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 3a50_1_B DATA FIRST_RESID 2 DATA SEQUENCE ALTTTGTEQH DLFSGTFWQN PHPAYAALRA EDPVRKLALP DGPVWLLTRY DATA SEQUENCE ADVREAFVDP RLSKDWRHRL PEDQRADMPA TPTPMMILMD PPDHTRLRKL DATA SEQUENCE VGRSFTVRRM NELEPRITEI ADGLLAGLPT DGPVDLMREY AFQIPVQVIC DATA SEQUENCE ELLGLPAEDR DDFSAWSSVL VDDSPADDKN AAMGKLHGYL SDLLERKRTE DATA SEQUENCE PDDALLSSLL AVSDMDGDRL SQEELVAMAM LLLIAGHETT VNLIGNGVLA DATA SEQUENCE LLTHPDQRKL LAEDPSLISS AVEEFLRFDS PVSQAPIRFT AEDVTYSGVT DATA SEQUENCE IPAGEMVMLG LAAANRDADW MPEPDRLDIT RDASGGVFFG HGIHFCLGAQ DATA SEQUENCE LARLEGRVAI GRLFADRPEL ALAVGLDELV YRRSTLVRGL SRMPVTMGPR DATA SEQUENCE SA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.560 177.584 -0.040 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 2 A CB 0.000 18.994 19.000 -0.011 0.000 0.831 3 L N 1.565 122.753 121.223 -0.059 0.000 2.375 3 L HA 0.727 5.066 4.340 -0.002 0.000 0.271 3 L C 0.761 177.580 176.870 -0.084 0.000 1.107 3 L CA -0.189 54.607 54.840 -0.074 0.000 0.806 3 L CB 1.658 43.666 42.059 -0.085 0.000 1.146 3 L HN 0.942 nan 8.230 nan 0.000 0.447 4 T N -2.672 111.841 114.554 -0.069 0.000 2.896 4 T HA 0.456 4.805 4.350 -0.002 0.000 0.297 4 T C -0.193 174.482 174.700 -0.042 0.000 1.108 4 T CA -0.890 61.175 62.100 -0.059 0.000 1.004 4 T CB 1.609 70.444 68.868 -0.056 0.000 1.159 4 T HN 0.617 nan 8.240 nan 0.000 0.499 5 T N 0.511 115.057 114.554 -0.014 0.000 2.930 5 T HA 0.445 4.794 4.350 -0.002 0.000 0.306 5 T C 0.836 175.534 174.700 -0.004 0.000 1.045 5 T CA -0.334 61.775 62.100 0.015 0.000 1.134 5 T CB 0.115 69.037 68.868 0.090 0.000 0.961 5 T HN 1.058 nan 8.240 nan 0.000 0.545 6 T N 0.004 114.560 114.554 0.004 0.000 2.849 6 T HA 0.638 4.986 4.350 -0.002 0.000 0.284 6 T C 0.816 175.522 174.700 0.010 0.000 1.004 6 T CA 0.044 62.143 62.100 -0.001 0.000 1.021 6 T CB 0.472 69.340 68.868 0.001 0.000 1.013 6 T HN 2.041 nan 8.240 nan 0.000 0.527 7 G N 0.921 109.722 108.800 0.003 0.000 2.592 7 G HA2 -0.028 3.931 3.960 -0.002 0.000 0.684 7 G HA3 -0.028 3.931 3.960 -0.002 0.000 0.684 7 G C 0.633 175.525 174.900 -0.013 0.000 1.291 7 G CA 0.492 45.595 45.100 0.006 0.000 0.891 7 G HN 1.598 nan 8.290 nan 0.000 0.544 8 T N -1.765 112.783 114.554 -0.011 0.000 2.607 8 T HA -0.049 4.300 4.350 -0.002 0.000 0.267 8 T C 0.938 175.602 174.700 -0.061 0.000 1.049 8 T CA 2.061 64.146 62.100 -0.026 0.000 1.162 8 T CB -0.210 68.650 68.868 -0.013 0.000 0.863 8 T HN 0.639 nan 8.240 nan 0.000 0.424 9 E N 2.030 122.179 120.200 -0.086 0.000 2.200 9 E HA 0.206 4.555 4.350 -0.002 0.000 0.283 9 E C -0.483 175.922 176.600 -0.324 0.000 1.015 9 E CA -0.177 56.095 56.400 -0.212 0.000 0.819 9 E CB 0.834 30.392 29.700 -0.236 0.000 1.081 9 E HN 0.539 nan 8.360 nan 0.000 0.397 10 Q N 3.344 122.951 119.800 -0.321 0.000 2.509 10 Q HA 0.174 4.512 4.340 -0.002 0.000 0.230 10 Q C -0.648 175.187 176.000 -0.276 0.000 1.089 10 Q CA -0.371 55.293 55.803 -0.231 0.000 0.901 10 Q CB 0.632 29.294 28.738 -0.125 0.000 1.208 10 Q HN 0.374 nan 8.270 nan 0.000 0.529 11 H N 1.697 120.741 119.070 -0.044 0.000 2.646 11 H HA 0.101 4.656 4.556 -0.002 0.000 0.325 11 H C -0.178 175.099 175.328 -0.084 0.000 1.075 11 H CA -0.392 55.620 56.048 -0.060 0.000 1.421 11 H CB 0.772 30.498 29.762 -0.061 0.000 1.461 11 H HN 0.433 nan 8.280 nan 0.000 0.525 12 D N 2.910 123.320 120.400 0.015 0.000 2.548 12 D HA -0.006 4.633 4.640 -0.002 0.000 0.231 12 D C 0.338 176.530 176.300 -0.179 0.000 1.142 12 D CA 0.493 54.448 54.000 -0.076 0.000 0.866 12 D CB 0.930 41.682 40.800 -0.079 0.000 1.190 12 D HN 0.333 nan 8.370 nan 0.000 0.469 13 L N 2.597 123.627 121.223 -0.321 0.000 2.349 13 L HA 0.255 4.594 4.340 -0.002 0.000 0.278 13 L C -0.077 176.329 176.870 -0.774 0.000 0.996 13 L CA -0.860 53.562 54.840 -0.697 0.000 0.825 13 L CB 0.840 42.691 42.059 -0.347 0.000 1.243 13 L HN 0.401 nan 8.230 nan 0.000 0.412 14 F N 1.272 120.205 119.950 -1.696 0.000 3.090 14 F HA -0.293 4.232 4.527 -0.003 0.000 0.282 14 F C 0.538 175.953 175.800 -0.641 0.000 0.923 14 F CA 1.000 58.231 58.000 -1.281 0.000 0.977 14 F CB -1.757 36.855 39.000 -0.648 0.000 0.954 14 F HN 0.635 nan 8.300 nan 0.000 0.695 15 S N -2.542 112.784 115.700 -0.623 0.000 2.627 15 S HA 0.712 5.181 4.470 -0.002 0.000 0.268 15 S C 0.371 174.876 174.600 -0.158 0.000 1.130 15 S CA -0.215 57.914 58.200 -0.119 0.000 0.819 15 S CB 1.364 64.559 63.200 -0.008 0.000 1.100 15 S HN 1.738 nan 8.310 nan 0.000 0.465 16 G N 1.940 110.785 108.800 0.075 0.000 2.672 16 G HA2 -0.413 3.546 3.960 -0.002 0.000 0.324 16 G HA3 -0.413 3.546 3.960 -0.002 0.000 0.324 16 G C 1.264 176.191 174.900 0.045 0.000 1.286 16 G CA 2.321 47.465 45.100 0.073 0.000 1.004 16 G HN 2.412 nan 8.290 nan 0.000 0.548 17 T N -1.636 112.917 114.554 -0.002 0.000 2.929 17 T HA -0.032 4.317 4.350 -0.002 0.000 0.271 17 T C 2.117 176.748 174.700 -0.115 0.000 1.085 17 T CA 2.052 64.138 62.100 -0.022 0.000 1.125 17 T CB -0.244 68.615 68.868 -0.016 0.000 0.874 17 T HN 0.864 nan 8.240 nan 0.000 0.494 18 F N 0.750 120.453 119.950 -0.412 0.000 2.120 18 F HA -0.038 4.487 4.527 -0.003 0.000 0.300 18 F C 1.858 177.318 175.800 -0.567 0.000 1.095 18 F CA 1.258 58.869 58.000 -0.649 0.000 1.249 18 F CB -0.464 37.952 39.000 -0.974 0.000 0.995 18 F HN 0.208 nan 8.300 nan 0.000 0.480 19 W N 0.004 121.245 121.300 -0.098 0.000 2.388 19 W HA -0.175 4.486 4.660 0.001 0.000 0.294 19 W C 2.584 178.938 176.519 -0.276 0.000 1.212 19 W CA 0.767 58.028 57.345 -0.141 0.000 1.271 19 W CB -0.721 28.774 29.460 0.058 0.000 1.126 19 W HN 0.054 nan 8.180 nan 0.000 0.535 20 Q N 0.668 120.479 119.800 0.019 0.000 2.079 20 Q HA -0.144 4.194 4.340 -0.002 0.000 0.200 20 Q C 0.162 175.978 176.000 -0.306 0.000 0.974 20 Q CA 1.355 57.145 55.803 -0.022 0.000 0.840 20 Q CB -0.134 28.636 28.738 0.053 0.000 0.898 20 Q HN 0.033 nan 8.270 nan 0.000 0.430 21 N N -1.188 117.282 118.700 -0.383 0.000 2.747 21 N HA 0.160 4.898 4.740 -0.002 0.000 0.262 21 N C -2.661 172.452 175.510 -0.661 0.000 1.261 21 N CA -1.244 51.546 53.050 -0.434 0.000 0.809 21 N CB 1.649 40.007 38.487 -0.215 0.000 1.450 21 N HN -0.082 nan 8.380 nan 0.000 0.560 22 P HA 0.022 nan 4.420 nan 0.000 0.240 22 P C 0.719 177.280 177.300 -1.232 0.000 1.190 22 P CA 0.639 62.729 63.100 -1.682 0.000 0.781 22 P CB 0.333 30.552 31.700 -2.467 0.000 0.931 23 H N 0.966 119.680 119.070 -0.593 0.000 2.353 23 H HA -0.005 4.550 4.556 -0.002 0.000 0.300 23 H C -0.530 174.651 175.328 -0.246 0.000 1.090 23 H CA 1.737 57.621 56.048 -0.273 0.000 1.327 23 H CB -2.106 27.537 29.762 -0.199 0.000 1.383 23 H HN 0.278 nan 8.280 nan 0.000 0.508 24 P HA -0.076 nan 4.420 nan 0.000 0.217 24 P C 1.626 178.606 177.300 -0.535 0.000 1.150 24 P CA 1.665 64.539 63.100 -0.378 0.000 0.832 24 P CB -0.119 31.280 31.700 -0.502 0.000 0.787 25 A N -1.169 121.323 122.820 -0.545 0.000 1.883 25 A HA -0.242 4.076 4.320 -0.002 0.000 0.217 25 A C 2.055 179.607 177.584 -0.053 0.000 1.186 25 A CA 1.540 53.414 52.037 -0.272 0.000 0.624 25 A CB -1.974 16.939 19.000 -0.144 0.000 0.822 25 A HN 0.091 nan 8.150 nan 0.000 0.444 26 Y N -0.058 120.194 120.300 -0.081 0.000 2.165 26 Y HA -0.132 4.417 4.550 -0.002 0.000 0.286 26 Y C 2.950 178.851 175.900 0.001 0.000 1.155 26 Y CA 0.372 58.458 58.100 -0.024 0.000 1.164 26 Y CB -1.134 37.295 38.460 -0.051 0.000 0.978 26 Y HN 0.344 nan 8.280 nan 0.000 0.513 27 A N -0.099 122.803 122.820 0.137 0.000 1.873 27 A HA -0.074 4.244 4.320 -0.002 0.000 0.215 27 A C 2.521 180.158 177.584 0.088 0.000 1.186 27 A CA 1.897 53.990 52.037 0.093 0.000 0.616 27 A CB -1.192 17.834 19.000 0.043 0.000 0.823 27 A HN 0.368 nan 8.150 nan 0.000 0.442 28 A N -0.297 122.570 122.820 0.079 0.000 1.933 28 A HA -0.012 4.306 4.320 -0.002 0.000 0.218 28 A C 2.165 179.815 177.584 0.110 0.000 1.175 28 A CA 1.428 53.536 52.037 0.118 0.000 0.628 28 A CB -0.582 18.547 19.000 0.214 0.000 0.814 28 A HN 0.475 nan 8.150 nan 0.000 0.444 29 L N -1.121 120.173 121.223 0.119 0.000 2.017 29 L HA -0.193 4.146 4.340 -0.002 0.000 0.208 29 L C 2.871 179.803 176.870 0.104 0.000 1.073 29 L CA 1.516 56.425 54.840 0.115 0.000 0.745 29 L CB -0.512 41.636 42.059 0.148 0.000 0.894 29 L HN 0.352 nan 8.230 nan 0.000 0.432 30 R N -0.214 120.350 120.500 0.107 0.000 2.096 30 R HA -0.121 4.218 4.340 -0.002 0.000 0.235 30 R C 2.302 178.654 176.300 0.086 0.000 1.127 30 R CA 1.348 57.505 56.100 0.095 0.000 0.968 30 R CB -0.335 30.024 30.300 0.099 0.000 0.861 30 R HN 0.371 nan 8.270 nan 0.000 0.440 31 A N 0.588 123.457 122.820 0.083 0.000 1.935 31 A HA -0.045 4.274 4.320 -0.002 0.000 0.214 31 A C 1.584 179.208 177.584 0.066 0.000 1.178 31 A CA 0.837 52.918 52.037 0.072 0.000 0.640 31 A CB 0.225 19.267 19.000 0.069 0.000 0.825 31 A HN 0.115 nan 8.150 nan 0.000 0.447 32 E N -1.312 118.930 120.200 0.069 0.000 2.434 32 E HA 0.099 4.448 4.350 -0.002 0.000 0.207 32 E C -0.690 175.947 176.600 0.060 0.000 0.929 32 E CA 0.303 56.739 56.400 0.060 0.000 1.001 32 E CB 0.641 30.375 29.700 0.056 0.000 1.016 32 E HN 0.378 nan 8.360 nan 0.000 0.502 33 D N 0.107 120.549 120.400 0.070 0.000 3.250 33 D HA 0.095 4.734 4.640 -0.002 0.000 0.252 33 D C -2.220 174.132 176.300 0.087 0.000 1.342 33 D CA -1.107 52.937 54.000 0.073 0.000 0.807 33 D CB 1.004 41.839 40.800 0.058 0.000 1.449 33 D HN -0.156 nan 8.370 nan 0.000 0.610 34 P HA 0.022 nan 4.420 nan 0.000 0.237 34 P C 0.100 177.457 177.300 0.095 0.000 1.178 34 P CA 0.324 63.477 63.100 0.088 0.000 0.766 34 P CB 0.649 32.399 31.700 0.083 0.000 0.876 35 V N 0.930 120.922 119.914 0.131 0.000 2.443 35 V HA 0.336 4.455 4.120 -0.002 0.000 0.272 35 V C -0.200 176.063 176.094 0.281 0.000 1.002 35 V CA -0.665 61.754 62.300 0.198 0.000 0.840 35 V CB 1.450 33.386 31.823 0.188 0.000 1.042 35 V HN -0.041 nan 8.190 nan 0.000 0.446 36 R N 3.274 123.897 120.500 0.206 0.000 2.534 36 R HA 0.528 4.867 4.340 -0.002 0.000 0.301 36 R C -0.631 175.568 176.300 -0.167 0.000 0.961 36 R CA -0.565 55.559 56.100 0.039 0.000 0.871 36 R CB 1.446 31.758 30.300 0.019 0.000 1.170 36 R HN 0.513 nan 8.270 nan 0.000 0.446 37 K N 5.114 125.152 120.400 -0.603 0.000 2.285 37 K HA 0.269 4.587 4.320 -0.002 0.000 0.286 37 K C -0.855 175.427 176.600 -0.531 0.000 1.072 37 K CA -0.329 55.326 56.287 -1.053 0.000 0.913 37 K CB 0.451 32.006 32.500 -1.574 0.000 1.067 37 K HN 0.595 nan 8.250 nan 0.000 0.479 38 L N 3.798 124.771 121.223 -0.416 0.000 2.257 38 L HA 0.332 4.671 4.340 -0.002 0.000 0.290 38 L C 0.318 177.036 176.870 -0.253 0.000 1.044 38 L CA -0.684 53.992 54.840 -0.273 0.000 0.810 38 L CB 1.615 43.526 42.059 -0.247 0.000 1.193 38 L HN 0.679 nan 8.230 nan 0.000 0.425 39 A N 6.218 128.920 122.820 -0.196 0.000 3.037 39 A HA 0.410 4.729 4.320 -0.002 0.000 0.272 39 A C 0.197 177.710 177.584 -0.118 0.000 1.723 39 A CA -0.364 51.582 52.037 -0.151 0.000 1.413 39 A CB -0.728 18.200 19.000 -0.121 0.000 1.112 39 A HN 0.647 nan 8.150 nan 0.000 0.606 40 L N 1.287 122.429 121.223 -0.134 0.000 2.439 40 L HA 0.169 4.507 4.340 -0.002 0.000 0.269 40 L C -1.123 175.711 176.870 -0.059 0.000 1.179 40 L CA -1.682 53.094 54.840 -0.108 0.000 0.828 40 L CB 0.563 42.528 42.059 -0.156 0.000 1.106 40 L HN 0.324 nan 8.230 nan 0.000 0.467 41 P HA -0.186 nan 4.420 nan 0.000 0.217 41 P C 0.324 177.620 177.300 -0.007 0.000 1.148 41 P CA 1.343 64.438 63.100 -0.009 0.000 0.834 41 P CB 0.152 31.860 31.700 0.014 0.000 0.783 42 D N -1.129 119.266 120.400 -0.009 0.000 2.427 42 D HA 0.355 4.994 4.640 -0.002 0.000 0.224 42 D C 0.850 177.149 176.300 -0.001 0.000 1.157 42 D CA 0.412 54.413 54.000 0.002 0.000 0.828 42 D CB 0.253 41.062 40.800 0.015 0.000 0.974 42 D HN 0.106 nan 8.370 nan 0.000 0.498 43 G N 1.656 110.444 108.800 -0.020 0.000 2.402 43 G HA2 -0.025 3.934 3.960 -0.002 0.000 0.666 43 G HA3 -0.025 3.934 3.960 -0.002 0.000 0.666 43 G C -3.204 171.663 174.900 -0.054 0.000 1.402 43 G CA -1.199 43.889 45.100 -0.020 0.000 0.920 43 G HN -0.171 nan 8.290 nan 0.000 0.651 44 P HA 0.603 nan 4.420 nan 0.000 0.284 44 P C -0.572 176.655 177.300 -0.122 0.000 1.253 44 P CA -0.652 62.369 63.100 -0.133 0.000 0.800 44 P CB 1.987 33.591 31.700 -0.159 0.000 0.961 45 V N 3.646 123.440 119.914 -0.200 0.000 2.760 45 V HA 0.522 4.641 4.120 -0.002 0.000 0.309 45 V C -1.554 174.423 176.094 -0.195 0.000 1.077 45 V CA -0.754 61.467 62.300 -0.132 0.000 0.910 45 V CB 1.338 33.074 31.823 -0.145 0.000 1.008 45 V HN 0.433 nan 8.190 nan 0.000 0.424 46 W N 5.680 126.909 121.300 -0.119 0.000 2.316 46 W HA 0.652 5.310 4.660 -0.002 0.000 0.321 46 W C -0.351 176.099 176.519 -0.116 0.000 1.203 46 W CA -0.297 56.987 57.345 -0.101 0.000 1.214 46 W CB 1.376 30.779 29.460 -0.095 0.000 1.169 46 W HN 0.452 nan 8.180 nan 0.000 0.561 47 L N 4.319 125.617 121.223 0.125 0.000 2.349 47 L HA 0.555 4.893 4.340 -0.002 0.000 0.278 47 L C -1.394 175.510 176.870 0.058 0.000 0.996 47 L CA -0.855 54.024 54.840 0.066 0.000 0.825 47 L CB 0.813 42.928 42.059 0.094 0.000 1.243 47 L HN 0.190 nan 8.230 nan 0.000 0.412 48 L N 4.379 125.582 121.223 -0.033 0.000 2.275 48 L HA 0.562 4.901 4.340 -0.002 0.000 0.288 48 L C 1.203 178.030 176.870 -0.072 0.000 1.046 48 L CA 0.272 55.065 54.840 -0.077 0.000 0.805 48 L CB 1.557 43.481 42.059 -0.225 0.000 1.193 48 L HN 0.833 nan 8.230 nan 0.000 0.426 49 T N -1.329 113.210 114.554 -0.025 0.000 2.959 49 T HA 0.270 4.618 4.350 -0.002 0.000 0.254 49 T C 0.910 175.612 174.700 0.003 0.000 1.003 49 T CA -0.310 61.777 62.100 -0.022 0.000 0.950 49 T CB 0.099 68.989 68.868 0.037 0.000 1.090 49 T HN 0.297 nan 8.240 nan 0.000 0.503 50 R N 0.584 121.098 120.500 0.024 0.000 2.490 50 R HA 0.348 4.687 4.340 -0.002 0.000 0.280 50 R C 0.687 177.022 176.300 0.059 0.000 1.077 50 R CA -0.483 55.660 56.100 0.072 0.000 1.065 50 R CB 0.458 30.811 30.300 0.088 0.000 1.003 50 R HN 0.206 nan 8.270 nan 0.000 0.470 51 Y N 2.932 123.227 120.300 -0.009 0.000 2.128 51 Y HA -0.315 4.234 4.550 -0.002 0.000 0.284 51 Y C 2.040 177.900 175.900 -0.066 0.000 1.154 51 Y CA 2.265 60.323 58.100 -0.070 0.000 1.149 51 Y CB -0.125 38.305 38.460 -0.050 0.000 0.976 51 Y HN 0.770 nan 8.280 nan 0.000 0.505 52 