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 1xxi_1_G DATA FIRST_RESID 5 DATA SEQUENCE VLARKWRPQT FADVVGQEHV LTALANGLSL GRIHHAYLFS GTRGVGKTSI DATA SEQUENCE ARLLAKGLNC ETGITATPCG VCDNCREIEQ GRFVDLIEID AASRTKVEDT DATA SEQUENCE RDLLDNVQYA PARGRFKVYL IDEVHMLSRH SFNALLKTLE EPPEHVKFLL DATA SEQUENCE ATTDPQKLPV TILSRCLQFH LKALDVEQIR HQLEHILNEE HIAHEPRALQ DATA SEQUENCE LLARAAEGSL RDALSLTDQA IASGDGQVST QAVSAMLGTL DDDQALSLVE DATA SEQUENCE AMVEANGERV MALINEAAAR GIEWEALLVE MLGLLHRIAM VQLSPAALGN DATA SEQUENCE DMAAIELRMR ELARTIPPTD IQLYYQTLLI GRKELPYAPD RRMGVEMTLL DATA SEQUENCE RALAFHPRMP LPEP 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.147 176.094 0.089 0.000 1.182 5 V CA 0.000 62.330 62.300 0.050 0.000 1.235 5 V CB 0.000 31.846 31.823 0.039 0.000 1.184 6 L N 0.934 122.228 121.223 0.119 0.000 2.043 6 L HA -0.150 4.190 4.340 0.000 0.000 0.212 6 L C 2.979 179.989 176.870 0.233 0.000 1.075 6 L CA 2.713 57.684 54.840 0.218 0.000 0.752 6 L CB -0.808 41.329 42.059 0.130 0.000 0.891 6 L HN 1.054 nan 8.230 nan 0.000 0.432 7 A N 0.275 123.171 122.820 0.127 0.000 1.892 7 A HA -0.292 4.028 4.320 0.000 0.000 0.218 7 A C 2.370 180.007 177.584 0.089 0.000 1.188 7 A CA 2.298 54.396 52.037 0.102 0.000 0.631 7 A CB -0.530 18.503 19.000 0.055 0.000 0.822 7 A HN 0.346 nan 8.150 nan 0.000 0.447 8 R N 0.000 120.535 120.500 0.057 0.000 2.093 8 R HA -0.014 4.326 4.340 0.000 0.000 0.224 8 R C 2.122 178.414 176.300 -0.013 0.000 1.101 8 R CA 1.932 58.042 56.100 0.016 0.000 0.979 8 R CB -0.396 29.904 30.300 0.001 0.000 0.877 8 R HN 0.539 nan 8.270 nan 0.000 0.441 9 K N -1.136 119.262 120.400 -0.003 0.000 2.097 9 K HA -0.125 4.195 4.320 0.000 0.000 0.205 9 K C 0.287 176.681 176.600 -0.343 0.000 1.050 9 K CA 1.335 57.532 56.287 -0.149 0.000 0.938 9 K CB -0.058 32.382 32.500 -0.100 0.000 0.718 9 K HN 0.234 nan 8.250 nan 0.000 0.442 10 W N 1.871 123.176 121.300 0.009 0.000 3.151 10 W HA 0.237 4.897 4.660 0.000 0.000 0.424 10 W C -0.133 176.385 176.519 -0.001 0.000 1.012 10 W CA -0.886 56.472 57.345 0.022 0.000 2.018 10 W CB 0.294 29.784 29.460 0.050 0.000 1.087 10 W HN -0.079 nan 8.180 nan 0.000 0.740 11 R N 1.908 122.443 120.500 0.057 0.000 2.489 11 R HA 0.167 4.507 4.340 0.000 0.000 0.287 11 R C -2.371 173.926 176.300 -0.005 0.000 1.053 11 R CA -1.344 54.767 56.100 0.018 0.000 1.036 11 R CB -0.039 30.244 30.300 -0.027 0.000 0.966 11 R HN -0.160 nan 8.270 nan 0.000 0.432 12 P HA -0.022 nan 4.420 nan 0.000 0.262 12 P C -0.702 176.562 177.300 -0.060 0.000 1.182 12 P CA 0.311 63.391 63.100 -0.033 0.000 0.761 12 P CB 0.779 32.430 31.700 -0.082 0.000 0.795 13 Q N 0.946 120.723 119.800 -0.038 0.000 2.317 13 Q HA 0.121 4.461 4.340 0.000 0.000 0.220 13 Q C 0.261 176.261 176.000 -0.000 0.000 0.873 13 Q CA 0.469 56.248 55.803 -0.040 0.000 0.936 13 Q CB 0.579 29.287 28.738 -0.050 0.000 1.105 13 Q HN 0.618 nan 8.270 nan 0.000 0.520 14 T N -4.878 109.694 114.554 0.030 0.000 2.868 14 T HA 0.344 4.694 4.350 0.000 0.000 0.306 14 T C 0.207 175.005 174.700 0.163 0.000 1.224 14 T CA -0.747 61.428 62.100 0.126 0.000 1.012 14 T CB -0.041 68.881 68.868 0.090 0.000 1.221 14 T HN 0.009 nan 8.240 nan 0.000 0.499 15 F N 0.745 120.656 119.950 -0.065 0.000 2.269 15 F HA 0.070 4.597 4.527 0.000 0.000 0.301 15 F C 2.905 178.672 175.800 -0.054 0.000 1.082 15 F CA 0.809 58.765 58.000 -0.073 0.000 1.360 15 F CB -0.246 38.707 39.000 -0.078 0.000 1.041 15 F HN 0.788 nan 8.300 nan 0.000 0.512 16 A N -0.446 122.468 122.820 0.157 0.000 2.067 16 A HA -0.157 4.163 4.320 0.000 0.000 0.219 16 A C 1.620 179.229 177.584 0.043 0.000 1.158 16 A CA 1.635 53.718 52.037 0.077 0.000 0.661 16 A CB -0.471 18.564 19.000 0.058 0.000 0.801 16 A HN 0.213 nan 8.150 nan 0.000 0.452 17 D N -0.516 119.909 120.400 0.041 0.000 2.347 17 D HA 0.085 4.726 4.640 0.000 0.000 0.213 17 D C 0.361 176.660 176.300 -0.001 0.000 0.985 17 D CA 0.268 54.287 54.000 0.031 0.000 0.879 17 D CB 0.020 40.851 40.800 0.051 0.000 0.919 17 D HN 0.170 nan 8.370 nan 0.000 0.526 18 V N 1.699 121.594 119.914 -0.032 0.000 2.572 18 V HA 0.028 4.148 4.120 0.000 0.000 0.291 18 V C 0.627 176.690 176.094 -0.050 0.000 1.039 18 V CA -0.382 61.877 62.300 -0.069 0.000 1.055 18 V CB 1.710 33.450 31.823 -0.138 0.000 0.969 18 V HN -0.188 nan 8.190 nan 0.000 0.482 19 V N 4.428 124.313 119.914 -0.048 0.000 2.461 19 V HA 0.458 4.578 4.120 0.000 0.000 0.275 19 V C 1.244 177.319 176.094 -0.032 0.000 1.047 19 V CA 0.385 62.658 62.300 -0.045 0.000 0.955 19 V CB 0.700 32.498 31.823 -0.040 0.000 0.988 19 V HN 1.228 nan 8.190 nan 0.000 0.471 20 G N 4.568 113.354 108.800 -0.023 0.000 2.441 20 G HA2 -0.235 3.725 3.960 0.000 0.000 0.298 20 G HA3 -0.235 3.725 3.960 0.000 0.000 0.298 20 G C 0.352 175.279 174.900 0.045 0.000 0.949 20 G CA 0.246 45.351 45.100 0.009 0.000 1.072 20 G HN 0.696 nan 8.290 nan 0.000 0.512 21 Q N -0.931 118.883 119.800 0.023 0.000 2.318 21 Q HA 0.243 4.583 4.340 0.000 0.000 0.371 21 Q C 1.351 177.343 176.000 -0.014 0.000 0.896 21 Q CA -0.217 55.599 55.803 0.023 0.000 1.134 21 Q CB 0.562 29.258 28.738 -0.070 0.000 1.329 21 Q HN 0.611 nan 8.270 nan 0.000 0.413 22 E N 0.702 120.960 120.200 0.098 0.000 2.068 22 E HA -0.259 4.091 4.350 0.000 0.000 0.207 22 E C 1.750 178.414 176.600 0.107 0.000 1.032 22 E CA 2.196 58.655 56.400 0.097 0.000 0.839 22 E CB -0.283 29.485 29.700 0.114 0.000 0.758 22 E HN 0.565 nan 8.360 nan 0.000 0.457 23 H N -0.218 118.895 119.070 0.072 0.000 2.422 23 H HA -0.062 4.495 4.556 0.000 0.000 0.298 23 H C 1.953 177.364 175.328 0.139 0.000 1.098 23 H CA 1.592 57.703 56.048 0.105 0.000 1.315 23 H CB -0.792 29.041 29.762 0.117 0.000 1.382 23 H HN 0.125 nan 8.280 nan 0.000 0.523 24 V N 1.528 121.159 119.914 -0.471 0.000 2.379 24 V HA -0.134 3.986 4.120 0.000 0.000 0.243 24 V C 3.102 179.058 176.094 -0.230 0.000 1.035 24 V CA 1.032 63.117 62.300 -0.358 0.000 1.035 24 V CB -0.497 31.072 31.823 -0.424 0.000 0.673 24 V HN 0.230 nan 8.190 nan 0.000 0.457 25 L N -0.189 120.961 121.223 -0.121 0.000 2.141 25 L HA -0.144 4.196 4.340 0.000 0.000 0.209 25 L C 2.580 179.501 176.870 0.085 0.000 1.094 25 L CA 1.683 56.546 54.840 0.038 0.000 0.763 25 L CB -1.014 41.089 42.059 0.074 0.000 0.908 25 L HN 0.339 nan 8.230 nan 0.000 0.437 26 T N -0.073 114.514 114.554 0.056 0.000 2.821 26 T HA -0.095 4.255 4.350 0.000 0.000 0.267 26 T C 2.016 176.762 174.700 0.077 0.000 1.046 26 T CA 1.300 63.440 62.100 0.067 0.000 1.139 26 T CB -0.069 68.848 68.868 0.082 0.000 0.871 26 T HN 0.439 nan 8.240 nan 0.000 0.454 27 A N 0.982 123.860 122.820 0.098 0.000 1.897 27 A HA 0.133 4.453 4.320 0.000 0.000 0.215 27 A C 2.271 179.933 177.584 0.131 0.000 1.181 27 A CA 0.899 53.032 52.037 0.159 0.000 0.620 27 A CB -0.702 18.494 19.000 0.327 0.000 0.821 27 A HN 0.442 nan 8.150 nan 0.000 0.443 28 L N -0.747 120.492 121.223 0.027 0.000 2.056 28 L HA -0.184 4.156 4.340 0.000 0.000 0.207 28 L C 3.101 180.012 176.870 0.067 0.000 1.078 28 L CA 1.048 55.926 54.840 0.064 0.000 0.749 28 L CB -0.526 41.573 42.059 0.068 0.000 0.901 28 L HN 0.454 nan 8.230 nan 0.000 0.433 29 A N 0.330 123.159 122.820 0.015 0.000 1.873 29 A HA -0.265 4.055 4.320 0.000 0.000 0.215 29 A C 2.023 179.587 177.584 -0.034 0.000 1.186 29 A CA 2.149 54.118 52.037 -0.113 0.000 0.616 29 A CB -0.758 18.164 19.000 -0.130 0.000 0.823 29 A HN 0.482 nan 8.150 nan 0.000 0.442 30 N N -0.124 118.591 118.700 0.026 0.000 2.069 30 N HA -0.076 4.664 4.740 0.000 0.000 0.191 30 N C 1.780 177.335 175.510 0.074 0.000 1.031 30 N CA 2.202 55.281 53.050 0.048 0.000 0.852 30 N CB -0.615 37.915 38.487 0.072 0.000 1.018 30 N HN 0.299 nan 8.380 nan 0.000 0.423 31 G N 0.593 109.465 108.800 0.120 0.000 2.446 31 G HA2 -0.196 3.764 3.960 0.000 0.000 0.217 31 G HA3 -0.196 3.764 3.960 0.000 0.000 0.217 31 G C 1.604 176.584 174.900 0.133 0.000 1.168 31 G CA 0.831 46.034 45.100 0.171 0.000 0.771 31 G HN 0.324 nan 8.290 nan 0.000 0.551 32 L N 1.313 122.589 121.223 0.088 0.000 2.017 32 L HA -0.141 4.199 4.340 0.000 0.000 0.208 32 L C 3.389 180.273 176.870 0.024 0.000 1.073 32 L CA 1.721 56.588 54.840 0.046 0.000 0.745 32 L CB -0.468 41.567 42.059 -0.040 0.000 0.894 32 L HN 0.462 nan 8.230 nan 0.000 0.432 33 S N -0.230 115.467 115.700 -0.006 0.000 2.399 33 S HA -0.157 4.313 4.470 0.000 0.000 0.231 33 S C 1.682 176.295 174.600 0.022 0.000 1.022 33 S CA 0.986 59.181 58.200 -0.007 0.000 0.983 33 S CB -0.501 62.684 63.200 -0.024 0.000 0.803 33 S HN 0.417 nan 8.310 nan 0.000 0.480 34 L N 1.174 122.423 121.223 0.042 0.000 2.653 34 L HA 0.319 4.659 4.340 0.000 0.000 0.231 34 L C 1.562 178.470 176.870 0.063 0.000 1.153 34 L CA 0.207 55.077 54.840 0.050 0.000 0.933 34 L CB -0.701 41.391 42.059 0.054 0.000 1.175 34 L HN 0.609 nan 8.230 nan 0.000 0.473 35 G N 1.360 110.206 108.800 0.076 0.000 2.249 35 G HA2 -0.321 3.639 3.960 0.000 0.000 0.273 35 G HA3 -0.321 3.639 3.960 0.000 0.000 0.273 35 G C 0.427 175.389 174.900 0.103 0.000 1.036 35 G CA 0.080 45.238 45.100 0.097 0.000 0.824 35 G HN 0.376 nan 8.290 nan 0.000 0.504 36 R N 0.353 120.922 120.500 0.114 0.000 2.522 36 R HA 0.396 4.736 4.340 0.000 0.000 0.290 36 R C -0.179 176.221 176.300 0.168 0.000 1.216 36 R CA -0.599 55.563 56.100 0.103 0.000 1.250 36 R CB -0.042 30.331 30.300 0.121 0.000 1.143 36 R HN 0.185 nan 8.270 nan 0.000 0.553 37 I N 4.011 124.660 120.570 0.131 0.000 2.339 37 I HA 0.262 4.432 4.170 0.000 0.000 0.290 37 I C 0.321 176.501 176.117 0.105 0.000 0.994 37 I CA -1.115 60.316 61.300 0.219 0.000 1.191 37 I CB 0.893 38.987 38.000 0.156 0.000 1.343 37 I HN 0.421 nan 8.210 nan 0.000 0.458 38 H N 4.525 123.607 119.070 0.020 0.000 2.544 38 H HA 0.240 4.796 4.556 0.000 0.000 0.365 38 H C 1.389 176.674 175.328 -0.071 0.000 1.268 38 H CA -0.240 55.738 56.048 -0.117 0.000 1.400 38 H CB 0.676 30.188 29.762 -0.416 0.000 1.538 38 H HN 0.522 nan 8.280 nan 0.000 0.597 39 H N -0.629 118.454 119.070 0.023 0.000 2.512 39 H HA 0.369 4.925 4.556 0.000 0.000 0.279 39 H C -0.199 175.217 175.328 0.146 0.000 0.999 39 H CA 0.631 56.730 56.048 0.084 0.000 1.283 39 H CB 0.198 30.013 29.762 0.088 0.000 1.421 39 H HN 0.445 nan 8.280 nan 0.000 0.554 40 A N 0.299 122.816 122.820 -0.505 0.000 2.488 40 A HA 0.558 4.878 4.320 0.000 0.000 0.298 40 A C -1.981 175.394 177.584 -0.349 0.000 1.044 40 A CA -0.709 51.195 52.037 -0.222 0.000 0.693 40 A CB 1.306 20.149 19.000 -0.261 0.000 1.272 40 A HN 0.180 nan 8.150 nan 0.000 0.402 41 Y N 0.751 121.005 120.300 -0.078 0.000 2.446 41 Y HA 0.682 5.232 4.550 0.000 0.000 0.345 41 Y C -0.187 175.543 175.900 -0.283 0.000 0.984 41 Y CA -0.866 57.118 58.100 -0.193 0.000 1.058 41 Y CB 2.210 40.600 38.460 -0.116 0.000 1.220 41 Y HN 0.676 nan 8.280 nan 0.000 0.455 42 L N 4.101 125.128 121.223 -0.328 0.000 2.356 42 L HA 0.587 4.927 4.340 0.000 0.000 0.277 42 L C -1.877 174.710 176.870 -0.473 0.000 0.996 42 L CA -0.678 53.996 54.840 -0.277 0.000 0.822 42 L CB 0.941 42.879 42.059 -0.201 0.000 1.256 42 L HN 0.558 nan 8.230 nan 0.000 0.413 43 F N 2.930 122.941 119.950 0.101 0.000 2.427 43 F HA 0.438 4.965 4.527 0.000 0.000 0.348 43 F C 0.490 176.316 175.800 0.043 0.000 1.125 43 F CA -0.449 57.599 58.000 0.080 0.000 0.989 43 F CB 2.046 41.079 39.000 0.055 0.000 1.165 43 F HN 0.400 nan 8.300 nan 0.000 0.442 44 S N 1.869 117.657 115.700 0.146 0.000 2.689 44 S HA 1.030 5.500 4.470 0.000 0.000 0.306 44 S C -0.253 174.435 174.600 0.148 0.000 1.104 44 S CA -0.348 57.923 58.200 0.118 0.000 0.973 44 S CB 2.143 65.382 63.200 0.066 0.000 1.121 44 S HN 1.372 nan 8.310 nan 0.000 0.523 45 G N 0.379 109.252 108.800 0.122 0.000 2.347 45 G HA2 0.373 4.333 3.960 0.000 0.000 0.321 45 G HA3 0.373 4.333 3.960 0.000 0.000 0.321 45 G C -0.248 174.699 174.900 0.079 0.000 1.412 45 G CA -0.174 44.993 45.100 0.112 0.000 0.990 45 G HN 1.379 nan 8.290 nan 0.000 0.637 46 T N -0.700 113.893 114.554 0.065 0.000 3.449 46 T HA 0.524 4.874 4.350 0.000 0.000 0.387 46 T C 0.684 175.412 174.700 0.048 0.000 1.222 46 T CA -0.110 62.019 62.100 0.049 0.000 1.008 46 T CB 0.339 69.230 68.868 0.039 0.000 1.688 46 T HN 0.573 nan 8.240 nan 0.000 0.542 47 R N 0.835 121.358 120.500 0.038 0.000 2.390 47 R HA 0.426 4.766 4.340 0.000 0.000 0.291 47 R C 1.314 177.629 176.300 0.025 0.000 1.070 47 R CA 0.482 56.602 56.100 0.034 0.000 1.014 47 R CB 0.188 30.506 30.300 0.030 0.000 1.007 47 R HN 1.166 nan 8.270 nan 0.000 0.466 48 G N 1.658 110.470 108.800 0.021 0.000 2.356 48 G HA2 -0.272 3.688 3.960 0.000 0.000 0.296 48 G HA3 -0.272 3.688 3.960 0.000 0.000 0.296 48 G C 0.595 175.500 174.900 0.007 0.000 1.022 48 G CA 0.701 45.808 45.100 0.011 0.000 0.961 48 G HN 0.538 nan 8.290 nan 0.000 0.510 49 V N -3.957 115.962 119.914 0.009 0.000 3.644 49 V HA 0.667 4.787 4.120 0.000 0.000 0.267 49 V C 1.709 177.793 