -0.298 0.000 1.069 884 V CA 1.974 64.112 62.300 -0.271 0.000 1.082 884 V CB -0.678 30.948 31.823 -0.329 0.000 0.680 884 V HN 0.492 nan 8.190 nan 0.000 0.469 885 K N -0.271 120.071 120.400 -0.096 0.000 2.063 885 K HA -0.248 4.072 4.320 0.001 0.000 0.208 885 K C 2.285 178.916 176.600 0.052 0.000 1.048 885 K CA 1.492 57.796 56.287 0.028 0.000 0.928 885 K CB -0.074 32.464 32.500 0.063 0.000 0.713 885 K HN 0.338 nan 8.250 nan 0.000 0.442 886 Q N 0.721 120.534 119.800 0.021 0.000 2.124 886 Q HA -0.122 4.219 4.340 0.001 0.000 0.202 886 Q C 2.197 178.249 176.000 0.086 0.000 0.977 886 Q CA 1.241 57.077 55.803 0.055 0.000 0.850 886 Q CB -0.244 28.508 28.738 0.023 0.000 0.901 886 Q HN 0.419 nan 8.270 nan 0.000 0.429 887 L N -0.818 120.407 121.223 0.003 0.000 2.056 887 L HA -0.189 4.152 4.340 0.001 0.000 0.207 887 L C 2.302 179.265 176.870 0.154 0.000 1.078 887 L CA 1.327 56.180 54.840 0.022 0.000 0.749 887 L CB -0.709 41.279 42.059 -0.117 0.000 0.901 887 L HN 0.380 nan 8.230 nan 0.000 0.433 888 H N -0.618 118.505 119.070 0.089 0.000 2.321 888 H HA -0.210 4.345 4.556 -0.001 0.000 0.300 888 H C 2.177 177.593 175.328 0.147 0.000 1.087 888 H CA 1.183 57.300 56.048 0.116 0.000 1.319 888 H CB 0.179 29.993 29.762 0.087 0.000 1.379 888 H HN 0.118 nan 8.280 nan 0.000 0.501 889 L N 0.216 121.598 121.223 0.265 0.000 2.017 889 L HA -0.211 4.130 4.340 0.001 0.000 0.208 889 L C 2.172 179.168 176.870 0.211 0.000 1.073 889 L CA 1.562 56.519 54.840 0.195 0.000 0.745 889 L CB -0.884 41.266 42.059 0.150 0.000 0.894 889 L HN 0.220 nan 8.230 nan 0.000 0.432 890 Y N -0.595 119.789 120.300 0.139 0.000 2.114 890 Y HA -0.368 4.182 4.550 0.000 0.000 0.282 890 Y C 2.864 178.887 175.900 0.206 0.000 1.165 890 Y CA 2.145 60.338 58.100 0.156 0.000 1.148 890 Y CB -0.903 37.645 38.460 0.147 0.000 0.972 890 Y HN 0.469 nan 8.280 nan 0.000 0.504 891 C N -0.311 119.264 119.300 0.458 0.000 2.413 891 C HA -0.182 4.279 4.460 0.001 0.000 0.277 891 C C 2.734 177.915 174.990 0.320 0.000 1.228 891 C CA 1.334 60.624 59.018 0.453 0.000 1.731 891 C CB -1.674 26.340 27.740 0.457 0.000 2.042 891 C HN 0.706 nan 8.230 nan 0.000 0.468 892 L N 2.106 123.466 121.223 0.227 0.000 2.042 892 L HA -0.106 4.235 4.340 0.001 0.000 0.210 892 L C 2.218 179.169 176.870 0.135 0.000 1.076 892 L CA 2.124 57.060 54.840 0.160 0.000 0.749 892 L CB -1.166 40.962 42.059 0.114 0.000 0.893 892 L HN 0.398 nan 8.230 nan 0.000 0.432 893 N N -0.896 117.850 118.700 0.077 0.000 2.069 893 N HA -0.170 4.571 4.740 0.001 0.000 0.191 893 N C 1.708 177.220 175.510 0.003 0.000 1.031 893 N CA 2.060 55.115 53.050 0.008 0.000 0.852 893 N CB -0.659 37.789 38.487 -0.064 0.000 1.018 893 N HN 0.428 nan 8.380 nan 