A N 0.174 123.076 122.820 0.136 0.000 1.877 52 A HA -0.206 4.112 4.320 -0.002 0.000 0.216 52 A C 1.918 179.503 177.584 0.002 0.000 1.186 52 A CA 2.055 54.133 52.037 0.069 0.000 0.620 52 A CB -0.921 18.167 19.000 0.147 0.000 0.822 52 A HN 0.557 nan 8.150 nan 0.000 0.443 53 D N -0.267 120.151 120.400 0.030 0.000 2.097 53 D HA -0.111 4.527 4.640 -0.002 0.000 0.195 53 D C 2.080 178.288 176.300 -0.154 0.000 0.989 53 D CA 1.487 55.510 54.000 0.037 0.000 0.827 53 D CB -0.607 40.206 40.800 0.022 0.000 0.966 53 D HN 0.200 nan 8.370 nan 0.000 0.456 54 V N 0.747 120.525 119.914 -0.227 0.000 2.295 54 V HA -0.252 3.867 4.120 -0.002 0.000 0.246 54 V C 2.552 178.509 176.094 -0.227 0.000 1.049 54 V CA 1.899 64.008 62.300 -0.318 0.000 1.024 54 V CB -0.456 31.195 31.823 -0.286 0.000 0.648 54 V HN 0.118 nan 8.190 nan 0.000 0.447 55 R N 0.116 120.460 120.500 -0.260 0.000 2.096 55 R HA -0.225 4.114 4.340 -0.002 0.000 0.235 55 R C 2.347 178.698 176.300 0.085 0.000 1.127 55 R CA 2.134 58.141 56.100 -0.155 0.000 0.968 55 R CB -0.301 29.685 30.300 -0.523 0.000 0.861 55 R HN 0.698 nan 8.270 nan 0.000 0.440 56 E N -0.335 119.893 120.200 0.046 0.000 2.072 56 E HA -0.149 4.199 4.350 -0.002 0.000 0.190 56 E C 1.782 178.471 176.600 0.148 0.000 0.982 56 E CA 0.982 57.462 56.400 0.134 0.000 0.803 56 E CB -0.126 29.685 29.700 0.186 0.000 0.755 56 E HN 0.468 nan 8.360 nan 0.000 0.453 57 A N 0.492 123.328 122.820 0.026 0.000 1.940 57 A HA -0.151 4.168 4.320 -0.002 0.000 0.219 57 A C 1.927 179.460 177.584 -0.084 0.000 1.176 57 A CA 1.059 53.021 52.037 -0.126 0.000 0.631 57 A CB -0.979 17.719 19.000 -0.503 0.000 0.814 57 A HN 0.423 nan 8.150 nan 0.000 0.446 58 F N -0.321 119.619 119.950 -0.016 0.000 2.333 58 F HA -0.133 4.392 4.527 -0.002 0.000 0.300 58 F C 1.840 177.642 175.800 0.002 0.000 1.083 58 F CA 1.390 59.396 58.000 0.010 0.000 1.395 58 F CB 0.320 39.365 39.000 0.074 0.000 1.056 58 F HN 0.204 nan 8.300 nan 0.000 0.529 59 V N -4.102 115.928 119.914 0.193 0.000 3.276 59 V HA 0.222 4.340 4.120 -0.002 0.000 0.319 59 V C -0.312 175.824 176.094 0.070 0.000 1.427 59 V CA -0.425 61.927 62.300 0.086 0.000 1.102 59 V CB -0.141 31.701 31.823 0.032 0.000 1.020 59 V HN -0.053 nan 8.190 nan 0.000 0.456 60 D N 3.187 123.636 120.400 0.082 0.000 2.365 60 D HA 0.338 4.977 4.640 -0.002 0.000 0.237 60 D C -1.137 175.189 176.300 0.043 0.000 1.190 60 D CA -2.172 51.870 54.000 0.070 0.000 0.867 60 D CB 2.020 42.896 40.800 0.126 0.000 1.050 60 D HN 0.219 nan 8.370 nan 0.000 0.491 61 P HA -0.089 nan 4.420 nan 0.000 0.225 61 P C 0.850 178.153 177.300 0.005 0.000 1.148 61 P CA 0.578 63.692 63.100 0.024 0.000 0.779 61 P CB 0.300 32.012 31.700 0.019 0.000 0.780 62 R N -0.636 119.859 120.500 -0.009 0.000 2.280 62 R HA 0.098 4.436 4.340 -0.002 0.000 0.207 62 R C 0.902 177.167 176.300 -0.059 0.000 1.043 62 R CA 0.344 56.416 56.100 -0.047 0.000 1.006 62 R CB -0.448 29.828 30.300 -0.039 0.000 0.885 62 R HN 0.250 nan 8.270 nan 0.000 0.467 63 L N 1.724 122.935 121.223 -0.020 0.000 2.287 63 L HA 0.186 4.525 4.340 -0.002 0.000 0.280 63 L C 0.043 176.924 176.870 0.019 0.000 1.055 63 L CA -0.412 54.411 54.840 -0.028 0.000 0.863 63 L CB 1.325 43.346 42.059 -0.063 0.000 1.245 63 L HN 0.002 nan 8.230 nan 0.000 0.432 64 S N 1.863 117.601 115.700 0.064 0.000 2.687 64 S HA 0.346 4.815 4.470 -0.002 0.000 0.283 64 S C 0.972 175.744 174.600 0.287 0.000 1.170 64 S CA -0.686 57.613 58.200 0.165 0.000 1.008 64 S CB 1.220 64.525 63.200 0.176 0.000 1.026 64 S HN 0.455 nan 8.310 nan 0.000 0.541 65 K N 1.213 121.772 120.400 0.265 0.000 2.426 65 K HA 0.140 4.459 4.320 -0.002 0.000 0.193 65 K C -0.145 176.649 176.600 0.323 0.000 1.028 65 K CA 0.146 56.602 56.287 0.281 0.000 1.047 65 K CB -0.342 32.221 32.500 0.105 0.000 0.821 65 K HN 0.585 nan 8.250 nan 0.000 0.513 66 D N 1.335 121.899 120.400 0.274 0.000 2.338 66 D HA -0.056 4.583 4.640 -0.002 0.000 0.255 66 D C 1.094 177.280 176.300 -0.190 0.000 1.237 66 D CA -0.400 53.666 54.000 0.110 0.000 0.883 66 D CB 0.392 41.251 40.800 0.098 0.000 1.087 66 D HN 0.109 nan 8.370 nan 0.000 0.485 67 W N 5.353 126.219 121.300 -0.724 0.000 2.611 67 W HA -0.012 4.647 4.660 -0.003 0.000 0.251 67 W C 0.998 177.089 176.519 -0.714 0.000 1.265 67 W CA -0.060 56.494 57.345 -1.319 0.000 1.295 67 W CB -0.983 28.058 29.460 -0.699 0.000 1.129 67 W HN 0.381 nan 8.180 nan 0.000 0.630 68 R N -0.042 120.265 120.500 -0.322 0.000 2.189 68 R HA -0.116 4.223 4.340 -0.002 0.000 0.223 68 R C 1.687 177.797 176.300 -0.317 0.000 1.092 68 R CA 1.515 57.382 56.100 -0.390 0.000 0.989 68 R CB -0.807 29.321 30.300 -0.286 0.000 0.876 68 R HN 0.360 nan 8.270 nan 0.000 0.457 69 H N -0.099 118.863 119.070 -0.180 0.000 2.541 69 H HA -0.037 4.518 4.556 -0.002 0.000 0.289 69 H C 1.761 177.068 175.328 -0.035 0.000 1.054 69 H CA 0.900 56.908 56.048 -0.068 0.000 1.250 69 H CB 0.117 29.894 29.762 0.026 0.000 1.369 69 H HN 0.098 nan 8.280 nan 0.000 0.578 70 R N 0.088 120.581 120.500 -0.012 0.000 2.189 70 R HA 0.038 4.377 4.340 -0.002 0.000 0.218 70 R C 0.036 176.322 176.300 -0.024 0.000 1.074 70 R CA 0.393 56.513 56.100 0.032 0.000 0.991 70 R CB 0.167 30.475 30.300 0.013 0.000 0.883 70 R HN 0.224 nan 8.270 nan 0.000 0.457 71 L N 2.291 123.460 121.223 -0.090 0.000 2.357 71 L HA 0.333 4.672 4.340 -0.002 0.000 0.273 71 L C -2.039 174.801 176.870 -0.050 0.000 1.080 71 L CA -2.431 52.353 54.840 -0.093 0.000 0.803 71 L CB 0.787 42.754 42.059 -0.154 0.000 1.174 71 L HN -0.136 nan 8.230 nan 0.000 0.443 72 P HA 0.049 nan 4.420 nan 0.000 0.272 72 P C 0.177 177.456 177.300 -0.036 0.000 1.223 72 P CA -0.316 62.772 63.100 -0.021 0.000 0.784 72 P CB 0.916 32.606 31.700 -0.017 0.000 0.923 73 E N 1.158 121.344 120.200 -0.024 0.000 2.114 73 E HA -0.226 4.122 4.350 -0.002 0.000 0.199 73 E C 1.216 177.794 176.600 -0.036 0.000 1.008 73 E CA 1.662 58.043 56.400 -0.031 0.000 0.810 73 E CB -0.448 29.242 29.700 -0.016 0.000 0.739 73 E HN 0.457 nan 8.360 nan 0.000 0.456 74 D N 0.198 120.580 120.400 -0.029 0.000 2.203 74 D HA -0.181 4.458 4.640 -0.002 0.000 0.199 74 D C 1.573 177.849 176.300 -0.039 0.000 0.997 74 D CA 1.178 55.160 54.000 -0.029 0.000 0.863 74 D CB -0.129 40.657 40.800 -0.023 0.000 0.928 74 D HN 0.154 nan 8.370 nan 0.000 0.458 75 Q N -1.003 118.767 119.800 -0.051 0.000 2.282 75 Q HA 0.224 4.563 4.340 -0.002 0.000 0.206 75 Q C 1.605 177.554 176.000 -0.086 0.000 0.878 75 Q CA -0.045 55.718 55.803 -0.065 0.000 0.944 75 Q CB 0.606 29.302 28.738 -0.070 0.000 1.100 75 Q HN 0.021 nan 8.270 nan 0.000 0.509 76 R N 0.158 120.607 120.500 -0.085 0.000 2.119 76 R HA 0.214 4.553 4.340 -0.002 0.000 0.222 76 R C 0.218 176.463 176.300 -0.090 0.000 1.088 76 R CA 0.582 56.618 56.100 -0.106 0.000 0.984 76 R CB 0.012 30.251 30.300 -0.102 0.000 0.884 76 R HN 0.166 nan 8.270 nan 0.000 0.447 77 A N 1.756 124.537 122.820 -0.065 0.000 2.567 77 A HA -0.012 4.307 4.320 -0.002 0.000 0.240 77 A C -0.313 177.242 177.584 -0.047 0.000 1.053 77 A CA 0.636 52.644 52.037 -0.050 0.000 0.755 77 A CB -0.059 18.918 19.000 -0.037 0.000 0.978 77 A HN 0.639 nan 8.150 nan 0.000 0.507 78 D N 0.132 120.510 120.400 -0.037 0.000 2.837 78 D HA -0.131 4.508 4.640 -0.002 0.000 0.230 78 D C -0.305 175.977 176.300 -0.030 0.000 1.152 78 D CA 1.043 55.027 54.000 -0.027 0.000 0.736 78 D CB -1.037 39.749 40.800 -0.023 0.000 1.084 78 D HN 0.492 nan 8.370 nan 0.000 0.429 79 M N 0.008 119.583 119.600 -0.042 0.000 2.423 79 M HA 0.355 4.833 4.480 -0.002 0.000 0.335 79 M C -2.040 174.271 176.300 0.018 0.000 1.177 79 M CA -1.701 53.570 55.300 -0.048 0.000 1.038 79 M CB 0.495 33.017 32.600 -0.129 0.000 1.641 79 M HN -0.306 nan 8.290 nan 0.000 0.455 80 P HA 0.144 nan 4.420 nan 0.000 0.268 80 P C 0.117 177.604 177.300 0.311 0.000 1.205 80 P CA -0.006 63.201 63.100 0.177 0.000 0.771 80 P CB 0.450 32.298 31.700 0.247 0.000 0.858 81 A N 2.135 125.077 122.820 0.204 0.000 2.015 81 A HA 0.078 4.397 4.320 -0.002 0.000 0.219 81 A C 0.927 178.595 177.584 0.140 0.000 1.163 81 A CA 1.802 53.950 52.037 0.185 0.000 0.646 81 A CB -0.746 18.298 19.000 0.074 0.000 0.806 81 A HN 0.672 nan 8.150 nan 0.000 0.448 82 T N -6.287 108.263 114.554 -0.007 0.000 2.853 82 T HA 0.510 4.859 4.350 -0.002 0.000 0.311 82 T C -2.729 171.660 174.700 -0.518 0.000 1.307 82 T CA -0.793 60.967 62.100 -0.566 0.000 1.019 82 T CB 1.906 70.587 68.868 -0.312 0.000 1.264 82 T HN -0.091 nan 8.240 nan 0.000 0.497 83 P HA 0.171 nan 4.420 nan 0.000 0.231 83 P C 0.384 177.563 177.300 -0.202 0.000 1.168 83 P CA 0.717 63.558 63.100 -0.432 0.000 0.779 83 P CB 0.196 31.584 31.700 -0.520 0.000 0.844 84 T N -0.497 113.928 114.554 -0.215 0.000 3.193 84 T HA 0.371 4.719 4.350 -0.002 0.000 0.332 84 T C -3.128 171.517 174.700 -0.092 0.000 1.208 84 T CA -1.658 60.379 62.100 -0.106 0.000 1.080 84 T CB 1.613 70.441 68.868 -0.066 0.000 1.180 84 T HN -0.300 nan 8.240 nan 0.000 0.469 85 P HA 0.234 nan 4.420 nan 0.000 0.249 85 P C -0.119 177.178 177.300 -0.006 0.000 1.686 85 P CA 0.011 63.098 63.100 -0.021 0.000 0.873 85 P CB -0.707 30.996 31.700 0.005 0.000 1.828 86 M N 0.474 120.063 119.600 -0.017 0.000 2.235 86 M HA 0.270 4.749 4.480 -0.002 0.000 0.351 86 M C 2.004 178.330 176.300 0.043 0.000 1.178 86 M CA -0.346 54.959 55.300 0.009 0.000 1.143 86 M CB 1.105 33.704 32.600 -0.001 0.000 1.530 86 M HN 0.038 nan 8.290 nan 0.000 0.461 87 M N 1.653 121.302 119.600 0.081 0.000 2.279 87 M HA -0.081 4.398 4.480 -0.002 0.000 0.264 87 M C 1.534 178.025 176.300 0.319 0.000 1.062 87 M CA 1.817 57.226 55.300 0.182 0.000 1.099 87 M CB -0.467 32.217 32.600 0.140 0.000 1.394 87 M HN 0.759 nan 8.290 nan 0.000 0.426 88 I N 1.197 121.885 120.570 0.196 0.000 2.756 88 I HA -0.128 4.041 4.170 -0.002 0.000 0.262 88 I C 1.085 177.186 176.117 -0.028 0.000 1.225 88 I CA 0.883 62.244 61.300 0.102 0.000 1.472 88 I CB 0.135 38.154 38.000 0.032 0.000 1.094 88 I HN 0.388 nan 8.210 nan 0.000 0.454 89 L N 1.375 122.610 121.223 0.019 0.000 2.741 89 L HA 0.286 4.625 4.340 -0.002 0.000 0.237 89 L C 0.224 177.109 176.870 0.026 0.000 1.178 89 L CA -0.227 54.599 54.840 -0.023 0.000 0.973 89 L CB -0.372 41.616 42.059 -0.119 0.000 1.255 89 L HN 0.247 nan 8.230 nan 0.000 0.498 90 M N -3.273 116.404 119.600 0.129 0.000 2.618 90 M HA 0.631 5.110 4.480 -0.002 0.000 0.281 90 M C -1.783 174.663 176.300 0.243 0.000 1.267 90 M CA -0.810 54.586 55.300 0.161 0.000 0.845 90 M CB 2.389 35.066 32.600 0.129 0.000 1.732 90 M HN -0.280 nan 8.290 nan 0.000 0.461 91 D N 1.048 121.562 120.400 0.191 0.000 2.385 91 D HA 0.627 5.266 4.640 -0.002 0.000 0.254 91 D C -2.608 173.788 176.300 0.159 0.000 1.053 91 D CA -1.264 52.835 54.000 0.165 0.000 0.992 91 D CB 0.932 41.820 40.800 0.147 0.000 1.145 91 D HN 0.351 nan 8.370 nan 0.000 0.523 92 P HA 0.089 nan 4.420 nan 0.000 0.267 92 P C -1.731 175.617 177.300 0.082 0.000 1.200 92 P CA -0.599 62.568 63.100 0.111 0.000 0.772 92 P CB 0.126 31.875 31.700 0.081 0.000 0.855 93 P HA 0.061 nan 4.420 nan 0.000 0.257 93 P C 0.417 177.742 177.300 0.042 0.000 1.241 93 P CA 0.634 63.763 63.100 0.048 0.000 0.816 93 P CB 0.397 32.116 31.700 0.030 0.000 1.150 94 D N -0.600 119.835 120.400 0.058 0.000 2.117 94 D HA -0.174 4.465 4.640 -0.002 0.000 0.198 94 D C 1.893 178.220 176.300 0.044 0.000 0.982 94 D CA 1.030 55.057 54.000 0.045 0.000 0.828 94 D CB -0.751 40.081 40.800 0.054 0.000 0.967 94 D HN 0.322 nan 8.370 nan 0.000 0.464 95 H N 0.745 119.829 119.070 0.023 0.000 2.352 95 H HA -0.105 4.450 4.556 -0.002 0.000 0.299 95 H C 1.422 176.738 175.328 -0.019 0.000 1.097 95 H CA 1.993 58.048 56.048 0.012 0.000 1.311 95 H CB 0.038 29.798 29.762 -0.004 0.000 1.377 95 H HN 0.034 nan 8.280 nan 0.000 0.504 96 T N 1.143 115.622 114.554 -0.125 0.000 2.684 96 T HA -0.162 4.186 4.350 -0.002 0.000 0.267 96 T C 2.174 176.776 174.700 -0.164 0.000 1.036 96 T CA 1.656 63.664 62.100 -0.153 0.000 1.148 96 T CB -0.200 68.662 68.868 -0.010 0.000 0.863 96 T HN 0.394 nan 8.240 nan 0.000 0.436 97 R N 0.685 121.127 120.500 -0.097 0.000 2.066 97 R HA 0.037 4.375 4.340 -0.002 0.000 0.232 97 R C 2.414 178.663 176.300 -0.085 0.000 1.131 97 R CA 1.112 57.172 56.100 -0.067 0.000 0.955 97 R CB -0.425 29.856 30.300 -0.033 0.000 0.851 97 R HN 0.349 nan 8.270 nan 0.000 0.432 98 L N 0.335 121.497 121.223 -0.102 0.000 2.056 98 L HA -0.116 4.222 4.340 -0.002 0.000 0.207 98 L C 2.841 179.639 176.870 -0.121 0.000 1.078 98 L CA 1.429 56.217 54.840 -0.087 0.000 0.749 98 L CB -0.437 41.587 42.059 -0.058 0.000 0.901 98 L HN 0.218 nan 8.230 nan 0.000 0.433 99 R N 0.662 121.012 120.500 -0.249 0.000 2.091 99 R HA -0.189 4.150 4.340 -0.002 0.000 0.238 99 R C 2.395 178.627 176.300 -0.115 0.000 1.136 99 R CA 1.429 57.384 56.100 -0.241 0.000 0.959 99 R CB -0.248 29.758 30.300 -0.490 0.000 0.856 99 R HN 0.034 nan 8.270 nan 0.000 0.437 100 K N 0.638 120.974 120.400 -0.107 0.000 2.103 100 K HA -0.154 4.165 4.320 -0.002 0.000 0.207 100 K C 1.954 178.543 176.600 -0.019 0.000 1.048 100 K CA 1.729 57.986 56.287 -0.049 0.000 0.930 100 K CB -0.239 32.232 32.500 -0.047 0.000 0.716 100 K HN 0.321 nan 8.250 nan 0.000 0.444 101 L N 0.543 121.754 121.223 -0.019 0.000 2.083 101 L HA -0.173 4.166 4.340 -0.002 0.000 0.209 101 L C 2.326 179.215 176.870 0.032 0.000 1.083 101 L CA 1.169 56.010 54.840 0.002 0.000 0.752 101 L CB -0.471 41.588 42.059 -0.001 0.000 0.899 101 L HN 0.018 nan 8.230 nan 0.000 0.433 102 V N -4.353 115.593 119.914 0.054 0.000 3.307 102 V HA 0.263 4.382 4.120 -0.002 0.000 0.253 102 V C 2.341 178.555 176.094 0.201 0.000 1.149 102 V CA 0.729 63.117 62.300 0.146 0.000 1.112 102 V CB -0.925 31.000 31.823 0.171 0.000 0.777 102 V HN 0.283 nan 8.190 nan 0.000 0.464 103 G N 2.635 111.499 108.800 0.107 0.000 2.513 103 G HA2 -0.360 3.599 3.960 -0.002 0.000 0.219 103 G HA3 -0.360 3.599 3.960 -0.002 0.000 0.219 103 G C 1.670 176.641 174.900 0.119 0.000 1.160 103 G CA 1.651 46.816 45.100 0.108 0.000 0.767 103 G HN 0.726 nan 8.290 nan 0.000 0.571 104 R N 0.136 120.678 120.500 0.070 0.000 2.120 104 R HA 0.073 4.412 4.340 -0.002 0.000 0.234 104 R C 2.318 178.623 176.300 0.008 0.000 1.123 