176.094 -0.017 0.000 1.277 49 V CA 1.084 63.389 62.300 0.009 0.000 1.096 49 V CB 0.289 32.131 31.823 0.032 0.000 0.828 49 V HN 2.124 nan 8.190 nan 0.000 0.446 50 G N 0.537 109.313 108.800 -0.039 0.000 2.151 50 G HA2 -0.181 3.779 3.960 0.000 0.000 0.140 50 G HA3 -0.181 3.779 3.960 0.000 0.000 0.140 50 G C 0.587 175.395 174.900 -0.154 0.000 1.020 50 G CA 0.228 45.272 45.100 -0.094 0.000 0.688 50 G HN 0.426 nan 8.290 nan 0.000 0.500 51 K N -0.075 120.265 120.400 -0.101 0.000 2.002 51 K HA -0.069 4.251 4.320 0.000 0.000 0.209 51 K C 2.510 178.958 176.600 -0.254 0.000 1.048 51 K CA 1.948 58.154 56.287 -0.134 0.000 0.930 51 K CB -0.334 32.180 32.500 0.024 0.000 0.714 51 K HN 0.301 nan 8.250 nan 0.000 0.438 52 T N 0.957 115.423 114.554 -0.147 0.000 2.821 52 T HA -0.087 4.263 4.350 0.000 0.000 0.267 52 T C 2.151 176.722 174.700 -0.214 0.000 1.046 52 T CA 1.323 63.336 62.100 -0.145 0.000 1.139 52 T CB -0.159 68.667 68.868 -0.068 0.000 0.871 52 T HN 0.129 nan 8.240 nan 0.000 0.454 53 S N 1.256 116.830 115.700 -0.211 0.000 2.353 53 S HA -0.029 4.441 4.470 0.000 0.000 0.222 53 S C 2.049 176.429 174.600 -0.366 0.000 1.035 53 S CA 1.043 59.104 58.200 -0.232 0.000 1.025 53 S CB -0.433 62.654 63.200 -0.189 0.000 0.902 53 S HN 0.417 nan 8.310 nan 0.000 0.440 54 I N 1.479 121.751 120.570 -0.497 0.000 2.252 54 I HA -0.193 3.977 4.170 0.000 0.000 0.245 54 I C 2.707 178.349 176.117 -0.793 0.000 1.102 54 I CA 1.018 61.883 61.300 -0.726 0.000 1.385 54 I CB -0.565 36.962 38.000 -0.788 0.000 1.064 54 I HN 0.268 nan 8.210 nan 0.000 0.414 55 A N 0.683 123.004 122.820 -0.832 0.000 1.908 55 A HA -0.239 4.081 4.320 0.000 0.000 0.218 55 A C 2.445 179.852 177.584 -0.296 0.000 1.181 55 A CA 1.549 53.244 52.037 -0.570 0.000 0.627 55 A CB -0.628 18.186 19.000 -0.311 0.000 0.818 55 A HN 0.290 nan 8.150 nan 0.000 0.445 56 R N -0.726 119.618 120.500 -0.259 0.000 2.096 56 R HA -0.052 4.288 4.340 0.000 0.000 0.235 56 R C 2.052 178.253 176.300 -0.164 0.000 1.127 56 R CA 1.425 57.425 56.100 -0.167 0.000 0.968 56 R CB -0.400 29.815 30.300 -0.143 0.000 0.861 56 R HN 0.580 nan 8.270 nan 0.000 0.440 57 L N 0.326 121.402 121.223 -0.246 0.000 2.093 57 L HA -0.194 4.146 4.340 0.000 0.000 0.208 57 L C 2.406 179.267 176.870 -0.016 0.000 1.085 57 L CA 0.517 55.256 54.840 -0.169 0.000 0.755 57 L CB -0.442 41.346 42.059 -0.451 0.000 0.904 57 L HN 0.214 nan 8.230 nan 0.000 0.435 58 L N 0.500 121.648 121.223 -0.126 0.000 2.017 58 L HA -0.163 4.177 4.340 0.000 0.000 0.208 58 L C 2.651 179.498 176.870 -0.038 0.000 1.073 58 L CA 2.105 56.929 54.840 -0.027 0.000 0.745 58 L CB -0.821 41.129 42.059 -0.182 0.000 0.894 58 L HN 0.147 nan 8.230 nan 0.000 0.432 59 A N -0.807 121.976 122.820 -0.063 0.000 1.940 59 A HA -0.272 4.048 4.320 0.000 0.000 0.219 59 A C 2.468 180.051 177.584 -0.002 0.000 1.176 59 A CA 2.046 54.073 52.037 -0.017 0.000 0.631 59 A CB -0.614 18.382 19.000 -0.007 0.000 0.814 59 A HN 0.516 nan 8.150 nan 0.000 0.446 60 K N -0.958 119.425 120.400 -0.029 0.000 2.057 60 K HA -0.096 4.224 4.320 0.000 0.000 0.206 60 K C 2.054 178.651 176.600 -0.004 0.000 1.050 60 K CA 1.184 57.442 56.287 -0.049 0.000 0.935 60 K CB -0.448 32.025 32.500 -0.045 0.000 0.715 60 K HN 0.433 nan 8.250 nan 0.000 0.439 61 G N 0.783 109.613 108.800 0.049 0.000 2.422 61 G HA2 -0.192 3.768 3.960 0.000 0.000 0.218 61 G HA3 -0.192 3.768 3.960 0.000 0.000 0.218 61 G C 1.394 176.327 174.900 0.055 0.000 1.140 61 G CA 0.454 45.576 45.100 0.037 0.000 0.775 61 G HN 0.173 nan 8.290 nan 0.000 0.545 62 L N -0.019 121.254 121.223 0.082 0.000 2.179 62 L HA 0.102 4.443 4.340 0.000 0.000 0.208 62 L C 1.936 178.986 176.870 0.299 0.000 1.096 62 L CA 0.608 55.561 54.840 0.188 0.000 0.779 62 L CB -0.039 42.080 42.059 0.100 0.000 0.922 62 L HN 0.115 nan 8.230 nan 0.000 0.443 63 N N -1.285 117.519 118.700 0.173 0.000 2.187 63 N HA 0.045 4.785 4.740 0.000 0.000 0.212 63 N C 0.003 175.525 175.510 0.020 0.000 1.152 63 N CA -0.063 53.073 53.050 0.142 0.000 0.872 63 N CB 0.381 38.972 38.487 0.175 0.000 1.025 63 N HN 0.166 nan 8.380 nan 0.000 0.514 64 C N 1.893 121.191 119.300 -0.003 0.000 2.596 64 C HA 0.019 4.479 4.460 0.000 0.000 0.414 64 C C 1.922 176.902 174.990 -0.016 0.000 1.396 64 C CA 0.020 59.016 59.018 -0.038 0.000 1.698 64 C CB -0.325 27.397 27.740 -0.029 0.000 2.572 64 C HN 0.466 nan 8.230 nan 0.000 0.604 65 E N 1.859 122.042 120.200 -0.029 0.000 2.209 65 E HA -0.171 4.179 4.350 0.000 0.000 0.196 65 E C 2.022 178.614 176.600 -0.012 0.000 0.993 65 E CA 1.659 58.050 56.400 -0.014 0.000 0.819 65 E CB -0.029 29.661 29.700 -0.017 0.000 0.745 65 E HN 0.879 nan 8.360 nan 0.000 0.477 66 T N -0.395 114.149 114.554 -0.016 0.000 2.881 66 T HA 0.043 4.393 4.350 0.000 0.000 0.270 66 T C 0.477 175.173 174.700 -0.006 0.000 1.068 66 T CA 1.001 63.093 62.100 -0.014 0.000 1.131 66 T CB -0.012 68.844 68.868 -0.019 0.000 0.871 66 T HN 0.453 nan 8.240 nan 0.000 0.479 67 G N -0.206 108.595 108.800 0.001 0.000 2.340 67 G HA2 0.062 4.022 3.960 0.000 0.000 0.527 67 G HA3 0.062 4.022 3.960 0.000 0.000 0.527 67 G C -1.063 173.856 174.900 0.032 0.000 1.381 67 G CA -1.048 44.060 45.100 0.014 0.000 1.001 67 G HN 0.264 nan 8.290 nan 0.000 0.626 68 I N 1.659 122.266 120.570 0.061 0.000 2.578 68 I HA 0.367 4.537 4.170 0.000 0.000 0.286 68 I C 0.928 177.068 176.117 0.038 0.000 1.126 68 I CA 0.823 62.179 61.300 0.093 0.000 1.380 68 I CB 0.642 38.735 38.000 0.155 0.000 1.408 68 I HN 0.607 nan 8.210 nan 0.000 0.532 69 T N 3.941 118.497 114.554 0.003 0.000 2.883 69 T HA 0.576 4.926 4.350 0.000 0.000 0.301 69 T C 0.453 175.070 174.700 -0.139 0.000 1.158 69 T CA -0.249 61.818 62.100 -0.055 0.000 1.007 69 T CB 1.783 70.618 68.868 -0.055 0.000 1.186 69 T HN 0.534 nan 8.240 nan 0.000 0.499 70 A N 1.678 124.360 122.820 -0.229 0.000 2.251 70 A HA 0.318 4.638 4.320 0.000 0.000 0.209 70 A C 1.027 178.280 177.584 -0.550 0.000 1.187 70 A CA 0.822 52.556 52.037 -0.506 0.000 0.823 70 A CB -0.422 18.301 19.000 -0.461 0.000 0.846 70 A HN 0.983 nan 8.150 nan 0.000 0.486 71 T N -1.353 113.043 114.554 -0.263 0.000 3.410 71 T HA 0.484 4.834 4.350 0.000 0.000 0.328 71 T C -3.067 171.587 174.700 -0.077 0.000 1.567 71 T CA -1.861 60.145 62.100 -0.157 0.000 1.626 71 T CB 0.589 69.392 68.868 -0.109 0.000 0.939 71 T HN -0.049 nan 8.240 nan 0.000 0.656 72 P HA 0.044 nan 4.420 nan 0.000 0.263 72 P C 1.616 178.898 177.300 -0.030 0.000 1.175 72 P CA -0.399 62.684 63.100 -0.028 0.000 0.761 72 P CB 0.354 32.051 31.700 -0.005 0.000 0.794 73 C N 1.736 121.014 119.300 -0.036 0.000 2.425 73 C HA 0.088 4.548 4.460 0.000 0.000 0.277 73 C C 1.968 176.937 174.990 -0.035 0.000 1.280 73 C CA 0.919 59.917 59.018 -0.033 0.000 1.744 73 C CB -1.790 25.930 27.740 -0.033 0.000 1.989 73 C HN 0.775 nan 8.230 nan 0.000 0.491 74 G N 0.047 108.819 108.800 -0.046 0.000 2.179 74 G HA2 -0.257 3.703 3.960 0.000 0.000 0.260 74 G HA3 -0.257 3.703 3.960 0.000 0.000 0.260 74 G C 0.780 175.647 174.900 -0.056 0.000 0.977 74 G CA 0.955 46.023 45.100 -0.052 0.000 0.641 74 G HN 1.711 nan 8.290 nan 0.000 0.533 75 V N -2.035 117.849 119.914 -0.051 0.000 3.548 75 V HA 0.390 4.510 4.120 0.000 0.000 0.279 75 V C 1.746 177.812 176.094 -0.047 0.000 1.446 75 V CA 0.468 62.741 62.300 -0.046 0.000 1.023 75 V CB -0.856 30.946 31.823 -0.035 0.000 0.820 75 V HN 1.346 nan 8.190 nan 0.000 0.438 76 C N 0.447 119.714 119.300 -0.055 0.000 2.580 76 C HA 0.432 4.893 4.460 0.000 0.000 0.371 76 C C 1.734 176.684 174.990 -0.067 0.000 1.308 76 C CA 0.291 59.278 59.018 -0.053 0.000 2.428 76 C CB 0.801 28.509 27.740 -0.053 0.000 2.529 76 C HN 0.520 nan 8.230 nan 0.000 0.657 77 D N 1.220 121.591 120.400 -0.048 0.000 2.123 77 D HA -0.122 4.518 4.640 0.000 0.000 0.196 77 D C 1.747 177.989 176.300 -0.097 0.000 0.992 77 D CA 1.717 55.693 54.000 -0.040 0.000 0.833 77 D CB -0.366 40.436 40.800 0.004 0.000 0.954 77 D HN 0.667 nan 8.370 nan 0.000 0.455 78 N N 0.308 118.914 118.700 -0.157 0.000 2.069 78 N HA -0.120 4.620 4.740 0.000 0.000 0.191 78 N C 1.991 177.176 175.510 -0.542 0.000 1.031 78 N CA 0.701 53.466 53.050 -0.474 0.000 0.852 78 N CB -0.828 37.425 38.487 -0.390 0.000 1.018 78 N HN 0.204 nan 8.380 nan 0.000 0.423 79 C N 0.855 119.976 119.300 -0.298 0.000 2.429 79 C HA -0.016 4.444 4.460 0.000 0.000 0.277 79 C C 2.625 177.505 174.990 -0.182 0.000 1.262 79 C CA 0.411 59.294 59.018 -0.226 0.000 1.733 79 C CB -0.849 26.810 27.740 -0.135 0.000 2.010 79 C HN 0.470 nan 8.230 nan 0.000 0.483 80 R N 0.557 120.974 120.500 -0.138 0.000 2.073 80 R HA -0.132 4.208 4.340 0.000 0.000 0.234 80 R C 2.093 178.342 176.300 -0.085 0.000 1.134 80 R CA 1.436 57.479 56.100 -0.094 0.000 0.952 80 R CB -0.371 29.890 30.300 -0.064 0.000 0.850 80 R HN 0.648 nan 8.270 nan 0.000 0.433 81 E N 0.596 120.742 120.200 -0.089 0.000 2.077 81 E HA -0.159 4.191 4.350 0.000 0.000 0.193 81 E C 2.019 178.611 176.600 -0.014 0.000 0.989 81 E CA 0.985 57.380 56.400 -0.008 0.000 0.800 81 E CB -0.060 29.718 29.700 0.129 0.000 0.746 81 E HN 0.310 nan 8.360 nan 0.000 0.452 82 I N 0.916 121.390 120.570 -0.161 0.000 2.226 82 I HA -0.256 3.914 4.170 0.000 0.000 0.245 82 I C 2.461 178.541 176.117 -0.062 0.000 1.100 82 I CA 0.931 62.167 61.300 -0.107 0.000 1.374 82 I CB -0.107 37.747 38.000 -0.242 0.000 1.057 82 I HN 0.074 nan 8.210 nan 0.000 0.413 83 E N 1.098 121.246 120.200 -0.086 0.000 2.058 83 E HA -0.262 4.088 4.350 0.000 0.000 0.194 83 E C 2.113 178.684 176.600 -0.047 0.000 0.997 83 E CA 1.641 57.999 56.400 -0.070 0.000 0.801 83 E CB -0.167 29.485 29.700 -0.079 0.000 0.746 83 E HN 0.488 nan 8.360 nan 0.000 0.450 84 Q N -1.539 118.241 119.800 -0.034 0.000 2.436 84 Q HA 0.092 4.432 4.340 0.000 0.000 0.209 84 Q C 1.054 177.052 176.000 -0.004 0.000 0.965 84 Q CA 0.625 56.417 55.803 -0.019 0.000 0.910 84 Q CB 0.270 29.002 28.738 -0.010 0.000 0.980 84 Q HN 0.430 nan 8.270 nan 0.000 0.491 85 G N 1.461 110.266 108.800 0.008 0.000 2.143 85 G HA2 -0.281 3.679 3.960 0.000 0.000 0.248 85 G HA3 -0.281 3.679 3.960 0.000 0.000 0.248 85 G C 0.471 175.393 174.900 0.037 0.000 0.991 85 G CA 0.284 45.396 45.100 0.020 0.000 0.689 85 G HN 0.155 nan 8.290 nan 0.000 0.522 86 R N -0.685 119.850 120.500 0.059 0.000 2.767 86 R HA 0.469 4.809 4.340 0.000 0.000 0.377 86 R C -0.351 176.027 176.300 0.130 0.000 1.151 86 R CA -0.924 55.213 56.100 0.062 0.000 1.046 86 R CB -0.398 29.925 30.300 0.038 0.000 1.404 86 R HN 0.240 nan 8.270 nan 0.000 0.580 87 F N -0.030 119.894 119.950 -0.043 0.000 2.405 87 F HA 0.181 4.708 4.527 0.000 0.000 0.355 87 F C 1.306 177.073 175.800 -0.056 0.000 1.121 87 F CA -0.994 56.979 58.000 -0.044 0.000 1.112 87 F CB 1.216 40.191 39.000 -0.042 0.000 1.126 87 F HN -0.110 nan 8.300 nan 0.000 0.481 88 V N 4.807 124.428 119.914 -0.488 0.000 2.568 88 V HA -0.203 3.917 4.120 0.000 0.000 0.253 88 V C 1.000 176.747 176.094 -0.579 0.000 1.072 88 V CA 2.389 64.417 62.300 -0.454 0.000 1.084 88 V CB -0.357 31.251 31.823 -0.359 0.000 0.676 88 V HN 0.743 nan 8.190 nan 0.000 0.469 89 D N -0.166 119.609 120.400 -1.042 0.000 2.368 89 D HA 0.211 4.851 4.640 0.000 0.000 0.218 89 D C 0.022 176.155 176.300 -0.278 0.000 1.112 89 D CA -0.020 53.608 54.000 -0.620 0.000 0.834 89 D CB 0.803 41.276 40.800 -0.545 0.000 0.953 89 D HN 0.417 nan 8.370 nan 0.000 0.505 90 L N 1.461 122.586 121.223 -0.164 0.000 2.384 90 L HA 0.394 4.735 4.340 0.000 0.000 0.261 90 L C -0.947 175.843 176.870 -0.133 0.000 1.024 90 L CA -0.451 54.379 54.840 -0.015 0.000 0.899 90 L CB 0.670 42.847 42.059 0.197 0.000 1.243 90 L HN -0.170 nan 8.230 nan 0.000 0.449 91 I N 3.931 124.325 120.570 -0.293 0.000 2.291 91 I HA 0.234 4.404 4.170 0.000 0.000 0.292 91 I C 0.226 176.276 176.117 -0.112 0.000 1.064 91 I CA -0.227 60.908 61.300 -0.275 0.000 1.269 91 I CB 0.711 38.381 38.000 -0.551 0.000 1.418 91 I HN 0.558 nan 8.210 nan 0.000 0.485 92 E N 6.939 127.118 120.200 -0.036 0.000 2.194 92 E HA 0.454 4.804 4.350 0.000 0.000 0.284 92 E C -0.685 175.943 176.600 0.048 0.000 1.035 92 E CA -0.283 56.128 56.400 0.019 0.000 0.836 92 E CB 1.440 31.147 29.700 0.013 0.000 1.070 92 E HN 0.478 nan 8.360 nan 0.000 0.401 93 I N 2.679 123.301 120.570 0.087 0.000 2.433 93 I HA 0.168 4.338 4.170 0.000 0.000 0.292 93 I C -0.547 175.610 176.117 0.066 0.000 1.001 93 I CA -0.718 60.636 61.300 0.090 0.000 1.119 93 I CB 1.723 39.808 38.000 0.141 0.000 1.289 93 I HN 0.378 nan 8.210 nan 0.000 0.438 94 D N 5.089 125.514 120.400 0.040 0.000 2.472 94 D HA 0.413 5.053 4.640 0.000 0.000 0.234 94 D C 0.698 176.999 176.300 0.002 0.000 1.088 94 D CA -0.357 53.657 54.000 0.024 0.000 0.882 94 D CB 1.812 42.621 40.800 0.016 0.000 1.037 94 D HN 0.614 nan 8.370 nan 0.000 0.520 95 A N 3.174 125.987 122.820 -0.011 0.000 2.067 95 A HA 0.054 4.374 4.320 