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 1t3q_1_E DATA FIRST_RESID 1 DATA SEQUENCE MMKHEVVALK KKSIGTSVLR REDTRLLTGR GRYIADLVLS GMLHVASLRS DATA SEQUENCE PFAHARIVSI DVADAQALPG VELVWCGADV AELSQGIVAT MQVEGFQTTI DATA SEQUENCE QPLLANGVTR FVGEIVAVVV ASSRAIAEDA AQLIQVEYEE LPAVTGIEAA DATA SEQUENCE LEGEARANDT LAGNVVSRTS RARDELAPIF ASSAGVVRGQ FSCGRVSACP DATA SEQUENCE METRGAVAQY EWTTQQLILW TATQMPSFVR TMVAMFCAIP EHLIEVRVPD DATA SEQUENCE VGGGFGQKAH LHPEELLVCL LSRALGRPVR WIEDRQENFL GATHAKQQRN DATA SEQUENCE EMGLAFDGDG RFLALENRSI TDGGAYNNLP WTQLVESHVG NAVILGVYKV DATA SEQUENCE PAVSEESIAV ATNKCPIGAY RGVGFTAGQI ARETLIDRAA RQLGLSPFEI DATA SEQUENCE RRRNVVMPED FPFTNRLGQT HREGTYLQTI NLLEEMVNPE AFRQRQAEAR DATA SEQUENCE ARGKYLGLGV SVFNEVTGTG TRTLSFLGTP TTTHDSATVR IDPTGKVTVT DATA SEQUENCE TSLASSGQGH ETTLAQIAAD VLGVPASDVV IQAGSTKNTY GFGAYASRGA DATA SEQUENCE VIGAGSIGRA ASIVRERVKQ LAGHLLEAAS EDIVIEDGLV HVAGVPAKGM DATA SEQUENCE PFAEVVGAAY FADATHPPGF DATLEATATY DPSDLVLANG GHAAIVEIDA DATA SEQUENCE STYATRVTDF FAVEDCGTMI NPMIVEGQIR GGIAQAIGQT LLEEVIYDDF DATA SEQUENCE GQLVTTTLMD YLIPTTLDVP DIRIRHLETP SPLVPGGIKG MGESAMISAP DATA SEQUENCE AAVVAAVNDA LAHLEVVIET VPITPERIFR SIQERP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.169 176.300 -0.218 0.000 1.140 1 M CA 0.000 55.138 55.300 -0.270 0.000 0.988 1 M CB 0.000 32.231 32.600 -0.615 0.000 1.302 2 M N 1.272 120.789 119.600 -0.138 0.000 2.279 2 M HA -0.122 4.360 4.480 0.004 0.000 0.264 2 M C 1.687 177.947 176.300 -0.067 0.000 1.062 2 M CA 1.669 56.927 55.300 -0.070 0.000 1.099 2 M CB -1.125 31.446 32.600 -0.047 0.000 1.394 2 M HN 0.748 nan 8.290 nan 0.000 0.426 3 K N -1.082 119.223 120.400 -0.160 0.000 2.362 3 K HA -0.140 4.182 4.320 0.004 0.000 0.200 3 K C 1.249 177.799 176.600 -0.082 0.000 1.046 3 K CA 1.349 57.556 56.287 -0.134 0.000 0.952 3 K CB -0.592 31.773 32.500 -0.225 0.000 0.753 3 K HN 0.481 nan 8.250 nan 0.000 0.466 4 H N 0.662 119.680 119.070 -0.087 0.000 2.548 4 H HA 0.083 4.642 4.556 0.004 0.000 0.268 4 H C 0.095 175.448 175.328 0.042 0.000 0.975 4 H CA -0.443 55.547 56.048 -0.095 0.000 1.195 4 H CB 0.300 30.018 29.762 -0.073 0.000 1.397 4 H HN 0.346 nan 8.280 nan 0.000 0.572 5 E N 1.877 122.186 120.200 0.182 0.000 2.608 5 E HA -0.058 4.294 4.350 0.004 0.000 0.259 5 E C -0.848 175.866 176.600 0.191 0.000 0.951 5 E CA -0.012 56.478 56.400 0.149 0.000 0.945 5 E CB 0.574 30.331 29.700 0.094 0.000 0.916 5 E HN 0.015 nan 8.360 nan 0.000 0.477 6 V N 6.937 126.920 119.914 0.115 0.000 2.304 6 V HA 0.121 4.244 4.120 0.004 0.000 0.278 6 V C 0.078 176.184 176.094 0.020 0.000 1.018 6 V CA -0.719 61.626 62.300 0.075 0.000 0.814 6 V CB 0.880 32.742 31.823 0.065 0.000 1.021 6 V HN 0.564 nan 8.190 nan 0.000 0.440 7 V N 2.894 122.802 119.914 -0.011 0.000 2.811 7 V HA 0.842 4.964 4.120 0.004 0.000 0.302 7 V C 0.658 176.734 176.094 -0.030 0.000 1.063 7 V CA -0.169 62.119 62.300 -0.021 0.000 1.088 7 V CB 1.107 32.910 31.823 -0.034 0.000 0.982 7 V HN 0.896 nan 8.190 nan 0.000 0.485 8 A N 5.345 128.151 122.820 -0.024 0.000 2.302 8 A HA 0.884 5.207 4.320 0.004 0.000 0.285 8 A C -0.390 177.174 177.584 -0.035 0.000 1.105 8 A CA -0.325 51.695 52.037 -0.027 0.000 0.816 8 A CB 0.573 19.561 19.000 -0.020 0.000 1.067 8 A HN 2.057 nan 8.150 nan 0.000 0.489 9 L N -1.444 119.756 121.223 -0.038 0.000 2.582 9 L HA 0.660 5.002 4.340 0.004 0.000 0.257 9 L C -0.727 176.120 176.870 -0.039 0.000 0.974 9 L CA -0.831 53.983 54.840 -0.043 0.000 0.851 9 L CB 1.779 43.807 42.059 -0.051 0.000 1.424 9 L HN 0.610 nan 8.230 nan 0.000 0.412 10 K N 1.821 122.197 120.400 -0.040 0.000 2.281 10 K HA 0.462 4.784 4.320 0.004 0.000 0.272 10 K C -0.744 175.834 176.600 -0.037 0.000 1.048 10 K CA -0.537 55.730 56.287 -0.034 0.000 0.898 10 K CB 0.857 33.339 32.500 -0.030 0.000 1.128 10 K HN 0.728 nan 8.250 nan 0.000 0.460 11 K N 3.804 124.184 120.400 -0.035 0.000 2.451 11 K HA -0.057 4.265 4.320 0.004 0.000 0.280 11 K C 0.349 176.929 176.600 -0.032 0.000 1.020 11 K CA 0.349 56.615 56.287 -0.035 0.000 1.008 11 K CB 1.022 33.501 32.500 -0.034 0.000 0.917 11 K HN 0.595 nan 8.250 nan 0.000 0.478 12 K N 0.881 121.260 120.400 -0.034 0.000 2.890 12 K HA -0.023 4.300 4.320 0.004 0.000 0.202 12 K C 1.835 178.417 176.600 -0.029 0.000 1.592 12 K CA 0.098 56.367 56.287 -0.030 0.000 1.197 12 K CB 0.116 32.596 32.500 -0.033 0.000 1.913 12 K HN 0.376 nan 8.250 nan 