104 R CA 1.680 57.801 56.100 0.034 0.000 0.975 104 R CB -0.624 29.683 30.300 0.011 0.000 0.866 104 R HN 0.223 nan 8.270 nan 0.000 0.446 105 S N -0.260 115.442 115.700 0.004 0.000 2.562 105 S HA 0.132 4.601 4.470 -0.002 0.000 0.221 105 S C 0.241 174.599 174.600 -0.403 0.000 0.975 105 S CA 0.449 58.541 58.200 -0.179 0.000 0.918 105 S CB 0.050 63.124 63.200 -0.210 0.000 0.772 105 S HN 0.278 nan 8.310 nan 0.000 0.531 106 F N 1.711 121.655 119.950 -0.010 0.000 2.791 106 F HA 0.189 4.714 4.527 -0.002 0.000 0.316 106 F C 1.180 176.976 175.800 -0.007 0.000 1.134 106 F CA -0.654 57.339 58.000 -0.012 0.000 1.222 106 F CB 0.015 39.005 39.000 -0.015 0.000 1.034 106 F HN -0.002 nan 8.300 nan 0.000 0.516 107 T N -2.857 111.754 114.554 0.095 0.000 2.856 107 T HA 0.119 4.468 4.350 -0.002 0.000 0.306 107 T C 1.534 176.267 174.700 0.054 0.000 1.062 107 T CA -0.474 61.668 62.100 0.069 0.000 1.083 107 T CB 1.405 70.294 68.868 0.034 0.000 0.984 107 T HN -0.056 nan 8.240 nan 0.000 0.542 108 V N 1.770 121.715 119.914 0.052 0.000 2.250 108 V HA -0.222 3.896 4.120 -0.002 0.000 0.250 108 V C 3.048 179.158 176.094 0.027 0.000 1.060 108 V CA 2.515 64.841 62.300 0.044 0.000 1.030 108 V CB -0.948 30.901 31.823 0.043 0.000 0.643 108 V HN 0.961 nan 8.190 nan 0.000 0.445 109 R N -0.616 119.894 120.500 0.018 0.000 2.081 109 R HA -0.153 4.185 4.340 -0.002 0.000 0.235 109 R C 2.552 178.849 176.300 -0.006 0.000 1.131 109 R CA 1.374 57.478 56.100 0.006 0.000 0.960 109 R CB -0.153 30.149 30.300 0.003 0.000 0.856 109 R HN 0.348 nan 8.270 nan 0.000 0.436 110 R N -0.238 120.252 120.500 -0.017 0.000 2.115 110 R HA -0.052 4.287 4.340 -0.002 0.000 0.230 110 R C 2.109 178.380 176.300 -0.049 0.000 1.111 110 R CA 1.035 57.107 56.100 -0.046 0.000 0.976 110 R CB -0.203 30.049 30.300 -0.080 0.000 0.870 110 R HN 0.307 nan 8.270 nan 0.000 0.445 111 M N 0.450 120.037 119.600 -0.022 0.000 2.236 111 M HA -0.046 4.432 4.480 -0.002 0.000 0.266 111 M C 1.499 177.800 176.300 0.002 0.000 1.070 111 M CA 1.066 56.362 55.300 -0.007 0.000 1.137 111 M CB -1.056 31.565 32.600 0.035 0.000 1.378 111 M HN -0.024 nan 8.290 nan 0.000 0.426 112 N N 1.050 119.756 118.700 0.009 0.000 2.205 112 N HA -0.166 4.573 4.740 -0.002 0.000 0.186 112 N C 1.455 176.966 175.510 0.003 0.000 1.015 112 N CA 1.116 54.173 53.050 0.012 0.000 0.862 112 N CB -0.253 38.243 38.487 0.015 0.000 0.986 112 N HN 0.501 nan 8.380 nan 0.000 0.429 113 E N -0.023 120.172 120.200 -0.008 0.000 2.338 113 E HA -0.019 4.329 4.350 -0.002 0.000 0.197 113 E C 1.469 178.059 176.600 -0.016 0.000 1.007 113 E CA 0.303 56.694 56.400 -0.014 0.000 0.849 113 E CB 0.053 29.738 29.700 -0.024 0.000 0.774 113 E HN 0.357 nan 8.360 nan 0.000 0.506 114 L N 0.411 121.623 121.223 -0.017 0.000 2.492 114 L HA -0.032 4.306 4.340 -0.002 0.000 0.223 114 L C 2.358 179.225 176.870 -0.006 0.000 1.132 114 L CA 0.384 55.214 54.840 -0.017 0.000 0.850 114 L CB -0.161 41.884 42.059 -0.023 0.000 0.966 114 L HN 0.177 nan 8.230 nan 0.000 0.454 115 E N 1.199 121.401 120.200 0.003 0.000 2.097 115 E HA -0.235 4.114 4.350 -0.002 0.000 0.196 115 E C -0.596 176.009 176.600 0.010 0.000 1.000 115 E CA 1.499 57.906 56.400 0.011 0.000 0.804 115 E CB -0.480 29.231 29.700 0.018 0.000 0.740 115 E HN 0.295 nan 8.360 nan 0.000 0.454 116 P HA -0.192 nan 4.420 nan 0.000 0.216 116 P C 1.124 178.426 177.300 0.004 0.000 1.153 116 P CA 1.644 64.747 63.100 0.006 0.000 0.858 116 P CB -0.056 31.646 31.700 0.003 0.000 0.789 117 R N -0.015 120.484 120.500 -0.002 0.000 2.073 117 R HA 0.006 4.345 4.340 -0.002 0.000 0.229 117 R C 2.169 178.464 176.300 -0.008 0.000 1.120 117 R CA 1.318 57.414 56.100 -0.006 0.000 0.967 117 R CB -1.533 28.759 30.300 -0.012 0.000 0.862 117 R HN 0.120 nan 8.270 nan 0.000 0.436 118 I N 0.032 120.597 120.570 -0.009 0.000 2.208 118 I HA -0.299 3.870 4.170 -0.002 0.000 0.245 118 I C 1.800 177.915 176.117 -0.004 0.000 1.097 118 I CA 1.919 63.211 61.300 -0.013 0.000 1.363 118 I CB -0.531 37.465 38.000 -0.007 0.000 1.051 118 I HN 0.214 nan 8.210 nan 0.000 0.413 119 T N -0.069 114.492 114.554 0.011 0.000 2.746 119 T HA -0.194 4.155 4.350 -0.002 0.000 0.267 119 T C 1.768 176.483 174.700 0.025 0.000 1.039 119 T CA 1.385 63.500 62.100 0.025 0.000 1.142 119 T CB -0.246 68.639 68.868 0.028 0.000 0.866 119 T HN 0.396 nan 8.240 nan 0.000 0.444 120 E N 0.458 120.667 120.200 0.015 0.000 2.038 120 E HA -0.096 4.253 4.350 -0.002 0.000 0.195 120 E C 2.183 178.791 176.600 0.013 0.000 1.000 120 E CA 1.077 57.485 56.400 0.014 0.000 0.803 120 E CB -0.285 29.419 29.700 0.006 0.000 0.750 120 E HN 0.457 nan 8.360 nan 0.000 0.448 121 I N 1.026 121.596 120.570 -0.001 0.000 2.118 121 I HA -0.342 3.827 4.170 -0.002 0.000 0.241 121 I C 2.566 178.683 176.117 0.001 0.000 1.070 121 I CA 1.237 62.529 61.300 -0.013 0.000 1.327 121 I CB -0.416 37.559 38.000 -0.042 0.000 1.034 121 I HN 0.125 nan 8.210 nan 0.000 0.405 122 A N 0.452 123.274 122.820 0.003 0.000 1.865 122 A HA -0.279 4.040 4.320 -0.002 0.000 0.217 122 A C 2.001 179.671 177.584 0.144 0.000 1.191 122 A CA 2.359 54.434 52.037 0.063 0.000 0.623 122 A CB -0.740 18.304 19.000 0.073 0.000 0.826 122 A HN 0.384 nan 8.150 nan 0.000 0.444 123 D N -0.566 119.887 120.400 0.088 0.000 2.144 123 D HA -0.063 4.575 4.640 -0.002 0.000 0.199 123 D C 2.095 178.432 176.300 0.061 0.000 0.984 123 D CA 1.377 55.421 54.000 0.073 0.000 0.834 123 D CB -0.718 40.111 40.800 0.048 0.000 0.955 123 D HN 0.441 nan 8.370 nan 0.000 0.465 124 G N 0.747 109.577 108.800 0.051 0.000 2.440 124 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.218 124 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.218 124 G C 1.794 176.728 174.900 0.056 0.000 1.154 124 G CA 0.366 45.491 45.100 0.041 0.000 0.767 124 G HN 0.259 nan 8.290 nan 0.000 0.552 125 L N -0.177 121.101 121.223 0.092 0.000 2.056 125 L HA 0.023 4.362 4.340 -0.002 0.000 0.207 125 L C 2.890 179.832 176.870 0.120 0.000 1.078 125 L CA 0.501 55.422 54.840 0.135 0.000 0.749 125 L CB -0.362 41.834 42.059 0.228 0.000 0.901 125 L HN 0.175 nan 8.230 nan 0.000 0.433 126 L N -0.488 120.807 121.223 0.119 0.000 2.083 126 L HA -0.175 4.164 4.340 -0.002 0.000 0.209 126 L C 2.855 179.723 176.870 -0.004 0.000 1.083 126 L CA 1.041 55.890 54.840 0.016 0.000 0.752 126 L CB -0.716 41.349 42.059 0.010 0.000 0.899 126 L HN 0.233 nan 8.230 nan 0.000 0.433 127 A N 0.138 122.968 122.820 0.017 0.000 1.933 127 A HA -0.113 4.205 4.320 -0.002 0.000 0.218 127 A C 2.314 179.898 177.584 0.001 0.000 1.175 127 A CA 1.790 53.831 52.037 0.006 0.000 0.628 127 A CB -0.990 18.018 19.000 0.013 0.000 0.814 127 A HN 0.445 nan 8.150 nan 0.000 0.444 128 G N -1.184 107.621 108.800 0.008 0.000 2.744 128 G HA2 0.335 4.294 3.960 -0.002 0.000 0.211 128 G HA3 0.335 4.294 3.960 -0.002 0.000 0.211 128 G C 0.561 175.459 174.900 -0.003 0.000 1.146 128 G CA -0.249 44.854 45.100 0.005 0.000 0.787 128 G HN 0.376 nan 8.290 nan 0.000 0.534 129 L N 2.310 123.525 121.223 -0.012 0.000 2.397 129 L HA 0.281 4.620 4.340 -0.002 0.000 0.271 129 L C -1.563 175.283 176.870 -0.039 0.000 1.148 129 L CA -1.731 53.092 54.840 -0.028 0.000 0.825 129 L CB 0.986 43.014 42.059 -0.052 0.000 1.117 129 L HN 0.020 nan 8.230 nan 0.000 0.456 130 P HA 0.080 nan 4.420 nan 0.000 0.274 130 P C 0.295 177.567 177.300 -0.047 0.000 1.231 130 P CA -0.420 62.658 63.100 -0.036 0.000 0.790 130 P CB 0.984 32.666 31.700 -0.030 0.000 0.951 131 T N -2.453 112.076 114.554 -0.041 0.000 3.014 131 T HA 0.025 4.374 4.350 -0.002 0.000 0.263 131 T C 0.458 175.132 174.700 -0.043 0.000 1.078 131 T CA 0.684 62.757 62.100 -0.045 0.000 1.135 131 T CB -0.237 68.609 68.868 -0.037 0.000 0.895 131 T HN 0.377 nan 8.240 nan 0.000 0.480 132 D N -0.375 120.004 120.400 -0.036 0.000 2.419 132 D HA 0.570 5.209 4.640 -0.002 0.000 0.234 132 D C 0.178 176.459 176.300 -0.032 0.000 1.014 132 D CA 0.756 54.737 54.000 -0.032 0.000 0.919 132 D CB 1.590 42.375 40.800 -0.025 0.000 1.366 132 D HN 0.536 nan 8.370 nan 0.000 0.490 133 G N 1.396 110.178 108.800 -0.030 0.000 2.758 133 G HA2 -0.050 3.909 3.960 -0.002 0.000 0.686 133 G HA3 -0.050 3.909 3.960 -0.002 0.000 0.686 133 G C -2.690 172.190 174.900 -0.033 0.000 1.389 133 G CA -0.663 44.420 45.100 -0.028 0.000 0.845 133 G HN 0.503 nan 8.290 nan 0.000 0.572 134 P HA 0.540 nan 4.420 nan 0.000 0.279 134 P C 0.050 177.329 177.300 -0.036 0.000 1.239 134 P CA -0.002 63.077 63.100 -0.035 0.000 0.789 134 P CB 1.581 33.262 31.700 -0.030 0.000 0.933 135 V N -0.689 119.200 119.914 -0.041 0.000 2.876 135 V HA 0.517 4.636 4.120 -0.002 0.000 0.312 135 V C -0.732 175.340 176.094 -0.035 0.000 1.085 135 V CA -1.080 61.198 62.300 -0.037 0.000 0.945 135 V CB 2.042 33.842 31.823 -0.039 0.000 1.017 135 V HN 0.366 nan 8.190 nan 0.000 0.428 136 D N 3.040 123.424 120.400 -0.027 0.000 2.374 136 D HA 0.184 4.823 4.640 -0.002 0.000 0.240 136 D C 0.704 177.002 176.300 -0.003 0.000 1.229 136 D CA -0.149 53.836 54.000 -0.025 0.000 0.895 136 D CB 1.285 42.065 40.800 -0.034 0.000 1.046 136 D HN 0.662 nan 8.370 nan 0.000 0.498 137 L N 4.591 125.812 121.223 -0.005 0.000 2.265 137 L HA -0.134 4.204 4.340 -0.002 0.000 0.215 137 L C 1.771 178.699 176.870 0.096 0.000 1.117 137 L CA 1.315 56.176 54.840 0.035 0.000 0.782 137 L CB -0.223 41.836 42.059 0.000 0.000 0.914 137 L HN 0.505 nan 8.230 nan 0.000 0.441 138 M N -0.954 118.676 119.600 0.050 0.000 2.062 138 M HA -0.163 4.316 4.480 -0.002 0.000 0.259 138 M C 2.423 178.779 176.300 0.093 0.000 1.076 138 M CA 1.598 56.936 55.300 0.064 0.000 1.122 138 M CB -1.374 31.225 32.600 -0.002 0.000 1.312 138 M HN 0.222 nan 8.290 nan 0.000 0.412 139 R N 0.375 120.887 120.500 0.019 0.000 2.091 139 R HA -0.145 4.194 4.340 -0.002 0.000 0.238 139 R C 1.765 178.135 176.300 0.116 0.000 1.136 139 R CA 1.350 57.458 56.100 0.013 0.000 0.959 139 R CB 0.078 30.338 30.300 -0.066 0.000 0.856 139 R HN 0.384 nan 8.270 nan 0.000 0.437 140 E N -1.564 118.698 120.200 0.103 0.000 2.371 140 E HA -0.129 4.219 4.350 -0.002 0.000 0.194 140 E C 0.588 177.313 176.600 0.207 0.000 1.012 140 E CA 0.865 57.339 56.400 0.123 0.000 0.860 140 E CB 0.290 30.038 29.700 0.080 0.000 0.811 140 E HN 0.476 nan 8.360 nan 0.000 0.502 141 Y N -0.650 119.677 120.300 0.045 0.000 3.260 141 Y HA 0.273 4.821 4.550 -0.003 0.000 0.202 141 Y C 2.151 178.079 175.900 0.046 0.000 0.962 141 Y CA 0.698 58.816 58.100 0.029 0.000 1.582 141 Y CB -0.238 38.222 38.460 0.001 0.000 1.478 141 Y HN -0.084 nan 8.280 nan 0.000 0.384 142 A N 0.536 123.433 122.820 0.129 0.000 1.908 142 A HA -0.221 4.098 4.320 -0.002 0.000 0.218 142 A C 1.946 179.555 177.584 0.042 0.000 1.181 142 A CA 1.980 54.046 52.037 0.049 0.000 0.627 142 A CB -1.321 17.756 19.000 0.128 0.000 0.818 142 A HN 0.651 nan 8.150 nan 0.000 0.445 143 F N 0.320 120.245 119.950 -0.042 0.000 2.163 143 F HA -0.128 4.399 4.527 -0.000 0.000 0.297 143 F C 2.477 178.220 175.800 -0.095 0.000 1.094 143 F CA 1.865 59.834 58.000 -0.052 0.000 1.290 143 F CB -0.131 38.852 39.000 -0.029 0.000 1.017 143 F HN 0.180 nan 8.300 nan 0.000 0.483 144 Q N 0.585 120.337 119.800 -0.080 0.000 2.079 144 Q HA -0.141 4.198 4.340 -0.002 0.000 0.200 144 Q C 2.491 178.337 176.000 -0.256 0.000 0.974 144 Q CA 1.873 57.570 55.803 -0.177 0.000 0.840 144 Q CB -0.572 28.140 28.738 -0.044 0.000 0.898 144 Q HN 0.512 nan 8.270 nan 0.000 0.430 145 I N 1.577 121.984 120.570 -0.273 0.000 2.113 145 I HA -0.235 3.934 4.170 -0.002 0.000 0.238 145 I C -0.617 175.369 176.117 -0.218 0.000 1.070 145 I CA 1.337 62.486 61.300 -0.252 0.000 1.332 145 I CB -1.544 36.271 38.000 -0.308 0.000 1.044 145 I HN 0.150 nan 8.210 nan 0.000 0.402 146 P HA -0.102 nan 4.420 nan 0.000 0.217 146 P C 1.966 179.095 177.300 -0.285 0.000 1.150 146 P CA 1.374 64.355 63.100 -0.199 0.000 0.832 146 P CB -0.094 31.511 31.700 -0.158 0.000 0.787 147 V N 0.733 120.354 119.914 -0.489 0.000 2.295 147 V HA -0.259 3.860 4.120 -0.002 0.000 0.246 147 V C 2.883 178.797 176.094 -0.299 0.000 1.049 147 V CA 1.851 63.784 62.300 -0.610 0.000 1.024 147 V CB -1.397 29.814 31.823 -1.020 0.000 0.648 147 V HN 0.137 nan 8.190 nan 0.000 0.447 148 Q N -0.332 119.329 119.800 -0.231 0.000 2.030 148 Q HA -0.203 4.136 4.340 -0.002 0.000 0.204 148 Q C 2.399 178.350 176.000 -0.083 0.000 0.986 148 Q CA 2.132 57.864 55.803 -0.118 0.000 0.843 148 Q CB -0.545 28.134 28.738 -0.100 0.000 0.904 148 Q HN 0.554 nan 8.270 nan 0.000 0.420 149 V N 0.901 120.758 119.914 -0.094 0.000 2.282 149 V HA -0.272 3.847 4.120 -0.002 0.000 0.249 149 V C 2.213 178.287 176.094 -0.034 0.000 1.057 149 V CA 1.703 63.969 62.300 -0.057 0.000 1.032 149 V CB -0.483 31.309 31.823 -0.052 0.000 0.645 149 V HN 0.292 nan 8.190 nan 0.000 0.447 150 I N -0.697 119.846 120.570 -0.044 0.000 2.353 150 I HA -0.172 3.996 4.170 -0.002 0.000 0.248 150 I C 2.365 178.487 176.117 0.009 0.000 1.119 150 I CA 1.313 62.614 61.300 0.001 0.000 1.417 150 I CB -0.427 37.577 38.000 0.007 0.000 1.078 150 I HN 0.321 nan 8.210 nan 0.000 0.421 151 C N 0.287 119.588 119.300 0.002 0.000 2.429 151 C HA -0.148 4.311 4.460 -0.002 0.000 0.277 151 C C 2.606 177.612 174.990 0.027 0.000 1.262 151 C CA 0.964 60.007 59.018 0.041 0.000 1.733 151 C CB -1.125 26.670 27.740 0.091 0.000 2.010 151 C HN 0.512 nan 8.230 nan 0.000 0.483 152 E N 0.207 120.412 120.200 0.008 0.000 2.047 152 E HA -0.194 4.155 4.350 -0.002 0.000 0.191 152 E C 2.024 178.618 176.600 -0.010 0.000 0.987 152 E CA 0.870 57.270 56.400 -0.000 0.000 0.799 152 E CB -0.306 29.388 29.700 -0.011 0.000 0.752 152 E HN 0.442 nan 8.360 nan 0.000 0.449 153 L N 1.092 122.306 121.223 -0.015 0.000 2.012 153 L HA -0.180 4.159 4.340 -0.002 0.000 0.210 153 L C 1.978 178.835 176.870 -0.021 0.000 1.073 153 L CA 1.713 56.533 54.840 -0.033 0.000 0.748 153 L CB -0.370 41.673 42.059 -0.027 0.000 0.891 153 L HN 0.118 nan 8.230 nan 0.000 0.431 154 L N -0.957 120.271 121.223 0.008 0.000 2.209 154 L HA 0.205 4.544 4.340 -0.002 0.000 0.207 154 L C 1.373 178.245 176.870 0.003 0.000 1.094 154 L CA 0.668 55.516 54.840 0.012 0.000 0.790 154 L CB -0.664 41.406 42.059 0.018 0.000 0.932 154 L HN 0.541 