0.000 0.000 0.219 95 A C 1.897 179.434 177.584 -0.078 0.000 1.158 95 A CA 1.418 53.421 52.037 -0.057 0.000 0.661 95 A CB -0.137 18.810 19.000 -0.088 0.000 0.801 95 A HN 0.556 nan 8.150 nan 0.000 0.452 96 A N -0.775 122.010 122.820 -0.059 0.000 2.208 96 A HA 0.298 4.618 4.320 0.000 0.000 0.209 96 A C 1.357 178.922 177.584 -0.031 0.000 1.161 96 A CA 0.729 52.733 52.037 -0.055 0.000 0.782 96 A CB -0.394 18.586 19.000 -0.033 0.000 0.816 96 A HN 0.409 nan 8.150 nan 0.000 0.477 97 S N -0.418 115.269 115.700 -0.022 0.000 2.499 97 S HA 0.289 4.759 4.470 0.000 0.000 0.275 97 S C 1.088 175.678 174.600 -0.017 0.000 1.257 97 S CA -0.556 57.636 58.200 -0.013 0.000 1.050 97 S CB 0.422 63.619 63.200 -0.005 0.000 0.937 97 S HN 0.514 nan 8.310 nan 0.000 0.490 98 R N 2.499 122.991 120.500 -0.013 0.000 2.189 98 R HA -0.016 4.325 4.340 0.000 0.000 0.218 98 R C 1.580 177.874 176.300 -0.010 0.000 1.074 98 R CA 1.511 57.603 56.100 -0.013 0.000 0.991 98 R CB -0.195 30.099 30.300 -0.009 0.000 0.883 98 R HN 0.626 nan 8.270 nan 0.000 0.457 99 T N 0.305 114.854 114.554 -0.007 0.000 3.035 99 T HA 0.038 4.388 4.350 0.000 0.000 0.259 99 T C 1.000 175.697 174.700 -0.004 0.000 1.078 99 T CA 0.784 62.881 62.100 -0.005 0.000 1.132 99 T CB 0.211 69.077 68.868 -0.002 0.000 0.900 99 T HN 0.148 nan 8.240 nan 0.000 0.480 100 K N 2.131 122.529 120.400 -0.003 0.000 2.675 100 K HA 0.236 4.556 4.320 0.000 0.000 0.213 100 K C 1.600 178.199 176.600 -0.001 0.000 1.074 100 K CA -0.078 56.210 56.287 0.001 0.000 1.172 100 K CB 0.261 32.764 32.500 0.005 0.000 0.927 100 K HN 0.216 nan 8.250 nan 0.000 0.471 101 V N -1.489 118.420 119.914 -0.008 0.000 2.407 101 V HA -0.262 3.858 4.120 0.000 0.000 0.248 101 V C 2.138 178.229 176.094 -0.006 0.000 1.055 101 V CA 1.670 63.962 62.300 -0.014 0.000 1.049 101 V CB -0.486 31.325 31.823 -0.021 0.000 0.662 101 V HN 0.394 nan 8.190 nan 0.000 0.455 102 E N 0.478 120.677 120.200 -0.002 0.000 2.028 102 E HA -0.220 4.130 4.350 0.000 0.000 0.190 102 E C 2.014 178.623 176.600 0.016 0.000 0.984 102 E CA 1.272 57.673 56.400 0.003 0.000 0.800 102 E CB -0.140 29.560 29.700 0.000 0.000 0.758 102 E HN 0.592 nan 8.360 nan 0.000 0.448 103 D N -0.023 120.387 120.400 0.017 0.000 2.158 103 D HA -0.150 4.490 4.640 0.000 0.000 0.197 103 D C 1.902 178.226 176.300 0.041 0.000 0.995 103 D CA 1.489 55.506 54.000 0.028 0.000 0.846 103 D CB -0.374 40.441 40.800 0.024 0.000 0.941 103 D HN 0.208 nan 8.370 nan 0.000 0.456 104 T N 0.524 115.097 114.554 0.032 0.000 2.674 104 T HA -0.167 4.183 4.350 0.000 0.000 0.265 104 T C 1.971 176.697 174.700 0.042 0.000 1.039 104 T CA 1.156 63.277 62.100 0.036 0.000 1.150 104 T CB -0.003 68.870 68.868 0.008 0.000 0.864 104 T HN 0.149 nan 8.240 nan 0.000 0.427 105 R N 0.808 121.331 120.500 0.038 0.000 2.073 105 R HA -0.134 4.206 4.340 0.000 0.000 0.234 105 R C 1.981 178.330 176.300 0.081 0.000 1.134 105 R CA 1.919 58.060 56.100 0.068 0.000 0.952 105 R CB -0.249 30.085 30.300 0.058 0.000 0.850 105 R HN 0.299 nan 8.270 nan 0.000 0.433 106 D N 0.641 121.080 120.400 0.064 0.000 2.084 106 D HA -0.167 4.473 4.640 0.000 0.000 0.194 106 D C 2.065 178.411 176.300 0.077 0.000 0.990 106 D CA 1.213 55.254 54.000 0.067 0.000 0.826 106 D CB -0.316 40.514 40.800 0.051 0.000 0.971 106 D HN 0.265 nan 8.370 nan 0.000 0.453 107 L N 0.394 121.670 121.223 0.088 0.000 2.079 107 L HA -0.163 4.177 4.340 0.000 0.000 0.210 107 L C 2.532 179.472 176.870 0.116 0.000 1.081 107 L CA 0.759 55.679 54.840 0.132 0.000 0.752 107 L CB -0.337 41.827 42.059 0.174 0.000 0.896 107 L HN 0.042 nan 8.230 nan 0.000 0.433 108 L N -0.833 120.433 121.223 0.072 0.000 2.291 108 L HA -0.133 4.207 4.340 0.000 0.000 0.214 108 L C 1.611 178.472 176.870 -0.014 0.000 1.120 108 L CA 0.611 55.454 54.840 0.004 0.000 0.799 108 L CB -0.371 41.683 42.059 -0.009 0.000 0.925 108 L HN 0.265 nan 8.230 nan 0.000 0.446 109 D N -0.284 120.134 120.400 0.030 0.000 2.348 109 D HA 0.007 4.647 4.640 0.000 0.000 0.211 109 D C 0.469 176.802 176.300 0.056 0.000 0.998 109 D CA 0.599 54.623 54.000 0.040 0.000 0.873 109 D CB 0.219 41.074 40.800 0.091 0.000 0.925 109 D HN 0.273 nan 8.370 nan 0.000 0.524 110 N N 0.766 119.501 118.700 0.058 0.000 2.723 110 N HA 0.096 4.836 4.740 0.000 0.000 0.290 110 N C -0.631 174.915 175.510 0.060 0.000 1.882 110 N CA -0.099 52.997 53.050 0.076 0.000 0.851 110 N CB 2.200 40.737 38.487 0.084 0.000 1.234 110 N HN -0.151 nan 8.380 nan 0.000 0.491 111 V N 1.493 121.386 119.914 -0.034 0.000 2.617 111 V HA -0.077 4.043 4.120 0.000 0.000 0.304 111 V C 0.871 176.859 176.094 -0.176 0.000 1.040 111 V CA 0.343 62.544 62.300 -0.166 0.000 1.149 111 V CB 0.571 32.124 31.823 -0.450 0.000 0.914 111 V HN 0.326 nan 8.190 nan 0.000 0.487 112 Q N 4.162 123.979 119.800 0.028 0.000 2.441 112 Q HA 0.225 4.565 4.340 0.000 0.000 0.234 112 Q C -0.102 175.910 176.000 0.020 0.000 1.078 112 Q CA -0.213 55.621 55.803 0.052 0.000 0.907 112 Q CB 0.390 29.170 28.738 0.070 0.000 1.269 112 Q HN 0.771 nan 8.270 nan 0.000 0.502 113 Y N 0.722 121.112 120.300 0.150 0.000 2.483 113 Y HA -0.093 4.457 4.550 0.000 0.000 0.291 113 Y C 1.006 177.015 175.900 0.183 0.000 1.143 113 Y CA 0.416 58.615 58.100 0.165 0.000 1.289 113 Y CB 0.426 38.968 38.460 0.136 0.000 0.983 113 Y HN 0.484 nan 8.280 nan 0.000 0.556 114 A N 0.362 123.323 122.820 0.235 0.000 2.311 114 A HA 0.557 4.877 4.320 0.000 0.000 0.306 114 A C -2.612 174.998 177.584 0.043 0.000 1.189 114 A CA -1.840 50.274 52.037 0.130 0.000 0.791 114 A CB 0.425 19.476 19.000 0.085 0.000 1.172 114 A HN -0.112 nan 8.150 nan 0.000 0.481 115 P HA 0.267 nan 4.420 nan 0.000 0.267 115 P C 0.790 178.045 177.300 -0.075 0.000 1.200 115 P CA 0.330 63.405 63.100 -0.042 0.000 0.772 115 P CB 1.091 32.772 31.700 -0.033 0.000 0.855 116 A N 2.345 125.098 122.820 -0.111 0.000 1.997 116 A HA 0.014 4.335 4.320 0.000 0.000 0.212 116 A C 2.024 179.549 177.584 -0.099 0.000 1.178 116 A CA 1.200 53.176 52.037 -0.102 0.000 0.698 116 A CB -0.319 18.611 19.000 -0.117 0.000 0.842 116 A HN 0.454 nan 8.150 nan 0.000 0.458 117 R N -1.176 119.248 120.500 -0.127 0.000 2.610 117 R HA 0.277 4.617 4.340 0.000 0.000 0.171 117 R C 1.267 177.582 176.300 0.025 0.000 0.892 117 R CA 0.971 57.037 56.100 -0.056 0.000 1.086 117 R CB -0.516 29.746 30.300 -0.064 0.000 1.320 117 R HN 0.341 nan 8.270 nan 0.000 0.582 118 G N 0.402 109.252 108.800 0.083 0.000 2.580 118 G HA2 0.170 4.130 3.960 0.000 0.000 0.278 118 G HA3 0.170 4.130 3.960 0.000 0.000 0.278 118 G C 0.096 175.012 174.900 0.026 0.000 1.212 118 G CA -0.138 45.075 45.100 0.188 0.000 0.939 118 G HN 0.443 nan 8.290 nan 0.000 0.513 119 R N -1.557 118.918 120.500 -0.042 0.000 2.235 119 R HA 0.136 4.476 4.340 0.000 0.000 0.213 119 R C -0.463 175.586 176.300 -0.418 0.000 1.059 119 R CA 0.593 56.521 56.100 -0.287 0.000 0.997 119 R CB -0.090 29.953 30.300 -0.428 0.000 0.884 119 R HN 0.225 nan 8.270 nan 0.000 0.462 120 F N 0.372 120.384 119.950 0.104 0.000 2.576 120 F HA 0.439 4.966 4.527 0.000 0.000 0.313 120 F C -0.049 175.790 175.800 0.064 0.000 1.078 120 F CA -1.467 56.604 58.000 0.117 0.000 0.921 120 F CB 1.742 40.818 39.000 0.127 0.000 1.232 120 F HN -0.327 nan 8.300 nan 0.000 0.459 121 K N 2.515 123.074 120.400 0.265 0.000 2.264 121 K HA 0.549 4.869 4.320 0.000 0.000 0.277 121 K C -1.288 175.325 176.600 0.022 0.000 1.067 121 K CA -0.291 56.032 56.287 0.060 0.000 0.900 121 K CB 1.145 33.681 32.500 0.059 0.000 1.124 121 K HN 0.454 nan 8.250 nan 0.000 0.469 122 V N 5.649 125.518 119.914 -0.075 0.000 2.435 122 V HA 0.351 4.472 4.120 0.000 0.000 0.290 122 V C -0.753 175.185 176.094 -0.260 0.000 1.030 122 V CA -0.879 61.368 62.300 -0.088 0.000 0.881 122 V CB 0.928 32.759 31.823 0.013 0.000 0.983 122 V HN 0.491 nan 8.190 nan 0.000 0.445 123 Y N 4.355 124.500 120.300 -0.257 0.000 2.335 123 Y HA 0.560 5.110 4.550 0.000 0.000 0.338 123 Y C -0.070 175.820 175.900 -0.017 0.000 0.977 123 Y CA -0.797 57.197 58.100 -0.177 0.000 1.114 123 Y CB 1.739 40.001 38.460 -0.330 0.000 1.182 123 Y HN 0.395 nan 8.280 nan 0.000 0.463 124 L N 6.448 127.761 121.223 0.151 0.000 2.316 124 L HA 0.575 4.915 4.340 0.000 0.000 0.280 124 L C -1.319 175.655 176.870 0.173 0.000 1.006 124 L CA -0.470 54.461 54.840 0.153 0.000 0.836 124 L CB 0.552 42.658 42.059 0.077 0.000 1.221 124 L HN 0.666 nan 8.230 nan 0.000 0.418 125 I N 4.614 125.310 120.570 0.209 0.000 2.354 125 I HA 0.253 4.423 4.170 0.000 0.000 0.286 125 I C -0.432 175.772 176.117 0.145 0.000 1.007 125 I CA -0.732 60.674 61.300 0.178 0.000 1.167 125 I CB 1.608 39.730 38.000 0.203 0.000 1.320 125 I HN 0.441 nan 8.210 nan 0.000 0.458 126 D N 6.795 127.257 120.400 0.105 0.000 2.302 126 D HA 0.090 4.730 4.640 0.000 0.000 0.248 126 D C 0.390 176.739 176.300 0.081 0.000 1.094 126 D CA -0.042 54.013 54.000 0.091 0.000 0.897 126 D CB 0.777 41.613 40.800 0.060 0.000 1.200 126 D HN 0.386 nan 8.370 nan 0.000 0.429 127 E N 0.424 120.693 120.200 0.114 0.000 2.183 127 E HA -0.174 4.176 4.350 0.000 0.000 0.196 127 E C 0.993 177.619 176.600 0.043 0.000 1.364 127 E CA 0.129 56.599 56.400 0.117 0.000 0.700 127 E CB -1.459 28.246 29.700 0.009 0.000 1.106 127 E HN 0.375 nan 8.360 nan 0.000 0.347 128 V N 1.412 121.421 119.914 0.158 0.000 2.688 128 V HA -0.288 3.832 4.120 0.000 0.000 0.256 128 V C 2.376 178.600 176.094 0.217 0.000 1.084 128 V CA 2.502 64.895 62.300 0.156 0.000 1.103 128 V CB -0.504 31.441 31.823 0.203 0.000 0.688 128 V HN 0.676 nan 8.190 nan 0.000 0.480 129 H N -1.382 117.810 119.070 0.203 0.000 2.546 129 H HA -0.011 4.545 4.556 0.000 0.000 0.277 129 H C 1.674 177.133 175.328 0.218 0.000 1.004 129 H CA 1.171 57.402 56.048 0.304 0.000 1.231 129 H CB -0.432 29.442 29.762 0.188 0.000 1.382 129 H HN 0.482 nan 8.280 nan 0.000 0.580 130 M N 1.103 120.448 119.600 -0.424 0.000 2.494 130 M HA 0.207 4.687 4.480 0.000 0.000 0.232 130 M C 0.191 176.316 176.300 -0.291 0.000 1.137 130 M CA -0.081 55.009 55.300 -0.349 0.000 1.012 130 M CB 0.403 32.772 32.600 -0.384 0.000 1.567 130 M HN 0.056 nan 8.290 nan 0.000 0.486 131 L N 0.574 121.535 121.223 -0.437 0.000 2.452 131 L HA 0.111 4.451 4.340 0.000 0.000 0.267 131 L C 1.096 177.538 176.870 -0.715 0.000 1.188 131 L CA -0.443 54.041 54.840 -0.593 0.000 0.821 131 L CB 0.688 42.286 42.059 -0.768 0.000 1.102 131 L HN 0.257 nan 8.230 nan 0.000 0.470 132 S N 1.924 117.372 115.700 -0.420 0.000 2.589 132 S HA 0.088 4.558 4.470 0.000 0.000 0.265 132 S C 1.027 175.456 174.600 -0.285 0.000 1.342 132 S CA -0.387 57.664 58.200 -0.248 0.000 1.005 132 S CB 0.943 64.094 63.200 -0.083 0.000 0.909 132 S HN 0.708 nan 8.310 nan 0.000 0.555 133 R N -0.225 120.258 120.500 -0.028 0.000 2.120 133 R HA -0.151 4.189 4.340 0.000 0.000 0.234 133 R C 2.232 178.607 176.300 0.125 0.000 1.123 133 R CA 1.749 57.939 56.100 0.150 0.000 0.975 133 R CB -0.737 29.657 30.300 0.156 0.000 0.866 133 R HN 0.961 nan 8.270 nan 0.000 0.446 134 H N -0.190 118.876 119.070 -0.008 0.000 2.290 134 H HA -0.035 4.521 4.556 0.000 0.000 0.298 134 H C 1.911 177.232 175.328 -0.012 0.000 1.087 134 H CA 2.571 58.616 56.048 -0.005 0.000 1.291 134 H CB -0.196 29.553 29.762 -0.022 0.000 1.369 134 H HN 0.080 nan 8.280 nan 0.000 0.492 135 S N -0.300 115.352 115.700 -0.079 0.000 2.383 135 S HA -0.090 4.380 4.470 0.000 0.000 0.227 135 S C 1.856 176.406 174.600 -0.084 0.000 1.026 135 S CA 0.872 58.985 58.200 -0.144 0.000 0.981 135 S CB -0.377 62.746 63.200 -0.128 0.000 0.818 135 S HN 0.289 nan 8.310 nan 0.000 0.472 136 F N 2.865 122.772 119.950 -0.071 0.000 2.065 136 F HA -0.122 4.405 4.527 0.000 0.000 0.298 136 F C 2.334 178.069 175.800 -0.109 0.000 1.112 136 F CA 0.742 58.697 58.000 -0.075 0.000 1.212 136 F CB -0.991 37.985 39.000 -0.041 0.000 0.975 136 F HN 0.219 nan 8.300 nan 0.000 0.476 137 N N 0.026 118.784 118.700 0.098 0.000 2.223 137 N HA -0.124 4.616 4.740 0.000 0.000 0.185 137 N C 2.000 177.459 175.510 -0.084 0.000 1.016 137 N CA 1.207 54.250 53.050 -0.012 0.000 0.863 137 N CB -0.463 38.008 38.487 -0.027 0.000 0.983 137 N HN 0.264 nan 8.380 nan 0.000 0.429 138 A N 1.377 124.105 122.820 -0.153 0.000 1.877 138 A HA -0.124 4.196 4.320 0.000 0.000 0.216 138 A C 2.259 179.756 177.584 -0.144 0.000 1.186 138 A CA 1.010 52.947 52.037 -0.167 0.000 0.620 138 A CB -0.786 18.087 19.000 -0.211 0.000 0.822 138 A HN 0.227 nan 8.150 nan 0.000 0.443 139 L N -0.305 120.829 121.223 -0.148 0.000 1.994 139 L HA -0.130 4.210 4.340 0.000 0.000 0.208 139 L C 2.287 179.025 176.870 -0.220 0.000 1.071 139 L CA 1.835 56.527 54.840 -0.247 0.000 0.745 139 L CB -0.570 41.383 42.059 -0.177 0.000 0.892 139 L HN 0.464 nan 8.230 nan 0.000 0.431 140 L N -0.283 120.872 121.223 -0.114 0.000 1.978 140 L HA -0.358 3.982 4.340 0.000 0.000 0.218 140 L C 2.691 179.508 