0.000 0.423 894 T N 0.813 115.384 114.554 0.028 0.000 2.746 894 T HA -0.107 4.244 4.350 0.001 0.000 0.267 894 T C 1.686 176.496 174.700 0.183 0.000 1.039 894 T CA 0.703 62.882 62.100 0.132 0.000 1.142 894 T CB -0.450 68.579 68.868 0.268 0.000 0.866 894 T HN 0.188 nan 8.240 nan 0.000 0.444 895 F N 1.995 121.847 119.950 -0.164 0.000 2.102 895 F HA -0.087 4.442 4.527 0.003 0.000 0.298 895 F C 1.907 177.505 175.800 -0.337 0.000 1.105 895 F CA 0.794 58.367 58.000 -0.711 0.000 1.239 895 F CB -0.463 38.107 39.000 -0.717 0.000 0.991 895 F HN -0.020 nan 8.300 nan 0.000 0.474 896 I N 0.579 121.055 120.570 -0.157 0.000 2.248 896 I HA -0.300 3.871 4.170 0.001 0.000 0.248 896 I C 1.798 177.811 176.117 -0.173 0.000 1.107 896 I CA 1.595 62.787 61.300 -0.180 0.000 1.373 896 I CB -1.544 36.430 38.000 -0.045 0.000 1.055 896 I HN 0.395 nan 8.210 nan 0.000 0.418 897 Q N -0.586 119.153 119.800 -0.102 0.000 2.204 897 Q HA 0.094 4.435 4.340 0.001 0.000 0.209 897 Q C 1.896 177.876 176.000 -0.033 0.000 0.861 897 Q CA 0.393 56.159 55.803 -0.061 0.000 0.971 897 Q CB 0.172 28.892 28.738 -0.030 0.000 1.095 897 Q HN 0.512 nan 8.270 nan 0.000 0.486 898 S N 1.161 116.826 115.700 -0.057 0.000 2.353 898 S HA -0.307 4.164 4.470 0.001 0.000 0.222 898 S C 1.968 176.594 174.600 0.044 0.000 1.035 898 S CA 1.275 59.520 58.200 0.074 0.000 1.025 898 S CB -0.186 63.054 63.200 0.066 0.000 0.902 898 S HN 0.412 nan 8.310 nan 0.000 0.440 899 R N 1.628 122.113 120.500 -0.024 0.000 2.083 899 R HA -0.052 4.288 4.340 0.001 0.000 0.237 899 R C 2.466 178.761 176.300 -0.008 0.000 1.137 899 R CA 1.559 57.648 56.100 -0.018 0.000 0.951 899 R CB -0.882 29.391 30.300 -0.045 0.000 0.851 899 R HN 0.562 nan 8.270 nan 0.000 0.434 900 A N 0.187 122.998 122.820 -0.015 0.000 2.014 900 A HA -0.001 4.320 4.320 0.001 0.000 0.218 900 A C 1.904 179.490 177.584 0.002 0.000 1.163 900 A CA 0.822 52.854 52.037 -0.009 0.000 0.652 900 A CB -0.132 18.859 19.000 -0.016 0.000 0.808 900 A HN 0.358 nan 8.150 nan 0.000 0.449 901 L N -0.633 120.599 121.223 0.015 0.000 2.592 901 L HA 0.074 4.415 4.340 0.001 0.000 0.227 901 L C 0.558 177.441 176.870 0.021 0.000 1.127 901 L CA 0.222 55.075 54.840 0.022 0.000 0.884 901 L CB -0.073 42.010 42.059 0.039 0.000 1.065 901 L HN 0.287 nan 8.230 nan 0.000 0.457 902 S N 0.032 115.745 115.700 0.021 0.000 3.521 902 S HA -0.127 4.344 4.470 0.001 0.000 0.362 902 S C 0.125 174.739 174.600 0.023 0.000 1.044 902 S CA 0.194 58.405 58.200 0.018 0.000 1.091 902 S CB -1.622 61.580 63.200 0.003 0.000 0.908 902 S HN 0.182 nan 8.310 nan 0.000 0.473 903 V N 1.439 121.389 119.914 0.060 0.000 2.370 903 V HA 0.281 4.402 4.120 0.001 0.000 0.283 903 V C 0.576 176.729 176.094 