0.000 0.550 13 S N 0.634 116.315 115.700 -0.033 0.000 2.388 13 S HA 0.213 4.685 4.470 0.004 0.000 0.223 13 S C 0.811 175.393 174.600 -0.029 0.000 1.034 13 S CA -0.023 58.160 58.200 -0.029 0.000 0.963 13 S CB -0.102 63.079 63.200 -0.031 0.000 0.827 13 S HN 0.256 nan 8.310 nan 0.000 0.481 14 I N 1.826 122.376 120.570 -0.033 0.000 2.668 14 I HA 0.198 4.370 4.170 0.004 0.000 0.285 14 I C 1.536 177.632 176.117 -0.035 0.000 1.168 14 I CA 0.961 62.240 61.300 -0.035 0.000 1.424 14 I CB 0.455 38.431 38.000 -0.039 0.000 1.377 14 I HN 0.543 nan 8.210 nan 0.000 0.560 15 G N 3.686 112.464 108.800 -0.037 0.000 2.213 15 G HA2 -0.220 3.742 3.960 0.004 0.000 0.226 15 G HA3 -0.220 3.742 3.960 0.004 0.000 0.226 15 G C 0.285 175.161 174.900 -0.040 0.000 0.992 15 G CA 0.064 45.138 45.100 -0.043 0.000 0.632 15 G HN 0.756 nan 8.290 nan 0.000 0.511 16 T N -1.329 113.207 114.554 -0.031 0.000 2.929 16 T HA 0.662 5.015 4.350 0.004 0.000 0.284 16 T C 0.380 175.068 174.700 -0.021 0.000 1.014 16 T CA 0.346 62.431 62.100 -0.024 0.000 1.051 16 T CB 1.983 70.840 68.868 -0.018 0.000 1.028 16 T HN 0.350 nan 8.240 nan 0.000 0.485 17 S N 2.154 117.844 115.700 -0.016 0.000 4.120 17 S HA 0.263 4.735 4.470 0.004 0.000 0.196 17 S C 0.388 174.987 174.600 -0.002 0.000 1.447 17 S CA -0.658 57.537 58.200 -0.008 0.000 0.939 17 S CB -0.891 62.307 63.200 -0.004 0.000 1.496 17 S HN 0.633 nan 8.310 nan 0.000 0.460 18 V N 3.743 123.655 119.914 -0.003 0.000 2.599 18 V HA 0.040 4.163 4.120 0.004 0.000 0.300 18 V C 0.692 176.788 176.094 0.005 0.000 1.034 18 V CA -0.104 62.196 62.300 0.000 0.000 1.115 18 V CB 0.146 31.968 31.823 -0.001 0.000 0.934 18 V HN 0.601 nan 8.190 nan 0.000 0.485 19 L N 5.912 127.139 121.223 0.007 0.000 2.456 19 L HA 0.283 4.625 4.340 0.004 0.000 0.272 19 L C 0.985 177.861 176.870 0.010 0.000 1.189 19 L CA -0.238 54.608 54.840 0.010 0.000 0.846 19 L CB 0.104 42.169 42.059 0.010 0.000 1.111 19 L HN 0.601 nan 8.230 nan 0.000 0.475 20 R N 2.722 123.229 120.500 0.012 0.000 2.489 20 R HA 0.019 4.361 4.340 0.004 0.000 0.287 20 R C 1.083 177.390 176.300 0.011 0.000 1.053 20 R CA -0.235 55.872 56.100 0.012 0.000 1.036 20 R CB 0.473 30.780 30.300 0.012 0.000 0.966 20 R HN 0.641 nan 8.270 nan 0.000 0.432 21 R N 2.471 122.977 120.500 0.010 0.000 2.193 21 R HA -0.088 4.254 4.340 0.004 0.000 0.213 21 R C 1.082 177.386 176.300 0.006 0.000 1.055 21 R CA 0.916 57.022 56.100 0.009 0.000 0.995 21 R CB -0.024 30.282 30.300 0.009 0.000 0.893 21 R HN 0.640 nan 8.270 nan 0.000 0.459 22 E N 1.609 121.811 120.200 0.004 0.000 2.285 22 E HA -0.142 4.210 4.350 0.004 0.000 0.194 22 E C 0.517 177.120 176.600 0.005 0.000 0.997 22 E CA 0.767 57.165 56.400 -0.003 0.000 0.845 22 E CB -0.135 29.558 29.700 -0.012 0.000 0.782 22 E HN 0.232 nan 8.360 nan 0.000 0.491 23 D N 1.704 122.112 120.400 0.012 0.000 2.116 23 D HA -0.141 4.502 4.640 0.004 0.000 0.193 23 D C 1.773 178.086 176.300 0.021 0.000 0.998 23 D CA 2.353 56.365 54.000 0.020 0.000 0.836 23 D CB -0.551 40.261 40.800 0.020 0.000 0.951 23 D HN 0.210 nan 8.370 nan 0.000 0.449 24 T N 0.923 115.487 114.554 0.016 0.000 2.665 24 T HA -0.226 4.126 4.350 0.004 0.000 0.268 24 T C 1.895 176.606 174.700 0.019 0.000 1.035 24 T CA 1.950 64.060 62.100 0.016 0.000 1.151 24 T CB -0.221 68.655 68.868 0.013 0.000 0.862 24 T HN 0.398 nan 8.240 nan 0.000 0.438 25 R N 1.230 121.739 120.500 0.015 0.000 2.115 25 R HA 0.124 4.467 4.340 0.004 0.000 0.226 25 R C 2.194 178.513 176.300 0.033 0.000 1.100 25 R CA 1.051 57.160 56.100 0.016 0.000 0.980 25 R CB -0.687 29.613 30.300 0.001 0.000 0.875 25 R HN 0.323 nan 8.270 nan 0.000 0.445 26 L N 0.722 121.967 121.223 0.038 0.000 2.465 26 L HA 0.043 4.385 4.340 0.004 0.000 0.224 26 L C 1.831 178.745 176.870 0.073 0.000 1.145 26 L CA 0.592 55.477 54.840 0.075 0.000 0.834 26 L CB -0.106 41.998 42.059 0.075 0.000 0.944 26 L HN 0.228 nan 8.230 nan 0.000 0.451 27 L N -0.877 120.375 121.223 0.048 0.000 2.590 27 L HA 0.035 4.378 4.340 0.004 0.000 0.227 27 L C 1.758 178.648 176.870 0.034 0.000 1.099 27 L CA 0.507 55.371 54.840 0.039 0.000 0.872 27 L CB 0.121 42.198 42.059 0.030 0.000 1.088 27 L HN 0.265 nan 8.230 nan 0.000 0.479 28 T N -4.634 109.941 114.554 0.035 0.000 3.129 28 T HA 0.313 4.665 4.350 0.004 0.000 0.267 28 T C 1.295 176.015 174.700 0.033 0.000 1.018 28 T CA 0.300 62.417 62.100 0.029 0.000 0.903 28 T CB 0.763 69.645 