176.870 -0.088 0.000 1.075 140 L CA 2.439 57.224 54.840 -0.092 0.000 0.767 140 L CB -0.516 41.506 42.059 -0.060 0.000 0.890 140 L HN 0.440 nan 8.230 nan 0.000 0.434 141 K N -1.127 119.227 120.400 -0.075 0.000 2.089 141 K HA -0.234 4.086 4.320 0.000 0.000 0.210 141 K C 1.805 178.380 176.600 -0.042 0.000 1.048 141 K CA 2.423 58.680 56.287 -0.051 0.000 0.926 141 K CB -0.088 32.387 32.500 -0.043 0.000 0.714 141 K HN 0.416 nan 8.250 nan 0.000 0.448 142 T N 1.229 115.735 114.554 -0.079 0.000 2.857 142 T HA -0.033 4.317 4.350 0.000 0.000 0.266 142 T C 1.640 176.316 174.700 -0.039 0.000 1.048 142 T CA 0.920 62.992 62.100 -0.047 0.000 1.139 142 T CB 0.002 68.784 68.868 -0.144 0.000 0.874 142 T HN 0.167 nan 8.240 nan 0.000 0.455 143 L N 0.634 121.795 121.223 -0.103 0.000 2.291 143 L HA 0.013 4.353 4.340 0.000 0.000 0.214 143 L C 2.462 179.319 176.870 -0.022 0.000 1.120 143 L CA 1.126 55.965 54.840 -0.002 0.000 0.799 143 L CB -0.458 41.587 42.059 -0.024 0.000 0.925 143 L HN 0.357 nan 8.230 nan 0.000 0.446 144 E N -0.280 119.895 120.200 -0.043 0.000 2.170 144 E HA -0.074 4.276 4.350 0.000 0.000 0.191 144 E C 0.953 177.518 176.600 -0.058 0.000 0.981 144 E CA 0.383 56.753 56.400 -0.051 0.000 0.830 144 E CB 0.335 30.011 29.700 -0.039 0.000 0.775 144 E HN 0.251 nan 8.360 nan 0.000 0.470 145 E N 1.360 121.542 120.200 -0.031 0.000 3.588 145 E HA 0.154 4.504 4.350 0.000 0.000 0.213 145 E C -2.553 174.060 176.600 0.023 0.000 1.168 145 E CA -2.178 54.214 56.400 -0.014 0.000 1.254 145 E CB 0.763 30.468 29.700 0.008 0.000 1.302 145 E HN -0.090 nan 8.360 nan 0.000 0.429 146 P HA -0.067 nan 4.420 nan 0.000 0.227 146 P C -2.471 174.889 177.300 0.100 0.000 1.036 146 P CA -0.262 62.845 63.100 0.011 0.000 1.080 146 P CB -0.341 31.250 31.700 -0.182 0.000 1.046 147 P HA 0.015 nan 4.420 nan 0.000 0.264 147 P C 0.166 177.570 177.300 0.173 0.000 1.193 147 P CA 0.373 63.647 63.100 0.290 0.000 0.763 147 P CB 0.472 32.439 31.700 0.445 0.000 0.810 148 E N 2.707 122.929 120.200 0.037 0.000 2.349 148 E HA 0.095 4.445 4.350 0.000 0.000 0.262 148 E C 0.496 177.013 176.600 -0.139 0.000 1.088 148 E CA 0.028 56.350 56.400 -0.131 0.000 0.899 148 E CB 0.088 29.567 29.700 -0.369 0.000 1.044 148 E HN 0.484 nan 8.360 nan 0.000 0.420 149 H N -0.492 118.781 119.070 0.339 0.000 3.863 149 H HA -0.135 4.421 4.556 0.000 0.000 0.160 149 H C -0.591 174.968 175.328 0.385 0.000 0.870 149 H CA 0.941 57.208 56.048 0.365 0.000 1.247 149 H CB -1.978 27.894 29.762 0.182 0.000 0.921 149 H HN 0.160 nan 8.280 nan 0.000 0.421 150 V N 2.324 122.450 119.914 0.354 0.000 2.444 150 V HA 0.484 4.604 4.120 0.000 0.000 0.294 150 V C 0.250 176.411 176.094 0.111 0.000 1.022 150 V CA -0.857 61.562 62.300 0.199 0.000 0.850 150 V CB 2.589 34.486 31.823 0.123 0.000 0.992 150 V HN 0.007 nan 8.190 nan 0.000 0.426 151 K N 3.893 124.291 120.400 -0.005 0.000 2.316 151 K HA 0.641 4.961 4.320 0.000 0.000 0.251 151 K C -1.327 175.197 176.600 -0.127 0.000 0.934 151 K CA -0.459 55.833 56.287 0.007 0.000 0.802 151 K CB 2.416 34.894 32.500 -0.037 0.000 1.171 151 K HN 0.435 nan 8.250 nan 0.000 0.426 152 F N 2.312 122.376 119.950 0.189 0.000 2.426 152 F HA 0.409 4.936 4.527 0.000 0.000 0.348 152 F C 0.113 176.038 175.800 0.208 0.000 1.124 152 F CA -0.735 57.374 58.000 0.181 0.000 1.008 152 F CB 1.069 40.128 39.000 0.097 0.000 1.139 152 F HN 0.086 nan 8.300 nan 0.000 0.452 153 L N 6.000 127.431 121.223 0.346 0.000 2.318 153 L HA 0.503 4.843 4.340 0.000 0.000 0.277 153 L C -0.776 176.293 176.870 0.332 0.000 1.008 153 L CA -0.451 54.599 54.840 0.350 0.000 0.846 153 L CB 0.859 43.084 42.059 0.276 0.000 1.220 153 L HN 0.475 nan 8.230 nan 0.000 0.423 154 L N 2.786 124.190 121.223 0.301 0.000 2.334 154 L HA 0.898 5.238 4.340 0.000 0.000 0.275 154 L C 0.191 177.229 176.870 0.280 0.000 1.036 154 L CA -0.525 54.463 54.840 0.247 0.000 0.807 154 L CB 1.749 43.910 42.059 0.170 0.000 1.231 154 L HN 0.645 nan 8.230 nan 0.000 0.438 155 A N 1.185 124.149 122.820 0.239 0.000 2.435 155 A HA 0.853 5.173 4.320 0.000 0.000 0.304 155 A C -0.622 177.083 177.584 0.202 0.000 1.064 155 A CA -0.504 51.675 52.037 0.237 0.000 0.727 155 A CB 2.199 21.315 19.000 0.193 0.000 1.284 155 A HN 0.619 nan 8.150 nan 0.000 0.415 156 T N -0.528 114.138 114.554 0.186 0.000 3.003 156 T HA 0.431 4.781 4.350 0.000 0.000 0.354 156 T C 0.515 175.282 174.700 0.111 0.000 1.651 156 T CA 0.435 62.652 62.100 0.196 0.000 1.103 156 T CB 0.914 69.918 68.868 0.227 0.000 1.450 156 T HN 1.429 nan 8.240 nan 0.000 0.484 157 T N -0.409 114.191 114.554 0.076 0.000 3.081 157 T HA 0.287 4.637 4.350 0.000 0.000 0.250 157 T C 0.315 174.962 174.700 -0.088 0.000 1.100 157 T CA 0.249 62.361 62.100 0.019 0.000 1.038 157 T CB 0.086 68.983 68.868 0.048 0.000 0.962 157 T HN 0.463 nan 8.240 nan 0.000 0.516 158 D N 1.660 121.909 120.400 -0.252 0.000 2.621 158 D HA 0.266 4.906 4.640 0.000 0.000 0.274 158 D C -2.063 174.109 176.300 -0.213 0.000 1.215 158 D CA -1.996 51.818 54.000 -0.310 0.000 0.810 158 D CB 1.694 42.168 40.800 -0.543 0.000 1.248 158 D HN -0.015 nan 8.370 nan 0.000 0.517 159 P HA -0.200 nan 4.420 nan 0.000 0.216 159 P C 1.404 178.685 177.300 -0.032 0.000 1.150 159 P CA 1.122 64.209 63.100 -0.022 0.000 0.843 159 P CB 0.444 32.152 31.700 0.015 0.000 0.787 160 Q N -0.205 119.571 119.800 -0.038 0.000 2.181 160 Q HA -0.147 4.193 4.340 0.000 0.000 0.205 160 Q C 1.832 177.812 176.000 -0.033 0.000 0.980 160 Q CA 1.066 56.848 55.803 -0.035 0.000 0.862 160 Q CB -0.405 28.315 28.738 -0.030 0.000 0.905 160 Q HN 0.356 nan 8.270 nan 0.000 0.429 161 K N 0.409 120.791 120.400 -0.029 0.000 2.515 161 K HA 0.032 4.352 4.320 0.000 0.000 0.196 161 K C 0.806 177.434 176.600 0.046 0.000 1.038 161 K CA 0.344 56.654 56.287 0.038 0.000 0.967 161 K CB -0.088 32.476 32.500 0.106 0.000 0.780 161 K HN 0.236 nan 8.250 nan 0.000 0.483 162 L N 2.251 123.462 121.223 -0.019 0.000 2.350 162 L HA 0.190 4.530 4.340 0.000 0.000 0.275 162 L C -2.158 174.551 176.870 -0.267 0.000 1.099 162 L CA -2.125 52.621 54.840 -0.157 0.000 0.808 162 L CB 0.842 42.855 42.059 -0.077 0.000 1.149 162 L HN -0.202 nan 8.230 nan 0.000 0.442 163 P HA -0.069 nan 4.420 nan 0.000 0.263 163 P C 0.823 177.987 177.300 -0.227 0.000 1.195 163 P CA -0.166 62.717 63.100 -0.362 0.000 0.762 163 P CB 0.667 32.066 31.700 -0.502 0.000 0.799 164 V N 1.672 121.496 119.914 -0.149 0.000 2.828 164 V HA -0.229 3.891 4.120 0.000 0.000 0.260 164 V C 1.654 177.687 176.094 -0.101 0.000 1.101 164 V CA 2.315 64.550 62.300 -0.107 0.000 1.123 164 V CB -2.116 29.661 31.823 -0.078 0.000 0.704 164 V HN 0.604 nan 8.190 nan 0.000 0.493 165 T N -1.382 113.105 114.554 -0.112 0.000 2.867 165 T HA 0.015 4.365 4.350 0.000 0.000 0.268 165 T C 1.810 176.454 174.700 -0.093 0.000 1.057 165 T CA 1.798 63.843 62.100 -0.091 0.000 1.136 165 T CB -0.453 68.362 68.868 -0.088 0.000 0.874 165 T HN 0.519 nan 8.240 nan 0.000 0.466 166 I N 0.270 120.764 120.570 -0.126 0.000 2.385 166 I HA 0.133 4.303 4.170 0.000 0.000 0.244 166 I C 2.460 178.516 176.117 -0.102 0.000 1.089 166 I CA 0.432 61.664 61.300 -0.115 0.000 1.410 166 I CB -0.286 37.628 38.000 -0.143 0.000 1.117 166 I HN 0.137 nan 8.210 nan 0.000 0.429 167 L N 0.452 121.608 121.223 -0.111 0.000 2.043 167 L HA -0.297 4.043 4.340 0.000 0.000 0.212 167 L C 2.693 179.502 176.870 -0.101 0.000 1.075 167 L CA 1.957 56.736 54.840 -0.101 0.000 0.752 167 L CB -0.278 41.727 42.059 -0.090 0.000 0.891 167 L HN 0.267 nan 8.230 nan 0.000 0.432 168 S N -0.832 114.817 115.700 -0.084 0.000 2.469 168 S HA -0.176 4.294 4.470 0.000 0.000 0.238 168 S C 1.874 176.439 174.600 -0.058 0.000 0.998 168 S CA 1.040 59.198 58.200 -0.070 0.000 0.957 168 S CB -0.256 62.911 63.200 -0.055 0.000 0.764 168 S HN 0.447 nan 8.310 nan 0.000 0.514 169 R N -0.424 120.045 120.500 -0.052 0.000 2.359 169 R HA 0.368 4.708 4.340 0.000 0.000 0.231 169 R C -0.191 176.037 176.300 -0.121 0.000 0.913 169 R CA 0.032 56.134 56.100 0.003 0.000 1.075 169 R CB -0.035 30.313 30.300 0.080 0.000 1.087 169 R HN 0.364 nan 8.270 nan 0.000 0.515 170 C N -0.533 118.655 119.300 -0.187 0.000 2.486 170 C HA 0.484 4.944 4.460 0.000 0.000 0.348 170 C C -0.547 174.229 174.990 -0.356 0.000 1.203 170 C CA -1.291 57.548 59.018 -0.298 0.000 1.911 170 C CB 1.193 28.793 27.740 -0.234 0.000 2.340 170 C HN 0.182 nan 8.230 nan 0.000 0.511 171 L N 2.150 123.076 121.223 -0.496 0.000 2.255 171 L HA 0.365 4.705 4.340 0.000 0.000 0.289 171 L C -0.225 176.225 176.870 -0.699 0.000 1.046 171 L CA 0.558 55.017 54.840 -0.635 0.000 0.816 171 L CB 0.438 42.018 42.059 -0.797 0.000 1.197 171 L HN 0.696 nan 8.230 nan 0.000 0.427 172 Q N 4.556 123.928 119.800 -0.715 0.000 2.256 172 Q HA 0.511 4.851 4.340 0.000 0.000 0.254 172 Q C -1.455 173.970 176.000 -0.960 0.000 0.916 172 Q CA 0.072 55.459 55.803 -0.693 0.000 0.932 172 Q CB 1.465 29.918 28.738 -0.475 0.000 1.207 172 Q HN 0.438 nan 8.270 nan 0.000 0.426 173 F N 1.526 121.187 119.950 -0.481 0.000 2.518 173 F HA 0.292 4.819 4.527 0.000 0.000 0.323 173 F C -0.105 175.521 175.800 -0.290 0.000 1.129 173 F CA -0.804 57.020 58.000 -0.294 0.000 0.920 173 F CB 1.376 40.290 39.000 -0.142 0.000 1.160 173 F HN 0.468 nan 8.300 nan 0.000 0.440 174 H N 5.019 124.246 119.070 0.262 0.000 2.690 174 H HA 0.336 4.892 4.556 0.000 0.000 0.289 174 H C -0.628 174.879 175.328 0.299 0.000 1.089 174 H CA -0.657 55.525 56.048 0.224 0.000 1.299 174 H CB 1.318 31.174 29.762 0.158 0.000 1.405 174 H HN 0.359 nan 8.280 nan 0.000 0.463 175 L N 3.295 124.694 121.223 0.294 0.000 2.350 175 L HA 0.198 4.538 4.340 0.000 0.000 0.275 175 L C 0.671 177.665 176.870 0.207 0.000 1.099 175 L CA 0.034 55.015 54.840 0.234 0.000 0.808 175 L CB 0.685 42.829 42.059 0.141 0.000 1.149 175 L HN 0.409 nan 8.230 nan 0.000 0.442 176 K N 1.268 121.785 120.400 0.195 0.000 2.106 176 K HA 0.768 5.089 4.320 0.000 0.000 0.246 176 K C -0.175 176.474 176.600 0.080 0.000 0.987 176 K CA -0.767 55.594 56.287 0.123 0.000 0.904 176 K CB 1.302 33.864 32.500 0.104 0.000 1.071 176 K HN 0.682 nan 8.250 nan 0.000 0.453 177 A N 1.638 124.490 122.820 0.054 0.000 2.251 177 A HA 0.537 4.857 4.320 0.000 0.000 0.278 177 A C -0.415 177.186 177.584 0.029 0.000 1.206 177 A CA -0.274 51.785 52.037 0.037 0.000 0.822 177 A CB 0.151 19.168 19.000 0.028 0.000 1.187 177 A HN 0.570 nan 8.150 nan 0.000 0.504 178 L N -1.011 120.223 121.223 0.019 0.000 2.327 178 L HA 0.355 4.695 4.340 0.000 0.000 0.258 178 L C -0.757 176.117 176.870 0.007 0.000 1.024 178 L CA -1.015 53.833 54.840 0.013 0.000 0.825 178 L CB 1.686 43.750 42.059 0.009 0.000 1.386 178 L HN 0.704 nan 8.230 nan 0.000 0.417 179 D N 0.373 120.775 120.400 0.003 0.000 2.383 179 D HA 0.095 4.735 4.640 0.000 0.000 0.252 179 D C 0.956 177.257 176.300 0.003 0.000 1.166 179 D CA -0.087 53.914 54.000 0.001 0.000 0.879 179 D CB 1.893 42.692 40.800 -0.003 0.000 1.164 179 D HN 0.260 nan 8.370 nan 0.000 0.462 180 V N 4.615 124.531 119.914 0.004 0.000 2.317 180 V HA -0.281 3.839 4.120 0.000 0.000 0.251 180 V C 1.980 178.080 176.094 0.009 0.000 1.065 180 V CA 2.017 64.320 62.300 0.005 0.000 1.049 180 V CB -0.593 31.232 31.823 0.004 0.000 0.651 180 V HN 0.669 nan 8.190 nan 0.000 0.450 181 E N -0.755 119.451 120.200 0.010 0.000 2.516 181 E HA -0.187 4.163 4.350 0.000 0.000 0.199 181 E C 2.090 178.705 176.600 0.026 0.000 1.069 181 E CA 0.430 56.841 56.400 0.020 0.000 0.876 181 E CB 0.014 29.723 29.700 0.016 0.000 0.843 181 E HN 0.692 nan 8.360 nan 0.000 0.530 182 Q N 0.433 120.239 119.800 0.011 0.000 2.226 182 Q HA -0.006 4.334 4.340 0.000 0.000 0.199 182 Q C 2.078 178.089 176.000 0.017 0.000 0.945 182 Q CA 0.372 56.174 55.803 -0.002 0.000 0.861 182 Q CB 0.310 29.039 28.738 -0.015 0.000 0.953 182 Q HN 0.265 nan 8.270 nan 0.000 0.490 183 I N 0.616 121.194 120.570 0.013 0.000 2.286 183 I HA -0.233 3.937 4.170 0.000 0.000 0.245 183 I C 2.729 178.850 176.117 0.006 0.000 1.104 183 I CA 0.778 62.082 61.300 0.007 0.000 1.397 183 I CB -0.343 37.657 38.000 -0.001 0.000 1.072 183 I HN 0.204 nan 8.210 nan 0.000 0.417 184 R N 0.527 121.035 120.500 0.013 0.000 2.091 184 R HA -0.257 4.083 4.340 0.000 0.000 0.238 184 R C 2.455 178.759 176.300 0.006 0.000 1.136 184 R CA 1.789 57.889 56.100 -0.000 0.000 0.959 184 R CB -0.720 29.585 30.300 0.010 0.000 0.856 184 R HN 0.449 nan 8.270 nan 0.000 0.437 185 H N 0.223 119.264 119.070 -0.049 0.000 2.421 185 H HA -0.125 4.431 4.556 0.000 0.000 0.298 185 H C 1.651 176.931 175.328 -0.079 0.000 1.087 185 H CA 1.901 57.917 56.048 -0.052 0.000 1.330 185 H CB 0.281 30.017 29.762 -0.044 0.000 1.388 185 H HN 0.234 nan 8.280 nan 0.000 0.526 186 Q N 0.327 120.186 119.800 0.098 0.000 2.269 186 Q HA 0.055 4.395 4.340 0.000 0.000 0.201 186 Q C 2.567 178.494 176.000 -0.122 0.000 