0.098 0.000 1.023 903 V CA -0.583 61.744 62.300 0.046 0.000 0.857 903 V CB 1.588 33.460 31.823 0.082 0.000 0.985 903 V HN 0.386 nan 8.190 nan 0.000 0.443 904 E N 4.022 124.224 120.200 0.003 0.000 2.259 904 E HA 0.431 4.782 4.350 0.001 0.000 0.281 904 E C -1.394 175.185 176.600 -0.034 0.000 1.027 904 E CA -0.208 56.226 56.400 0.058 0.000 0.838 904 E CB 1.210 30.924 29.700 0.023 0.000 1.066 904 E HN 0.502 nan 8.360 nan 0.000 0.401 905 F N 3.484 123.502 119.950 0.114 0.000 2.427 905 F HA 0.314 4.842 4.527 0.001 0.000 0.348 905 F C -1.970 173.904 175.800 0.123 0.000 1.125 905 F CA -2.277 55.821 58.000 0.164 0.000 0.989 905 F CB 1.190 40.381 39.000 0.317 0.000 1.165 905 F HN 0.270 nan 8.300 nan 0.000 0.442 906 P HA 0.095 nan 4.420 nan 0.000 0.273 906 P C 0.695 178.077 177.300 0.136 0.000 1.250 906 P CA -0.216 62.966 63.100 0.137 0.000 0.793 906 P CB 0.882 32.633 31.700 0.086 0.000 1.011 907 E N 0.122 120.375 120.200 0.088 0.000 2.077 907 E HA -0.147 4.204 4.350 0.001 0.000 0.193 907 E C 1.785 178.399 176.600 0.023 0.000 0.989 907 E CA 1.684 58.123 56.400 0.064 0.000 0.800 907 E CB -0.422 29.306 29.700 0.046 0.000 0.746 907 E HN 0.497 nan 8.360 nan 0.000 0.452 908 M N -0.308 119.293 119.600 0.001 0.000 2.123 908 M HA -0.077 4.403 4.480 0.001 0.000 0.263 908 M C 2.447 178.659 176.300 -0.146 0.000 1.069 908 M CA 1.075 56.343 55.300 -0.053 0.000 1.133 908 M CB -0.266 32.311 32.600 -0.037 0.000 1.356 908 M HN 0.046 nan 8.290 nan 0.000 0.415 909 M N 0.052 119.570 119.600 -0.136 0.000 2.082 909 M HA -0.203 4.278 4.480 0.001 0.000 0.258 909 M C 2.338 178.477 176.300 -0.269 0.000 1.069 909 M CA 1.758 56.905 55.300 -0.254 0.000 1.102 909 M CB -1.245 31.368 32.600 0.023 0.000 1.336 909 M HN 0.247 nan 8.290 nan 0.000 0.404 910 S N 0.153 115.810 115.700 -0.071 0.000 2.374 910 S HA -0.196 4.275 4.470 0.001 0.000 0.227 910 S C 1.769 176.236 174.600 -0.223 0.000 1.037 910 S CA 1.813 59.953 58.200 -0.100 0.000 1.024 910 S CB -0.284 63.047 63.200 0.218 0.000 0.861 910 S HN 0.441 nan 8.310 nan 0.000 0.456 911 E N 1.197 121.310 120.200 -0.146 0.000 2.072 911 E HA -0.069 4.282 4.350 0.001 0.000 0.191 911 E C 1.869 178.348 176.600 -0.202 0.000 0.985 911 E CA 1.019 57.343 56.400 -0.127 0.000 0.801 911 E CB -0.446 29.205 29.700 -0.082 0.000 0.750 911 E HN 0.237 nan 8.360 nan 0.000 0.452 912 V N 0.616 120.345 119.914 -0.309 0.000 2.343 912 V HA -0.241 3.880 4.120 0.001 0.000 0.247 912 V C 2.365 178.260 176.094 -0.331 0.000 1.051 912 V CA 1.857 63.943 62.300 -0.356 0.000 1.036 912 V CB -0.404 31.034 31.823 -0.642 0.000 0.654 912 V HN 0.313 nan 8.190 nan 0.000 0.451 913 I N 0.235 120.523 120.570 -0.469 0.000 2.163 913 I HA -0.210 3.961 