nan 8.230 nan 0.000 0.447 155 G N 1.059 109.865 108.800 0.009 0.000 2.288 155 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.205 155 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.205 155 G C -0.280 174.644 174.900 0.040 0.000 1.071 155 G CA -0.541 44.570 45.100 0.019 0.000 0.788 155 G HN 0.122 nan 8.290 nan 0.000 0.491 156 L N 0.490 121.746 121.223 0.055 0.000 2.292 156 L HA 0.426 4.765 4.340 -0.002 0.000 0.284 156 L C -1.718 175.274 176.870 0.202 0.000 1.065 156 L CA -2.171 52.734 54.840 0.108 0.000 0.806 156 L CB 1.135 43.183 42.059 -0.019 0.000 1.175 156 L HN -0.074 nan 8.230 nan 0.000 0.431 157 P HA -0.014 nan 4.420 nan 0.000 0.262 157 P C 0.356 177.810 177.300 0.255 0.000 1.199 157 P CA 0.080 63.326 63.100 0.242 0.000 0.763 157 P CB 1.065 32.928 31.700 0.272 0.000 0.790 158 A N 4.723 127.631 122.820 0.147 0.000 1.948 158 A HA -0.230 4.088 4.320 -0.002 0.000 0.220 158 A C 1.870 179.468 177.584 0.023 0.000 1.177 158 A CA 1.402 53.489 52.037 0.083 0.000 0.636 158 A CB -0.750 18.279 19.000 0.048 0.000 0.815 158 A HN 0.526 nan 8.150 nan 0.000 0.449 159 E N 0.157 120.382 120.200 0.042 0.000 2.265 159 E HA -0.163 4.186 4.350 -0.002 0.000 0.196 159 E C 0.654 177.223 176.600 -0.051 0.000 0.996 159 E CA 1.222 57.627 56.400 0.007 0.000 0.832 159 E CB -0.224 29.502 29.700 0.044 0.000 0.756 159 E HN 0.659 nan 8.360 nan 0.000 0.491 160 D N -0.187 120.179 120.400 -0.058 0.000 2.389 160 D HA 0.057 4.696 4.640 -0.002 0.000 0.206 160 D C 1.715 177.440 176.300 -0.958 0.000 1.055 160 D CA -0.108 53.735 54.000 -0.261 0.000 0.856 160 D CB 0.135 40.980 40.800 0.075 0.000 0.957 160 D HN 0.056 nan 8.370 nan 0.000 0.509 161 R N 1.083 121.025 120.500 -0.931 0.000 2.134 161 R HA -0.175 4.164 4.340 -0.002 0.000 0.248 161 R C 1.461 177.222 176.300 -0.898 0.000 1.143 161 R CA 1.523 56.901 56.100 -1.203 0.000 0.957 161 R CB -0.080 30.003 30.300 -0.362 0.000 0.867 161 R HN 0.056 nan 8.270 nan 0.000 0.441 162 D N 0.035 120.104 120.400 -0.552 0.000 2.218 162 D HA -0.123 4.515 4.640 -0.002 0.000 0.204 162 D C 1.286 177.242 176.300 -0.573 0.000 0.976 162 D CA 1.040 54.794 54.000 -0.409 0.000 0.853 162 D CB -0.197 40.444 40.800 -0.264 0.000 0.939 162 D HN 0.239 nan 8.370 nan 0.000 0.481 163 D N 0.001 119.921 120.400 -0.800 0.000 2.084 163 D HA -0.100 4.539 4.640 -0.002 0.000 0.199 163 D C 1.992 177.228 176.300 -1.774 0.000 0.981 163 D CA 0.705 54.018 54.000 -1.144 0.000 0.841 163 D CB -0.374 39.849 40.800 -0.961 0.000 0.997 163 D HN 0.357 nan 8.370 nan 0.000 0.454 164 F N 1.150 120.334 119.950 -1.277 0.000 2.604 164 F HA 0.171 4.699 4.527 0.001 0.000 0.298 164 F C 2.136 177.626 175.800 -0.515 0.000 1.131 164 F CA 0.062 57.530 58.000 -0.886 0.000 1.457 164 F CB -0.873 37.853 39.000 -0.456 0.000 1.095 164 F HN -0.241 nan 8.300 nan 0.000 0.574 165 S N 1.203 116.707 115.700 -0.327 0.000 2.355 165 S HA -0.098 4.371 4.470 -0.002 0.000 0.222 165 S C 2.448 176.997 174.600 -0.085 0.000 1.031 165 S CA 1.182 59.382 58.200 0.001 0.000 0.993 165 S CB -0.825 62.477 63.200 0.169 0.000 0.859 165 S HN 0.566 nan 8.310 nan 0.000 0.453 166 A N 1.473 124.125 122.820 -0.280 0.000 1.902 166 A HA -0.115 4.204 4.320 -0.002 0.000 0.217 166 A C 1.928 179.497 177.584 -0.025 0.000 1.181 166 A CA 1.377 53.296 52.037 -0.196 0.000 0.623 166 A CB -0.860 17.972 19.000 -0.280 0.000 0.818 166 A HN 0.652 nan 8.150 nan 0.000 0.443 167 W N -0.202 121.096 121.300 -0.003 0.000 2.381 167 W HA -0.052 4.606 4.660 -0.004 0.000 0.301 167 W C 2.906 179.428 176.519 0.005 0.000 1.205 167 W CA 0.777 58.126 57.345 0.007 0.000 1.285 167 W CB -1.637 27.835 29.460 0.019 0.000 1.133 167 W HN 0.427 nan 8.180 nan 0.000 0.521 168 S N 0.928 116.741 115.700 0.188 0.000 2.365 168 S HA -0.224 4.245 4.470 -0.002 0.000 0.225 168 S C 2.268 176.931 174.600 0.106 0.000 1.039 168 S CA 2.759 61.015 58.200 0.094 0.000 1.033 168 S CB -0.671 62.492 63.200 -0.062 0.000 0.887 168 S HN 0.271 nan 8.310 nan 0.000 0.447 169 S N 0.621 116.380 115.700 0.099 0.000 2.382 169 S HA -0.056 4.413 4.470 -0.002 0.000 0.228 169 S C 1.851 176.494 174.600 0.071 0.000 1.027 169 S CA 1.335 59.586 58.200 0.085 0.000 0.991 169 S CB -0.941 62.287 63.200 0.046 0.000 0.823 169 S HN 0.364 nan 8.310 nan 0.000 0.469 170 V N 2.319 122.283 119.914 0.083 0.000 2.332 170 V HA -0.131 3.987 4.120 -0.002 0.000 0.248 170 V C 2.522 178.659 176.094 0.071 0.000 1.055 170 V CA 1.862 64.207 62.300 0.076 0.000 1.038 170 V CB -0.878 31.007 31.823 0.104 0.000 0.651 170 V HN 0.512 nan 8.190 nan 0.000 0.450 171 L N 0.200 121.473 121.223 0.083 0.000 2.275 171 L HA -0.081 4.258 4.340 -0.002 0.000 0.215 171 L C 2.188 179.097 176.870 0.066 0.000 1.119 171 L CA 1.296 56.178 54.840 0.070 0.000 0.790 171 L CB -0.431 41.672 42.059 0.073 0.000 0.919 171 L HN 0.495 nan 8.230 nan 0.000 0.443 172 V N -5.667 114.290 119.914 0.072 0.000 3.570 172 V HA 0.202 4.321 4.120 -0.002 0.000 0.257 172 V C 0.681 176.816 176.094 0.069 0.000 1.272 172 V CA -0.207 62.139 62.300 0.077 0.000 1.079 172 V CB -0.045 31.835 31.823 0.095 0.000 0.829 172 V HN 0.070 nan 8.190 nan 0.000 0.454 173 D N 1.840 122.269 120.400 0.047 0.000 2.372 173 D HA 0.203 4.842 4.640 -0.002 0.000 0.243 173 D C -0.111 176.200 176.300 0.017 0.000 1.297 173 D CA 0.210 54.217 54.000 0.013 0.000 0.958 173 D CB 0.216 41.010 40.800 -0.011 0.000 1.114 173 D HN 0.218 nan 8.370 nan 0.000 0.496 174 D N -0.172 120.219 120.400 -0.015 0.000 3.085 174 D HA 0.115 4.753 4.640 -0.002 0.000 0.243 174 D C -0.422 175.882 176.300 0.008 0.000 1.232 174 D CA -0.002 54.005 54.000 0.012 0.000 0.913 174 D CB -0.447 40.365 40.800 0.020 0.000 1.108 174 D HN 0.045 nan 8.370 nan 0.000 0.468 175 S N 1.454 117.163 115.700 0.014 0.000 2.579 175 S HA 0.222 4.690 4.470 -0.002 0.000 0.275 175 S C -2.054 172.562 174.600 0.027 0.000 1.345 175 S CA -1.040 57.171 58.200 0.018 0.000 1.031 175 S CB 0.536 63.753 63.200 0.028 0.000 0.892 175 S HN 0.178 nan 8.310 nan 0.000 0.529 176 P HA 0.037 nan 4.420 nan 0.000 0.266 176 P C 0.473 177.793 177.300 0.033 0.000 1.186 176 P CA 0.104 63.221 63.100 0.028 0.000 0.767 176 P CB 0.249 31.963 31.700 0.024 0.000 0.820 177 A N 3.146 125.988 122.820 0.037 0.000 1.927 177 A HA -0.272 4.047 4.320 -0.002 0.000 0.220 177 A C 1.813 179.419 177.584 0.037 0.000 1.185 177 A CA 2.176 54.239 52.037 0.043 0.000 0.639 177 A CB -1.153 17.877 19.000 0.048 0.000 0.820 177 A HN 0.508 nan 8.150 nan 0.000 0.451 178 D N -0.004 120.414 120.400 0.029 0.000 2.117 178 D HA -0.111 4.528 4.640 -0.002 0.000 0.197 178 D C 1.408 177.721 176.300 0.022 0.000 0.987 178 D CA 1.455 55.469 54.000 0.023 0.000 0.829 178 D CB -0.414 40.398 40.800 0.019 0.000 0.961 178 D HN 0.424 nan 8.370 nan 0.000 0.460 179 D N 0.534 120.950 120.400 0.027 0.000 2.144 179 D HA -0.083 4.556 4.640 -0.002 0.000 0.200 179 D C 1.964 178.286 176.300 0.036 0.000 0.978 179 D CA 0.735 54.755 54.000 0.033 0.000 0.833 179 D CB -0.061 40.761 40.800 0.037 0.000 0.961 179 D HN 0.247 nan 8.370 nan 0.000 0.470 180 K N 0.478 120.900 120.400 0.036 0.000 2.057 180 K HA -0.061 4.258 4.320 -0.002 0.000 0.207 180 K C 1.794 178.407 176.600 0.021 0.000 1.049 180 K CA 0.663 56.972 56.287 0.038 0.000 0.931 180 K CB -0.045 32.479 32.500 0.041 0.000 0.714 180 K HN 0.088 nan 8.250 nan 0.000 0.440 181 N N 1.138 119.847 118.700 0.016 0.000 2.084 181 N HA -0.131 4.608 4.740 -0.002 0.000 0.190 181 N C 1.863 177.357 175.510 -0.027 0.000 1.030 181 N CA 1.335 54.384 53.050 -0.002 0.000 0.849 181 N CB -0.298 38.194 38.487 0.007 0.000 1.012 181 N HN 0.168 nan 8.380 nan 0.000 0.423 182 A N 1.331 124.137 122.820 -0.022 0.000 1.865 182 A HA -0.063 4.256 4.320 -0.002 0.000 0.217 182 A C 2.414 179.937 177.584 -0.102 0.000 1.191 182 A CA 2.273 54.282 52.037 -0.048 0.000 0.623 182 A CB -1.016 17.974 19.000 -0.017 0.000 0.826 182 A HN 0.333 nan 8.150 nan 0.000 0.444 183 A N -0.958 121.830 122.820 -0.054 0.000 1.940 183 A HA -0.162 4.156 4.320 -0.002 0.000 0.219 183 A C 2.301 179.813 177.584 -0.119 0.000 1.176 183 A CA 1.988 53.983 52.037 -0.069 0.000 0.631 183 A CB -0.530 18.537 19.000 0.110 0.000 0.814 183 A HN 0.626 nan 8.150 nan 0.000 0.446 184 M N -0.441 119.128 119.600 -0.052 0.000 2.175 184 M HA -0.081 4.398 4.480 -0.002 0.000 0.264 184 M C 2.070 178.330 176.300 -0.066 0.000 1.063 184 M CA 1.718 56.998 55.300 -0.034 0.000 1.119 184 M CB -0.391 32.199 32.600 -0.016 0.000 1.377 184 M HN 0.429 nan 8.290 nan 0.000 0.415 185 G N 0.571 109.307 108.800 -0.107 0.000 2.421 185 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.216 185 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.216 185 G C 1.496 176.292 174.900 -0.173 0.000 1.171 185 G CA 0.936 45.971 45.100 -0.109 0.000 0.775 185 G HN 0.449 nan 8.290 nan 0.000 0.543 186 K N -0.149 120.014 120.400 -0.395 0.000 2.026 186 K HA 0.091 4.410 4.320 -0.002 0.000 0.208 186 K C 2.481 178.585 176.600 -0.826 0.000 1.048 186 K CA 0.716 56.550 56.287 -0.754 0.000 0.929 186 K CB -0.342 31.350 32.500 -1.348 0.000 0.713 186 K HN 0.215 nan 8.250 nan 0.000 0.439 187 L N 0.576 121.425 121.223 -0.622 0.000 2.042 187 L HA -0.243 4.096 4.340 -0.002 0.000 0.210 187 L C 2.806 179.703 176.870 0.045 0.000 1.076 187 L CA 1.305 56.090 54.840 -0.091 0.000 0.749 187 L CB -0.425 41.696 42.059 0.103 0.000 0.893 187 L HN 0.426 nan 8.230 nan 0.000 0.432 188 H N -0.384 118.640 119.070 -0.077 0.000 2.321 188 H HA -0.141 4.413 4.556 -0.003 0.000 0.300 188 H C 1.919 177.228 175.328 -0.032 0.000 1.087 188 H CA 1.767 57.792 56.048 -0.038 0.000 1.319 188 H CB -0.012 29.719 29.762 -0.052 0.000 1.379 188 H HN 0.360 nan 8.280 nan 0.000 0.501 189 G N -0.027 108.790 108.800 0.029 0.000 2.480 189 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.216 189 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.216 189 G C 1.733 176.621 174.900 -0.020 0.000 1.200 189 G CA 0.932 46.028 45.100 -0.007 0.000 0.782 189 G HN 0.561 nan 8.290 nan 0.000 0.554 190 Y N 1.226 121.492 120.300 -0.056 0.000 2.069 190 Y HA -0.196 4.353 4.550 -0.001 0.000 0.278 190 Y C 2.537 178.465 175.900 0.046 0.000 1.175 190 Y CA 2.010 60.158 58.100 0.080 0.000 1.134 190 Y CB -0.328 38.321 38.460 0.314 0.000 0.965 190 Y HN 0.127 nan 8.280 nan 0.000 0.498 191 L N -1.184 120.019 121.223 -0.033 0.000 2.240 191 L HA -0.144 4.195 4.340 -0.002 0.000 0.211 191 L C 2.541 179.281 176.870 -0.218 0.000 1.106 191 L CA 0.986 55.741 54.840 -0.142 0.000 0.793 191 L CB -0.555 41.500 42.059 -0.007 0.000 0.927 191 L HN 0.106 nan 8.230 nan 0.000 0.446 192 S N -0.024 115.526 115.700 -0.250 0.000 2.348 192 S HA -0.186 4.283 4.470 -0.002 0.000 0.221 192 S C 1.532 176.029 174.600 -0.172 0.000 1.033 192 S CA 1.555 59.614 58.200 -0.233 0.000 1.010 192 S CB -0.247 62.792 63.200 -0.269 0.000 0.891 192 S HN 0.453 nan 8.310 nan 0.000 0.442 193 D N 1.537 121.833 120.400 -0.173 0.000 2.116 193 D HA -0.104 4.535 4.640 -0.002 0.000 0.193 193 D C 1.899 178.087 176.300 -0.187 0.000 0.998 193 D CA 0.682 54.590 54.000 -0.153 0.000 0.836 193 D CB -0.607 40.112 40.800 -0.136 0.000 0.951 193 D HN 0.236 nan 8.370 nan 0.000 0.449 194 L N 0.248 121.289 121.223 -0.303 0.000 2.083 194 L HA -0.155 4.184 4.340 -0.002 0.000 0.209 194 L C 2.331 179.111 176.870 -0.150 0.000 1.083 194 L CA 0.935 55.611 54.840 -0.273 0.000 0.752 194 L CB -0.157 41.659 42.059 -0.404 0.000 0.899 194 L HN 0.071 nan 8.230 nan 0.000 0.433 195 L N -0.867 120.274 121.223 -0.138 0.000 2.093 195 L HA -0.181 4.157 4.340 -0.002 0.000 0.208 195 L C 2.644 179.471 176.870 -0.071 0.000 1.085 195 L CA 0.730 55.516 54.840 -0.090 0.000 0.755 195 L CB -0.512 41.496 42.059 -0.085 0.000 0.904 195 L HN 0.216 nan 8.230 nan 0.000 0.435 196 E N 0.399 120.552 120.200 -0.078 0.000 2.038 196 E HA -0.266 4.083 4.350 -0.002 0.000 0.195 196 E C 2.277 178.850 176.600 -0.046 0.000 1.000 196 E CA 1.297 57.664 56.400 -0.056 0.000 0.803 196 E CB -0.149 29.518 29.700 -0.055 0.000 0.750 196 E HN 0.330 nan 8.360 nan 0.000 0.448 197 R N 0.576 121.044 120.500 -0.054 0.000 2.193 197 R HA -0.080 4.259 4.340 -0.002 0.000 0.229 197 R C 2.017 178.299 176.300 -0.030 0.000 1.110 197 R CA 1.113 57.190 56.100 -0.039 0.000 0.988 197 R CB 0.149 30.424 30.300 -0.041 0.000 0.871 197 R HN 0.009 nan 8.270 nan 0.000 0.458 198 K N -0.366 120.012 120.400 -0.037 0.000 2.361 198 K HA -0.038 4.280 4.320 -0.002 0.000 0.196 198 K C 1.880 178.466 176.600 -0.023 0.000 1.039 198 K CA 0.602 56.873 56.287 -0.027 0.000 1.001 198 K CB 0.297 32.779 32.500 -0.031 0.000 0.795 198 K HN 0.271 nan 8.250 nan 0.000 0.495 199 R N 0.252 120.737 120.500 -0.025 0.000 2.093 199 R HA 0.020 4.359 4.340 -0.002 0.000 0.224 199 R C 1.821 178.112 176.300 -0.015 0.000 1.101 199 R CA 1.355 57.444 56.100 -0.020 0.000 0.979 199 R CB -0.921 29.366 30.300 -0.021 0.000 0.877 199 R HN -0.107 nan 8.270 nan 0.000 0.441 200 T N 0.727 115.272 114.554 -0.015 0.000 2.674 200 T HA -0.153 4.195 4.350 -0.002 0.000 0.265 200 T C 0.675 175.370 174.700 -0.009 0.000 1.039 200 T CA 1.467 63.561 62.100 -0.011 0.000 1.150 200 T CB -0.055 68.807 68.868 -0.010 0.000 0.864 200 T HN 0.334 nan 8.240 nan 0.000 0.427 201 E N 1.554 121.748 120.200 -0.010 0.000 3.037 201 E HA 0.277 4.626 4.350 -0.002 0.000 0.220 201 E C -2.671 173.924 176.600 -0.008 0.000 1.142 201 E CA -2.094 54.302 56.400 -0.007 0.000 0.888 201 E CB 1.204 30.902 29.700 -0.004 0.000 1.329 201 E HN 0.220 nan 8.360 nan 0.000 0.409 202 P HA 0.070 nan 4.420 nan 0.000 0.274 202 P C -0.847 176.449 177.300 -0.007 0.000 1.264 202 P CA 0.017 63.111 63.100 -0.010 0.000 0.795 202 P CB 0.632 32.326 31.700 -0.010 0.000 1.064 203 D N -2.833 117.562 120.400 -0.008 0.000 2.825 203 D HA 0.205 4.844 4.640 -0.002 0.000 0.327 203 D C -0.516 175.777 176.300 -0.011 0.000 1.277 203 D CA -0.459 53.537 54.000 -0.007 0.000 0.950 203 D CB -0.303 40.495 40.800 -0.003 0.000 1.438 203 D HN 0.126 nan 8.370 nan 0.000 0.526 204 D N -1.128 119.264 120.400 -0.013 0.000 2.328 204 D HA 0.344 4.982 4.640 -0.002 0.000 0.221 204 D C -0.212 176.073 176.300 -0.026 0.000 1.072 204 D CA -0.020 53.968 54.000 -0.019 0.000 0.850 204 D