0.946 186 Q CA 0.579 56.385 55.803 0.005 0.000 0.877 186 Q CB -0.055 28.685 28.738 0.004 0.000 0.963 186 Q HN 0.480 nan 8.270 nan 0.000 0.472 187 L N -0.090 121.057 121.223 -0.128 0.000 2.072 187 L HA -0.086 4.254 4.340 0.000 0.000 0.205 187 L C 2.355 179.039 176.870 -0.310 0.000 1.079 187 L CA 1.440 56.165 54.840 -0.191 0.000 0.752 187 L CB -0.375 41.596 42.059 -0.146 0.000 0.906 187 L HN 0.366 nan 8.230 nan 0.000 0.436 188 E N -0.588 119.434 120.200 -0.296 0.000 2.130 188 E HA -0.313 4.037 4.350 0.000 0.000 0.196 188 E C 2.201 178.593 176.600 -0.348 0.000 0.998 188 E CA 1.371 57.558 56.400 -0.355 0.000 0.806 188 E CB -0.036 29.525 29.700 -0.232 0.000 0.738 188 E HN 0.468 nan 8.360 nan 0.000 0.459 189 H N 0.165 118.954 119.070 -0.467 0.000 2.333 189 H HA -0.037 4.519 4.556 0.000 0.000 0.302 189 H C 2.264 177.072 175.328 -0.867 0.000 1.075 189 H CA 1.511 57.219 56.048 -0.566 0.000 1.348 189 H CB -0.001 29.443 29.762 -0.529 0.000 1.393 189 H HN 0.230 nan 8.280 nan 0.000 0.509 190 I N 0.788 120.851 120.570 -0.845 0.000 2.163 190 I HA -0.316 3.854 4.170 0.000 0.000 0.243 190 I C 2.615 178.439 176.117 -0.488 0.000 1.085 190 I CA 0.918 61.501 61.300 -1.196 0.000 1.347 190 I CB -0.204 37.427 38.000 -0.615 0.000 1.044 190 I HN 0.203 nan 8.210 nan 0.000 0.408 191 L N 0.228 121.250 121.223 -0.334 0.000 2.046 191 L HA -0.231 4.109 4.340 0.000 0.000 0.208 191 L C 2.285 179.131 176.870 -0.041 0.000 1.077 191 L CA 1.212 55.960 54.840 -0.154 0.000 0.747 191 L CB -0.831 41.055 42.059 -0.288 0.000 0.896 191 L HN 0.316 nan 8.230 nan 0.000 0.432 192 N N 0.228 118.847 118.700 -0.135 0.000 2.120 192 N HA -0.236 4.504 4.740 0.000 0.000 0.188 192 N C 1.774 177.307 175.510 0.038 0.000 1.024 192 N CA 1.308 54.312 53.050 -0.077 0.000 0.852 192 N CB -0.186 38.193 38.487 -0.181 0.000 1.003 192 N HN 0.377 nan 8.380 nan 0.000 0.424 193 E N 0.409 120.651 120.200 0.070 0.000 2.409 193 E HA -0.092 4.258 4.350 0.000 0.000 0.198 193 E C 0.660 177.556 176.600 0.493 0.000 1.024 193 E CA 0.739 57.432 56.400 0.488 0.000 0.861 193 E CB 0.246 30.981 29.700 1.726 0.000 0.788 193 E HN 0.216 nan 8.360 nan 0.000 0.521 194 E N -0.385 120.047 120.200 0.388 0.000 2.476 194 E HA 0.017 4.367 4.350 0.000 0.000 0.199 194 E C -0.428 176.347 176.600 0.292 0.000 1.021 194 E CA 0.089 56.656 56.400 0.277 0.000 0.907 194 E CB 0.152 29.985 29.700 0.222 0.000 0.974 194 E HN 0.399 nan 8.360 nan 0.000 0.489 195 H N -0.015 119.096 119.070 0.068 0.000 2.770 195 H HA -0.160 4.396 4.556 0.000 0.000 0.309 195 H C -0.214 175.143 175.328 0.049 0.000 1.206 195 H CA 0.234 56.311 56.048 0.048 0.000 1.147 195 H CB -1.852 27.932 29.762 0.037 0.000 1.422 195 H HN 0.149 nan 8.280 nan 0.000 0.420 196 I N 0.993 121.660 120.570 0.161 0.000 2.339 196 I HA 0.399 4.569 4.170 0.000 0.000 0.290 196 I C 1.005 177.210 176.117 0.146 0.000 0.994 196 I CA -0.428 60.944 61.300 0.120 0.000 1.191 196 I CB 1.468 39.522 38.000 0.090 0.000 1.343 196 I HN 0.276 nan 8.210 nan 0.000 0.458 197 A N 7.390 130.268 122.820 0.096 0.000 2.531 197 A HA 0.232 4.552 4.320 0.000 0.000 0.236 197 A C -0.113 177.546 177.584 0.125 0.000 1.062 197 A CA 0.487 52.559 52.037 0.059 0.000 0.760 197 A CB -0.101 18.907 19.000 0.013 0.000 0.995 197 A HN 0.906 nan 8.150 nan 0.000 0.501 198 H N 0.223 119.275 119.070 -0.030 0.000 3.112 198 H HA 0.449 5.005 4.556 0.000 0.000 0.347 198 H C -1.557 173.751 175.328 -0.034 0.000 1.188 198 H CA -0.784 55.245 56.048 -0.031 0.000 1.240 198 H CB 0.592 30.330 29.762 -0.039 0.000 1.920 198 H HN 0.644 nan 8.280 nan 0.000 0.535 199 E N 3.462 123.689 120.200 0.045 0.000 2.197 199 E HA 0.192 4.543 4.350 0.000 0.000 0.281 199 E C -1.936 174.703 176.600 0.066 0.000 0.995 199 E CA -2.031 54.369 56.400 -0.000 0.000 0.808 199 E CB 2.027 31.727 29.700 0.001 0.000 1.093 199 E HN 0.370 nan 8.360 nan 0.000 0.394 200 P HA -0.217 nan 4.420 nan 0.000 0.217 200 P C 0.879 178.201 177.300 0.037 0.000 1.151 200 P CA 1.406 64.539 63.100 0.055 0.000 0.849 200 P CB 0.213 31.924 31.700 0.018 0.000 0.787 201 R N -0.801 119.712 120.500 0.022 0.000 2.090 201 R HA 0.019 4.359 4.340 0.000 0.000 0.228 201 R C 2.329 178.639 176.300 0.016 0.000 1.110 201 R CA 1.254 57.362 56.100 0.014 0.000 0.973 201 R CB -0.977 29.327 30.300 0.007 0.000 0.869 201 R HN 0.148 nan 8.270 nan 0.000 0.440 202 A N 1.551 124.386 122.820 0.026 0.000 1.908 202 A HA -0.145 4.175 4.320 0.000 0.000 0.218 202 A C 2.153 179.745 177.584 0.013 0.000 1.181 202 A CA 1.267 53.318 52.037 0.023 0.000 0.627 202 A CB -0.590 18.433 19.000 0.038 0.000 0.818 202 A HN 0.181 nan 8.150 nan 0.000 0.445 203 L N -1.444 119.788 121.223 0.016 0.000 2.201 203 L HA -0.188 4.152 4.340 0.000 0.000 0.212 203 L C 2.784 179.647 176.870 -0.011 0.000 1.105 203 L CA 1.496 56.327 54.840 -0.016 0.000 0.775 203 L CB -0.510 41.525 42.059 -0.041 0.000 0.913 203 L HN 0.421 nan 8.230 nan 0.000 0.440 204 Q N 0.589 120.389 119.800 0.001 0.000 2.083 204 Q HA -0.090 4.250 4.340 0.000 0.000 0.198 204 Q C 2.196 178.196 176.000 -0.001 0.000 0.969 204 Q CA 1.279 57.082 55.803 0.001 0.000 0.838 204 Q CB -0.146 28.595 28.738 0.005 0.000 0.900 204 Q HN 0.453 nan 8.270 nan 0.000 0.436 205 L N -0.211 121.012 121.223 -0.001 0.000 2.450 205 L HA -0.134 4.206 4.340 0.000 0.000 0.224 205 L C 1.781 178.649 176.870 -0.005 0.000 1.149 205 L CA 0.569 55.407 54.840 -0.002 0.000 0.816 205 L CB -0.286 41.773 42.059 -0.001 0.000 0.932 205 L HN 0.254 nan 8.230 nan 0.000 0.449 206 L N -0.994 120.225 121.223 -0.007 0.000 2.269 206 L HA 0.090 4.430 4.340 0.000 0.000 0.200 206 L C 2.828 179.693 176.870 -0.009 0.000 1.069 206 L CA 0.702 55.537 54.840 -0.010 0.000 0.804 206 L CB -0.474 41.575 42.059 -0.016 0.000 0.987 206 L HN 0.130 nan 8.230 nan 0.000 0.468 207 A N 0.476 123.290 122.820 -0.010 0.000 1.940 207 A HA -0.281 4.039 4.320 0.000 0.000 0.219 207 A C 2.288 179.870 177.584 -0.003 0.000 1.176 207 A CA 2.154 54.187 52.037 -0.007 0.000 0.631 207 A CB -0.496 18.501 19.000 -0.005 0.000 0.814 207 A HN 0.303 nan 8.150 nan 0.000 0.446 208 R N -0.007 120.492 120.500 -0.003 0.000 2.062 208 R HA -0.002 4.338 4.340 0.000 0.000 0.231 208 R C 2.247 178.546 176.300 -0.002 0.000 1.136 208 R CA 1.967 58.067 56.100 -0.001 0.000 0.948 208 R CB -0.931 29.368 30.300 -0.002 0.000 0.845 208 R HN 0.373 nan 8.270 nan 0.000 0.430 209 A N 1.006 123.825 122.820 -0.003 0.000 1.859 209 A HA -0.026 4.295 4.320 0.000 0.000 0.218 209 A C 1.308 178.891 177.584 -0.001 0.000 1.209 209 A CA 1.567 53.602 52.037 -0.003 0.000 0.639 209 A CB -1.497 17.500 19.000 -0.004 0.000 0.835 209 A HN 0.564 nan 8.150 nan 0.000 0.450 210 A N 0.634 123.453 122.820 -0.001 0.000 2.515 210 A HA 0.343 4.663 4.320 0.000 0.000 0.263 210 A C -0.084 177.502 177.584 0.003 0.000 1.096 210 A CA -0.107 51.931 52.037 0.001 0.000 0.769 210 A CB -0.357 18.643 19.000 0.000 0.000 1.040 210 A HN 0.546 nan 8.150 nan 0.000 0.505 211 E N 2.059 122.262 120.200 0.005 0.000 1.932 211 E HA 0.366 4.717 4.350 0.000 0.000 0.275 211 E C 1.287 177.892 176.600 0.008 0.000 1.159 211 E CA 0.658 57.061 56.400 0.006 0.000 0.905 211 E CB 0.188 29.892 29.700 0.006 0.000 1.059 211 E HN 1.124 nan 8.360 nan 0.000 0.400 212 G N 3.351 112.155 108.800 0.008 0.000 2.196 212 G HA2 -0.358 3.602 3.960 0.000 0.000 0.268 212 G HA3 -0.358 3.602 3.960 0.000 0.000 0.268 212 G C 0.333 175.240 174.900 0.011 0.000 0.975 212 G CA 0.802 45.908 45.100 0.010 0.000 0.648 212 G HN 0.619 nan 8.290 nan 0.000 0.538 213 S N -0.837 114.869 115.700 0.010 0.000 2.500 213 S HA 0.724 5.194 4.470 0.000 0.000 0.301 213 S C 0.883 175.487 174.600 0.007 0.000 1.092 213 S CA -0.245 57.961 58.200 0.011 0.000 1.030 213 S CB 2.325 65.534 63.200 0.014 0.000 1.031 213 S HN 0.550 nan 8.310 nan 0.000 0.483 214 L N 2.543 123.770 121.223 0.006 0.000 1.994 214 L HA 0.125 4.465 4.340 0.000 0.000 0.208 214 L C 2.729 179.604 176.870 0.008 0.000 1.071 214 L CA 1.828 56.671 54.840 0.005 0.000 0.745 214 L CB -1.134 40.928 42.059 0.005 0.000 0.892 214 L HN 0.952 nan 8.230 nan 0.000 0.431 215 R N 0.118 120.625 120.500 0.010 0.000 2.165 215 R HA -0.234 4.106 4.340 0.000 0.000 0.254 215 R C 1.896 178.203 176.300 0.012 0.000 1.153 215 R CA 2.246 58.354 56.100 0.012 0.000 0.971 215 R CB -0.750 29.558 30.300 0.013 0.000 0.878 215 R HN 0.477 nan 8.270 nan 0.000 0.449 216 D N -0.855 119.551 120.400 0.010 0.000 2.137 216 D HA 0.015 4.655 4.640 0.000 0.000 0.202 216 D C 1.740 178.043 176.300 0.005 0.000 0.970 216 D CA 1.451 55.456 54.000 0.008 0.000 0.837 216 D CB -0.425 40.380 40.800 0.009 0.000 0.981 216 D HN 0.348 nan 8.370 nan 0.000 0.475 217 A N 1.306 124.127 122.820 0.002 0.000 1.892 217 A HA -0.188 4.132 4.320 0.000 0.000 0.218 217 A C 2.409 179.990 177.584 -0.004 0.000 1.188 217 A CA 1.205 53.240 52.037 -0.004 0.000 0.631 217 A CB -0.959 18.035 19.000 -0.010 0.000 0.822 217 A HN 0.218 nan 8.150 nan 0.000 0.447 218 L N 0.323 121.547 121.223 0.002 0.000 2.012 218 L HA -0.229 4.111 4.340 0.000 0.000 0.210 218 L C 2.979 179.855 176.870 0.010 0.000 1.073 218 L CA 1.836 56.682 54.840 0.009 0.000 0.748 218 L CB -0.723 41.350 42.059 0.023 0.000 0.891 218 L HN 0.588 nan 8.230 nan 0.000 0.431 219 S N -0.286 115.420 115.700 0.010 0.000 2.402 219 S HA -0.101 4.369 4.470 0.000 0.000 0.229 219 S C 1.950 176.554 174.600 0.006 0.000 1.021 219 S CA 0.752 58.958 58.200 0.010 0.000 0.974 219 S CB -0.538 62.668 63.200 0.010 0.000 0.800 219 S HN 0.313 nan 8.310 nan 0.000 0.484 220 L N 1.348 122.573 121.223 0.003 0.000 2.093 220 L HA -0.072 4.268 4.340 0.000 0.000 0.208 220 L C 2.751 179.621 176.870 -0.001 0.000 1.085 220 L CA 1.459 56.299 54.840 0.001 0.000 0.755 220 L CB -0.909 41.149 42.059 -0.002 0.000 0.904 220 L HN 0.366 nan 8.230 nan 0.000 0.435 221 T N -1.632 112.919 114.554 -0.004 0.000 2.904 221 T HA -0.157 4.193 4.350 0.000 0.000 0.267 221 T C 1.449 176.150 174.700 0.002 0.000 1.059 221 T CA 1.012 63.108 62.100 -0.007 0.000 1.137 221 T CB -0.183 68.674 68.868 -0.018 0.000 0.879 221 T HN 0.289 nan 8.240 nan 0.000 0.467 222 D N 1.335 121.740 120.400 0.007 0.000 2.144 222 D HA -0.073 4.567 4.640 0.000 0.000 0.199 222 D C 2.323 178.629 176.300 0.010 0.000 0.984 222 D CA 1.024 55.031 54.000 0.012 0.000 0.834 222 D CB -0.023 40.785 40.800 0.014 0.000 0.955 222 D HN 0.508 nan 8.370 nan 0.000 0.465 223 Q N 0.254 120.058 119.800 0.007 0.000 2.083 223 Q HA -0.007 4.333 4.340 0.000 0.000 0.198 223 Q C 2.280 178.284 176.000 0.006 0.000 0.969 223 Q CA 0.979 56.786 55.803 0.006 0.000 0.838 223 Q CB -0.033 28.707 28.738 0.004 0.000 0.900 223 Q HN 0.153 nan 8.270 nan 0.000 0.436 224 A N 1.200 124.023 122.820 0.005 0.000 1.908 224 A HA -0.202 4.118 4.320 0.000 0.000 0.218 224 A C 2.049 179.639 177.584 0.009 0.000 1.181 224 A CA 1.215 53.255 52.037 0.005 0.000 0.627 224 A CB -0.685 18.317 19.000 0.003 0.000 0.818 224 A HN 0.287 nan 8.150 nan 0.000 0.445 225 I N -0.322 120.255 120.570 0.011 0.000 2.113 225 I HA -0.303 3.867 4.170 0.000 0.000 0.238 225 I C 2.977 179.102 176.117 0.013 0.000 1.070 225 I CA 1.221 62.530 61.300 0.015 0.000 1.332 225 I CB -0.392 37.619 38.000 0.018 0.000 1.044 225 I HN 0.353 nan 8.210 nan 0.000 0.402 226 A N 0.396 123.223 122.820 0.011 0.000 2.032 226 A HA -0.232 4.088 4.320 0.000 0.000 0.221 226 A C 2.384 179.973 177.584 0.008 0.000 1.165 226 A CA 2.359 54.401 52.037 0.009 0.000 0.645 226 A CB -0.690 18.315 19.000 0.008 0.000 0.807 226 A HN 0.585 nan 8.150 nan 0.000 0.453 227 S N -1.893 113.812 115.700 0.007 0.000 2.470 227 S HA 0.229 4.699 4.470 0.000 0.000 0.222 227 S C 1.664 176.268 174.600 0.007 0.000 1.024 227 S CA 0.720 58.924 58.200 0.006 0.000 0.931 227 S CB -0.296 62.907 63.200 0.004 0.000 0.791 227 S HN 0.608 nan 8.310 nan 0.000 0.513 228 G N 0.814 109.619 108.800 0.009 0.000 3.141 228 G HA2 0.164 4.124 3.960 0.000 0.000 0.218 228 G HA3 0.164 4.124 3.960 0.000 0.000 0.218 228 G C -0.041 174.865 174.900 0.011 0.000 1.170 228 G CA 0.020 45.126 45.100 0.010 0.000 0.769 228 G HN 0.413 nan 8.290 nan 0.000 0.546 229 D N -0.261 120.145 120.400 0.011 0.000 3.003 229 D HA -0.109 4.531 4.640 0.000 0.000 0.223 229 D C 1.509 177.818 176.300 0.014 0.000 1.204 229 D CA 1.693 55.700 54.000 0.011 0.000 0.828 229 D CB -1.195 39.610 40.800 0.009 0.000 0.918 229 D HN 0.854 nan 8.370 nan 0.000 0.401 230 G N 1.638 110.449 108.800 0.018 0.000 2.475 230 G HA2 -0.286 3.674 3.960 0.000 0.000 0.209 230 G HA3 -0.286 3.674 3.960 0.000 0.000 0.209 230 G C 0.305 175.222 174.900 0.029 0.000 1.127 230 G CA 0.377 45.491 45.100 0.023 0.000 0.681 230 G HN 0.611 nan 8.290 nan 0.000 0.517 231 Q N -0.213 119.602 119.800 0.025 0.000 2.193 231 Q HA 0.680 5.020 4.340 0.000 0.000 0.246 231 Q C -0.527 175.493 176.000 0.033 0.000 0.959 231 Q CA -0.647 55.174 55.803 