68.868 0.023 0.000 1.067 28 T HN 0.272 nan 8.240 nan 0.000 0.549 29 G N 2.528 111.356 108.800 0.047 0.000 2.148 29 G HA2 -0.296 3.667 3.960 0.004 0.000 0.254 29 G HA3 -0.296 3.667 3.960 0.004 0.000 0.254 29 G C 0.748 175.685 174.900 0.061 0.000 0.981 29 G CA 0.158 45.290 45.100 0.054 0.000 0.670 29 G HN 0.578 nan 8.290 nan 0.000 0.528 30 R N 0.363 120.895 120.500 0.055 0.000 2.466 30 R HA 0.325 4.667 4.340 0.004 0.000 0.279 30 R C 1.465 177.786 176.300 0.035 0.000 0.976 30 R CA 0.236 56.360 56.100 0.040 0.000 1.081 30 R CB 0.597 30.911 30.300 0.023 0.000 1.215 30 R HN 0.356 nan 8.270 nan 0.000 0.546 31 G N 1.045 109.888 108.800 0.072 0.000 2.503 31 G HA2 0.159 4.121 3.960 0.004 0.000 0.257 31 G HA3 0.159 4.121 3.960 0.004 0.000 0.257 31 G C -0.288 174.604 174.900 -0.014 0.000 1.214 31 G CA -0.519 44.573 45.100 -0.013 0.000 0.839 31 G HN 0.205 nan 8.290 nan 0.000 0.559 32 R N 1.462 121.858 120.500 -0.173 0.000 2.312 32 R HA 0.254 4.596 4.340 0.004 0.000 0.310 32 R C -1.092 175.121 176.300 -0.144 0.000 1.064 32 R CA -0.375 55.682 56.100 -0.072 0.000 0.983 32 R CB 0.959 31.231 30.300 -0.048 0.000 1.139 32 R HN 0.556 nan 8.270 nan 0.000 0.536 33 Y N 0.672 120.967 120.300 -0.008 0.000 2.408 33 Y HA 0.112 4.664 4.550 0.004 0.000 0.324 33 Y C 1.693 177.581 175.900 -0.021 0.000 1.302 33 Y CA -0.785 57.310 58.100 -0.008 0.000 1.384 33 Y CB 0.468 38.917 38.460 -0.018 0.000 1.367 33 Y HN 0.327 nan 8.280 nan 0.000 0.525 34 I N 1.223 121.887 120.570 0.157 0.000 2.264 34 I HA -0.273 3.900 4.170 0.004 0.000 0.248 34 I C 2.075 178.193 176.117 0.002 0.000 1.111 34 I CA 1.982 63.320 61.300 0.063 0.000 1.382 34 I CB -0.763 37.271 38.000 0.057 0.000 1.060 34 I HN 0.708 nan 8.210 nan 0.000 0.418 35 A N -0.586 122.238 122.820 0.007 0.000 2.119 35 A HA -0.114 4.209 4.320 0.004 0.000 0.217 35 A C 1.759 179.333 177.584 -0.017 0.000 1.153 35 A CA 1.495 53.514 52.037 -0.029 0.000 0.692 35 A CB -0.626 18.344 19.000 -0.050 0.000 0.799 35 A HN 0.496 nan 8.150 nan 0.000 0.458 36 D N -0.764 119.644 120.400 0.014 0.000 2.347 36 D HA 0.056 4.698 4.640 0.004 0.000 0.213 36 D C 0.559 176.832 176.300 -0.046 0.000 0.985 36 D CA 0.026 54.030 54.000 0.007 0.000 0.879 36 D CB -0.176 40.663 40.800 0.064 0.000 0.919 36 D HN 0.395 nan 8.370 nan 0.000 0.526 37 L N 1.444 122.608 121.223 -0.099 0.000 2.455 37 L HA 0.095 4.438 4.340 0.004 0.000 0.272 37 L C -0.616 176.134 176.870 -0.201 0.000 1.174 37 L CA 0.083 54.799 54.840 -0.206 0.000 0.869 37 L CB 0.942 42.771 42.059 -0.383 0.000 1.130 37 L HN -0.306 nan 8.230 nan 0.000 0.474 38 V N 6.862 126.661 119.914 -0.193 0.000 2.444 38 V HA 0.471 4.593 4.120 0.004 0.000 0.294 38 V C -0.179 175.807 176.094 -0.180 0.000 1.022 38 V CA -0.567 61.645 62.300 -0.148 0.000 0.850 38 V CB 1.549 33.324 31.823 -0.080 0.000 0.992 38 V HN 0.612 nan 8.190 nan 0.000 0.426 39 L N 2.885 124.001 121.223 -0.178 0.000 2.365 39 L HA 0.545 4.887 4.340 0.004 0.000 0.273 39 L C 0.465 177.289 176.870 -0.077 0.000 1.000 39 L CA -0.538 54.211 54.840 -0.151 0.000 0.819 39 L CB 2.206 44.142 42.059 -0.204 0.000 1.284 39 L HN 0.655 nan 8.230 nan 0.000 0.418 40 S N 1.346 117.021 115.700 -0.042 0.000 2.546 40 S HA 0.272 4.744 4.470 0.004 0.000 0.290 40 S C 1.185 175.781 174.600 -0.008 0.000 1.290 40 S CA 0.807 58.997 58.200 -0.017 0.000 1.069 40 S CB 0.270 63.468 63.200 -0.003 0.000 0.846 40 S HN 1.036 nan 8.310 nan 0.000 0.495 41 G N 4.142 112.942 108.800 -0.000 0.000 2.168 41 G HA2 -0.316 3.646 3.960 0.004 0.000 0.263 41 G HA3 -0.316 3.646 3.960 0.004 0.000 0.263 41 G C 0.209 175.104 174.900 -0.008 0.000 0.977 41 G CA 0.498 45.603 45.100 0.008 0.000 0.659 41 G HN 0.898 nan 8.290 nan 0.000 0.533 42 M N 0.585 120.162 119.600 -0.038 0.000 2.261 42 M HA 0.430 4.912 4.480 0.004 0.000 0.350 42 M C 0.475 176.694 176.300 -0.135 0.000 1.343 42 M CA 0.631 55.867 55.300 -0.107 0.000 1.003 42 M CB 0.115 32.621 32.600 -0.157 0.000 1.848 42 M HN 0.240 nan 8.290 nan 0.000 0.456 43 L N 4.596 125.716 121.223 -0.171 0.000 2.331 43 L HA 0.562 4.904 4.340 0.004 0.000 0.268 43 L C -0.315 176.363 176.870 -0.319 0.000 1.015 43 L CA -1.029 53.742 54.840 -0.115 0.000 0.807 43 L CB 1.654 43.687 42.059 -0.042 0.000 1.293 43 L HN 0.649 nan 8.230 nan 0.000 0.451 44 H N 0.206 119.275 119.070 -0.001 0.000 2.538 44 H HA 0.412 4.970 4.556 0.004 0.000 0.353 44 H C -1.041 174.299 175.328 0.020 0.000 