CB 0.071 40.860 40.800 -0.018 0.000 0.922 204 D HN 0.593 nan 8.370 nan 0.000 0.516 205 A N -0.164 122.642 122.820 -0.022 0.000 2.281 205 A HA 0.409 4.728 4.320 -0.002 0.000 0.329 205 A C 1.229 178.796 177.584 -0.028 0.000 1.122 205 A CA -0.607 51.413 52.037 -0.028 0.000 0.850 205 A CB 0.594 19.584 19.000 -0.018 0.000 1.207 205 A HN 0.239 nan 8.150 nan 0.000 0.495 206 L N 0.837 122.038 121.223 -0.036 0.000 2.021 206 L HA -0.227 4.112 4.340 -0.002 0.000 0.215 206 L C 2.021 178.887 176.870 -0.007 0.000 1.074 206 L CA 1.845 56.668 54.840 -0.028 0.000 0.760 206 L CB -0.319 41.724 42.059 -0.027 0.000 0.889 206 L HN 0.797 nan 8.230 nan 0.000 0.433 207 L N -1.298 119.923 121.223 -0.003 0.000 2.083 207 L HA -0.220 4.119 4.340 -0.002 0.000 0.209 207 L C 2.608 179.471 176.870 -0.012 0.000 1.083 207 L CA 1.330 56.167 54.840 -0.005 0.000 0.752 207 L CB -0.589 41.464 42.059 -0.010 0.000 0.899 207 L HN 0.263 nan 8.230 nan 0.000 0.433 208 S N -0.625 115.067 115.700 -0.014 0.000 2.368 208 S HA -0.141 4.328 4.470 -0.002 0.000 0.224 208 S C 2.200 176.791 174.600 -0.014 0.000 1.029 208 S CA 1.436 59.627 58.200 -0.015 0.000 0.988 208 S CB -0.003 63.188 63.200 -0.015 0.000 0.838 208 S HN 0.394 nan 8.310 nan 0.000 0.462 209 S N 1.889 117.580 115.700 -0.015 0.000 2.368 209 S HA 0.010 4.479 4.470 -0.002 0.000 0.225 209 S C 1.796 176.390 174.600 -0.009 0.000 1.030 209 S CA 1.003 59.195 58.200 -0.014 0.000 0.999 209 S CB -0.434 62.754 63.200 -0.019 0.000 0.844 209 S HN 0.383 nan 8.310 nan 0.000 0.459 210 L N 0.900 122.120 121.223 -0.005 0.000 2.093 210 L HA 0.003 4.342 4.340 -0.002 0.000 0.208 210 L C 2.367 179.233 176.870 -0.007 0.000 1.085 210 L CA 0.752 55.591 54.840 -0.001 0.000 0.755 210 L CB -0.486 41.578 42.059 0.007 0.000 0.904 210 L HN 0.275 nan 8.230 nan 0.000 0.435 211 L N -0.140 121.076 121.223 -0.011 0.000 2.042 211 L HA -0.238 4.101 4.340 -0.002 0.000 0.210 211 L C 2.824 179.686 176.870 -0.013 0.000 1.076 211 L CA 1.322 56.153 54.840 -0.015 0.000 0.749 211 L CB -0.346 41.701 42.059 -0.020 0.000 0.893 211 L HN 0.281 nan 8.230 nan 0.000 0.432 212 A N -0.792 122.021 122.820 -0.012 0.000 1.883 212 A HA -0.184 4.135 4.320 -0.002 0.000 0.217 212 A C 2.219 179.798 177.584 -0.009 0.000 1.186 212 A CA 1.910 53.941 52.037 -0.010 0.000 0.624 212 A CB -0.847 18.146 19.000 -0.011 0.000 0.822 212 A HN 0.267 nan 8.150 nan 0.000 0.444 213 V N -0.626 119.284 119.914 -0.008 0.000 2.261 213 V HA -0.229 3.890 4.120 -0.002 0.000 0.246 213 V C 2.813 178.904 176.094 -0.006 0.000 1.047 213 V CA 2.390 64.686 62.300 -0.006 0.000 1.015 213 V CB -0.852 30.968 31.823 -0.005 0.000 0.642 213 V HN 0.648 nan 8.190 nan 0.000 0.446 214 S N -0.489 115.207 115.700 -0.007 0.000 2.370 214 S HA -0.255 4.214 4.470 -0.002 0.000 0.226 214 S C 1.737 176.332 174.600 -0.007 0.000 1.033 214 S CA 1.988 60.184 58.200 -0.007 0.000 1.011 214 S CB -0.478 62.716 63.200 -0.009 0.000 0.852 214 S HN 0.659 nan 8.310 nan 0.000 0.457 215 D N 0.684 121.079 120.400 -0.009 0.000 2.144 215 D HA -0.007 4.632 4.640 -0.002 0.000 0.200 215 D C 1.858 178.154 176.300 -0.007 0.000 0.978 215 D CA 1.072 55.067 54.000 -0.009 0.000 0.833 215 D CB -0.239 40.555 40.800 -0.010 0.000 0.961 215 D HN 0.482 nan 8.370 nan 0.000 0.470 216 M N -0.636 118.961 119.600 -0.006 0.000 2.349 216 M HA -0.011 4.468 4.480 -0.002 0.000 0.266 216 M C -0.018 176.280 176.300 -0.004 0.000 1.076 216 M CA 0.761 56.058 55.300 -0.005 0.000 1.126 216 M CB 0.592 33.188 32.600 -0.005 0.000 1.392 216 M HN -0.242 nan 8.290 nan 0.000 0.440 217 D N -0.593 119.804 120.400 -0.004 0.000 2.362 217 D HA 0.183 4.822 4.640 -0.002 0.000 0.232 217 D C 0.324 176.623 176.300 -0.002 0.000 1.329 217 D CA -0.012 53.986 54.000 -0.003 0.000 0.944 217 D CB 0.904 41.702 40.800 -0.003 0.000 1.471 217 D HN 0.153 nan 8.370 nan 0.000 0.533 218 G N 1.516 110.315 108.800 -0.001 0.000 2.776 218 G HA2 -0.141 3.818 3.960 -0.002 0.000 0.209 218 G HA3 -0.141 3.818 3.960 -0.002 0.000 0.209 218 G C 0.840 175.741 174.900 0.001 0.000 1.145 218 G CA 0.290 45.389 45.100 -0.000 0.000 0.791 218 G HN 0.394 nan 8.290 nan 0.000 0.530 219 D N 0.007 120.407 120.400 0.000 0.000 2.392 219 D HA 0.009 4.647 4.640 -0.002 0.000 0.206 219 D C 2.553 178.853 176.300 -0.000 0.000 1.046 219 D CA 0.123 54.123 54.000 0.001 0.000 0.865 219 D CB 0.207 41.008 40.800 0.001 0.000 0.969 219 D HN 0.501 nan 8.370 nan 0.000 0.509 220 R N 0.039 120.538 120.500 -0.002 0.000 2.189 220 R HA 0.161 4.500 4.340 -0.002 0.000 0.203 220 R C 0.614 176.912 176.300 -0.005 0.000 1.012 220 R CA 0.227 56.324 56.100 -0.004 0.000 1.015 220 R CB 0.818 31.114 30.300 -0.006 0.000 0.938 220 R HN -0.024 nan 8.270 nan 0.000 0.472 221 L N 2.795 124.017 121.223 -0.003 0.000 2.617 221 L HA 0.246 4.585 4.340 -0.002 0.000 0.259 221 L C -0.777 176.093 176.870 0.000 0.000 0.995 221 L CA -0.270 54.569 54.840 -0.001 0.000 0.899 221 L CB 1.925 43.982 42.059 -0.002 0.000 1.181 221 L HN 0.337 nan 8.230 nan 0.000 0.437 222 S N 2.367 118.069 115.700 0.003 0.000 2.608 222 S HA 0.097 4.566 4.470 -0.002 0.000 0.261 222 S C 0.948 175.551 174.600 0.005 0.000 1.314 222 S CA 0.195 58.398 58.200 0.006 0.000 0.992 222 S CB 1.691 64.897 63.200 0.011 0.000 0.935 222 S HN 0.695 nan 8.310 nan 0.000 0.564 223 Q N 0.730 120.534 119.800 0.006 0.000 2.030 223 Q HA -0.176 4.163 4.340 -0.002 0.000 0.204 223 Q C 1.805 177.811 176.000 0.010 0.000 0.986 223 Q CA 2.275 58.079 55.803 0.001 0.000 0.843 223 Q CB -0.481 28.259 28.738 0.003 0.000 0.904 223 Q HN 0.801 nan 8.270 nan 0.000 0.420 224 E N 0.384 120.604 120.200 0.035 0.000 2.106 224 E HA -0.158 4.191 4.350 -0.002 0.000 0.192 224 E C 1.914 178.543 176.600 0.049 0.000 0.984 224 E CA 1.172 57.614 56.400 0.069 0.000 0.806 224 E CB -0.095 29.652 29.700 0.079 0.000 0.750 224 E HN 0.612 nan 8.360 nan 0.000 0.458 225 E N 0.328 120.544 120.200 0.027 0.000 2.204 225 E HA -0.148 4.201 4.350 -0.002 0.000 0.194 225 E C 1.992 178.599 176.600 0.012 0.000 0.989 225 E CA 0.312 56.723 56.400 0.019 0.000 0.824 225 E CB 0.004 29.711 29.700 0.012 0.000 0.756 225 E HN 0.039 nan 8.360 nan 0.000 0.477 226 L N 0.161 121.387 121.223 0.005 0.000 2.068 226 L HA -0.107 4.231 4.340 -0.002 0.000 0.204 226 L C 2.118 178.980 176.870 -0.013 0.000 1.076 226 L CA 1.262 56.099 54.840 -0.005 0.000 0.753 226 L CB -0.227 41.824 42.059 -0.014 0.000 0.910 226 L HN -0.079 nan 8.230 nan 0.000 0.439 227 V N 0.295 120.192 119.914 -0.028 0.000 2.407 227 V HA -0.250 3.869 4.120 -0.002 0.000 0.248 227 V C 2.771 178.866 176.094 0.002 0.000 1.055 227 V CA 1.570 63.837 62.300 -0.056 0.000 1.049 227 V CB -1.434 30.289 31.823 -0.168 0.000 0.662 227 V HN 0.586 nan 8.190 nan 0.000 0.455 228 A N -0.492 122.347 122.820 0.033 0.000 1.929 228 A HA -0.191 4.127 4.320 -0.002 0.000 0.216 228 A C 2.143 179.741 177.584 0.023 0.000 1.176 228 A CA 2.026 54.088 52.037 0.040 0.000 0.628 228 A CB -0.458 18.564 19.000 0.037 0.000 0.816 228 A HN 0.479 nan 8.150 nan 0.000 0.444 229 M N 0.357 119.967 119.600 0.017 0.000 2.117 229 M HA -0.019 4.459 4.480 -0.002 0.000 0.262 229 M C 2.120 178.431 176.300 0.019 0.000 1.065 229 M CA 1.904 57.213 55.300 0.016 0.000 1.114 229 M CB -0.480 32.130 32.600 0.017 0.000 1.361 229 M HN 0.338 nan 8.290 nan 0.000 0.408 230 A N -0.066 122.763 122.820 0.015 0.000 1.902 230 A HA -0.189 4.130 4.320 -0.002 0.000 0.217 230 A C 2.345 179.937 177.584 0.013 0.000 1.181 230 A CA 2.010 54.055 52.037 0.012 0.000 0.623 230 A CB -0.858 18.140 19.000 -0.003 0.000 0.818 230 A HN 0.688 nan 8.150 nan 0.000 0.443 231 M N -1.055 118.557 119.600 0.021 0.000 2.065 231 M HA -0.156 4.323 4.480 -0.002 0.000 0.259 231 M C 2.135 178.452 176.300 0.027 0.000 1.069 231 M CA 2.071 57.390 55.300 0.032 0.000 1.110 231 M CB -0.259 32.371 32.600 0.049 0.000 1.328 231 M HN 0.448 nan 8.290 nan 0.000 0.405 232 L N 0.950 122.186 121.223 0.022 0.000 1.971 232 L HA -0.235 4.104 4.340 -0.002 0.000 0.215 232 L C 2.062 178.939 176.870 0.012 0.000 1.072 232 L CA 2.018 56.868 54.840 0.016 0.000 0.758 232 L CB -0.996 41.068 42.059 0.008 0.000 0.889 232 L HN 0.377 nan 8.230 nan 0.000 0.433 233 L N -1.178 120.049 121.223 0.007 0.000 2.042 233 L HA -0.248 4.091 4.340 -0.002 0.000 0.210 233 L C 2.609 179.509 176.870 0.050 0.000 1.076 233 L CA 1.573 56.421 54.840 0.012 0.000 0.749 233 L CB -0.663 41.424 42.059 0.046 0.000 0.893 233 L HN 0.422 nan 8.230 nan 0.000 0.432 234 L N 0.011 121.259 121.223 0.043 0.000 1.989 234 L HA -0.253 4.086 4.340 -0.002 0.000 0.211 234 L C 2.523 179.473 176.870 0.133 0.000 1.071 234 L CA 1.603 56.479 54.840 0.060 0.000 0.749 234 L CB -0.120 41.902 42.059 -0.062 0.000 0.890 234 L HN 0.110 nan 8.230 nan 0.000 0.431 235 I N -0.024 120.586 120.570 0.067 0.000 2.179 235 I HA -0.307 3.861 4.170 -0.002 0.000 0.242 235 I C 2.787 178.980 176.117 0.127 0.000 1.088 235 I CA 1.176 62.528 61.300 0.086 0.000 1.357 235 I CB -0.648 37.390 38.000 0.063 0.000 1.051 235 I HN 0.369 nan 8.210 nan 0.000 0.409 236 A N 0.933 123.805 122.820 0.086 0.000 1.948 236 A HA -0.190 4.128 4.320 -0.002 0.000 0.220 236 A C 2.393 180.032 177.584 0.091 0.000 1.177 236 A CA 2.106 54.184 52.037 0.069 0.000 0.636 236 A CB -1.443 17.562 19.000 0.009 0.000 0.815 236 A HN 0.500 nan 8.150 nan 0.000 0.449 237 G N -2.522 106.348 108.800 0.118 0.000 2.484 237 G HA2 -0.093 3.866 3.960 -0.002 0.000 0.218 237 G HA3 -0.093 3.866 3.960 -0.002 0.000 0.218 237 G C 1.349 176.259 174.900 0.016 0.000 1.130 237 G CA 0.860 46.005 45.100 0.076 0.000 0.784 237 G HN 0.771 nan 8.290 nan 0.000 0.543 238 H N -0.562 118.521 119.070 0.023 0.000 2.654 238 H HA 0.146 4.701 4.556 -0.003 0.000 0.264 238 H C 1.161 176.573 175.328 0.141 0.000 0.954 238 H CA 0.585 56.662 56.048 0.049 0.000 1.199 238 H CB 0.944 30.802 29.762 0.159 0.000 1.446 238 H HN 0.307 nan 8.280 nan 0.000 0.516 239 E N 0.336 120.675 120.200 0.231 0.000 2.601 239 E HA 0.055 4.404 4.350 -0.002 0.000 0.219 239 E C 1.326 178.022 176.600 0.159 0.000 0.964 239 E CA 0.364 56.886 56.400 0.202 0.000 1.050 239 E CB 1.039 30.848 29.700 0.181 0.000 1.068 239 E HN 0.466 nan 8.360 nan 0.000 0.496 240 T N -2.667 111.969 114.554 0.138 0.000 3.397 240 T HA 0.020 4.369 4.350 -0.002 0.000 0.233 240 T C 1.996 176.774 174.700 0.129 0.000 0.969 240 T CA 0.773 62.954 62.100 0.135 0.000 1.316 240 T CB -0.523 68.425 68.868 0.134 0.000 1.175 240 T HN -0.165 nan 8.240 nan 0.000 0.381 241 T N 2.440 117.061 114.554 0.110 0.000 2.803 241 T HA -0.080 4.269 4.350 -0.002 0.000 0.269 241 T C 1.992 176.741 174.700 0.081 0.000 1.052 241 T CA 1.293 63.452 62.100 0.099 0.000 1.136 241 T CB -0.778 68.130 68.868 0.066 0.000 0.864 241 T HN 0.254 nan 8.240 nan 0.000 0.467 242 V N 2.603 122.564 119.914 0.077 0.000 2.370 242 V HA -0.255 3.864 4.120 -0.002 0.000 0.252 242 V C 1.831 177.992 176.094 0.112 0.000 1.068 242 V CA 1.963 64.323 62.300 0.099 0.000 1.061 242 V CB -0.474 31.454 31.823 0.174 0.000 0.656 242 V HN 0.492 nan 8.190 nan 0.000 0.455 243 N N -0.484 118.289 118.700 0.122 0.000 2.415 243 N HA -0.003 4.736 4.740 -0.002 0.000 0.176 243 N C 1.543 177.122 175.510 0.115 0.000 1.042 243 N CA 1.109 54.234 53.050 0.125 0.000 0.902 243 N CB -0.041 38.533 38.487 0.145 0.000 0.986 243 N HN 0.486 nan 8.380 nan 0.000 0.447 244 L N 1.739 123.027 121.223 0.108 0.000 1.989 244 L HA -0.028 4.311 4.340 -0.002 0.000 0.211 244 L C 1.883 178.805 176.870 0.087 0.000 1.071 244 L CA 1.444 56.345 54.840 0.102 0.000 0.749 244 L CB -0.731 41.398 42.059 0.117 0.000 0.890 244 L HN 0.008 nan 8.230 nan 0.000 0.431 245 I N -0.500 120.124 120.570 0.090 0.000 2.142 245 I HA -0.210 3.958 4.170 -0.002 0.000 0.240 245 I C 2.550 178.712 176.117 0.075 0.000 1.078 245 I CA 1.379 62.733 61.300 0.090 0.000 1.343 245 I CB -1.338 36.715 38.000 0.088 0.000 1.046 245 I HN 0.408 nan 8.210 nan 0.000 0.405 246 G N 1.128 109.976 108.800 0.081 0.000 2.459 246 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.217 246 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.217 246 G C 1.430 176.361 174.900 0.052 0.000 1.183 246 G CA 1.029 46.169 45.100 0.068 0.000 0.776 246 G HN 0.308 nan 8.290 nan 0.000 0.552 247 N N 1.056 119.798 118.700 0.069 0.000 2.216 247 N HA -0.036 4.703 4.740 -0.002 0.000 0.183 247 N C 2.292 177.765 175.510 -0.062 0.000 1.017 247 N CA 1.219 54.319 53.050 0.085 0.000 0.861 247 N CB -0.770 37.804 38.487 0.146 0.000 0.986 247 N HN 0.321 nan 8.380 nan 0.000 0.428 248 G N 0.828 109.489 108.800 -0.231 0.000 2.404 248 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.215 248 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.215 248 G C 1.688 176.120 174.900 -0.780 0.000 1.174 248 G CA 0.657 45.198 45.100 -0.932 0.000 0.780 248 G HN 0.157 nan 8.290 nan 0.000 0.537 249 V N 0.854 120.631 119.914 -0.227 0.000 2.282 249 V HA -0.186 3.933 4.120 -0.002 0.000 0.249 249 V C 2.729 178.857 176.094 0.056 0.000 1.057 249 V CA 1.829 64.171 62.300 0.069 0.000 1.032 249 V CB -0.548 31.360 31.823 0.141 0.000 0.645 249 V HN 0.339 nan 8.190 nan 0.000 0.447 250 L N 0.564 121.799 121.223 0.020 0.000 2.083 250 L HA -0.080 4.259 4.340 -0.002 0.000 0.209 250 L C 2.447 179.375 176.870 0.096 0.000 1.083 250 L CA 2.218 57.103 54.840 0.075 0.000 0.752 250 L CB -0.972 41.151 42.059 0.106 0.000 0.899 250 L HN 0.238 nan 8.230 nan 0.000 0.433 251 A N -0.401 122.430 122.820 0.017 0.000 1.865 251 A HA -0.222 4.097 4.320 -0.002 0.000 0.217 251 A C 2.263 179.900 177.584 0.089 0.000 1.191 251 A CA 2.233 54.307 52.037 0.062 0.000 0.623 251 A CB -0.981 17.944 19.000 -0.125 0.000 0.826 251 A HN 0.491 nan 8.150 nan 0.000 0.444 252 L N -0.722 120.449 121.223 -0.087 0.000 2.046 252 L HA -0.162 4.176 4.340 -0.002 0.000 0.208 252 L C 2.554 179.462 176.870 0.064 0.000 1.077 252 L CA 0.948 55.741 54.840 -0.079 0.000 0.747 252 L CB -0.518 41.282 42.059 -0.432 0.000 0.896 252 L HN 0.377 nan 8.230 nan 0.000 0.432 253 L N -0.376 120.932 121.223 0.141 0.000 2.131 253 L HA -0.164 4.175 4.340 -0.002 0.000 0.210 253 L C 2.567 179.486 176.870 0.082 0.000 1.092 253 L CA 1.838 56.766 54.840 0.147 0.000 0.759 253 L CB -0.773 