0.031 0.000 0.904 231 Q CB 2.742 31.492 28.738 0.021 0.000 1.238 231 Q HN 0.252 nan 8.270 nan 0.000 0.469 232 V N 1.873 121.815 119.914 0.047 0.000 2.276 232 V HA 0.247 4.367 4.120 0.000 0.000 0.268 232 V C -0.540 175.583 176.094 0.048 0.000 1.032 232 V CA -0.468 61.859 62.300 0.045 0.000 0.810 232 V CB 0.565 32.420 31.823 0.053 0.000 1.060 232 V HN 0.795 nan 8.190 nan 0.000 0.446 233 S N 1.896 117.612 115.700 0.027 0.000 2.593 233 S HA 0.346 4.816 4.470 0.000 0.000 0.297 233 S C 1.122 175.730 174.600 0.014 0.000 1.112 233 S CA -0.148 58.062 58.200 0.018 0.000 1.043 233 S CB 1.790 64.996 63.200 0.009 0.000 1.054 233 S HN 0.483 nan 8.310 nan 0.000 0.516 234 T N 2.519 117.079 114.554 0.010 0.000 2.803 234 T HA -0.166 4.184 4.350 0.000 0.000 0.269 234 T C 1.751 176.453 174.700 0.003 0.000 1.052 234 T CA 2.010 64.114 62.100 0.006 0.000 1.136 234 T CB -0.391 68.479 68.868 0.004 0.000 0.864 234 T HN 0.753 nan 8.240 nan 0.000 0.467 235 Q N 0.812 120.613 119.800 0.002 0.000 2.046 235 Q HA 0.071 4.411 4.340 0.000 0.000 0.200 235 Q C 2.791 178.792 176.000 0.001 0.000 0.975 235 Q CA 1.376 57.179 55.803 0.000 0.000 0.836 235 Q CB -0.333 28.405 28.738 -0.000 0.000 0.896 235 Q HN 0.551 nan 8.270 nan 0.000 0.428 236 A N 0.505 123.327 122.820 0.003 0.000 1.969 236 A HA -0.099 4.222 4.320 0.000 0.000 0.218 236 A C 2.293 179.878 177.584 0.002 0.000 1.169 236 A CA 1.120 53.159 52.037 0.003 0.000 0.635 236 A CB -0.464 18.540 19.000 0.006 0.000 0.810 236 A HN 0.208 nan 8.150 nan 0.000 0.445 237 V N 0.730 120.646 119.914 0.003 0.000 2.719 237 V HA -0.131 3.989 4.120 0.000 0.000 0.252 237 V C 2.563 178.655 176.094 -0.002 0.000 1.065 237 V CA 1.975 64.275 62.300 0.001 0.000 1.086 237 V CB -0.397 31.428 31.823 0.004 0.000 0.700 237 V HN 0.765 nan 8.190 nan 0.000 0.467 238 S N 0.177 115.876 115.700 -0.002 0.000 2.593 238 S HA 0.233 4.703 4.470 0.000 0.000 0.217 238 S C 1.738 176.334 174.600 -0.007 0.000 0.966 238 S CA 0.589 58.785 58.200 -0.006 0.000 0.914 238 S CB 0.248 63.445 63.200 -0.006 0.000 0.776 238 S HN 0.463 nan 8.310 nan 0.000 0.523 239 A N 2.127 124.944 122.820 -0.005 0.000 2.021 239 A HA 0.271 4.591 4.320 0.000 0.000 0.216 239 A C 2.122 179.701 177.584 -0.007 0.000 1.163 239 A CA 1.096 53.130 52.037 -0.006 0.000 0.676 239 A CB -0.458 18.540 19.000 -0.003 0.000 0.818 239 A HN 0.726 nan 8.150 nan 0.000 0.453 240 M N -1.767 117.829 119.600 -0.007 0.000 2.925 240 M HA 0.377 4.857 4.480 0.000 0.000 0.249 240 M C -0.099 176.194 176.300 -0.010 0.000 1.439 240 M CA 0.336 55.632 55.300 -0.008 0.000 1.217 240 M CB -0.180 32.417 32.600 -0.005 0.000 1.245 240 M HN -0.027 nan 8.290 nan 0.000 0.552 241 L N 2.285 123.503 121.223 -0.009 0.000 2.302 241 L HA 0.504 4.844 4.340 0.000 0.000 0.285 241 L C 0.701 177.563 176.870 -0.012 0.000 1.090 241 L CA -0.556 54.278 54.840 -0.010 0.000 0.866 241 L CB 0.456 42.510 42.059 -0.007 0.000 1.244 241 L HN 0.397 nan 8.230 nan 0.000 0.435 242 G N 1.949 110.739 108.800 -0.017 0.000 2.478 242 G HA2 0.547 4.507 3.960 0.000 0.000 0.211 242 G HA3 0.547 4.507 3.960 0.000 0.000 0.211 242 G C -0.050 174.834 174.900 -0.027 0.000 1.726 242 G CA 0.390 45.477 45.100 -0.022 0.000 0.725 242 G HN 0.475 nan 8.290 nan 0.000 0.654 243 T N -1.100 113.434 114.554 -0.033 0.000 2.831 243 T HA 0.416 4.766 4.350 0.000 0.000 0.333 243 T C -0.059 174.618 174.700 -0.038 0.000 1.684 243 T CA -0.639 61.441 62.100 -0.034 0.000 1.049 243 T CB 1.364 70.211 68.868 -0.036 0.000 1.518 243 T HN 0.054 nan 8.240 nan 0.000 0.491 244 L N -0.183 121.022 121.223 -0.030 0.000 2.953 244 L HA 0.184 4.524 4.340 0.000 0.000 0.258 244 L C 1.212 178.069 176.870 -0.022 0.000 1.100 244 L CA 0.105 54.930 54.840 -0.026 0.000 0.971 244 L CB 0.242 42.291 42.059 -0.017 0.000 1.474 244 L HN 0.609 nan 8.230 nan 0.000 0.540 245 D N 0.989 121.377 120.400 -0.019 0.000 2.117 245 D HA -0.171 4.470 4.640 0.000 0.000 0.197 245 D C 1.195 177.485 176.300 -0.017 0.000 0.987 245 D CA 1.317 55.308 54.000 -0.015 0.000 0.829 245 D CB 0.014 40.806 40.800 -0.012 0.000 0.961 245 D HN 0.253 nan 8.370 nan 0.000 0.460 246 D N 1.007 121.392 120.400 -0.024 0.000 2.378 246 D HA -0.070 4.570 4.640 0.000 0.000 0.222 246 D C -0.150 176.131 176.300 -0.032 0.000 0.980 246 D CA 0.588 54.571 54.000 -0.028 0.000 0.907 246 D CB -0.219 40.558 40.800 -0.038 0.000 0.899 246 D HN 0.190 nan 8.370 nan 0.000 0.527 247 D N 1.569 121.949 120.400 -0.032 0.000 2.352 247 D HA 0.043 4.683 4.640 0.000 0.000 0.245 247 D C 1.255 177.548 176.300 -0.012 0.000 1.224 247 D CA -0.040 53.941 54.000 -0.031 0.000 0.879 247 D CB 0.939 41.718 40.800 -0.034 0.000 1.057 247 D HN -0.045 nan 8.370 nan 0.000 0.491 248 Q N 1.530 121.327 119.800 -0.004 0.000 2.466 248 Q HA 0.028 4.368 4.340 0.000 0.000 0.210 248 Q C 1.680 177.689 176.000 0.015 0.000 0.961 248 Q CA -0.063 55.746 55.803 0.010 0.000 0.953 248 Q CB 0.032 28.784 28.738 0.023 0.000 1.011 248 Q HN 0.539 nan 8.270 nan 0.000 0.516 249 A N 0.740 123.566 122.820 0.010 0.000 2.067 249 A HA -0.217 4.104 4.320 0.000 0.000 0.224 249 A C 1.928 179.524 177.584 0.021 0.000 1.172 249 A CA 1.685 53.732 52.037 0.018 0.000 0.662 249 A CB -0.246 18.761 19.000 0.012 0.000 0.814 249 A HN 0.382 nan 8.150 nan 0.000 0.468 250 L N -1.276 119.956 121.223 0.014 0.000 2.577 250 L HA 0.136 4.476 4.340 0.000 0.000 0.225 250 L C 2.254 179.128 176.870 0.008 0.000 1.053 250 L CA 1.591 56.439 54.840 0.013 0.000 0.866 250 L CB 0.071 42.136 42.059 0.012 0.000 1.132 250 L HN 0.292 nan 8.230 nan 0.000 0.486 251 S N -1.010 114.695 115.700 0.008 0.000 2.561 251 S HA -0.018 4.452 4.470 0.000 0.000 0.225 251 S C 1.744 176.349 174.600 0.009 0.000 0.977 251 S CA 0.633 58.838 58.200 0.007 0.000 0.926 251 S CB -0.331 62.873 63.200 0.008 0.000 0.769 251 S HN 0.427 nan 8.310 nan 0.000 0.533 252 L N 0.852 122.083 121.223 0.014 0.000 2.168 252 L HA 0.107 4.447 4.340 0.000 0.000 0.203 252 L C 2.212 179.082 176.870 0.000 0.000 1.078 252 L CA 0.570 55.422 54.840 0.020 0.000 0.780 252 L CB -0.083 41.999 42.059 0.038 0.000 0.939 252 L HN 0.185 nan 8.230 nan 0.000 0.451 253 V N -0.091 119.818 119.914 -0.008 0.000 2.358 253 V HA -0.235 3.885 4.120 0.000 0.000 0.246 253 V C 2.292 178.347 176.094 -0.064 0.000 1.047 253 V CA 1.657 63.931 62.300 -0.043 0.000 1.035 253 V CB -0.438 31.372 31.823 -0.022 0.000 0.658 253 V HN 0.441 nan 8.190 nan 0.000 0.452 254 E N 0.593 120.774 120.200 -0.031 0.000 2.023 254 E HA -0.244 4.106 4.350 0.000 0.000 0.196 254 E C 2.376 178.962 176.600 -0.022 0.000 1.003 254 E CA 1.461 57.846 56.400 -0.025 0.000 0.809 254 E CB -0.394 29.302 29.700 -0.007 0.000 0.755 254 E HN 0.562 nan 8.360 nan 0.000 0.449 255 A N 1.601 124.415 122.820 -0.010 0.000 1.986 255 A HA -0.244 4.076 4.320 0.000 0.000 0.220 255 A C 2.107 179.692 177.584 0.002 0.000 1.171 255 A CA 1.696 53.733 52.037 0.000 0.000 0.640 255 A CB -0.575 18.430 19.000 0.009 0.000 0.811 255 A HN 0.292 nan 8.150 nan 0.000 0.451 256 M N -0.103 119.481 119.600 -0.026 0.000 2.062 256 M HA -0.117 4.363 4.480 0.000 0.000 0.259 256 M C 1.852 178.130 176.300 -0.035 0.000 1.076 256 M CA 2.388 57.661 55.300 -0.046 0.000 1.122 256 M CB -0.352 32.170 32.600 -0.130 0.000 1.312 256 M HN 0.199 nan 8.290 nan 0.000 0.412 257 V N 0.979 120.777 119.914 -0.193 0.000 2.867 257 V HA -0.207 3.913 4.120 0.000 0.000 0.260 257 V C 1.716 177.911 176.094 0.169 0.000 1.099 257 V CA 1.723 63.929 62.300 -0.156 0.000 1.122 257 V CB -1.173 30.477 31.823 -0.289 0.000 0.708 257 V HN 0.548 nan 8.190 nan 0.000 0.490 258 E N 0.101 120.348 120.200 0.077 0.000 2.442 258 E HA 0.306 4.657 4.350 0.000 0.000 0.195 258 E C 1.573 178.169 176.600 -0.005 0.000 1.030 258 E CA 0.592 57.016 56.400 0.040 0.000 0.869 258 E CB 0.033 29.741 29.700 0.012 0.000 0.857 258 E HN 0.516 nan 8.360 nan 0.000 0.505 259 A N 1.525 124.356 122.820 0.018 0.000 3.172 259 A HA -0.178 4.142 4.320 0.000 0.000 0.263 259 A C 0.021 177.578 177.584 -0.044 0.000 1.215 259 A CA 0.676 52.665 52.037 -0.081 0.000 1.065 259 A CB -2.036 16.764 19.000 -0.334 0.000 1.148 259 A HN 0.281 nan 8.150 nan 0.000 0.904 260 N N 0.640 119.331 118.700 -0.016 0.000 3.229 260 N HA 0.362 5.102 4.740 0.000 0.000 0.275 260 N C 1.447 176.958 175.510 0.002 0.000 1.225 260 N CA 0.709 53.752 53.050 -0.011 0.000 1.119 260 N CB 0.380 38.862 38.487 -0.008 0.000 1.392 260 N HN 0.612 nan 8.380 nan 0.000 0.520 261 G N 1.405 110.207 108.800 0.003 0.000 2.550 261 G HA2 -0.388 3.572 3.960 0.000 0.000 0.222 261 G HA3 -0.388 3.572 3.960 0.000 0.000 0.222 261 G C 1.424 176.331 174.900 0.011 0.000 1.113 261 G CA 1.233 46.340 45.100 0.012 0.000 0.748 261 G HN 0.493 nan 8.290 nan 0.000 0.585 262 E N 0.724 120.927 120.200 0.005 0.000 2.048 262 E HA -0.231 4.119 4.350 0.000 0.000 0.202 262 E C 2.411 179.018 176.600 0.012 0.000 1.021 262 E CA 1.894 58.298 56.400 0.006 0.000 0.825 262 E CB -0.501 29.201 29.700 0.002 0.000 0.756 262 E HN 0.499 nan 8.360 nan 0.000 0.454 263 R N -0.327 120.180 120.500 0.011 0.000 2.066 263 R HA -0.081 4.259 4.340 0.000 0.000 0.232 263 R C 2.387 178.701 176.300 0.022 0.000 1.131 263 R CA 1.495 57.604 56.100 0.015 0.000 0.955 263 R CB -0.318 29.988 30.300 0.011 0.000 0.851 263 R HN 0.214 nan 8.270 nan 0.000 0.432 264 V N 1.165 121.093 119.914 0.023 0.000 2.380 264 V HA -0.329 3.791 4.120 0.000 0.000 0.251 264 V C 2.399 178.518 176.094 0.041 0.000 1.063 264 V CA 1.682 64.002 62.300 0.032 0.000 1.055 264 V CB -0.387 31.455 31.823 0.032 0.000 0.657 264 V HN 0.375 nan 8.190 nan 0.000 0.455 265 M N -0.388 119.232 119.600 0.033 0.000 2.248 265 M HA 0.079 4.559 4.480 0.000 0.000 0.265 265 M C 2.456 178.783 176.300 0.045 0.000 1.079 265 M CA 1.822 57.144 55.300 0.036 0.000 1.150 265 M CB -1.584 31.029 32.600 0.022 0.000 1.366 265 M HN 0.369 nan 8.290 nan 0.000 0.433 266 A N 0.930 123.772 122.820 0.036 0.000 1.940 266 A HA -0.141 4.179 4.320 0.000 0.000 0.219 266 A C 2.326 179.937 177.584 0.046 0.000 1.176 266 A CA 1.410 53.468 52.037 0.036 0.000 0.631 266 A CB -0.975 18.040 19.000 0.025 0.000 0.814 266 A HN 0.471 nan 8.150 nan 0.000 0.446 267 L N -0.688 120.565 121.223 0.049 0.000 1.994 267 L HA -0.177 4.163 4.340 0.000 0.000 0.208 267 L C 2.522 179.446 176.870 0.089 0.000 1.071 267 L CA 1.435 56.308 54.840 0.055 0.000 0.745 267 L CB -0.671 41.418 42.059 0.050 0.000 0.892 267 L HN 0.347 nan 8.230 nan 0.000 0.431 268 I N 0.327 120.971 120.570 0.123 0.000 2.264 268 I HA -0.309 3.861 4.170 0.000 0.000 0.248 268 I C 2.440 178.705 176.117 0.245 0.000 1.111 268 I CA 1.311 62.745 61.300 0.224 0.000 1.382 268 I CB -0.451 37.660 38.000 0.185 0.000 1.060 268 I HN 0.415 nan 8.210 nan 0.000 0.418 269 N N 1.123 119.909 118.700 0.144 0.000 2.171 269 N HA -0.220 4.520 4.740 0.000 0.000 0.184 269 N C 1.744 177.317 175.510 0.105 0.000 1.021 269 N CA 1.478 54.603 53.050 0.126 0.000 0.854 269 N CB -0.064 38.468 38.487 0.075 0.000 0.994 269 N HN 0.352 nan 8.380 nan 0.000 0.426 270 E N -0.136 120.109 120.200 0.075 0.000 2.038 270 E HA -0.152 4.198 4.350 0.000 0.000 0.195 270 E C 1.796 178.412 176.600 0.026 0.000 1.000 270 E CA 1.332 57.757 56.400 0.042 0.000 0.803 270 E CB -0.226 29.492 29.700 0.030 0.000 0.750 270 E HN 0.429 nan 8.360 nan 0.000 0.448 271 A N 1.131 123.968 122.820 0.030 0.000 1.908 271 A HA -0.182 4.138 4.320 0.000 0.000 0.218 271 A C 2.396 179.915 177.584 -0.108 0.000 1.181 271 A CA 2.051 54.053 52.037 -0.058 0.000 0.627 271 A CB -0.898 18.060 19.000 -0.069 0.000 0.818 271 A HN 0.429 nan 8.150 nan 0.000 0.445 272 A N -0.121 122.735 122.820 0.061 0.000 1.908 272 A HA 0.117 4.437 4.320 0.000 0.000 0.218 272 A C 2.478 180.097 177.584 0.058 0.000 1.181 272 A CA 2.163 54.293 52.037 0.155 0.000 0.627 272 A CB -1.068 18.166 19.000 0.389 0.000 0.818 272 A HN 1.203 nan 8.150 nan 0.000 0.445 273 A N -0.571 122.278 122.820 0.047 0.000 2.076 273 A HA -0.135 4.185 4.320 0.000 0.000 0.220 273 A C 2.087 179.666 177.584 -0.009 0.000 1.160 273 A CA 1.608 53.660 52.037 0.025 0.000 0.653 273 A CB -0.356 18.658 19.000 0.024 0.000 0.801 273 A HN 0.550 nan 8.150 nan 0.000 0.455 274 R N -1.487 118.987 120.500 -0.042 0.000 2.317 274 R HA 0.283 4.623 4.340 0.000 0.000 0.208 274 R C 1.016 177.259 176.300 -0.094 0.000 0.914 274 R CA 0.566 56.627 56.100 -0.065 0.000 1.060 274 R CB 0.093 30.348 30.300 -0.075 0.000 1.015 274 R HN 0.611 nan 8.270 nan 0.000 0.498 275 G N 1.824 110.557 108.800 -0.111 0.000 2.289 275 G HA2 -0.253 3.707 3.960 0.000 0.000 0.280 275 G HA3 -0.253 3.707 3.960 0.000 0.000 0.280 275 G C 0.094 174.856 174.900 -0.230 0.000 1.089 275 G CA -0.273 44.750 45.100 -0.129 0.000 0.939 275 G HN 0.202 nan 8.290 nan 0.000 0.499 276 I N -0.461 119.853 120.570 -0.428 0.000 2.938 276 I HA 0.140 4.310 4.170 0.000 0.000 0.285 276 I C 0.931 