1.109 44 H CA -0.576 55.483 56.048 0.017 0.000 1.192 44 H CB 2.992 32.760 29.762 0.011 0.000 1.555 44 H HN 0.232 nan 8.280 nan 0.000 0.518 45 V N 1.768 121.774 119.914 0.153 0.000 2.547 45 V HA 0.765 4.887 4.120 0.004 0.000 0.299 45 V C -0.645 175.542 176.094 0.155 0.000 1.040 45 V CA -0.326 62.043 62.300 0.115 0.000 0.913 45 V CB 1.161 33.038 31.823 0.091 0.000 0.992 45 V HN 0.956 nan 8.190 nan 0.000 0.449 46 A N 4.416 127.297 122.820 0.102 0.000 2.454 46 A HA 0.914 5.236 4.320 0.004 0.000 0.302 46 A C -0.556 177.074 177.584 0.076 0.000 1.079 46 A CA -0.558 51.540 52.037 0.102 0.000 0.731 46 A CB 2.157 21.199 19.000 0.070 0.000 1.299 46 A HN 0.887 nan 8.150 nan 0.000 0.413 47 S N -0.087 115.662 115.700 0.083 0.000 2.566 47 S HA 0.693 5.165 4.470 0.004 0.000 0.298 47 S C -1.148 173.484 174.600 0.052 0.000 1.083 47 S CA -0.475 57.761 58.200 0.060 0.000 0.978 47 S CB 1.557 64.792 63.200 0.059 0.000 1.073 47 S HN 0.894 nan 8.310 nan 0.000 0.491 48 L N 2.702 123.951 121.223 0.045 0.000 2.313 48 L HA 0.616 4.958 4.340 0.004 0.000 0.283 48 L C -0.517 176.378 176.870 0.042 0.000 1.013 48 L CA -0.091 54.775 54.840 0.044 0.000 0.816 48 L CB 0.816 42.904 42.059 0.048 0.000 1.236 48 L HN 0.633 nan 8.230 nan 0.000 0.419 49 R N 2.271 122.789 120.500 0.030 0.000 2.828 49 R HA 0.571 4.913 4.340 0.004 0.000 0.264 49 R C -0.489 175.801 176.300 -0.016 0.000 1.022 49 R CA -0.924 55.179 56.100 0.005 0.000 1.021 49 R CB 1.685 31.986 30.300 0.002 0.000 1.163 49 R HN 0.678 nan 8.270 nan 0.000 0.494 50 S N 1.739 117.400 115.700 -0.064 0.000 2.533 50 S HA 0.125 4.597 4.470 0.004 0.000 0.282 50 S C -1.604 172.826 174.600 -0.283 0.000 1.304 50 S CA -1.151 56.953 58.200 -0.160 0.000 1.063 50 S CB 0.590 63.702 63.200 -0.147 0.000 0.881 50 S HN 0.477 nan 8.310 nan 0.000 0.493 51 P HA 0.251 nan 4.420 nan 0.000 0.267 51 P C -0.618 176.210 177.300 -0.788 0.000 1.289 51 P CA 0.043 62.738 63.100 -0.676 0.000 0.866 51 P CB -0.025 31.153 31.700 -0.870 0.000 1.309 52 F N -0.717 119.088 119.950 -0.243 0.000 2.546 52 F HA 0.591 5.121 4.527 0.003 0.000 0.320 52 F C 1.712 177.498 175.800 -0.025 0.000 1.076 52 F CA -1.230 56.687 58.000 -0.139 0.000 0.928 52 F CB 1.303 40.168 39.000 -0.224 0.000 1.189 52 F HN -0.286 nan 8.300 nan 0.000 0.465 53 A N 0.859 123.845 122.820 0.276 0.000 1.933 53 A HA -0.114 4.208 4.320 0.004 0.000 0.218 53 A C 0.358 178.089 177.584 0.246 0.000 1.175 53 A CA 1.494 53.676 52.037 0.241 0.000 0.628 53 A CB -0.518 18.617 19.000 0.225 0.000 0.814 53 A HN 0.820 nan 8.150 nan 0.000 0.444 54 H N -2.046 117.090 119.070 0.110 0.000 3.149 54 H HA 0.543 5.101 4.556 0.004 0.000 0.334 54 H C -1.240 174.120 175.328 0.053 0.000 1.000 54 H CA -0.297 55.792 56.048 0.068 0.000 1.415 54 H CB 1.123 30.909 29.762 0.040 0.000 1.819 54 H HN 0.425 nan 8.280 nan 0.000 0.486 55 A N 4.866 127.773 122.820 0.145 0.000 2.604 55 A HA 0.432 4.755 4.320 0.004 0.000 0.295 55 A C -1.350 176.304 177.584 0.118 0.000 1.067 55 A CA -0.847 51.216 52.037 0.044 0.000 0.683 55 A CB 1.933 21.001 19.000 0.114 0.000 1.281 55 A HN 0.746 nan 8.150 nan 0.000 0.407 56 R N 1.309 121.840 120.500 0.052 0.000 2.357 56 R HA 0.567 4.909 4.340 0.004 0.000 0.296 56 R C -0.967 175.396 176.300 0.106 0.000 1.052 56 R CA -0.415 55.719 56.100 0.056 0.000 0.988 56 R CB 0.389 30.683 30.300 -0.010 0.000 1.025 56 R HN 0.640 nan 8.270 nan 0.000 0.469 57 I N 5.863 126.469 120.570 0.061 0.000 2.291 57 I HA 0.021 4.193 4.170 0.004 0.000 0.292 57 I C 1.135 177.207 176.117 -0.075 0.000 1.064 57 I CA -0.371 60.895 61.300 -0.056 0.000 1.269 57 I CB 1.512 39.473 38.000 -0.066 0.000 1.418 57 I HN 0.592 nan 8.210 nan 0.000 0.485 58 V N 4.369 124.224 119.914 -0.098 0.000 2.323 58 V HA -0.083 4.039 4.120 0.004 0.000 0.244 58 V C 0.907 176.953 176.094 -0.079 0.000 1.041 58 V CA 1.333 63.592 62.300 -0.070 0.000 1.025 58 V CB -0.332 31.458 31.823 -0.054 0.000 0.656 58 V HN 0.901 nan 8.190 nan 0.000 0.451 59 S N -1.405 114.226 115.700 -0.114 0.000 2.565 59 S HA 0.716 5.188 4.470 0.004 0.000 0.269 59 S C -1.308 173.220 174.600 -0.120 0.000 1.153 59 S CA -0.752 57.392 58.200 -0.094 0.000 0.835 59 S CB 2.203 65.364 63.200 -0.065 0.000 1.122 59 S HN 0.087 nan 8.310 nan 0.000 0.462 60 I N 1.519 122.037 120.570 -0.085 0.000 2.569 60 I HA 0.464 4.637 4.170 0.004 0.000 0.290 60 I C -1.666 174.427 176.117 -0.041 0.000 1.088 60 I CA -0.390 