41.369 42.059 0.139 0.000 0.903 253 L HN 0.475 nan 8.230 nan 0.000 0.435 254 T N -5.356 109.249 114.554 0.085 0.000 3.081 254 T HA -0.019 4.330 4.350 -0.002 0.000 0.250 254 T C 0.377 174.917 174.700 -0.266 0.000 1.100 254 T CA 0.113 62.190 62.100 -0.038 0.000 1.038 254 T CB -0.222 68.642 68.868 -0.006 0.000 0.962 254 T HN 0.265 nan 8.240 nan 0.000 0.516 255 H N 1.525 120.588 119.070 -0.011 0.000 2.348 255 H HA 0.345 4.900 4.556 -0.002 0.000 0.232 255 H C -1.993 173.313 175.328 -0.037 0.000 1.419 255 H CA -2.075 53.951 56.048 -0.038 0.000 1.416 255 H CB 1.201 30.909 29.762 -0.091 0.000 1.510 255 H HN 0.075 nan 8.280 nan 0.000 0.507 256 P HA -0.237 nan 4.420 nan 0.000 0.217 256 P C 1.280 178.591 177.300 0.019 0.000 1.148 256 P CA 1.400 64.516 63.100 0.026 0.000 0.828 256 P CB 0.499 32.206 31.700 0.012 0.000 0.783 257 D N -0.148 120.265 120.400 0.022 0.000 2.123 257 D HA -0.224 4.414 4.640 -0.002 0.000 0.196 257 D C 1.660 177.955 176.300 -0.009 0.000 0.992 257 D CA 1.319 55.324 54.000 0.008 0.000 0.833 257 D CB -0.707 40.099 40.800 0.010 0.000 0.954 257 D HN 0.135 nan 8.370 nan 0.000 0.455 258 Q N 0.378 120.175 119.800 -0.005 0.000 2.123 258 Q HA -0.024 4.315 4.340 -0.002 0.000 0.199 258 Q C 2.382 178.345 176.000 -0.062 0.000 0.966 258 Q CA 0.545 56.318 55.803 -0.049 0.000 0.845 258 Q CB -0.420 28.271 28.738 -0.078 0.000 0.907 258 Q HN 0.458 nan 8.270 nan 0.000 0.439 259 R N 1.169 121.635 120.500 -0.057 0.000 2.091 259 R HA -0.150 4.189 4.340 -0.002 0.000 0.238 259 R C 2.189 178.454 176.300 -0.059 0.000 1.136 259 R CA 1.682 57.718 56.100 -0.107 0.000 0.959 259 R CB -0.006 30.256 30.300 -0.063 0.000 0.856 259 R HN 0.079 nan 8.270 nan 0.000 0.437 260 K N 0.508 120.893 120.400 -0.024 0.000 2.063 260 K HA -0.139 4.179 4.320 -0.002 0.000 0.208 260 K C 2.191 178.778 176.600 -0.021 0.000 1.048 260 K CA 1.427 57.707 56.287 -0.011 0.000 0.928 260 K CB -0.131 32.366 32.500 -0.005 0.000 0.713 260 K HN 0.194 nan 8.250 nan 0.000 0.442 261 L N 0.638 121.841 121.223 -0.034 0.000 2.012 261 L HA -0.227 4.112 4.340 -0.002 0.000 0.210 261 L C 2.538 179.383 176.870 -0.042 0.000 1.073 261 L CA 0.931 55.747 54.840 -0.040 0.000 0.748 261 L CB -0.498 41.527 42.059 -0.055 0.000 0.891 261 L HN 0.303 nan 8.230 nan 0.000 0.431 262 L N -0.074 121.115 121.223 -0.056 0.000 2.093 262 L HA -0.108 4.230 4.340 -0.002 0.000 0.208 262 L C 2.586 179.443 176.870 -0.021 0.000 1.085 262 L CA 1.857 56.665 54.840 -0.053 0.000 0.755 262 L CB -0.578 41.428 42.059 -0.089 0.000 0.904 262 L HN 0.135 nan 8.230 nan 0.000 0.435 263 A N -0.656 122.157 122.820 -0.012 0.000 1.902 263 A HA -0.213 4.105 4.320 -0.002 0.000 0.217 263 A C 2.165 179.757 177.584 0.013 0.000 1.181 263 A CA 1.836 53.884 52.037 0.019 0.000 0.623 263 A CB -0.595 18.424 19.000 0.032 0.000 0.818 263 A HN 0.605 nan 8.150 nan 0.000 0.443 264 E N -0.938 119.263 120.200 0.001 0.000 2.152 264 E HA -0.109 4.239 4.350 -0.002 0.000 0.192 264 E C -0.117 176.482 176.600 -0.002 0.000 0.983 264 E CA 0.996 57.396 56.400 -0.000 0.000 0.818 264 E CB 0.084 29.781 29.700 -0.005 0.000 0.758 264 E HN 0.493 nan 8.360 nan 0.000 0.467 265 D N -0.773 119.622 120.400 -0.008 0.000 2.378 265 D HA 0.133 4.772 4.640 -0.002 0.000 0.265 265 D C -2.198 174.098 176.300 -0.007 0.000 1.229 265 D CA -2.423 51.571 54.000 -0.009 0.000 0.914 265 D CB 1.100 41.890 40.800 -0.017 0.000 1.140 265 D HN -0.251 nan 8.370 nan 0.000 0.516 266 P HA -0.160 nan 4.420 nan 0.000 0.218 266 P C 1.339 178.646 177.300 0.011 0.000 1.146 266 P CA 1.012 64.121 63.100 0.016 0.000 0.813 266 P CB 0.149 31.866 31.700 0.029 0.000 0.778 267 S N -1.094 114.608 115.700 0.004 0.000 2.507 267 S HA -0.070 4.398 4.470 -0.002 0.000 0.235 267 S C 1.713 176.305 174.600 -0.012 0.000 0.988 267 S CA 0.606 58.807 58.200 0.001 0.000 0.944 267 S CB -1.513 61.687 63.200 0.001 0.000 0.762 267 S HN 0.120 nan 8.310 nan 0.000 0.526 268 L N 0.388 121.595 121.223 -0.026 0.000 2.633 268 L HA 0.061 4.399 4.340 -0.002 0.000 0.235 268 L C 2.214 179.041 176.870 -0.071 0.000 1.163 268 L CA 0.282 55.090 54.840 -0.054 0.000 0.859 268 L CB -0.558 41.459 42.059 -0.070 0.000 0.973 268 L HN 0.342 nan 8.230 nan 0.000 0.451 269 I N -0.665 119.884 120.570 -0.034 0.000 2.286 269 I HA -0.270 3.899 4.170 -0.002 0.000 0.248 269 I C 2.448 178.541 176.117 -0.040 0.000 1.115 269 I CA 1.511 62.799 61.300 -0.020 0.000 1.392 269 I CB -0.018 38.007 38.000 0.042 0.000 1.065 269 I HN 0.091 nan 8.210 nan 0.000 0.418 270 S N -0.542 115.144 115.700 -0.022 0.000 2.368 270 S HA -0.194 4.275 4.470 -0.002 0.000 0.225 270 S C 2.135 176.702 174.600 -0.056 0.000 1.030 270 S CA 1.571 59.764 58.200 -0.012 0.000 0.999 270 S CB -0.551 62.657 63.200 0.014 0.000 0.844 270 S HN 0.613 nan 8.310 nan 0.000 0.459 271 S N 1.200 116.850 115.700 -0.085 0.000 2.406 271 S HA 0.040 4.509 4.470 -0.002 0.000 0.228 271 S C 2.021 176.468 174.600 -0.255 0.000 1.020 271 S CA 0.978 59.105 58.200 -0.122 0.000 0.965 271 S CB -0.392 62.746 63.200 -0.102 0.000 0.798 271 S HN 0.505 nan 8.310 nan 0.000 0.488 272 A N 0.812 123.424 122.820 -0.347 0.000 1.902 272 A HA -0.001 4.318 4.320 -0.002 0.000 0.217 272 A C 2.302 179.235 177.584 -1.085 0.000 1.181 272 A CA 1.738 53.328 52.037 -0.745 0.000 0.623 272 A CB -1.034 17.605 19.000 -0.601 0.000 0.818 272 A HN 0.438 nan 8.150 nan 0.000 0.443 273 V N 0.403 120.018 119.914 -0.498 0.000 2.427 273 V HA -0.191 3.928 4.120 -0.002 0.000 0.248 273 V C 2.517 178.473 176.094 -0.230 0.000 1.051 273 V CA 2.032 64.204 62.300 -0.213 0.000 1.048 273 V CB -0.663 31.180 31.823 0.034 0.000 0.666 273 V HN 0.520 nan 8.190 nan 0.000 0.456 274 E N -0.016 120.058 120.200 -0.209 0.000 2.110 274 E HA -0.244 4.105 4.350 -0.002 0.000 0.193 274 E C 2.185 178.647 176.600 -0.230 0.000 0.988 274 E CA 1.399 57.693 56.400 -0.177 0.000 0.804 274 E CB -0.147 29.559 29.700 0.010 0.000 0.745 274 E HN 0.675 nan 8.360 nan 0.000 0.458 275 E N 0.334 120.358 120.200 -0.292 0.000 2.107 275 E HA -0.081 4.268 4.350 -0.002 0.000 0.191 275 E C 1.885 178.417 176.600 -0.113 0.000 0.982 275 E CA 0.809 57.071 56.400 -0.230 0.000 0.809 275 E CB -0.381 29.120 29.700 -0.330 0.000 0.756 275 E HN 0.278 nan 8.360 nan 0.000 0.459 276 F N 0.196 120.092 119.950 -0.091 0.000 2.134 276 F HA -0.138 4.388 4.527 -0.001 0.000 0.299 276 F C 2.176 177.930 175.800 -0.077 0.000 1.097 276 F CA 0.443 58.421 58.000 -0.038 0.000 1.264 276 F CB -0.284 38.693 39.000 -0.037 0.000 1.001 276 F HN 0.009 nan 8.300 nan 0.000 0.479 277 L N 0.038 121.182 121.223 -0.133 0.000 2.043 277 L HA -0.277 4.062 4.340 -0.002 0.000 0.212 277 L C 2.705 179.382 176.870 -0.322 0.000 1.075 277 L CA 1.475 55.989 54.840 -0.543 0.000 0.752 277 L CB -0.543 40.597 42.059 -1.531 0.000 0.891 277 L HN 0.119 nan 8.230 nan 0.000 0.432 278 R N -0.615 119.822 120.500 -0.106 0.000 2.062 278 R HA -0.178 4.161 4.340 -0.002 0.000 0.226 278 R C 2.428 178.899 176.300 0.284 0.000 1.125 278 R CA 1.447 57.732 56.100 0.308 0.000 0.966 278 R CB -0.352 30.202 30.300 0.424 0.000 0.861 278 R HN 0.206 nan 8.270 nan 0.000 0.433 279 F N 0.990 120.987 119.950 0.080 0.000 2.171 279 F HA -0.126 4.400 4.527 -0.002 0.000 0.300 279 F C 0.262 176.086 175.800 0.039 0.000 1.090 279 F CA 1.443 59.464 58.000 0.036 0.000 1.293 279 F CB 0.221 39.227 39.000 0.011 0.000 1.013 279 F HN -0.001 nan 8.300 nan 0.000 0.486 280 D N -0.126 120.360 120.400 0.144 0.000 2.978 280 D HA 0.136 4.775 4.640 -0.002 0.000 0.268 280 D C -0.911 175.492 176.300 0.172 0.000 1.252 280 D CA -0.071 54.012 54.000 0.138 0.000 0.771 280 D CB 0.398 41.295 40.800 0.162 0.000 1.361 280 D HN -0.153 nan 8.370 nan 0.000 0.558 281 S N 1.994 117.795 115.700 0.168 0.000 2.596 281 S HA 0.043 4.512 4.470 -0.002 0.000 0.298 281 S C -1.383 173.294 174.600 0.127 0.000 1.255 281 S CA -0.591 57.688 58.200 0.132 0.000 1.083 281 S CB 1.128 64.424 63.200 0.160 0.000 0.837 281 S HN 0.351 nan 8.310 nan 0.000 0.499 282 P HA -0.038 nan 4.420 nan 0.000 0.217 282 P C 0.001 177.387 177.300 0.143 0.000 1.150 282 P CA 0.658 63.835 63.100 0.129 0.000 0.832 282 P CB 0.137 31.906 31.700 0.116 0.000 0.787 283 V N 1.027 121.022 119.914 0.136 0.000 2.320 283 V HA 0.057 4.176 4.120 -0.002 0.000 0.265 283 V C 1.543 177.722 176.094 0.142 0.000 1.048 283 V CA 0.321 62.708 62.300 0.144 0.000 0.865 283 V CB 0.433 32.340 31.823 0.140 0.000 1.043 283 V HN 0.147 nan 8.190 nan 0.000 0.474 284 S N 4.137 119.935 115.700 0.164 0.000 2.357 284 S HA 0.002 4.471 4.470 -0.002 0.000 0.221 284 S C 0.624 175.300 174.600 0.126 0.000 1.031 284 S CA 0.251 58.547 58.200 0.161 0.000 0.982 284 S CB -0.015 63.339 63.200 0.256 0.000 0.853 284 S HN 0.672 nan 8.310 nan 0.000 0.458 285 Q N 0.531 120.431 119.800 0.165 0.000 2.337 285 Q HA 0.769 5.108 4.340 -0.002 0.000 0.270 285 Q C -0.661 175.391 176.000 0.087 0.000 1.043 285 Q CA -0.122 55.747 55.803 0.111 0.000 0.794 285 Q CB 1.857 30.688 28.738 0.155 0.000 1.281 285 Q HN 0.479 nan 8.270 nan 0.000 0.446 286 A N 3.817 126.670 122.820 0.055 0.000 2.507 286 A HA 0.373 4.692 4.320 -0.002 0.000 0.235 286 A C -1.976 175.612 177.584 0.006 0.000 1.070 286 A CA -0.662 51.413 52.037 0.064 0.000 0.768 286 A CB -0.608 18.446 19.000 0.090 0.000 1.011 286 A HN 0.536 nan 8.150 nan 0.000 0.502 287 P HA 0.122 nan 4.420 nan 0.000 0.270 287 P C -0.129 177.112 177.300 -0.098 0.000 1.223 287 P CA 0.015 63.097 63.100 -0.029 0.000 0.785 287 P CB 0.313 32.003 31.700 -0.017 0.000 0.923 288 I N 1.458 121.945 120.570 -0.137 0.000 2.815 288 I HA -0.069 4.100 4.170 -0.002 0.000 0.291 288 I C 1.570 177.457 176.117 -0.384 0.000 1.209 288 I CA 0.789 61.919 61.300 -0.282 0.000 1.431 288 I CB 0.064 37.860 38.000 -0.340 0.000 1.351 288 I HN 0.279 nan 8.210 nan 0.000 0.585 289 R N 4.624 124.862 120.500 -0.436 0.000 2.856 289 R HA 0.683 5.022 4.340 -0.002 0.000 0.258 289 R C -1.482 174.463 176.300 -0.592 0.000 1.066 289 R CA -0.641 55.241 56.100 -0.364 0.000 1.045 289 R CB 1.469 31.646 30.300 -0.204 0.000 1.178 289 R HN 0.301 nan 8.270 nan 0.000 0.499 290 F N -0.425 119.531 119.950 0.009 0.000 2.547 290 F HA 0.248 4.773 4.527 -0.002 0.000 0.316 290 F C 0.152 175.917 175.800 -0.059 0.000 1.121 290 F CA -0.977 57.040 58.000 0.029 0.000 0.911 290 F CB 2.174 41.257 39.000 0.137 0.000 1.179 290 F HN 0.394 nan 8.300 nan 0.000 0.443 291 T N -0.305 114.288 114.554 0.064 0.000 2.752 291 T HA 0.425 4.774 4.350 -0.002 0.000 0.295 291 T C 0.916 175.546 174.700 -0.116 0.000 0.923 291 T CA -0.266 61.803 62.100 -0.051 0.000 1.112 291 T CB 1.393 70.208 68.868 -0.088 0.000 0.884 291 T HN 0.767 nan 8.240 nan 0.000 0.525 292 A N 3.230 125.868 122.820 -0.304 0.000 2.014 292 A HA 0.158 4.477 4.320 -0.002 0.000 0.218 292 A C 1.052 178.530 177.584 -0.177 0.000 1.163 292 A CA 0.683 52.399 52.037 -0.535 0.000 0.652 292 A CB -0.289 18.348 19.000 -0.604 0.000 0.808 292 A HN 0.983 nan 8.150 nan 0.000 0.449 293 E N -1.142 118.988 120.200 -0.117 0.000 2.460 293 E HA 0.384 4.733 4.350 -0.002 0.000 0.277 293 E C -1.843 174.714 176.600 -0.070 0.000 1.010 293 E CA -1.121 55.240 56.400 -0.065 0.000 0.838 293 E CB 0.134 29.804 29.700 -0.050 0.000 1.448 293 E HN -0.048 nan 8.360 nan 0.000 0.462 294 D N 0.793 121.155 120.400 -0.063 0.000 2.488 294 D HA 0.272 4.911 4.640 -0.002 0.000 0.238 294 D C -0.238 176.009 176.300 -0.089 0.000 1.138 294 D CA 0.287 54.237 54.000 -0.082 0.000 0.873 294 D CB 1.163 41.922 40.800 -0.068 0.000 1.183 294 D HN 0.451 nan 8.370 nan 0.000 0.458 295 V N -0.628 119.223 119.914 -0.105 0.000 2.876 295 V HA 0.775 4.894 4.120 -0.002 0.000 0.312 295 V C -0.311 175.711 176.094 -0.120 0.000 1.085 295 V CA -0.712 61.533 62.300 -0.091 0.000 0.945 295 V CB 2.356 34.202 31.823 0.038 0.000 1.017 295 V HN 0.411 nan 8.190 nan 0.000 0.428 296 T N 3.970 118.386 114.554 -0.231 0.000 2.809 296 T HA 0.724 5.073 4.350 -0.002 0.000 0.284 296 T C -1.418 173.051 174.700 -0.385 0.000 0.992 296 T CA -0.034 61.941 62.100 -0.208 0.000 0.957 296 T CB 0.799 69.569 68.868 -0.163 0.000 0.942 296 T HN 0.693 nan 8.240 nan 0.000 0.439 297 Y N 0.650 120.898 120.300 -0.086 0.000 2.421 297 Y HA 0.360 4.909 4.550 -0.002 0.000 0.339 297 Y C 0.915 176.800 175.900 -0.026 0.000 0.996 297 Y CA -0.938 57.128 58.100 -0.058 0.000 1.046 297 Y CB 1.995 40.411 38.460 -0.074 0.000 1.226 297 Y HN 0.760 nan 8.280 nan 0.000 0.445 298 S N 2.275 118.048 115.700 0.121 0.000 3.549 298 S HA -0.212 4.256 4.470 -0.002 0.000 0.366 298 S C 1.210 175.848 174.600 0.062 0.000 1.012 298 S CA 1.265 59.517 58.200 0.086 0.000 1.141 298 S CB -1.512 61.751 63.200 0.104 0.000 0.910 298 S HN 1.709 nan 8.310 nan 0.000 0.471 299 G N -1.872 106.946 108.800 0.030 0.000 2.155 299 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.257 299 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.257 299 G C 0.022 174.941 174.900 0.031 0.000 0.983 299 G CA 0.093 45.206 45.100 0.021 0.000 0.676 299 G HN 1.212 nan 8.290 nan 0.000 0.528 300 V N 0.822 120.760 119.914 0.041 0.000 2.448 300 V HA 0.606 4.725 4.120 -0.002 0.000 0.295 300 V C 0.398 176.473 176.094 -0.032 0.000 1.025 300 V CA -0.298 62.029 62.300 0.045 0.000 0.859 300 V CB 1.927 33.824 31.823 0.124 0.000 0.988 300 V HN 0.235 nan 8.190 nan 0.000 0.431 301 T N 6.664 121.182 114.554 -0.061 0.000 2.743 301 T HA 0.552 4.901 4.350 -0.002 0.000 0.293 301 T C -0.057 174.482 174.700 -0.268 0.000 0.945 301 T CA 0.057 62.081 62.100 -0.126 0.000 1.030 301 T CB 0.234 69.056 68.868 -0.076 0.000 0.912 301 T HN 0.376 nan 8.240 nan 0.000 0.483 302 I N 6.934 127.249 120.570 -0.426 0.000 2.304 302 I HA 0.285 4.454 4.170 -0.002 0.000 0.291 302 I C -2.026 173.873 176.117 -0.364 0.000 1.018 302 I CA -2.526 58.323 61.300 -0.751 0.000 1.260 302 I CB 1.334 38.700 38.000 -1.056 0.000 1.390 302 I HN 0.334 nan 8.210 nan 0.000 0.475 303 P HA 0.073 nan 4.420 nan 0.000 0.271 303 P C -0.403 176.852 177.300 -0.075 0.000 1.244 303 P CA -0.395 62.652 63.100 -0.088 0.000 0.793 303 P CB 0.494 32.194 31.700 -0.000 0.000 0.984 304 A N 0.998 123.797 122.820 -0.035 0.000 2.520 304 A HA 0.402 4.721 4.320 -0.002 0.000 0.235 304 A C 1.379 178.987 