4.170 0.001 0.000 0.240 913 I C 2.646 178.546 176.117 -0.362 0.000 1.081 913 I CA 1.563 62.591 61.300 -0.454 0.000 1.353 913 I CB -0.610 36.900 38.000 -0.817 0.000 1.054 913 I HN 0.265 nan 8.210 nan 0.000 0.407 914 A N 0.568 123.169 122.820 -0.366 0.000 1.933 914 A HA -0.136 4.185 4.320 0.001 0.000 0.218 914 A C 2.484 180.028 177.584 -0.067 0.000 1.175 914 A CA 1.853 53.819 52.037 -0.119 0.000 0.628 914 A CB -0.813 18.190 19.000 0.005 0.000 0.814 914 A HN 0.441 nan 8.150 nan 0.000 0.444 915 A N -2.024 120.747 122.820 -0.082 0.000 1.929 915 A HA -0.047 4.273 4.320 0.001 0.000 0.216 915 A C 2.088 179.669 177.584 -0.006 0.000 1.176 915 A CA 1.650 53.666 52.037 -0.035 0.000 0.628 915 A CB -0.134 18.846 19.000 -0.035 0.000 0.816 915 A HN 0.455 nan 8.150 nan 0.000 0.444 916 Q N -1.438 118.354 119.800 -0.014 0.000 2.404 916 Q HA 0.315 4.655 4.340 0.001 0.000 0.262 916 Q C 1.996 177.972 176.000 -0.039 0.000 0.846 916 Q CA 0.100 55.921 55.803 0.030 0.000 0.978 916 Q CB -0.119 28.698 28.738 0.131 0.000 1.156 916 Q HN 0.576 nan 8.270 nan 0.000 0.548 917 L N 1.334 122.510 121.223 -0.078 0.000 2.017 917 L HA -0.143 4.198 4.340 0.001 0.000 0.208 917 L C -0.571 176.255 176.870 -0.072 0.000 1.073 917 L CA 1.638 56.406 54.840 -0.120 0.000 0.745 917 L CB -1.701 40.305 42.059 -0.089 0.000 0.894 917 L HN 0.117 nan 8.230 nan 0.000 0.432 918 P HA -0.220 nan 4.420 nan 0.000 0.215 918 P C 1.529 178.815 177.300 -0.023 0.000 1.157 918 P CA 1.383 64.476 63.100 -0.013 0.000 0.868 918 P CB -0.044 31.657 31.700 0.002 0.000 0.788 919 K N 0.026 120.409 120.400 -0.029 0.000 2.032 919 K HA -0.159 4.162 4.320 0.001 0.000 0.209 919 K C 2.001 178.556 176.600 -0.075 0.000 1.048 919 K CA 1.563 57.828 56.287 -0.036 0.000 0.927 919 K CB -0.670 31.822 32.500 -0.013 0.000 0.712 919 K HN 0.061 nan 8.250 nan 0.000 0.441 920 I N 1.353 121.852 120.570 -0.118 0.000 2.127 920 I HA -0.329 3.842 4.170 0.001 0.000 0.241 920 I C 2.406 178.481 176.117 -0.070 0.000 1.075 920 I CA 1.248 62.453 61.300 -0.158 0.000 1.334 920 I CB -0.301 37.561 38.000 -0.230 0.000 1.040 920 I HN 0.183 nan 8.210 nan 0.000 0.405 921 L N 0.616 121.817 121.223 -0.037 0.000 2.079 921 L HA -0.200 4.141 4.340 0.001 0.000 0.210 921 L C 2.592 179.464 176.870 0.003 0.000 1.081 921 L CA 1.248 56.097 54.840 0.014 0.000 0.752 921 L CB -0.665 41.413 42.059 0.032 0.000 0.896 921 L HN 0.262 nan 8.230 nan 0.000 0.433 922 A N -0.196 122.616 122.820 -0.012 0.000 2.248 922 A HA 0.124 4.445 4.320 0.001 0.000 0.210 922 A C 1.748 179.318 177.584 -0.024 0.000 1.174 922 A CA 0.852 52.882 52.037 -0.013 0.000 0.750 922 A CB -0.888 18.104 19.000 -0.013 0.000 0.780 922 A HN 0.591 nan 8.150 nan 0.000 0.478 923 G N -1.659 107.120 108.800 -0.036 0.000 2.160 923 G HA2 -0.242 3.719 3.960 0.001 0.000 0.251 923 G HA3 -0.242 3.719 3.960 0.001 0.000 0.251 923 G C 0.350 175.214 174.900 -0.061 0.000 1.008 923 G CA 0.506 45.577 45.100 -0.049 0.000 0.724 923 G HN 0.337 nan 8.290 nan 0.000 0.514 924 M N 0.398 119.958 119.600 -0.067 0.000 2.854 924 M HA 0.419 4.899 4.480 0.001 0.000 0.251 924 M C 0.724 176.976 176.300 -0.080 0.000 1.301 924 M CA -0.026 55.240 55.300 -0.057 0.000 1.059 924 M CB -0.940 31.638 32.600 -0.036 0.000 1.419 924 M HN 0.794 nan 8.290 nan 0.000 0.467 925 V N -2.300 117.541 119.914 -0.121 0.000 3.206 925 V HA 0.624 4.745 4.120 0.001 0.000 0.305 925 V C -0.885 175.133 176.094 -0.126 0.000 1.257 925 V CA -1.244 60.960 62.300 -0.160 0.000 1.057 925 V CB 3.018 34.588 31.823 -0.421 0.000 1.075 925 V HN 0.288 nan 8.190 nan 0.000 0.443 926 K N 2.427 122.769 120.400 -0.097 0.000 2.404 926 K HA 0.595 4.916 4.320 0.001 0.000 0.257 926 K C -2.813 173.722 176.600 -0.108 0.000 1.026 926 K CA -1.919 54.314 56.287 -0.089 0.000 0.951 926 K CB 1.660 34.130 32.500 -0.051 0.000 1.203 926 K HN 0.612 nan 8.250 nan 0.000 0.446 927 P HA 0.114 nan 4.420 nan 0.000 0.276 927 P C -0.769 176.387 177.300 -0.240 0.000 1.230 927 P CA -0.229 62.653 63.100 -0.365 0.000 0.776 927 P CB 0.723 31.889 31.700 -0.891 0.000 0.888 928 L N 3.524 124.717 121.223 -0.050 0.000 2.312 928 L HA 0.471 4.812 4.340 0.001 0.000 0.281 928 L C 0.109 176.977 176.870 -0.004 0.000 1.070 928 L CA -0.576 54.246 54.840 -0.030 0.000 0.805 928 L CB 0.460 42.520 42.059 0.001 0.000 1.174 928 L HN 0.181 nan 8.230 nan 0.000 0.434 929 L N 2.055 123.213 121.223 -0.109 0.000 2.386 929 L HA 0.352 4.692 4.340 0.001 0.000 0.271 929 L C 0.050 176.777 176.870 -0.238 0.000 0.993 929 L CA -0.459 54.342 54.840 -0.065 0.000 0.819 929 L CB 2.162 44.222 42.059 0.002 0.000 1.294 929 L HN 0.475 nan 8.230 nan 0.000 0.414 930 F N 0.019 119.852 119.950 -0.195 0.000 2.367 930 F HA 0.046 4.589 4.527 0.027 0.000 0.298 930 F C 1.085 176.529 175.800 -0.594 0.000 1.094 930 F CA 0.561 58.303 58.000 -0.431 0.000 1.409 930 F CB 0.123 38.710 39.000 -0.688 0.000 1.064 930 F HN 0.412 nan 8.300 nan 0.000 0.528 931 H N 0.372 119.533 119.070 0.152 0.000 2.747 931 H HA 0.320 4.880 4.556 0.007 0.000 0.371 931 H C -0.157 175.223 175.328 0.086 0.000 1.161 931 H CA -1.142 54.972 56.048 0.109 0.000 1.167 931 H CB 1.297 31.093 29.762 0.056 0.000 1.732 931 H HN -0.020 nan 8.280 nan 0.000 0.544 932 K N 0.000 120.527 120.400 0.211 0.000 2.780 932 K HA 0.000 4.321 4.320 0.001 0.000 0.191 932 K CA 0.000 56.363 56.287 0.127 0.000 0.838 932 K CB 0.000 32.563 32.500 0.105 0.000 1.064 932 K HN 0.000 nan 8.250 nan 0.000 0.543