60.864 61.300 -0.076 0.000 1.047 60 I CB 2.209 40.168 38.000 -0.067 0.000 1.237 60 I HN 0.701 nan 8.210 nan 0.000 0.421 61 D N 5.485 125.866 120.400 -0.031 0.000 2.481 61 D HA 0.388 5.030 4.640 0.004 0.000 0.246 61 D C 0.148 176.446 176.300 -0.003 0.000 1.109 61 D CA -0.351 53.640 54.000 -0.015 0.000 0.845 61 D CB 2.123 42.914 40.800 -0.014 0.000 1.160 61 D HN 0.332 nan 8.370 nan 0.000 0.534 62 V N 1.844 121.762 119.914 0.006 0.000 3.276 62 V HA 0.474 4.596 4.120 0.004 0.000 0.319 62 V C 1.648 177.751 176.094 0.016 0.000 1.427 62 V CA 0.525 62.834 62.300 0.016 0.000 1.102 62 V CB 0.079 31.921 31.823 0.031 0.000 1.020 62 V HN 0.423 nan 8.190 nan 0.000 0.456 63 A N 1.223 124.050 122.820 0.010 0.000 1.865 63 A HA -0.203 4.119 4.320 0.004 0.000 0.217 63 A C 1.886 179.475 177.584 0.008 0.000 1.191 63 A CA 2.499 54.542 52.037 0.009 0.000 0.623 63 A CB -0.726 18.277 19.000 0.005 0.000 0.826 63 A HN 0.528 nan 8.150 nan 0.000 0.444 64 D N -0.114 120.290 120.400 0.007 0.000 2.117 64 D HA -0.051 4.591 4.640 0.004 0.000 0.197 64 D C 2.240 178.544 176.300 0.007 0.000 0.987 64 D CA 1.545 55.549 54.000 0.006 0.000 0.829 64 D CB -0.482 40.321 40.800 0.005 0.000 0.961 64 D HN 0.429 nan 8.370 nan 0.000 0.460 65 A N 0.766 123.592 122.820 0.009 0.000 1.902 65 A HA -0.235 4.087 4.320 0.004 0.000 0.217 65 A C 2.109 179.698 177.584 0.009 0.000 1.181 65 A CA 1.492 53.535 52.037 0.010 0.000 0.623 65 A CB -0.652 18.356 19.000 0.014 0.000 0.818 65 A HN 0.233 nan 8.150 nan 0.000 0.443 66 Q N -0.868 118.939 119.800 0.012 0.000 2.170 66 Q HA -0.046 4.297 4.340 0.004 0.000 0.203 66 Q C 2.182 178.186 176.000 0.007 0.000 0.976 66 Q CA 1.233 57.042 55.803 0.011 0.000 0.858 66 Q CB -0.302 28.448 28.738 0.019 0.000 0.907 66 Q HN 0.691 nan 8.270 nan 0.000 0.433 67 A N 0.395 123.218 122.820 0.006 0.000 2.123 67 A HA 0.039 4.361 4.320 0.004 0.000 0.214 67 A C 0.836 178.422 177.584 0.003 0.000 1.152 67 A CA -0.197 51.843 52.037 0.004 0.000 0.728 67 A CB -0.079 18.923 19.000 0.004 0.000 0.814 67 A HN 0.277 nan 8.150 nan 0.000 0.464 68 L N 2.235 123.460 121.223 0.003 0.000 2.499 68 L HA 0.199 4.541 4.340 0.004 0.000 0.273 68 L C -2.031 174.839 176.870 0.001 0.000 1.195 68 L CA -1.553 53.288 54.840 0.001 0.000 0.882 68 L CB 0.086 42.146 42.059 0.001 0.000 1.133 68 L HN 0.086 nan 8.230 nan 0.000 0.483 69 P HA 0.146 nan 4.420 nan 0.000 0.265 69 P C 0.585 177.885 177.300 -0.000 0.000 1.193 69 P CA 0.822 63.922 63.100 0.000 0.000 0.765 69 P CB 0.884 32.584 31.700 -0.000 0.000 0.823 70 G N 1.373 110.174 108.800 0.001 0.000 2.258 70 G HA2 -0.213 3.749 3.960 0.004 0.000 0.233 70 G HA3 -0.213 3.749 3.960 0.004 0.000 0.233 70 G C -0.031 174.872 174.900 0.004 0.000 1.006 70 G CA -0.047 45.055 45.100 0.003 0.000 0.620 70 G HN 0.554 nan 8.290 nan 0.000 0.511 71 V N 1.854 121.768 119.914 -0.000 0.000 2.555 71 V HA 0.413 4.536 4.120 0.004 0.000 0.286 71 V C 1.143 177.229 176.094 -0.013 0.000 1.044 71 V CA 0.321 62.617 62.300 -0.006 0.000 1.026 71 V CB 1.604 33.424 31.823 -0.005 0.000 0.981 71 V HN 0.335 nan 8.190 nan 0.000 0.480 72 E N 3.641 123.824 120.200 -0.027 0.000 2.413 72 E HA 0.335 4.687 4.350 0.004 0.000 0.203 72 E C -0.012 176.550 176.600 -0.063 0.000 0.957 72 E CA 0.229 56.606 56.400 -0.038 0.000 0.950 72 E CB 1.438 31.113 29.700 -0.041 0.000 0.957 72 E HN 0.600 nan 8.360 nan 0.000 0.497 73 L N -0.433 120.734 121.223 -0.092 0.000 2.672 73 L HA 0.361 4.703 4.340 0.004 0.000 0.256 73 L C -1.976 174.815 176.870 -0.132 0.000 0.946 73 L CA -0.607 54.150 54.840 -0.138 0.000 0.889 73 L CB 2.051 43.930 42.059 -0.300 0.000 1.441 73 L HN -0.321 nan 8.230 nan 0.000 0.418 74 V N 2.641 122.525 119.914 -0.050 0.000 2.569 74 V HA 0.522 4.644 4.120 0.004 0.000 0.301 74 V C -1.356 174.867 176.094 0.214 0.000 1.044 74 V CA -0.318 61.998 62.300 0.026 0.000 0.874 74 V CB 1.821 33.672 31.823 0.046 0.000 1.002 74 V HN 0.616 nan 8.190 nan 0.000 0.424 75 W N 3.853 125.144 121.300 -0.015 0.000 2.689 75 W HA 0.781 5.444 4.660 0.004 0.000 0.340 75 W C 0.275 176.779 176.519 -0.026 0.000 1.060 75 W CA -1.318 56.013 57.345 -0.023 0.000 1.218 75 W CB 1.806 31.248 29.460 -0.029 0.000 1.410 75 W HN 0.855 nan 8.180 nan 0.000 0.528 76 C N -0.883 118.508 119.300 0.150 0.000 2.803 76 C HA 0.851 5.313 4.460 0.004 0.000 0.389 76 C C 1.676 176.660 174.990 -0.009 0.000 1.433 76 C CA 0.002 59.052 59.018 0.054 0.000 