177.584 0.041 0.000 1.065 304 A CA 0.791 52.824 52.037 -0.007 0.000 0.764 304 A CB -1.554 17.449 19.000 0.005 0.000 1.002 304 A HN 0.901 nan 8.150 nan 0.000 0.502 305 G N 0.574 109.424 108.800 0.083 0.000 2.132 305 G HA2 -0.143 3.815 3.960 -0.002 0.000 0.234 305 G HA3 -0.143 3.815 3.960 -0.002 0.000 0.234 305 G C -0.119 174.891 174.900 0.184 0.000 0.989 305 G CA 0.347 45.534 45.100 0.144 0.000 0.676 305 G HN 0.804 nan 8.290 nan 0.000 0.522 306 E N -0.268 120.025 120.200 0.155 0.000 2.212 306 E HA 0.622 4.971 4.350 -0.002 0.000 0.270 306 E C 0.577 177.263 176.600 0.143 0.000 0.956 306 E CA -0.675 55.834 56.400 0.180 0.000 0.825 306 E CB 1.076 30.857 29.700 0.135 0.000 1.167 306 E HN 0.374 nan 8.360 nan 0.000 0.400 307 M N 1.342 121.027 119.600 0.140 0.000 2.233 307 M HA 0.348 4.827 4.480 -0.002 0.000 0.355 307 M C -0.584 175.704 176.300 -0.019 0.000 1.191 307 M CA -0.739 54.507 55.300 -0.090 0.000 1.101 307 M CB 1.309 33.856 32.600 -0.087 0.000 1.592 307 M HN 0.037 nan 8.290 nan 0.000 0.461 308 V N 4.433 124.239 119.914 -0.180 0.000 2.524 308 V HA 0.413 4.532 4.120 -0.002 0.000 0.297 308 V C -0.429 175.556 176.094 -0.181 0.000 1.035 308 V CA -0.582 61.648 62.300 -0.116 0.000 0.867 308 V CB 1.849 33.568 31.823 -0.173 0.000 1.004 308 V HN 0.896 nan 8.190 nan 0.000 0.426 309 M N 5.331 124.857 119.600 -0.125 0.000 2.188 309 M HA 0.525 5.003 4.480 -0.002 0.000 0.357 309 M C -0.750 175.453 176.300 -0.161 0.000 1.204 309 M CA -0.327 54.894 55.300 -0.131 0.000 1.095 309 M CB 1.292 33.846 32.600 -0.076 0.000 1.604 309 M HN 0.436 nan 8.290 nan 0.000 0.464 310 L N 2.748 123.833 121.223 -0.230 0.000 2.265 310 L HA 0.389 4.727 4.340 -0.002 0.000 0.288 310 L C 0.871 177.642 176.870 -0.165 0.000 1.058 310 L CA -0.592 54.069 54.840 -0.299 0.000 0.809 310 L CB 0.758 42.456 42.059 -0.602 0.000 1.179 310 L HN 0.822 nan 8.230 nan 0.000 0.429 311 G N 4.338 113.051 108.800 -0.144 0.000 2.741 311 G HA2 0.338 4.296 3.960 -0.002 0.000 0.301 311 G HA3 0.338 4.296 3.960 -0.002 0.000 0.301 311 G C 0.871 175.667 174.900 -0.174 0.000 0.834 311 G CA -0.410 44.601 45.100 -0.148 0.000 1.683 311 G HN 0.661 nan 8.290 nan 0.000 0.506 312 L N 2.108 123.273 121.223 -0.096 0.000 2.044 312 L HA -0.039 4.299 4.340 -0.002 0.000 0.205 312 L C 3.141 179.984 176.870 -0.045 0.000 1.075 312 L CA 1.195 56.019 54.840 -0.026 0.000 0.747 312 L CB -0.477 41.625 42.059 0.072 0.000 0.903 312 L HN 0.490 nan 8.230 nan 0.000 0.435 313 A N 0.560 123.313 122.820 -0.111 0.000 1.908 313 A HA -0.187 4.132 4.320 -0.002 0.000 0.218 313 A C 2.564 180.029 177.584 -0.198 0.000 1.181 313 A CA 1.963 53.945 52.037 -0.091 0.000 0.627 313 A CB -0.729 18.226 19.000 -0.076 0.000 0.818 313 A HN 0.402 nan 8.150 nan 0.000 0.445 314 A N -0.165 122.294 122.820 -0.601 0.000 1.858 314 A HA 0.164 4.483 4.320 -0.002 0.000 0.216 314 A C 2.550 180.097 177.584 -0.061 0.000 1.190 314 A CA 2.206 53.997 52.037 -0.411 0.000 0.617 314 A CB -1.163 17.494 19.000 -0.572 0.000 0.827 314 A HN 1.129 nan 8.150 nan 0.000 0.443 315 A N 0.243 123.034 122.820 -0.048 0.000 1.908 315 A HA -0.210 4.108 4.320 -0.002 0.000 0.218 315 A C 1.818 179.532 177.584 0.217 0.000 1.181 315 A CA 1.798 53.884 52.037 0.081 0.000 0.627 315 A CB -0.673 18.318 19.000 -0.015 0.000 0.818 315 A HN 0.552 nan 8.150 nan 0.000 0.445 316 N N -0.388 118.424 118.700 0.187 0.000 2.520 316 N HA -0.057 4.681 4.740 -0.002 0.000 0.185 316 N C 1.054 176.830 175.510 0.444 0.000 1.068 316 N CA 0.652 53.920 53.050 0.364 0.000 0.911 316 N CB -0.174 38.525 38.487 0.353 0.000 0.961 316 N HN 0.503 nan 8.380 nan 0.000 0.446 317 R N 0.406 121.071 120.500 0.274 0.000 2.552 317 R HA 0.098 4.436 4.340 -0.002 0.000 0.314 317 R C -0.447 175.966 176.300 0.188 0.000 1.041 317 R CA -0.274 55.949 56.100 0.205 0.000 1.076 317 R CB 0.314 30.692 30.300 0.131 0.000 1.290 317 R HN 0.014 nan 8.270 nan 0.000 0.563 318 D N 0.738 121.291 120.400 0.255 0.000 2.338 318 D HA 0.093 4.732 4.640 -0.002 0.000 0.255 318 D C 0.960 177.359 176.300 0.165 0.000 1.237 318 D CA -0.057 54.070 54.000 0.211 0.000 0.883 318 D CB 1.420 42.379 40.800 0.264 0.000 1.087 318 D HN 0.184 nan 8.370 nan 0.000 0.485 319 A N 4.216 127.093 122.820 0.096 0.000 2.076 319 A HA -0.183 4.136 4.320 -0.002 0.000 0.220 319 A C 1.593 179.191 177.584 0.023 0.000 1.160 319 A CA 1.081 53.139 52.037 0.036 0.000 0.653 319 A CB -0.027 18.992 19.000 0.031 0.000 0.801 319 A HN 0.532 nan 8.150 nan 0.000 0.455 320 D N -2.031 118.411 120.400 0.070 0.000 2.269 320 D HA -0.100 4.538 4.640 -0.002 0.000 0.208 320 D C 1.413 177.754 176.300 0.068 0.000 0.963 320 D CA 0.929 54.971 54.000 0.070 0.000 0.864 320 D CB -0.193 40.670 40.800 0.105 0.000 0.936 320 D HN 0.836 nan 8.370 nan 0.000 0.505 321 W N 0.327 121.514 121.300 -0.188 0.000 2.644 321 W HA 0.232 4.891 4.660 -0.002 0.000 0.279 321 W C 0.119 176.488 176.519 -0.250 0.000 1.164 321 W CA 0.010 57.126 57.345 -0.382 0.000 1.457 321 W CB 0.201 29.059 29.460 -1.003 0.000 1.087 321 W HN -0.260 nan 8.180 nan 0.000 0.573 322 M N 2.605 121.891 119.600 -0.523 0.000 2.125 322 M HA 0.459 4.938 4.480 -0.002 0.000 0.321 322 M C -2.753 173.369 176.300 -0.297 0.000 0.983 322 M CA -2.945 51.947 55.300 -0.680 0.000 0.934 322 M CB 1.461 33.583 32.600 -0.796 0.000 1.542 322 M HN -0.304 nan 8.290 nan 0.000 0.424 323 P HA 0.125 nan 4.420 nan 0.000 0.268 323 P C -1.030 176.207 177.300 -0.105 0.000 1.205 323 P CA 0.363 63.381 63.100 -0.138 0.000 0.771 323 P CB 0.200 31.824 31.700 -0.126 0.000 0.858 324 E N 1.960 122.127 120.200 -0.056 0.000 2.222 324 E HA -0.187 4.162 4.350 -0.002 0.000 0.189 324 E C -1.417 175.174 176.600 -0.015 0.000 1.415 324 E CA -0.142 56.242 56.400 -0.026 0.000 0.689 324 E CB -0.818 28.866 29.700 -0.027 0.000 1.107 324 E HN 0.519 nan 8.360 nan 0.000 0.350 325 P HA -0.112 nan 4.420 nan 0.000 0.225 325 P C 0.466 177.825 177.300 0.099 0.000 1.156 325 P CA 0.862 63.980 63.100 0.031 0.000 0.787 325 P CB 0.338 32.069 31.700 0.051 0.000 0.802 326 D N -0.557 119.899 120.400 0.093 0.000 2.340 326 D HA 0.005 4.644 4.640 -0.002 0.000 0.220 326 D C 0.991 177.452 176.300 0.269 0.000 1.039 326 D CA 0.374 54.459 54.000 0.141 0.000 0.866 326 D CB -0.169 40.676 40.800 0.076 0.000 0.913 326 D HN 0.216 nan 8.370 nan 0.000 0.523 327 R N 1.218 121.816 120.500 0.162 0.000 2.265 327 R HA 0.274 4.613 4.340 -0.002 0.000 0.319 327 R C -0.466 175.803 176.300 -0.051 0.000 1.006 327 R CA -0.520 55.624 56.100 0.074 0.000 0.880 327 R CB 0.718 31.026 30.300 0.013 0.000 1.077 327 R HN -0.011 nan 8.270 nan 0.000 0.454 328 L N 4.482 125.489 121.223 -0.359 0.000 2.313 328 L HA 0.199 4.537 4.340 -0.002 0.000 0.282 328 L C -0.929 175.714 176.870 -0.378 0.000 1.092 328 L CA 0.358 54.769 54.840 -0.715 0.000 0.831 328 L CB 0.873 42.088 42.059 -1.405 0.000 1.159 328 L HN 0.758 nan 8.230 nan 0.000 0.442 329 D N 5.129 125.359 120.400 -0.284 0.000 2.358 329 D HA 0.129 4.768 4.640 -0.002 0.000 0.253 329 D C 0.872 177.042 176.300 -0.216 0.000 1.288 329 D CA -0.469 53.409 54.000 -0.204 0.000 0.950 329 D CB 1.008 41.722 40.800 -0.144 0.000 1.197 329 D HN 0.567 nan 8.370 nan 0.000 0.550 330 I N 1.049 121.478 120.570 -0.236 0.000 3.176 330 I HA -0.030 4.139 4.170 -0.002 0.000 0.275 330 I C 1.296 177.294 176.117 -0.198 0.000 1.298 330 I CA 1.025 62.160 61.300 -0.276 0.000 1.445 330 I CB -0.227 37.589 38.000 -0.307 0.000 1.075 330 I HN 0.220 nan 8.210 nan 0.000 0.482 331 T N -1.992 112.473 114.554 -0.148 0.000 3.065 331 T HA 0.191 4.540 4.350 -0.002 0.000 0.252 331 T C 1.103 175.744 174.700 -0.099 0.000 1.099 331 T CA -0.300 61.734 62.100 -0.109 0.000 1.063 331 T CB -0.264 68.552 68.868 -0.086 0.000 0.948 331 T HN 0.327 nan 8.240 nan 0.000 0.506 332 R N 2.139 122.571 120.500 -0.114 0.000 2.583 332 R HA 0.033 4.371 4.340 -0.002 0.000 0.274 332 R C -0.295 175.958 176.300 -0.078 0.000 0.998 332 R CA 0.276 56.314 56.100 -0.104 0.000 1.081 332 R CB 0.147 30.374 30.300 -0.123 0.000 0.940 332 R HN 0.304 nan 8.270 nan 0.000 0.413 333 D N 2.174 122.535 120.400 -0.066 0.000 2.973 333 D HA 0.155 4.793 4.640 -0.002 0.000 0.263 333 D C -0.502 175.785 176.300 -0.022 0.000 1.266 333 D CA -0.066 53.913 54.000 -0.034 0.000 0.975 333 D CB 0.412 41.194 40.800 -0.030 0.000 1.032 333 D HN 0.515 nan 8.370 nan 0.000 0.510 334 A N 0.662 123.479 122.820 -0.006 0.000 2.407 334 A HA 0.445 4.763 4.320 -0.002 0.000 0.248 334 A C 0.263 177.929 177.584 0.136 0.000 1.082 334 A CA 0.003 52.059 52.037 0.032 0.000 0.785 334 A CB 0.812 19.858 19.000 0.076 0.000 1.020 334 A HN 0.282 nan 8.150 nan 0.000 0.489 335 S N -0.844 114.975 115.700 0.197 0.000 2.541 335 S HA 0.656 5.125 4.470 -0.002 0.000 0.280 335 S C 0.461 175.304 174.600 0.405 0.000 1.112 335 S CA 0.322 58.669 58.200 0.245 0.000 0.925 335 S CB 1.725 65.017 63.200 0.154 0.000 1.067 335 S HN 2.358 nan 8.310 nan 0.000 0.479 336 G N 1.711 110.672 108.800 0.268 0.000 2.131 336 G HA2 -0.133 3.825 3.960 -0.002 0.000 0.223 336 G HA3 -0.133 3.825 3.960 -0.002 0.000 0.223 336 G C 0.421 175.266 174.900 -0.093 0.000 0.990 336 G CA -0.250 44.929 45.100 0.132 0.000 0.671 336 G HN 1.120 nan 8.290 nan 0.000 0.521 337 G N -0.736 108.026 108.800 -0.062 0.000 2.484 337 G HA2 0.517 4.475 3.960 -0.002 0.000 0.235 337 G HA3 0.517 4.475 3.960 -0.002 0.000 0.235 337 G C 1.189 175.588 174.900 -0.834 0.000 1.282 337 G CA 0.628 45.421 45.100 -0.512 0.000 0.857 337 G HN 1.546 nan 8.290 nan 0.000 0.571 338 V N 0.540 120.052 119.914 -0.669 0.000 3.444 338 V HA 0.229 4.347 4.120 -0.002 0.000 0.308 338 V C 1.594 177.484 176.094 -0.340 0.000 1.371 338 V CA 0.310 62.335 62.300 -0.458 0.000 1.141 338 V CB -1.272 30.401 31.823 -0.250 0.000 1.037 338 V HN 0.647 nan 8.190 nan 0.000 0.433 339 F N -0.815 119.076 119.950 -0.099 0.000 2.365 339 F HA 0.269 4.795 4.527 -0.002 0.000 0.300 339 F C 1.585 177.236 175.800 -0.248 0.000 1.090 339 F CA 0.624 58.513 58.000 -0.184 0.000 1.408 339 F CB -1.171 37.654 39.000 -0.292 0.000 1.060 339 F HN 0.196 nan 8.300 nan 0.000 0.534 340 F N 0.865 120.780 119.950 -0.059 0.000 2.641 340 F HA 0.512 5.038 4.527 -0.002 0.000 0.302 340 F C 1.534 177.035 175.800 -0.498 0.000 1.098 340 F CA 0.007 57.845 58.000 -0.269 0.000 1.318 340 F CB 0.002 38.730 39.000 -0.453 0.000 1.035 340 F HN 0.282 nan 8.300 nan 0.000 0.551 341 G N 0.779 109.433 108.800 -0.244 0.000 2.584 341 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.229 341 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.229 341 G C -1.330 173.248 174.900 -0.536 0.000 1.320 341 G CA -0.318 44.364 45.100 -0.697 0.000 0.891 341 G HN 0.550 nan 8.290 nan 0.000 0.573 342 H N -1.019 117.541 119.070 -0.850 0.000 3.120 342 H HA 0.656 5.211 4.556 -0.002 0.000 0.314 342 H C 0.520 175.730 175.328 -0.197 0.000 1.151 342 H CA 1.951 57.761 56.048 -0.396 0.000 1.404 342 H CB 0.905 30.394 29.762 -0.456 0.000 2.031 342 H HN 2.685 nan 8.280 nan 0.000 0.513 343 G N 2.560 111.039 108.800 -0.534 0.000 2.484 343 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.225 343 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.225 343 G C 1.317 176.139 174.900 -0.129 0.000 1.250 343 G CA 0.375 45.264 45.100 -0.352 0.000 0.926 343 G HN 1.316 nan 8.290 nan 0.000 0.581 344 I N -2.447 118.052 120.570 -0.119 0.000 2.493 344 I HA 0.089 4.258 4.170 -0.002 0.000 0.254 344 I C 1.693 177.689 176.117 -0.201 0.000 1.160 344 I CA 1.950 63.156 61.300 -0.156 0.000 1.445 344 I CB -0.271 37.567 38.000 -0.269 0.000 1.086 344 I HN 0.460 nan 8.210 nan 0.000 0.433 345 H N 0.771 119.813 119.070 -0.048 0.000 2.517 345 H HA 0.211 4.766 4.556 -0.002 0.000 0.282 345 H C 0.004 175.350 175.328 0.030 0.000 1.023 345 H CA -0.531 55.511 56.048 -0.010 0.000 1.169 345 H CB -0.255 29.486 29.762 -0.036 0.000 1.454 345 H HN 0.348 nan 8.280 nan 0.000 0.556 346 F N 1.826 121.763 119.950 -0.022 0.000 2.623 346 F HA -0.091 4.436 4.527 -0.001 0.000 0.383 346 F C 0.908 176.694 175.800 -0.023 0.000 1.077 346 F CA -0.369 57.595 58.000 -0.059 0.000 1.268 346 F CB 0.417 39.369 39.000 -0.079 0.000 1.053 346 F HN 0.130 nan 8.300 nan 0.000 0.571 347 C N 9.025 127.835 119.300 -0.817 0.000 2.067 347 C HA -0.114 4.344 4.460 -0.002 0.000 0.408 347 C C 1.769 176.513 174.990 -0.410 0.000 1.539 347 C CA -0.063 58.611 59.018 -0.573 0.000 1.434 347 C CB -1.958 25.409 27.740 -0.622 0.000 2.621 347 C HN 1.019 nan 8.230 nan 0.000 0.610 348 L N 6.122 127.197 121.223 -0.246 0.000 2.083 348 L HA 0.146 4.485 4.340 -0.002 0.000 0.209 348 L C 2.159 178.854 176.870 -0.291 0.000 1.083 348 L CA 2.479 57.181 54.840 -0.230 0.000 0.752 348 L CB -0.532 41.332 42.059 -0.324 0.000 0.899 348 L HN 0.840 nan 8.230 nan 0.000 0.433 349 G N -1.959 106.632 108.800 -0.348 0.000 3.518 349 G HA2 0.290 4.249 3.960 -0.002 0.000 0.273 349 G HA3 0.290 4.249 3.960 -0.002 0.000 0.273 349 G C 1.338 176.069 174.900 -0.281 0.000 1.199 349 G CA 0.385 45.346 45.100 -0.231 0.000 0.899 349 G HN 0.549 nan 8.290 nan 0.000 0.533 350 A N 0.516 123.041 122.820 -0.492 0.000 1.908 350 A HA -0.156 4.163 4.320 -0.002 0.000 0.218 350 A C 2.222 179.547 177.584 -0.432 0.000 1.181 350 A CA 2.121 53.575 52.037 -0.971 0.000 0.627 350 A CB -0.219 18.189 19.000 -0.987 0.000 0.818 350 A HN 0.435 nan 8.150 nan 0.000 0.445 351 Q N -0.845 118.872 119.800 -0.138 0.000 2.083 351 Q HA -0.081 4.258 4.340 -0.002 0.000 0.198 351 Q C 1.864 177.878 176.000 0.024 0.000 0.969 351 Q CA 1.499 57.300 55.803 -0.002 0.000 0.838 351 Q CB -0.499 28.265 28.738 0.044 0.000 0.900 351 Q HN 0.478 nan 8.270 nan 0.000 0.436 352 L N 0.346 121.590 121.223 0.035 0.000 1.990 352 L HA -0.139 4.200 4.340 -0.002 0.000 0.213 352 L C 2.113 179.015 176.870 0.053 0.000 1.072 352 L CA 2.475 57.351 54.840 0.061 0.000 0.755 352 L CB -1.308 40.822 42.059 0.118 0.000 0.889 352 L HN 0.272 nan 8.230 nan 0.000 0.432 353 A N -0.679 122.162 122.820 0.036 0.000 1.908 353 A HA -0.259 4.060 4.320 -0.002 0.000 0.218 353 A C 2.437 180.122 177.584 0.169 0.000 1.181 353 A CA 2.014 54.120 52.037 0.115 0.000 0.627 353 A CB -0.579 18.536 19.000 0.192 0.000 0.818 353 A HN 0.513 nan 8.150 nan 0.000 