176.718 176.117 -0.549 0.000 1.182 276 I CA 0.144 61.122 61.300 -0.536 0.000 1.388 276 I CB 0.551 38.077 38.000 -0.789 0.000 1.390 276 I HN 0.213 nan 8.210 nan 0.000 0.600 277 E N 3.794 123.789 120.200 -0.342 0.000 1.998 277 E HA 0.044 4.394 4.350 0.000 0.000 0.257 277 E C -0.010 176.516 176.600 -0.122 0.000 1.038 277 E CA -0.161 56.134 56.400 -0.176 0.000 0.869 277 E CB 0.356 30.007 29.700 -0.083 0.000 1.135 277 E HN 0.521 nan 8.360 nan 0.000 0.430 278 W N 1.816 123.112 121.300 -0.007 0.000 2.255 278 W HA -0.321 4.339 4.660 0.000 0.000 0.318 278 W C 2.156 178.669 176.519 -0.009 0.000 1.277 278 W CA 1.512 58.853 57.345 -0.007 0.000 1.286 278 W CB -0.067 29.389 29.460 -0.007 0.000 1.132 278 W HN 0.566 nan 8.180 nan 0.000 0.504 279 E N 0.049 120.363 120.200 0.190 0.000 2.152 279 E HA -0.140 4.210 4.350 0.000 0.000 0.192 279 E C 2.259 178.896 176.600 0.063 0.000 0.983 279 E CA 1.127 57.591 56.400 0.107 0.000 0.818 279 E CB -0.262 29.476 29.700 0.063 0.000 0.758 279 E HN 0.192 nan 8.360 nan 0.000 0.467 280 A N 1.089 123.929 122.820 0.035 0.000 1.902 280 A HA -0.158 4.162 4.320 0.000 0.000 0.217 280 A C 2.125 179.719 177.584 0.016 0.000 1.181 280 A CA 1.244 53.287 52.037 0.010 0.000 0.623 280 A CB -0.667 18.321 19.000 -0.020 0.000 0.818 280 A HN 0.402 nan 8.150 nan 0.000 0.443 281 L N -0.387 120.847 121.223 0.019 0.000 2.079 281 L HA -0.085 4.255 4.340 0.000 0.000 0.210 281 L C 2.105 179.014 176.870 0.065 0.000 1.081 281 L CA 1.642 56.502 54.840 0.034 0.000 0.752 281 L CB -0.484 41.604 42.059 0.049 0.000 0.896 281 L HN 0.392 nan 8.230 nan 0.000 0.433 282 L N -1.919 119.353 121.223 0.081 0.000 2.291 282 L HA -0.109 4.231 4.340 0.000 0.000 0.214 282 L C 2.194 179.086 176.870 0.038 0.000 1.120 282 L CA 0.245 55.123 54.840 0.062 0.000 0.799 282 L CB -0.131 41.964 42.059 0.060 0.000 0.925 282 L HN 0.130 nan 8.230 nan 0.000 0.446 283 V N -0.621 119.315 119.914 0.036 0.000 2.407 283 V HA -0.188 3.932 4.120 0.000 0.000 0.245 283 V C 2.242 178.363 176.094 0.045 0.000 1.041 283 V CA 1.375 63.694 62.300 0.033 0.000 1.040 283 V CB -0.229 31.609 31.823 0.025 0.000 0.671 283 V HN 0.405 nan 8.190 nan 0.000 0.455 284 E N -0.221 120.003 120.200 0.039 0.000 2.118 284 E HA -0.229 4.121 4.350 0.000 0.000 0.195 284 E C 2.229 178.863 176.600 0.058 0.000 0.992 284 E CA 1.479 57.904 56.400 0.042 0.000 0.804 284 E CB -0.162 29.553 29.700 0.026 0.000 0.741 284 E HN 0.538 nan 8.360 nan 0.000 0.458 285 M N 0.145 119.780 119.600 0.059 0.000 2.156 285 M HA -0.103 4.377 4.480 0.000 0.000 0.264 285 M C 2.298 178.660 176.300 0.103 0.000 1.067 285 M CA 1.088 56.430 55.300 0.069 0.000 1.131 285 M CB -0.124 32.511 32.600 0.058 0.000 1.368 285 M HN 0.127 nan 8.290 nan 0.000 0.416 286 L N -0.542 120.738 121.223 0.094 0.000 2.217 286 L HA -0.050 4.291 4.340 0.000 0.000 0.211 286 L C 2.433 179.461 176.870 0.262 0.000 1.107 286 L CA 0.866 55.795 54.840 0.148 0.000 0.783 286 L CB -0.729 41.340 42.059 0.017 0.000 0.919 286 L HN 0.385 nan 8.230 nan 0.000 0.442 287 G N -0.855 108.046 108.800 0.169 0.000 2.683 287 G HA2 -0.005 3.955 3.960 0.000 0.000 0.213 287 G HA3 -0.005 3.955 3.960 0.000 0.000 0.213 287 G C 1.539 176.536 174.900 0.161 0.000 1.142 287 G CA -0.032 45.169 45.100 0.168 0.000 0.793 287 G HN 0.167 nan 8.290 nan 0.000 0.534 288 L N -0.435 120.870 121.223 0.137 0.000 2.130 288 L HA 0.241 4.581 4.340 0.000 0.000 0.200 288 L C 2.683 179.622 176.870 0.115 0.000 1.075 288 L CA 0.227 55.127 54.840 0.100 0.000 0.768 288 L CB -0.383 41.719 42.059 0.072 0.000 0.933 288 L HN 0.094 nan 8.230 nan 0.000 0.451 289 L N -0.315 121.007 121.223 0.164 0.000 2.129 289 L HA -0.296 4.044 4.340 0.000 0.000 0.212 289 L C 2.659 179.613 176.870 0.141 0.000 1.087 289 L CA 1.216 56.166 54.840 0.182 0.000 0.757 289 L CB -0.422 41.812 42.059 0.292 0.000 0.896 289 L HN 0.377 nan 8.230 nan 0.000 0.434 290 H N -0.294 118.812 119.070 0.059 0.000 2.389 290 H HA -0.162 4.394 4.556 0.000 0.000 0.299 290 H C 2.364 177.660 175.328 -0.053 0.000 1.081 290 H CA 1.681 57.676 56.048 -0.089 0.000 1.345 290 H CB 0.121 29.848 29.762 -0.058 0.000 1.393 290 H HN 0.075 nan 8.280 nan 0.000 0.520 291 R N -0.267 120.184 120.500 -0.081 0.000 2.115 291 R HA 0.016 4.356 4.340 0.000 0.000 0.226 291 R C 2.073 178.311 176.300 -0.104 0.000 1.100 291 R CA 1.263 57.289 56.100 -0.123 0.000 0.980 291 R CB -0.087 30.201 30.300 -0.021 0.000 0.875 291 R HN 0.385 nan 8.270 nan 0.000 0.445 292 I N 0.310 120.850 120.570 -0.051 0.000 2.546 292 I HA -0.148 4.022 4.170 0.000 0.000 0.255 292 I C 2.264 178.347 176.117 -0.057 0.000 1.163 292 I CA 0.895 62.176 61.300 -0.031 0.000 1.457 292 I CB -0.161 37.845 38.000 0.010 0.000 1.092 292 I HN 0.223 nan 8.210 nan 0.000 0.434 293 A N 0.574 123.332 122.820 -0.104 0.000 1.968 293 A HA -0.111 4.209 4.320 0.000 0.000 0.217 293 A C 2.336 179.829 177.584 -0.152 0.000 1.169 293 A CA 1.207 53.169 52.037 -0.126 0.000 0.638 293 A CB -0.371 18.520 19.000 -0.182 0.000 0.812 293 A HN 0.331 nan 8.150 nan 0.000 0.446 294 M N -0.762 118.716 119.600 -0.202 0.000 2.288 294 M HA -0.040 4.440 4.480 0.000 0.000 0.266 294 M C 1.706 177.948 176.300 -0.097 0.000 1.072 294 M CA 0.856 56.053 55.300 -0.170 0.000 1.132 294 M CB -0.114 32.357 32.600 -0.214 0.000 1.386 294 M HN 0.191 nan 8.290 nan 0.000 0.432 295 V N 0.501 120.369 119.914 -0.076 0.000 3.141 295 V HA -0.183 3.937 4.120 0.000 0.000 0.265 295 V C 1.857 177.929 176.094 -0.036 0.000 1.126 295 V CA 1.304 63.576 62.300 -0.046 0.000 1.141 295 V CB -0.873 30.930 31.823 -0.033 0.000 0.743 295 V HN 0.542 nan 8.190 nan 0.000 0.492 296 Q N -0.897 118.878 119.800 -0.041 0.000 2.424 296 Q HA 0.072 4.412 4.340 0.000 0.000 0.204 296 Q C 1.832 177.814 176.000 -0.030 0.000 0.933 296 Q CA 0.538 56.323 55.803 -0.029 0.000 0.929 296 Q CB 0.245 28.968 28.738 -0.026 0.000 1.037 296 Q HN 0.511 nan 8.270 nan 0.000 0.511 297 L N -0.539 120.660 121.223 -0.039 0.000 2.575 297 L HA 0.193 4.533 4.340 0.000 0.000 0.228 297 L C -0.145 176.708 176.870 -0.029 0.000 1.075 297 L CA 0.581 55.401 54.840 -0.034 0.000 0.867 297 L CB 1.102 43.136 42.059 -0.041 0.000 1.097 297 L HN -0.010 nan 8.230 nan 0.000 0.485 298 S N -1.468 114.212 115.700 -0.032 0.000 2.652 298 S HA 0.455 4.925 4.470 0.000 0.000 0.273 298 S C -2.372 172.212 174.600 -0.026 0.000 1.172 298 S CA -0.689 57.495 58.200 -0.026 0.000 1.009 298 S CB 1.305 64.489 63.200 -0.027 0.000 1.094 298 S HN 0.020 nan 8.310 nan 0.000 0.471 299 P HA 0.078 nan 4.420 nan 0.000 0.234 299 P C 1.021 178.311 177.300 -0.016 0.000 1.167 299 P CA 0.653 63.743 63.100 -0.017 0.000 0.763 299 P CB -0.132 31.561 31.700 -0.012 0.000 0.835 300 A N 0.116 122.926 122.820 -0.017 0.000 2.265 300 A HA 0.353 4.673 4.320 0.000 0.000 0.213 300 A C 1.889 179.463 177.584 -0.017 0.000 1.255 300 A CA 0.530 52.558 52.037 -0.015 0.000 0.862 300 A CB -0.904 18.088 19.000 -0.013 0.000 0.852 300 A HN 0.205 nan 8.150 nan 0.000 0.484 301 A N -0.462 122.345 122.820 -0.022 0.000 2.302 301 A HA 0.460 4.780 4.320 0.000 0.000 0.219 301 A C 0.483 178.055 177.584 -0.019 0.000 1.243 301 A CA 0.009 52.030 52.037 -0.027 0.000 0.856 301 A CB -0.252 18.722 19.000 -0.044 0.000 0.893 301 A HN 0.407 nan 8.150 nan 0.000 0.491 302 L N 1.106 122.321 121.223 -0.013 0.000 2.277 302 L HA 0.382 4.722 4.340 0.000 0.000 0.284 302 L C 1.174 178.041 176.870 -0.005 0.000 1.028 302 L CA -0.790 54.045 54.840 -0.008 0.000 0.835 302 L CB 0.964 43.019 42.059 -0.007 0.000 1.215 302 L HN 0.396 nan 8.230 nan 0.000 0.425 303 G N 2.205 111.003 108.800 -0.003 0.000 2.846 303 G HA2 -0.215 3.745 3.960 0.000 0.000 0.257 303 G HA3 -0.215 3.745 3.960 0.000 0.000 0.257 303 G C 1.004 175.904 174.900 0.001 0.000 1.253 303 G CA 0.085 45.185 45.100 0.000 0.000 0.918 303 G HN 0.878 nan 8.290 nan 0.000 0.597 304 N N -1.211 117.490 118.700 0.002 0.000 2.459 304 N HA -0.059 4.681 4.740 0.000 0.000 0.181 304 N C 0.740 176.251 175.510 0.002 0.000 1.046 304 N CA 1.546 54.597 53.050 0.001 0.000 0.904 304 N CB 0.405 38.893 38.487 0.002 0.000 0.964 304 N HN 0.452 nan 8.380 nan 0.000 0.444 305 D N -1.088 119.314 120.400 0.003 0.000 2.712 305 D HA 0.135 4.775 4.640 0.000 0.000 0.300 305 D C 0.528 176.830 176.300 0.004 0.000 1.521 305 D CA -0.112 53.889 54.000 0.003 0.000 0.790 305 D CB 0.333 41.135 40.800 0.004 0.000 1.155 305 D HN 0.009 nan 8.370 nan 0.000 0.456 306 M N 0.161 119.763 119.600 0.003 0.000 2.595 306 M HA 0.136 4.616 4.480 0.000 0.000 0.248 306 M C 2.124 178.426 176.300 0.002 0.000 1.119 306 M CA 0.211 55.513 55.300 0.003 0.000 1.079 306 M CB -0.813 31.788 32.600 0.002 0.000 1.472 306 M HN 0.068 nan 8.290 nan 0.000 0.501 307 A N 1.132 123.953 122.820 0.002 0.000 1.884 307 A HA -0.200 4.120 4.320 0.000 0.000 0.219 307 A C 2.471 180.057 177.584 0.002 0.000 1.197 307 A CA 2.715 54.753 52.037 0.001 0.000 0.637 307 A CB -1.044 17.956 19.000 0.001 0.000 0.827 307 A HN 0.468 nan 8.150 nan 0.000 0.450 308 A N -0.205 122.616 122.820 0.002 0.000 1.883 308 A HA -0.112 4.208 4.320 0.000 0.000 0.217 308 A C 2.162 179.747 177.584 0.002 0.000 1.186 308 A CA 1.699 53.737 52.037 0.002 0.000 0.624 308 A CB -0.730 18.271 19.000 0.002 0.000 0.822 308 A HN 0.574 nan 8.150 nan 0.000 0.444 309 I N -1.026 119.546 120.570 0.003 0.000 2.142 309 I HA -0.283 3.887 4.170 0.000 0.000 0.240 309 I C 2.122 178.241 176.117 0.003 0.000 1.078 309 I CA 1.581 62.884 61.300 0.004 0.000 1.343 309 I CB -0.960 37.043 38.000 0.006 0.000 1.046 309 I HN 0.440 nan 8.210 nan 0.000 0.405 310 E N 0.508 120.709 120.200 0.003 0.000 2.755 310 E HA -0.391 3.959 4.350 0.000 0.000 0.241 310 E C 1.975 178.576 176.600 0.002 0.000 0.977 310 E CA 2.659 59.060 56.400 0.001 0.000 1.398 310 E CB -0.778 28.922 29.700 0.001 0.000 1.343 310 E HN 0.387 nan 8.360 nan 0.000 0.482 311 L N 0.947 122.171 121.223 0.002 0.000 2.042 311 L HA -0.189 4.151 4.340 0.000 0.000 0.210 311 L C 2.328 179.200 176.870 0.004 0.000 1.076 311 L CA 1.908 56.749 54.840 0.003 0.000 0.749 311 L CB -0.186 41.875 42.059 0.003 0.000 0.893 311 L HN 0.064 nan 8.230 nan 0.000 0.432 312 R N -1.507 118.996 120.500 0.004 0.000 2.081 312 R HA -0.108 4.232 4.340 0.000 0.000 0.235 312 R C 2.179 178.482 176.300 0.006 0.000 1.131 312 R CA 1.685 57.788 56.100 0.005 0.000 0.960 312 R CB -0.384 29.919 30.300 0.005 0.000 0.856 312 R HN 0.354 nan 8.270 nan 0.000 0.436 313 M N 0.154 119.757 119.600 0.006 0.000 2.098 313 M HA -0.064 4.416 4.480 0.000 0.000 0.262 313 M C 2.036 178.339 176.300 0.005 0.000 1.072 313 M CA 1.408 56.712 55.300 0.006 0.000 1.133 313 M CB -0.597 32.005 32.600 0.004 0.000 1.344 313 M HN 0.006 nan 8.290 nan 0.000 0.414 314 R N 0.425 120.927 120.500 0.003 0.000 2.170 314 R HA -0.171 4.169 4.340 0.000 0.000 0.242 314 R C 1.936 178.239 176.300 0.005 0.000 1.145 314 R CA 1.206 57.308 56.100 0.002 0.000 0.984 314 R CB -0.642 29.659 30.300 0.001 0.000 0.869 314 R HN 0.416 nan 8.270 nan 0.000 0.455 315 E N 0.631 120.835 120.200 0.007 0.000 2.076 315 E HA -0.015 4.335 4.350 0.000 0.000 0.190 315 E C 2.043 178.652 176.600 0.014 0.000 0.979 315 E CA 0.731 57.137 56.400 0.010 0.000 0.807 315 E CB -0.122 29.584 29.700 0.009 0.000 0.761 315 E HN 0.194 nan 8.360 nan 0.000 0.454 316 L N -0.040 121.192 121.223 0.014 0.000 2.046 316 L HA -0.110 4.230 4.340 0.000 0.000 0.208 316 L C 2.477 179.361 176.870 0.023 0.000 1.077 316 L CA 1.113 55.965 54.840 0.021 0.000 0.747 316 L CB -0.752 41.318 42.059 0.019 0.000 0.896 316 L HN 0.192 nan 8.230 nan 0.000 0.432 317 A N 1.014 123.842 122.820 0.014 0.000 2.032 317 A HA -0.234 4.086 4.320 0.000 0.000 0.221 317 A C 2.334 179.924 177.584 0.011 0.000 1.165 317 A CA 2.152 54.194 52.037 0.008 0.000 0.645 317 A CB -0.501 18.498 19.000 -0.002 0.000 0.807 317 A HN 0.636 nan 8.150 nan 0.000 0.453 318 R N -1.721 118.788 120.500 0.014 0.000 2.191 318 R HA 0.031 4.371 4.340 0.000 0.000 0.196 318 R C 1.649 177.963 176.300 0.022 0.000 0.991 318 R CA 1.204 57.312 56.100 0.014 0.000 1.075 318 R CB -0.880 29.426 30.300 0.010 0.000 1.040 318 R HN 0.350 nan 8.270 nan 0.000 0.526 319 T N -0.850 113.720 114.554 0.027 0.000 3.129 319 T HA 0.344 4.694 4.350 0.000 0.000 0.251 319 T C 0.677 175.408 174.700 0.052 0.000 1.117 319 T CA -0.102 62.019 62.100 0.035 0.000 1.034 319 T CB -0.168 68.719 68.868 0.032 0.000 0.968 319 T HN 0.121 nan 8.240 nan 0.000 0.526 320 I N 1.992 122.596 120.570 0.057 0.000 2.410 320 I HA 0.394 4.564 4.170 0.000 0.000 0.286 320 I C -2.718 173.441 176.117 0.071 0.000 1.009 320 I CA -2.992 58.359 61.300 0.085 0.000 1.111 320 I CB 2.213 40.277 38.000 0.106 0.000 1.262 320 I HN -0.155 nan 8.210 nan 0.000 0.443 321 P HA 0.031 nan 4.420 nan 0.000 0.266 321 P C -1.849 175.470 177.300 0.031 0.000 1.195 321 P CA -0.849 62.275 63.100 0.040 0.000 0.768 