1.714 76 C CB 1.187 28.935 27.740 0.014 0.000 2.106 76 C HN 0.867 nan 8.230 nan 0.000 0.480 77 G N 0.348 109.133 108.800 -0.024 0.000 2.469 77 G HA2 -0.015 3.947 3.960 0.004 0.000 0.219 77 G HA3 -0.015 3.947 3.960 0.004 0.000 0.219 77 G C 1.643 176.484 174.900 -0.100 0.000 1.150 77 G CA 1.551 46.620 45.100 -0.052 0.000 0.763 77 G HN 1.466 nan 8.290 nan 0.000 0.561 78 A N 0.967 123.727 122.820 -0.100 0.000 1.933 78 A HA -0.069 4.253 4.320 0.004 0.000 0.218 78 A C 2.101 179.562 177.584 -0.205 0.000 1.175 78 A CA 2.045 54.007 52.037 -0.125 0.000 0.628 78 A CB -0.389 18.553 19.000 -0.096 0.000 0.814 78 A HN 0.320 nan 8.150 nan 0.000 0.444 79 D N -0.179 120.055 120.400 -0.277 0.000 2.097 79 D HA -0.111 4.531 4.640 0.004 0.000 0.195 79 D C 2.102 178.000 176.300 -0.670 0.000 0.989 79 D CA 1.665 55.348 54.000 -0.529 0.000 0.827 79 D CB -0.339 39.992 40.800 -0.782 0.000 0.966 79 D HN 0.261 nan 8.370 nan 0.000 0.456 80 V N 1.714 121.320 119.914 -0.514 0.000 2.379 80 V HA -0.172 3.950 4.120 0.004 0.000 0.245 80 V C 2.616 178.550 176.094 -0.267 0.000 1.044 80 V CA 1.527 63.582 62.300 -0.407 0.000 1.036 80 V CB -0.806 30.911 31.823 -0.176 0.000 0.664 80 V HN 0.148 nan 8.190 nan 0.000 0.453 81 A N -0.042 122.656 122.820 -0.203 0.000 2.032 81 A HA -0.312 4.010 4.320 0.004 0.000 0.221 81 A C 2.280 179.774 177.584 -0.150 0.000 1.165 81 A CA 2.110 54.058 52.037 -0.148 0.000 0.645 81 A CB -0.552 18.378 19.000 -0.117 0.000 0.807 81 A HN 0.687 nan 8.150 nan 0.000 0.453 82 E N -0.326 119.758 120.200 -0.194 0.000 2.204 82 E HA -0.108 4.244 4.350 0.004 0.000 0.194 82 E C 1.584 178.089 176.600 -0.158 0.000 0.989 82 E CA 1.016 57.313 56.400 -0.172 0.000 0.824 82 E CB -0.118 29.458 29.700 -0.207 0.000 0.756 82 E HN 0.684 nan 8.360 nan 0.000 0.477 83 L N -0.629 120.480 121.223 -0.189 0.000 2.470 83 L HA 0.226 4.568 4.340 0.004 0.000 0.219 83 L C 0.875 177.694 176.870 -0.085 0.000 1.071 83 L CA -0.120 54.638 54.840 -0.138 0.000 0.850 83 L CB 0.848 42.806 42.059 -0.168 0.000 1.040 83 L HN -0.093 nan 8.230 nan 0.000 0.475 84 S N -0.688 114.955 115.700 -0.095 0.000 2.548 84 S HA 0.134 4.607 4.470 0.004 0.000 0.278 84 S C 0.055 174.598 174.600 -0.095 0.000 1.150 84 S CA -0.658 57.503 58.200 -0.065 0.000 0.907 84 S CB 1.548 64.724 63.200 -0.040 0.000 1.108 84 S HN 0.338 nan 8.310 nan 0.000 0.459 85 Q N 2.830 122.574 119.800 -0.093 0.000 2.435 85 Q HA 0.465 4.807 4.340 0.004 0.000 0.207 85 Q C 1.044 176.940 176.000 -0.173 0.000 0.956 85 Q CA 0.724 56.459 55.803 -0.112 0.000 0.917 85 Q CB -0.088 28.598 28.738 -0.086 0.000 0.997 85 Q HN 1.395 nan 8.270 nan 0.000 0.497 86 G N 0.831 109.490 108.800 -0.235 0.000 2.352 86 G HA2 -0.083 3.880 3.960 0.004 0.000 0.324 86 G HA3 -0.083 3.880 3.960 0.004 0.000 0.324 86 G C -1.164 173.329 174.900 -0.678 0.000 1.249 86 G CA -0.529 44.364 45.100 -0.344 0.000 1.053 86 G HN 0.212 nan 8.290 nan 0.000 0.492 87 I N 1.092 121.271 120.570 -0.652 0.000 2.312 87 I HA 0.376 4.548 4.170 0.004 0.000 0.291 87 I C 0.448 176.212 176.117 -0.588 0.000 1.031 87 I CA -0.687 60.082 61.300 -0.885 0.000 1.293 87 I CB 1.289 39.046 38.000 -0.406 0.000 1.403 87 I HN 0.299 nan 8.210 nan 0.000 0.484 88 V N 6.500 126.023 119.914 -0.652 0.000 2.406 88 V HA 0.517 4.639 4.120 0.004 0.000 0.272 88 V C 0.489 176.621 176.094 0.063 0.000 1.043 88 V CA -0.369 61.848 62.300 -0.138 0.000 0.915 88 V CB 1.141 32.982 31.823 0.030 0.000 0.988 88 V HN 0.828 nan 8.190 nan 0.000 0.466 89 A N 4.299 127.169 122.820 0.084 0.000 2.319 89 A HA 0.858 5.180 4.320 0.004 0.000 0.310 89 A C 0.065 177.782 177.584 0.221 0.000 1.152 89 A CA -0.309 51.815 52.037 0.144 0.000 0.783 89 A CB 1.360 20.446 19.000 0.144 0.000 1.184 89 A HN 0.900 nan 8.150 nan 0.000 0.474 90 T N -0.584 114.067 114.554 0.162 0.000 2.887 90 T HA 0.857 5.209 4.350 0.004 0.000 0.292 90 T C -0.572 174.036 174.700 -0.154 0.000 1.087 90 T CA -0.840 61.357 62.100 0.161 0.000 1.009 90 T CB 1.524 70.469 68.868 0.128 0.000 1.203 90 T HN 0.481 nan 8.240 nan 0.000 0.518 91 M N 1.535 120.900 119.600 -0.393 0.000 2.371 91 M HA 0.320 4.802 4.480 0.004 0.000 0.287 91 M C -1.128 175.001 176.300 -0.286 0.000 1.149 91 M CA -0.516 54.444 55.300 -0.567 0.000 0.929 91 M CB 2.619 34.457 32.600 -1.269 0.000 1.683 91 M HN 0.688 nan 8.290 nan 0.000 0.470 92 Q N 2.460 122.164 119.800 -0.160 0.000 3.184 92 Q HA 0.372 4.714 4.340 0.004 0.000 