0.445 354 R N -0.763 119.841 120.500 0.173 0.000 2.081 354 R HA -0.029 4.309 4.340 -0.002 0.000 0.235 354 R C 2.094 178.469 176.300 0.125 0.000 1.131 354 R CA 1.484 57.697 56.100 0.187 0.000 0.960 354 R CB -0.445 29.971 30.300 0.193 0.000 0.856 354 R HN 0.530 nan 8.270 nan 0.000 0.436 355 L N 0.375 121.654 121.223 0.093 0.000 2.027 355 L HA -0.160 4.179 4.340 -0.002 0.000 0.206 355 L C 2.225 179.134 176.870 0.065 0.000 1.074 355 L CA 1.435 56.318 54.840 0.071 0.000 0.745 355 L CB -0.386 41.705 42.059 0.052 0.000 0.898 355 L HN 0.216 nan 8.230 nan 0.000 0.433 356 E N 0.022 120.257 120.200 0.058 0.000 2.085 356 E HA -0.202 4.147 4.350 -0.002 0.000 0.194 356 E C 2.182 178.817 176.600 0.058 0.000 0.994 356 E CA 1.183 57.605 56.400 0.037 0.000 0.801 356 E CB -0.358 29.355 29.700 0.021 0.000 0.743 356 E HN 0.578 nan 8.360 nan 0.000 0.453 357 G N 1.004 109.863 108.800 0.098 0.000 2.402 357 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.216 357 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.216 357 G C 1.544 176.535 174.900 0.152 0.000 1.162 357 G CA 0.537 45.717 45.100 0.133 0.000 0.777 357 G HN 0.077 nan 8.290 nan 0.000 0.539 358 R N -0.245 120.334 120.500 0.130 0.000 2.070 358 R HA -0.034 4.305 4.340 -0.002 0.000 0.233 358 R C 2.714 179.088 176.300 0.123 0.000 1.137 358 R CA 1.344 57.518 56.100 0.123 0.000 0.945 358 R CB -0.691 29.663 30.300 0.091 0.000 0.845 358 R HN 0.268 nan 8.270 nan 0.000 0.430 359 V N 1.002 120.975 119.914 0.098 0.000 2.255 359 V HA -0.282 3.837 4.120 -0.002 0.000 0.247 359 V C 2.431 178.602 176.094 0.128 0.000 1.051 359 V CA 2.093 64.449 62.300 0.093 0.000 1.018 359 V CB -0.849 31.008 31.823 0.057 0.000 0.641 359 V HN 0.467 nan 8.190 nan 0.000 0.445 360 A N -0.219 122.667 122.820 0.110 0.000 1.877 360 A HA -0.172 4.147 4.320 -0.002 0.000 0.216 360 A C 2.184 179.962 177.584 0.323 0.000 1.186 360 A CA 2.136 54.259 52.037 0.144 0.000 0.620 360 A CB -0.532 18.468 19.000 0.000 0.000 0.822 360 A HN 0.515 nan 8.150 nan 0.000 0.443 361 I N -0.756 119.980 120.570 0.277 0.000 2.277 361 I HA -0.098 4.071 4.170 -0.002 0.000 0.243 361 I C 2.754 179.091 176.117 0.366 0.000 1.094 361 I CA 0.959 62.469 61.300 0.349 0.000 1.393 361 I CB -0.745 37.444 38.000 0.315 0.000 1.078 361 I HN 0.388 nan 8.210 nan 0.000 0.417 362 G N 1.065 110.020 108.800 0.259 0.000 2.459 362 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.217 362 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.217 362 G C 1.784 176.806 174.900 0.202 0.000 1.183 362 G CA 0.404 45.631 45.100 0.211 0.000 0.776 362 G HN 0.152 nan 8.290 nan 0.000 0.552 363 R N -0.187 120.421 120.500 0.180 0.000 2.081 363 R HA -0.004 4.335 4.340 -0.002 0.000 0.235 363 R C 2.494 178.861 176.300 0.111 0.000 1.131 363 R CA 0.953 57.139 56.100 0.144 0.000 0.960 363 R CB -1.188 29.199 30.300 0.147 0.000 0.856 363 R HN 0.437 nan 8.270 nan 0.000 0.436 364 L N 0.299 121.596 121.223 0.122 0.000 1.970 364 L HA -0.139 4.200 4.340 -0.002 0.000 0.212 364 L C 2.056 178.836 176.870 -0.150 0.000 1.071 364 L CA 1.807 56.581 54.840 -0.110 0.000 0.751 364 L CB -0.723 41.211 42.059 -0.210 0.000 0.889 364 L HN -0.025 nan 8.230 nan 0.000 0.432 365 F N -0.388 119.563 119.950 0.000 0.000 2.293 365 F HA -0.061 4.465 4.527 -0.002 0.000 0.300 365 F C 2.393 178.194 175.800 0.002 0.000 1.086 365 F CA 1.060 59.060 58.000 -0.000 0.000 1.375 365 F CB -0.829 38.185 39.000 0.024 0.000 1.045 365 F HN 0.228 nan 8.300 nan 0.000 0.516 366 A N -0.394 122.522 122.820 0.159 0.000 1.872 366 A HA -0.202 4.117 4.320 -0.002 0.000 0.214 366 A C 1.842 179.449 177.584 0.039 0.000 1.187 366 A CA 1.952 54.046 52.037 0.094 0.000 0.614 366 A CB -0.894 18.157 19.000 0.086 0.000 0.826 366 A HN 0.322 nan 8.150 nan 0.000 0.442 367 D N -0.970 119.435 120.400 0.008 0.000 2.178 367 D HA -0.059 4.580 4.640 -0.002 0.000 0.202 367 D C 0.709 176.975 176.300 -0.057 0.000 0.974 367 D CA 0.775 54.760 54.000 -0.026 0.000 0.841 367 D CB 0.147 40.922 40.800 -0.042 0.000 0.953 367 D HN 0.130 nan 8.370 nan 0.000 0.478 368 R N 0.195 120.636 120.500 -0.097 0.000 2.748 368 R HA 0.204 4.543 4.340 -0.002 0.000 0.283 368 R C -2.037 174.201 176.300 -0.103 0.000 1.507 368 R CA -1.408 54.614 56.100 -0.130 0.000 1.666 368 R CB 0.830 30.995 30.300 -0.224 0.000 1.237 368 R HN 0.226 nan 8.270 nan 0.000 0.633 369 P HA -0.131 nan 4.420 nan 0.000 0.221 369 P C 0.228 177.544 177.300 0.026 0.000 1.145 369 P CA 1.166 64.288 63.100 0.037 0.000 0.795 369 P CB 0.473 32.195 31.700 0.037 0.000 0.775 370 E N -0.840 119.349 120.200 -0.019 0.000 2.465 370 E HA 0.104 4.453 4.350 -0.002 0.000 0.195 370 E C 0.434 177.005 176.600 -0.048 0.000 1.028 370 E CA -0.711 55.679 56.400 -0.018 0.000 0.899 370 E CB -0.188 29.500 29.700 -0.019 0.000 1.032 370 E HN 0.093 nan 8.360 nan 0.000 0.468 371 L N 1.700 122.861 121.223 -0.104 0.000 2.593 371 L HA 0.054 4.393 4.340 -0.002 0.000 0.287 371 L C -0.437 176.385 176.870 -0.079 0.000 1.243 371 L CA 0.570 55.313 54.840 -0.162 0.000 0.890 371 L CB 0.366 42.203 42.059 -0.371 0.000 1.134 371 L HN 0.013 nan 8.230 nan 0.000 0.502 372 A N 5.303 128.081 122.820 -0.070 0.000 2.574 372 A HA 0.524 4.843 4.320 -0.002 0.000 0.297 372 A C -0.906 176.658 177.584 -0.033 0.000 1.062 372 A CA -0.834 51.187 52.037 -0.027 0.000 0.686 372 A CB 0.721 19.711 19.000 -0.016 0.000 1.285 372 A HN 0.736 nan 8.150 nan 0.000 0.403 373 L N 0.983 122.198 121.223 -0.013 0.000 2.543 373 L HA 0.196 4.534 4.340 -0.002 0.000 0.285 373 L C 1.238 178.097 176.870 -0.019 0.000 1.236 373 L CA 0.455 55.286 54.840 -0.015 0.000 0.871 373 L CB 1.085 43.144 42.059 0.000 0.000 1.121 373 L HN 0.939 nan 8.230 nan 0.000 0.501 374 A N 4.160 126.965 122.820 -0.024 0.000 2.630 374 A HA 0.490 4.809 4.320 -0.002 0.000 0.290 374 A C -0.172 177.401 177.584 -0.019 0.000 1.267 374 A CA -0.162 51.861 52.037 -0.023 0.000 0.950 374 A CB 0.022 19.005 19.000 -0.029 0.000 1.144 374 A HN 0.482 nan 8.150 nan 0.000 0.527 375 V N -4.834 115.072 119.914 -0.014 0.000 3.206 375 V HA 0.923 5.042 4.120 -0.002 0.000 0.305 375 V C 0.282 176.375 176.094 -0.002 0.000 1.257 375 V CA -0.483 61.811 62.300 -0.010 0.000 1.057 375 V CB 0.846 32.660 31.823 -0.014 0.000 1.075 375 V HN 0.493 nan 8.190 nan 0.000 0.443 376 G N -0.158 108.643 108.800 0.002 0.000 2.467 376 G HA2 0.426 4.384 3.960 -0.002 0.000 0.257 376 G HA3 0.426 4.384 3.960 -0.002 0.000 0.257 376 G C 0.543 175.454 174.900 0.017 0.000 1.227 376 G CA -0.326 44.779 45.100 0.009 0.000 0.835 376 G HN 1.078 nan 8.290 nan 0.000 0.556 377 L N 0.744 121.982 121.223 0.024 0.000 2.051 377 L HA -0.149 4.190 4.340 -0.002 0.000 0.214 377 L C 1.885 178.789 176.870 0.056 0.000 1.076 377 L CA 1.691 56.556 54.840 0.043 0.000 0.758 377 L CB -0.025 42.059 42.059 0.043 0.000 0.890 377 L HN 0.480 nan 8.230 nan 0.000 0.433 378 D N -0.632 119.795 120.400 0.045 0.000 2.363 378 D HA -0.109 4.530 4.640 -0.002 0.000 0.226 378 D C 1.701 178.031 176.300 0.050 0.000 1.020 378 D CA 0.616 54.647 54.000 0.052 0.000 0.892 378 D CB 0.132 40.955 40.800 0.038 0.000 0.900 378 D HN 0.506 nan 8.370 nan 0.000 0.531 379 E N -0.211 120.011 120.200 0.036 0.000 2.447 379 E HA 0.105 4.454 4.350 -0.002 0.000 0.195 379 E C 0.455 177.065 176.600 0.016 0.000 1.028 379 E CA -0.178 56.237 56.400 0.024 0.000 0.876 379 E CB 0.548 30.254 29.700 0.009 0.000 0.885 379 E HN 0.222 nan 8.360 nan 0.000 0.500 380 L N 1.852 123.087 121.223 0.020 0.000 2.490 380 L HA 0.046 4.385 4.340 -0.002 0.000 0.274 380 L C -0.187 176.682 176.870 -0.002 0.000 1.201 380 L CA -0.069 54.754 54.840 -0.028 0.000 0.869 380 L CB 0.557 42.586 42.059 -0.050 0.000 1.123 380 L HN -0.137 nan 8.230 nan 0.000 0.484 381 V N 3.824 123.685 119.914 -0.089 0.000 2.409 381 V HA 0.336 4.455 4.120 -0.002 0.000 0.291 381 V C -0.528 175.489 176.094 -0.129 0.000 1.020 381 V CA -0.603 61.684 62.300 -0.022 0.000 0.848 381 V CB 1.398 33.207 31.823 -0.023 0.000 0.990 381 V HN 0.378 nan 8.190 nan 0.000 0.430 382 Y N 3.105 123.418 120.300 0.022 0.000 2.376 382 Y HA 0.557 5.106 4.550 -0.001 0.000 0.325 382 Y C 1.000 176.872 175.900 -0.047 0.000 1.199 382 Y CA -0.682 57.430 58.100 0.020 0.000 1.206 382 Y CB 1.143 39.647 38.460 0.073 0.000 1.229 382 Y HN 0.499 nan 8.280 nan 0.000 0.480 383 R N 1.785 122.334 120.500 0.082 0.000 2.590 383 R HA 0.222 4.561 4.340 -0.002 0.000 0.274 383 R C -0.457 175.702 176.300 -0.236 0.000 1.061 383 R CA -0.320 55.743 56.100 -0.062 0.000 1.081 383 R CB 0.337 30.628 30.300 -0.015 0.000 0.984 383 R HN 0.508 nan 8.270 nan 0.000 0.448 384 R N 1.601 121.784 120.500 -0.530 0.000 2.272 384 R HA 0.136 4.475 4.340 -0.002 0.000 0.334 384 R C -0.388 175.574 176.300 -0.562 0.000 1.117 384 R CA -0.023 55.372 56.100 -1.176 0.000 0.966 384 R CB 0.848 30.443 30.300 -1.175 0.000 1.049 384 R HN 0.424 nan 8.270 nan 0.000 0.477 385 S N 0.545 116.074 115.700 -0.284 0.000 2.543 385 S HA 0.145 4.614 4.470 -0.002 0.000 0.271 385 S C 0.735 175.610 174.600 0.458 0.000 1.148 385 S CA -0.745 57.523 58.200 0.113 0.000 0.914 385 S CB 1.595 64.862 63.200 0.113 0.000 1.096 385 S HN 0.620 nan 8.310 nan 0.000 0.471 386 T N 2.401 117.189 114.554 0.389 0.000 3.129 386 T HA 0.155 4.504 4.350 -0.002 0.000 0.251 386 T C 1.315 176.202 174.700 0.310 0.000 1.117 386 T CA 0.454 62.807 62.100 0.422 0.000 1.034 386 T CB -0.063 68.877 68.868 0.121 0.000 0.968 386 T HN 0.409 nan 8.240 nan 0.000 0.526 387 L N 1.416 122.785 121.223 0.243 0.000 2.467 387 L HA 0.470 4.809 4.340 -0.002 0.000 0.213 387 L C 0.375 177.364 176.870 0.198 0.000 1.053 387 L CA 0.262 55.213 54.840 0.185 0.000 0.847 387 L CB 0.849 42.986 42.059 0.131 0.000 1.075 387 L HN 0.329 nan 8.230 nan 0.000 0.479 388 V N -1.691 118.350 119.914 0.211 0.000 2.769 388 V HA 0.623 4.742 4.120 -0.002 0.000 0.312 388 V C -0.505 175.723 176.094 0.223 0.000 1.061 388 V CA -0.903 61.514 62.300 0.195 0.000 0.931 388 V CB 1.704 33.626 31.823 0.165 0.000 1.010 388 V HN 0.283 nan 8.190 nan 0.000 0.433 389 R N 2.682 123.303 120.500 0.202 0.000 2.233 389 R HA 0.770 5.109 4.340 -0.002 0.000 0.334 389 R C -0.158 176.304 176.300 0.269 0.000 1.037 389 R CA 0.489 56.710 56.100 0.202 0.000 0.920 389 R CB 0.721 31.093 30.300 0.120 0.000 1.137 389 R HN 1.397 nan 8.270 nan 0.000 0.492 390 G N 3.977 112.990 108.800 0.354 0.000 2.753 390 G HA2 0.377 4.336 3.960 -0.002 0.000 0.295 390 G HA3 0.377 4.336 3.960 -0.002 0.000 0.295 390 G C -1.355 173.637 174.900 0.153 0.000 1.437 390 G CA -0.818 44.431 45.100 0.249 0.000 1.094 390 G HN 0.461 nan 8.290 nan 0.000 0.540 391 L N 1.709 122.886 121.223 -0.077 0.000 2.380 391 L HA 0.216 4.555 4.340 -0.002 0.000 0.273 391 L C 1.970 178.735 176.870 -0.176 0.000 1.138 391 L CA -0.283 54.335 54.840 -0.370 0.000 0.832 391 L CB 1.683 43.523 42.059 -0.364 0.000 1.124 391 L HN 0.742 nan 8.230 nan 0.000 0.454 392 S N 2.565 118.155 115.700 -0.184 0.000 2.461 392 S HA 0.036 4.505 4.470 -0.002 0.000 0.228 392 S C 0.708 175.235 174.600 -0.121 0.000 1.005 392 S CA 0.100 58.227 58.200 -0.122 0.000 0.942 392 S CB 0.148 63.285 63.200 -0.104 0.000 0.776 392 S HN 0.714 nan 8.310 nan 0.000 0.514 393 R N -0.396 120.023 120.500 -0.134 0.000 2.604 393 R HA 0.407 4.746 4.340 -0.002 0.000 0.261 393 R C -2.148 174.087 176.300 -0.108 0.000 1.080 393 R CA -0.378 55.660 56.100 -0.103 0.000 0.917 393 R CB 1.399 31.646 30.300 -0.088 0.000 1.252 393 R HN 0.373 nan 8.270 nan 0.000 0.456 394 M N 5.939 125.495 119.600 -0.074 0.000 1.960 394 M HA 0.387 4.866 4.480 -0.002 0.000 0.271 394 M C -2.626 173.646 176.300 -0.047 0.000 0.862 394 M CA -1.798 53.464 55.300 -0.063 0.000 0.854 394 M CB 1.788 34.359 32.600 -0.048 0.000 1.575 394 M HN 0.253 nan 8.290 nan 0.000 0.375 395 P HA 0.126 nan 4.420 nan 0.000 0.267 395 P C -0.902 176.374 177.300 -0.041 0.000 1.209 395 P CA -0.089 62.986 63.100 -0.041 0.000 0.763 395 P CB 0.613 32.291 31.700 -0.037 0.000 0.816 396 V N 0.728 120.613 119.914 -0.049 0.000 3.102 396 V HA 0.717 4.836 4.120 -0.002 0.000 0.312 396 V C -0.528 175.529 176.094 -0.061 0.000 1.135 396 V CA -0.752 61.513 62.300 -0.058 0.000 1.022 396 V CB 2.095 33.868 31.823 -0.084 0.000 1.056 396 V HN 0.291 nan 8.190 nan 0.000 0.436 397 T N 3.755 118.271 114.554 -0.064 0.000 2.758 397 T HA 0.400 4.749 4.350 -0.002 0.000 0.285 397 T C 1.069 175.714 174.700 -0.091 0.000 0.981 397 T CA -0.521 61.539 62.100 -0.065 0.000 0.965 397 T CB 1.313 70.152 68.868 -0.049 0.000 0.927 397 T HN 0.645 nan 8.240 nan 0.000 0.448 398 M N 1.837 121.376 119.600 -0.102 0.000 2.159 398 M HA 0.114 4.593 4.480 -0.002 0.000 0.263 398 M C 1.526 177.755 176.300 -0.119 0.000 1.063 398 M CA 1.190 56.407 55.300 -0.137 0.000 1.110 398 M CB -1.627 30.891 32.600 -0.137 0.000 1.374 398 M HN 1.012 nan 8.290 nan 0.000 0.411 399 G N 0.327 109.077 108.800 -0.084 0.000 2.796 399 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.571 399 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.571 399 G C -2.891 171.974 174.900 -0.059 0.000 1.370 399 G CA -1.179 43.882 45.100 -0.064 0.000 0.856 399 G HN 0.175 nan 8.290 nan 0.000 0.538 400 P HA 0.260 nan 4.420 nan 0.000 0.267 400 P C 0.312 177.588 177.300 -0.041 0.000 1.200 400 P CA 0.055 63.133 63.100 -0.036 0.000 0.772 400 P CB 0.386 32.071 31.700 -0.025 0.000 0.855 401 R N 1.177 121.655 120.500 -0.037 0.000 2.539 401 R HA 0.263 4.602 4.340 -0.002 0.000 0.275 401 R C 0.635 176.922 176.300 -0.022 0.000 1.077 401 R CA -0.359 55.720 56.100 -0.035 0.000 1.097 401 R CB 0.329 30.612 30.300 -0.030 0.000 1.018 401 R HN 0.434 nan 8.270 nan 0.000 0.483 402 S N 1.028 116.718 115.700 -0.017 0.000 2.549 402 S HA 0.193 4.662 4.470 -0.002 0.000 0.286 402 S C 0.157 174.756 174.600 -0.003 0.000 1.314 402 S CA -0.393 57.804 58.200 -0.005 0.000 1.062 402 S CB 0.492 63.694 63.200 0.003 0.000 0.865 402 S HN 0.605 nan 8.310 nan 0.000 0.498 403 A N 0.000 122.820 122.820 -0.000 0.000 2.254 403 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 403 A CA 0.000 52.037 52.037 0.000 0.000 0.836 403 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 403 A HN 0.000 nan 8.150 nan 0.000 0.486