321 P CB 0.154 31.874 31.700 0.034 0.000 0.838 322 P HA -0.162 nan 4.420 nan 0.000 0.220 322 P C 1.019 178.312 177.300 -0.011 0.000 1.148 322 P CA 1.660 64.761 63.100 0.002 0.000 0.803 322 P CB -0.215 31.481 31.700 -0.008 0.000 0.782 323 T N 0.398 114.939 114.554 -0.020 0.000 2.737 323 T HA -0.110 4.240 4.350 0.000 0.000 0.265 323 T C 1.324 175.970 174.700 -0.089 0.000 1.038 323 T CA 1.859 63.934 62.100 -0.042 0.000 1.144 323 T CB -0.846 68.000 68.868 -0.037 0.000 0.866 323 T HN 0.139 nan 8.240 nan 0.000 0.434 324 D N 0.871 121.210 120.400 -0.101 0.000 2.144 324 D HA 0.024 4.665 4.640 0.000 0.000 0.199 324 D C 2.010 178.155 176.300 -0.257 0.000 0.984 324 D CA 0.549 54.397 54.000 -0.253 0.000 0.834 324 D CB -0.380 40.365 40.800 -0.091 0.000 0.955 324 D HN 0.337 nan 8.370 nan 0.000 0.465 325 I N 0.685 121.264 120.570 0.015 0.000 2.226 325 I HA -0.262 3.908 4.170 0.000 0.000 0.245 325 I C 2.272 178.446 176.117 0.096 0.000 1.100 325 I CA 0.941 62.328 61.300 0.145 0.000 1.374 325 I CB -0.031 38.030 38.000 0.101 0.000 1.057 325 I HN -0.030 nan 8.210 nan 0.000 0.413 326 Q N 0.102 119.913 119.800 0.019 0.000 2.084 326 Q HA -0.227 4.113 4.340 0.000 0.000 0.202 326 Q C 2.225 178.246 176.000 0.035 0.000 0.978 326 Q CA 1.478 57.310 55.803 0.049 0.000 0.844 326 Q CB -0.804 27.938 28.738 0.006 0.000 0.898 326 Q HN 0.413 nan 8.270 nan 0.000 0.426 327 L N -0.035 121.111 121.223 -0.127 0.000 2.012 327 L HA -0.222 4.118 4.340 0.000 0.000 0.210 327 L C 2.059 178.826 176.870 -0.172 0.000 1.073 327 L CA 1.771 56.478 54.840 -0.222 0.000 0.748 327 L CB -0.634 41.175 42.059 -0.416 0.000 0.891 327 L HN 0.118 nan 8.230 nan 0.000 0.431 328 Y N -2.165 118.155 120.300 0.034 0.000 2.314 328 Y HA -0.209 4.341 4.550 0.000 0.000 0.293 328 Y C 2.409 178.350 175.900 0.068 0.000 1.129 328 Y CA 1.366 59.482 58.100 0.027 0.000 1.201 328 Y CB -1.234 37.233 38.460 0.012 0.000 0.999 328 Y HN 0.303 nan 8.280 nan 0.000 0.541 329 Y N 1.163 121.540 120.300 0.128 0.000 2.181 329 Y HA -0.275 4.275 4.550 0.000 0.000 0.288 329 Y C 2.118 178.049 175.900 0.051 0.000 1.146 329 Y CA 1.740 59.894 58.100 0.090 0.000 1.164 329 Y CB -0.358 38.151 38.460 0.080 0.000 0.982 329 Y HN 0.161 nan 8.280 nan 0.000 0.515 330 Q N -0.865 118.965 119.800 0.051 0.000 2.046 330 Q HA -0.146 4.194 4.340 0.000 0.000 0.200 330 Q C 2.214 178.160 176.000 -0.090 0.000 0.975 330 Q CA 2.273 58.044 55.803 -0.052 0.000 0.836 330 Q CB -0.400 28.340 28.738 0.004 0.000 0.896 330 Q HN 0.356 nan 8.270 nan 0.000 0.428 331 T N 1.227 115.761 114.554 -0.034 0.000 2.759 331 T HA -0.107 4.243 4.350 0.000 0.000 0.269 331 T C 1.549 176.236 174.700 -0.022 0.000 1.042 331 T CA 0.849 62.941 62.100 -0.014 0.000 1.140 331 T CB -0.038 68.865 68.868 0.057 0.000 0.864 331 T HN 0.099 nan 8.240 nan 0.000 0.455 332 L N 0.653 121.854 121.223 -0.036 0.000 2.240 332 L HA 0.113 4.453 4.340 0.000 0.000 0.211 332 L C 2.293 179.088 176.870 -0.124 0.000 1.106 332 L CA 0.850 55.658 54.840 -0.053 0.000 0.793 332 L CB -1.264 40.775 42.059 -0.033 0.000 0.927 332 L HN 0.284 nan 8.230 nan 0.000 0.446 333 L N 0.307 121.391 121.223 -0.232 0.000 2.005 333 L HA -0.184 4.156 4.340 0.000 0.000 0.207 333 L C 2.489 179.283 176.870 -0.127 0.000 1.072 333 L CA 1.822 56.503 54.840 -0.264 0.000 0.744 333 L CB -0.614 41.212 42.059 -0.388 0.000 0.895 333 L HN 0.138 nan 8.230 nan 0.000 0.433 334 I N -0.084 120.427 120.570 -0.098 0.000 2.163 334 I HA -0.239 3.931 4.170 0.000 0.000 0.243 334 I C 2.483 178.584 176.117 -0.027 0.000 1.085 334 I CA 1.353 62.620 61.300 -0.054 0.000 1.347 334 I CB -0.951 37.016 38.000 -0.055 0.000 1.044 334 I HN 0.359 nan 8.210 nan 0.000 0.408 335 G N 0.371 109.156 108.800 -0.025 0.000 2.498 335 G HA2 -0.250 3.710 3.960 0.000 0.000 0.219 335 G HA3 -0.250 3.710 3.960 0.000 0.000 0.219 335 G C 1.793 176.695 174.900 0.002 0.000 1.119 335 G CA 0.364 45.462 45.100 -0.004 0.000 0.766 335 G HN 0.321 nan 8.290 nan 0.000 0.552 336 R N 0.431 120.924 120.500 -0.012 0.000 2.075 336 R HA 0.060 4.400 4.340 0.000 0.000 0.226 336 R C 2.328 178.636 176.300 0.012 0.000 1.114 336 R CA 1.052 57.151 56.100 -0.003 0.000 0.972 336 R CB -0.191 30.094 30.300 -0.025 0.000 0.869 336 R HN 0.252 nan 8.270 nan 0.000 0.437 337 K N 0.398 120.808 120.400 0.017 0.000 2.097 337 K HA -0.117 4.203 4.320 0.000 0.000 0.205 337 K C 1.890 178.565 176.600 0.126 0.000 1.050 337 K CA 1.611 57.932 56.287 0.057 0.000 0.938 337 K CB 0.002 32.529 32.500 0.045 0.000 0.718 337 K HN 0.331 nan 8.250 nan 0.000 0.442 338 E N 0.927 121.188 120.200 0.101 0.000 2.208 338 E HA -0.155 4.195 4.350 0.000 0.000 0.193 338 E C 1.874 178.559 176.600 0.142 0.000 0.988 338 E CA 0.255 56.744 56.400 0.147 0.000 0.828 338 E CB -0.070 29.671 29.700 0.068 0.000 0.763 338 E HN 0.094 nan 8.360 nan 0.000 0.478 339 L N 2.295 123.553 121.223 0.060 0.000 1.976 339 L HA -0.205 4.135 4.340 0.000 0.000 0.223 339 L C -0.762 176.090 176.870 -0.030 0.000 1.081 339 L CA 2.357 57.203 54.840 0.011 0.000 0.784 339 L CB -1.059 41.004 42.059 0.006 0.000 0.896 339 L HN 0.111 nan 8.230 nan 0.000 0.438 340 P HA -0.195 nan 4.420 nan 0.000 0.228 340 P C 0.913 178.045 177.300 -0.280 0.000 1.151 340 P CA 1.636 64.590 63.100 -0.243 0.000 0.770 340 P CB -0.212 31.252 31.700 -0.394 0.000 0.786 341 Y N -0.207 120.087 120.300 -0.009 0.000 2.478 341 Y HA 0.354 4.904 4.550 0.000 0.000 0.261 341 Y C 1.853 177.743 175.900 -0.017 0.000 1.127 341 Y CA -0.452 57.641 58.100 -0.011 0.000 1.288 341 Y CB -0.294 38.159 38.460 -0.011 0.000 1.084 341 Y HN -0.084 nan 8.280 nan 0.000 0.530 342 A N 2.060 124.940 122.820 0.100 0.000 2.429 342 A HA 0.057 4.377 4.320 0.000 0.000 0.242 342 A C -0.985 176.609 177.584 0.017 0.000 1.088 342 A CA -0.816 51.244 52.037 0.039 0.000 0.784 342 A CB -0.337 18.657 19.000 -0.010 0.000 1.038 342 A HN 0.161 nan 8.150 nan 0.000 0.501 343 P HA -0.008 nan 4.420 nan 0.000 0.226 343 P C -0.249 177.039 177.300 -0.021 0.000 1.153 343 P CA 1.627 64.724 63.100 -0.004 0.000 0.777 343 P CB -0.030 31.665 31.700 -0.009 0.000 0.794 344 D N -1.804 118.568 120.400 -0.045 0.000 2.871 344 D HA 0.133 4.773 4.640 0.000 0.000 0.209 344 D C 1.077 177.299 176.300 -0.130 0.000 1.292 344 D CA -0.659 53.299 54.000 -0.070 0.000 0.869 344 D CB 1.114 41.870 40.800 -0.074 0.000 1.663 344 D HN -0.383 nan 8.370 nan 0.000 0.557 345 R N 2.024 122.450 120.500 -0.124 0.000 2.133 345 R HA -0.180 4.160 4.340 0.000 0.000 0.247 345 R C 1.993 177.977 176.300 -0.526 0.000 1.151 345 R CA 1.476 57.465 56.100 -0.185 0.000 0.971 345 R CB -0.156 30.135 30.300 -0.015 0.000 0.866 345 R HN 0.510 nan 8.270 nan 0.000 0.447 346 R N 0.826 120.865 120.500 -0.769 0.000 2.075 346 R HA -0.103 4.237 4.340 0.000 0.000 0.232 346 R C 2.327 178.203 176.300 -0.706 0.000 1.126 346 R CA 1.532 56.850 56.100 -1.304 0.000 0.963 346 R CB -0.251 29.540 30.300 -0.849 0.000 0.858 346 R HN 0.155 nan 8.270 nan 0.000 0.435 347 M N 0.215 119.581 119.600 -0.390 0.000 2.144 347 M HA -0.133 4.347 4.480 0.000 0.000 0.260 347 M C 1.907 178.092 176.300 -0.192 0.000 1.067 347 M CA 2.207 57.369 55.300 -0.231 0.000 1.095 347 M CB -0.334 32.181 32.600 -0.142 0.000 1.365 347 M HN 0.387 nan 8.290 nan 0.000 0.406 348 G N -0.590 108.092 108.800 -0.197 0.000 2.433 348 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 348 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 348 G C 1.291 176.121 174.900 -0.117 0.000 1.186 348 G CA 1.100 46.130 45.100 -0.118 0.000 0.779 348 G HN 0.396 nan 8.290 nan 0.000 0.543 349 V N 1.143 120.945 119.914 -0.187 0.000 2.252 349 V HA -0.252 3.868 4.120 0.000 0.000 0.249 349 V C 2.715 178.748 176.094 -0.102 0.000 1.056 349 V CA 2.408 64.635 62.300 -0.121 0.000 1.022 349 V CB -0.759 30.963 31.823 -0.169 0.000 0.641 349 V HN 0.483 nan 8.190 nan 0.000 0.445 350 E N -0.647 119.447 120.200 -0.177 0.000 2.097 350 E HA -0.265 4.085 4.350 0.000 0.000 0.196 350 E C 2.201 178.771 176.600 -0.050 0.000 1.000 350 E CA 1.472 57.809 56.400 -0.105 0.000 0.804 350 E CB -0.227 29.394 29.700 -0.131 0.000 0.740 350 E HN 0.416 nan 8.360 nan 0.000 0.454 351 M N 0.179 119.747 119.600 -0.054 0.000 2.349 351 M HA -0.056 4.424 4.480 0.000 0.000 0.266 351 M C 2.149 178.457 176.300 0.013 0.000 1.076 351 M CA 1.089 56.379 55.300 -0.016 0.000 1.126 351 M CB -0.417 32.172 32.600 -0.019 0.000 1.392 351 M HN 0.046 nan 8.290 nan 0.000 0.440 352 T N 1.286 115.843 114.554 0.005 0.000 2.746 352 T HA -0.088 4.262 4.350 0.000 0.000 0.267 352 T C 1.893 176.624 174.700 0.051 0.000 1.039 352 T CA 1.082 63.198 62.100 0.027 0.000 1.142 352 T CB -0.162 68.715 68.868 0.015 0.000 0.866 352 T HN 0.301 nan 8.240 nan 0.000 0.444 353 L N 0.224 121.472 121.223 0.042 0.000 2.109 353 L HA 0.093 4.433 4.340 0.000 0.000 0.207 353 L C 2.328 179.241 176.870 0.072 0.000 1.086 353 L CA 0.753 55.627 54.840 0.057 0.000 0.760 353 L CB -0.405 41.680 42.059 0.044 0.000 0.910 353 L HN 0.216 nan 8.230 nan 0.000 0.437 354 L N -0.471 120.784 121.223 0.054 0.000 2.265 354 L HA -0.196 4.144 4.340 0.000 0.000 0.215 354 L C 2.738 179.661 176.870 0.089 0.000 1.117 354 L CA 0.952 55.825 54.840 0.055 0.000 0.782 354 L CB -0.264 41.812 42.059 0.029 0.000 0.914 354 L HN 0.238 nan 8.230 nan 0.000 0.441 355 R N -0.419 120.154 120.500 0.123 0.000 2.100 355 R HA -0.060 4.280 4.340 0.000 0.000 0.220 355 R C 2.346 178.814 176.300 0.279 0.000 1.091 355 R CA 1.069 57.299 56.100 0.216 0.000 0.986 355 R CB -0.114 30.293 30.300 0.178 0.000 0.888 355 R HN 0.294 nan 8.270 nan 0.000 0.444 356 A N 0.804 123.749 122.820 0.209 0.000 1.898 356 A HA -0.130 4.190 4.320 0.000 0.000 0.216 356 A C 1.910 179.658 177.584 0.273 0.000 1.181 356 A CA 0.947 53.132 52.037 0.245 0.000 0.620 356 A CB -0.457 18.656 19.000 0.190 0.000 0.819 356 A HN 0.279 nan 8.150 nan 0.000 0.442 357 L N -0.633 120.715 121.223 0.208 0.000 2.131 357 L HA -0.050 4.290 4.340 0.000 0.000 0.210 357 L C 2.729 179.679 176.870 0.133 0.000 1.092 357 L CA 1.796 56.750 54.840 0.191 0.000 0.759 357 L CB -0.745 41.378 42.059 0.107 0.000 0.903 357 L HN 0.398 nan 8.230 nan 0.000 0.435 358 A N -2.334 120.532 122.820 0.076 0.000 1.975 358 A HA -0.000 4.320 4.320 0.000 0.000 0.215 358 A C 1.426 178.865 177.584 -0.242 0.000 1.170 358 A CA 0.568 52.536 52.037 -0.116 0.000 0.656 358 A CB -0.433 18.440 19.000 -0.212 0.000 0.821 358 A HN 0.323 nan 8.150 nan 0.000 0.449 359 F N -0.184 119.826 119.950 0.101 0.000 2.837 359 F HA 0.256 4.783 4.527 0.000 0.000 0.298 359 F C 0.603 176.474 175.800 0.119 0.000 1.161 359 F CA -0.489 57.560 58.000 0.082 0.000 1.353 359 F CB -0.215 38.809 39.000 0.039 0.000 0.951 359 F HN 0.293 nan 8.300 nan 0.000 0.508 360 H N 0.524 119.708 119.070 0.189 0.000 2.652 360 H HA 0.128 4.684 4.556 0.000 0.000 0.349 360 H C -1.555 173.857 175.328 0.140 0.000 1.099 360 H CA -1.441 54.736 56.048 0.215 0.000 1.417 360 H CB 1.314 31.183 29.762 0.179 0.000 1.457 360 H HN -0.041 nan 8.280 nan 0.000 0.568 361 P HA -0.107 nan 4.420 nan 0.000 0.214 361 P C -0.165 177.285 177.300 0.250 0.000 1.162 361 P CA 1.140 64.386 63.100 0.244 0.000 0.874 361 P CB 0.294 32.094 31.700 0.167 0.000 0.784 362 R N -0.386 120.326 120.500 0.353 0.000 2.540 362 R HA 0.414 4.754 4.340 0.000 0.000 0.287 362 R C -0.112 176.144 176.300 -0.073 0.000 0.980 362 R CA -0.559 55.609 56.100 0.113 0.000 0.966 362 R CB 0.180 30.537 30.300 0.094 0.000 1.106 362 R HN -0.062 nan 8.270 nan 0.000 0.480 363 M N 2.541 122.098 119.600 -0.072 0.000 2.303 363 M HA -0.173 4.308 4.480 0.000 0.000 0.189 363 M C -2.155 174.075 176.300 -0.116 0.000 0.688 363 M CA 0.122 55.354 55.300 -0.114 0.000 0.479 363 M CB -1.203 31.300 32.600 -0.162 0.000 1.094 363 M HN 0.435 nan 8.290 nan 0.000 0.907 364 P HA 0.429 nan 4.420 nan 0.000 0.278 364 P C -0.122 177.151 177.300 -0.044 0.000 1.266 364 P CA -0.676 62.412 63.100 -0.019 0.000 0.807 364 P CB 0.742 32.446 31.700 0.007 0.000 1.094 365 L N 1.417 122.609 121.223 -0.052 0.000 2.573 365 L HA 0.093 4.433 4.340 0.000 0.000 0.290 365 L C -1.261 175.578 176.870 -0.052 0.000 1.247 365 L CA -0.985 53.823 54.840 -0.053 0.000 0.876 365 L CB -0.928 41.094 42.059 -0.062 0.000 1.123 365 L HN 0.374 nan 8.230 nan 0.000 0.505 366 P HA 0.422 nan 4.420 nan 0.000 0.285 366 P C -1.441 175.839 177.300 -0.033 0.000 1.269 366 P CA -0.699 62.381 63.100 -0.034 0.000 0.844 366 P CB 1.558 33.242 31.700 -0.027 0.000 1.094 367 E N 0.817 121.000 120.200 -0.028 0.000 2.321 367 E HA 0.414 4.764 4.350 0.000 0.000 0.281 367 E C -1.996 174.593 176.600 -0.019 0.000 0.910 367 E CA -1.177 55.208 56.400 -0.025 0.000 0.770 367 E CB 0.920 30.603 29.700 -0.029 0.000 1.225 367 E HN 0.505 nan 8.360 nan 0.000 0.417 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 368 P CB 0.000 31.693 31.700 -0.011 0.000 0.726