0.288 92 Q C -0.848 175.123 176.000 -0.049 0.000 1.412 92 Q CA -0.001 55.768 55.803 -0.056 0.000 0.991 92 Q CB -0.355 28.371 28.738 -0.019 0.000 1.688 92 Q HN 0.386 nan 8.270 nan 0.000 0.554 93 V N 0.670 120.557 119.914 -0.044 0.000 2.577 93 V HA 0.165 4.288 4.120 0.004 0.000 0.303 93 V C 0.218 176.377 176.094 0.110 0.000 1.042 93 V CA -1.066 61.245 62.300 0.019 0.000 0.872 93 V CB 2.349 34.138 31.823 -0.055 0.000 0.998 93 V HN 0.479 nan 8.190 nan 0.000 0.423 94 E N 3.013 123.274 120.200 0.101 0.000 2.558 94 E HA 0.241 4.593 4.350 0.004 0.000 0.255 94 E C 1.305 177.980 176.600 0.125 0.000 0.968 94 E CA 1.243 57.703 56.400 0.100 0.000 0.939 94 E CB 0.373 30.120 29.700 0.078 0.000 0.921 94 E HN 1.149 nan 8.360 nan 0.000 0.477 95 G N 4.039 112.907 108.800 0.112 0.000 2.212 95 G HA2 -0.344 3.618 3.960 0.004 0.000 0.266 95 G HA3 -0.344 3.618 3.960 0.004 0.000 0.266 95 G C 0.069 175.037 174.900 0.112 0.000 0.978 95 G CA 0.168 45.325 45.100 0.095 0.000 0.632 95 G HN 0.604 nan 8.290 nan 0.000 0.537 96 F N 2.483 122.445 119.950 0.019 0.000 2.578 96 F HA 0.454 4.983 4.527 0.004 0.000 0.376 96 F C 0.884 176.692 175.800 0.013 0.000 1.085 96 F CA 0.181 58.188 58.000 0.011 0.000 1.260 96 F CB 0.577 39.575 39.000 -0.004 0.000 1.095 96 F HN 0.223 nan 8.300 nan 0.000 0.573 97 Q N 4.943 124.318 119.800 -0.709 0.000 2.360 97 Q HA 0.181 4.523 4.340 0.004 0.000 0.254 97 Q C -0.097 175.602 176.000 -0.502 0.000 0.975 97 Q CA -0.517 55.018 55.803 -0.448 0.000 0.912 97 Q CB 1.101 29.644 28.738 -0.325 0.000 1.212 97 Q HN 0.651 nan 8.270 nan 0.000 0.452 98 T N 2.548 117.042 114.554 -0.101 0.000 2.930 98 T HA 0.167 4.519 4.350 0.004 0.000 0.306 98 T C 0.393 175.099 174.700 0.010 0.000 1.045 98 T CA 0.100 62.241 62.100 0.068 0.000 1.134 98 T CB 0.486 69.428 68.868 0.122 0.000 0.961 98 T HN 0.634 nan 8.240 nan 0.000 0.545 99 T N 0.157 114.749 114.554 0.064 0.000 2.907 99 T HA 0.738 5.091 4.350 0.004 0.000 0.292 99 T C -0.556 174.179 174.700 0.058 0.000 1.043 99 T CA -0.935 61.211 62.100 0.077 0.000 1.003 99 T CB 1.078 70.032 68.868 0.145 0.000 1.084 99 T HN 0.446 nan 8.240 nan 0.000 0.483 100 I N 1.882 122.476 120.570 0.040 0.000 2.448 100 I HA 0.297 4.470 4.170 0.004 0.000 0.281 100 I C -0.081 175.950 176.117 -0.142 0.000 1.027 100 I CA -0.672 60.586 61.300 -0.072 0.000 1.111 100 I CB 1.855 39.816 38.000 -0.066 0.000 1.236 100 I HN 0.692 nan 8.210 nan 0.000 0.452 101 Q N 8.999 128.600 119.800 -0.331 0.000 2.337 101 Q HA 0.342 4.684 4.340 0.004 0.000 0.255 101 Q C -2.285 173.435 176.000 -0.467 0.000 0.997 101 Q CA -1.718 53.651 55.803 -0.723 0.000 0.925 101 Q CB 1.217 29.453 28.738 -0.837 0.000 1.212 101 Q HN 0.288 nan 8.270 nan 0.000 0.436 102 P HA -0.048 nan 4.420 nan 0.000 0.271 102 P C 0.428 177.606 177.300 -0.204 0.000 1.216 102 P CA 0.134 63.106 63.100 -0.213 0.000 0.776 102 P CB 1.008 32.638 31.700 -0.116 0.000 0.881 103 L N 0.849 121.978 121.223 -0.157 0.000 2.083 103 L HA -0.091 4.251 4.340 0.004 0.000 0.209 103 L C 0.962 177.782 176.870 -0.083 0.000 1.083 103 L CA 1.543 56.311 54.840 -0.119 0.000 0.752 103 L CB -0.491 41.517 42.059 -0.086 0.000 0.899 103 L HN 0.343 nan 8.230 nan 0.000 0.433 104 L N -1.099 120.083 121.223 -0.067 0.000 2.401 104 L HA 0.542 4.884 4.340 0.004 0.000 0.266 104 L C 0.070 176.920 176.870 -0.033 0.000 0.991 104 L CA -0.342 54.475 54.840 -0.038 0.000 0.818 104 L CB 1.612 43.666 42.059 -0.008 0.000 1.321 104 L HN -0.119 nan 8.230 nan 0.000 0.413 105 A N 2.045 124.856 122.820 -0.014 0.000 2.520 105 A HA 0.240 4.562 4.320 0.004 0.000 0.235 105 A C 0.085 177.676 177.584 0.011 0.000 1.065 105 A CA 0.185 52.232 52.037 0.017 0.000 0.764 105 A CB -0.156 18.868 19.000 0.040 0.000 1.002 105 A HN 0.818 nan 8.150 nan 0.000 0.502 106 N N 0.883 119.594 118.700 0.018 0.000 2.648 106 N HA 0.435 5.177 4.740 0.004 0.000 0.261 106 N C 0.592 176.109 175.510 0.013 0.000 1.138 106 N CA 0.326 53.375 53.050 -0.001 0.000 0.804 106 N CB 0.367 38.841 38.487 -0.022 0.000 1.237 106 N HN 1.241 nan 8.380 nan 0.000 0.532 107 G N 1.117 109.925 108.800 0.013 0.000 2.253 107 G HA2 -0.234 3.728 3.960 0.004 0.000 0.251 107 G HA3 -0.234 3.728 3.960 0.004 0.000 0.251 107 G C -0.211 174.719 174.900 0.050 0.000 0.998 107 G CA 0.387 45.496 45.100 0.016 0.000 0.621 107 G HN 0.775 nan 8.290 nan 0.000 0.524 108 V N 1.338 121.303 119.914 0.084 0.000 2.852 108 V HA 0.707 4.829 4.120 0.004 0.000 0.300 108 V C -0.152 176.039 176.094 0.162 0.000 1.205 108 V CA 0.672 63.052 62.300 0.133 0.000 0.940 108 V CB 2.069 33.974 31.823 0.136 0.000 1.047 108 V HN 1.236 nan 8.190 nan 0.000 0.429 109 T N 3.462 118.138 114.554 0.203 0.000 2.867 109 T HA 0.622 4.975 4.350 0.004 0.000 0.282 109 T C 0.341 175.144 174.700 0.172 0.000 1.000 109 T CA -0.752 61.434 62.100 0.143 0.000 1.042 109 T CB 1.791 70.731 68.868 0.119 0.000 0.973 109 T HN 0.758 nan 8.240 nan 0.000 0.465 110 R N 0.891 121.440 120.500 0.081 0.000 2.508 110 R HA 0.367 4.709 4.340 0.004 0.000 0.300 110 R C -0.783 175.626 176.300 0.181 0.000 0.970 110 R CA -0.287 55.845 56.100 0.053 0.000 1.102 110 R CB 0.200 30.460 30.300 -0.068 0.000 1.246 110 R HN 0.769 nan 8.270 nan 0.000 0.539 111 F N -3.891 116.098 119.950 0.066 0.000 2.725 111 F HA 0.255 4.784 4.527 0.004 0.000 0.311 111 F C -0.979 174.897 175.800 0.127 0.000 1.121 111 F CA -1.513 56.534 58.000 0.078 0.000 0.978 111 F CB 0.587 39.617 39.000 0.050 0.000 1.274 111 F HN -0.394 nan 8.300 nan 0.000 0.440 112 V N 3.562 123.677 119.914 0.334 0.000 2.493 112 V HA 0.419 4.541 4.120 0.004 0.000 0.292 112 V C 1.076 177.326 176.094 0.261 0.000 1.016 112 V CA 1.710 64.127 62.300 0.195 0.000 1.097 112 V CB 0.132 32.091 31.823 0.227 0.000 0.947 112 V HN 1.675 nan 8.190 nan 0.000 0.479 113 G N 3.556 112.380 108.800 0.040 0.000 2.231 113 G HA2 -0.189 3.773 3.960 0.004 0.000 0.206 113 G HA3 -0.189 3.773 3.960 0.004 0.000 0.206 113 G C 0.214 175.068 174.900 -0.077 0.000 0.996 113 G CA 0.113 45.274 45.100 0.101 0.000 0.645 113 G HN 0.695 nan 8.290 nan 0.000 0.498 114 E N 0.713 120.537 120.200 -0.627 0.000 2.413 114 E HA 0.377 4.729 4.350 0.004 0.000 0.263 114 E C 0.605 177.066 176.600 -0.232 0.000 1.015 114 E CA -0.482 55.475 56.400 -0.738 0.000 0.916 114 E CB 0.249 29.300 29.700 -1.082 0.000 0.947 114 E HN 0.380 nan 8.360 nan 0.000 0.440 115 I N 5.012 125.516 120.570 -0.109 0.000 2.533 115 I HA -0.056 4.117 4.170 0.004 0.000 0.284 115 I C 1.291 177.397 176.117 -0.017 0.000 1.109 115 I CA -0.204 61.074 61.300 -0.036 0.000 1.412 115 I CB 0.800 38.786 38.000 -0.023 0.000 1.396 115 I HN 0.491 nan 8.210 nan 0.000 0.543 116 V N 2.957 122.883 119.914 0.020 0.000 3.523 116 V HA 0.591 4.713 4.120 0.004 0.000 0.255 116 V C 0.622 176.740 176.094 0.040 0.000 1.226 116 V CA 0.473 62.799 62.300 0.043 0.000 1.092 116 V CB 0.146 32.029 31.823 0.099 0.000 0.817 116 V HN 0.755 nan 8.190 nan 0.000 0.458 117 A N 0.346 123.194 122.820 0.046 0.000 2.604 117 A HA 0.820 5.142 4.320 0.004 0.000 0.295 117 A C -0.981 176.639 177.584 0.059 0.000 1.067 117 A CA 0.037 52.111 52.037 0.062 0.000 0.683 117 A CB 1.979 21.011 19.000 0.054 0.000 1.281 117 A HN 1.408 nan 8.150 nan 0.000 0.407 118 V N -1.050 118.910 119.914 0.077 0.000 2.789 118 V HA 0.922 5.044 4.120 0.004 0.000 0.311 118 V C -0.807 175.292 176.094 0.007 0.000 1.073 118 V CA -0.794 61.529 62.300 0.038 0.000 0.921 118 V CB 1.316 33.153 31.823 0.023 0.000 1.009 118 V HN 0.952 nan 8.190 nan 0.000 0.426 119 V N 3.807 123.716 119.914 -0.008 0.000 2.604 119 V HA 0.651 4.773 4.120 0.004 0.000 0.305 119 V C -0.351 175.718 176.094 -0.042 0.000 1.043 119 V CA -0.559 61.725 62.300 -0.028 0.000 0.888 119 V CB 2.001 33.825 31.823 0.002 0.000 0.995 119 V HN 0.826 nan 8.190 nan 0.000 0.429 120 V N 3.679 123.544 119.914 -0.082 0.000 2.409 120 V HA 0.928 5.050 4.120 0.004 0.000 0.291 120 V C 0.236 176.314 176.094 -0.026 0.000 1.020 120 V CA -0.070 62.191 62.300 -0.065 0.000 0.848 120 V CB 1.329 33.064 31.823 -0.146 0.000 0.990 120 V HN 1.108 nan 8.190 nan 0.000 0.430 121 A N 3.185 126.022 122.820 0.029 0.000 2.552 121 A HA 0.720 5.043 4.320 0.004 0.000 0.288 121 A C 0.960 178.599 177.584 0.092 0.000 1.193 121 A CA 0.207 52.266 52.037 0.038 0.000 0.713 121 A CB 1.301 20.315 19.000 0.024 0.000 1.305 121 A HN 1.016 nan 8.150 nan 0.000 0.424 122 S N -0.338 115.401 115.700 0.065 0.000 2.469 122 S HA 0.125 4.597 4.470 0.004 0.000 0.238 122 S C 0.782 175.438 174.600 0.094 0.000 0.998 122 S CA 1.258 59.511 58.200 0.088 0.000 0.957 122 S CB -0.693 62.529 63.200 0.036 0.000 0.764 122 S HN 2.163 nan 8.310 nan 0.000 0.514 123 S N -0.672 115.014 115.700 -0.023 0.000 2.596 123 S HA 0.661 5.133 4.470 0.004 0.000 0.270 123 S C 0.064 174.519 174.600 -0.242 0.000 1.155 123 S CA -0.869 57.134 58.200 -0.329 0.000 0.827 123 S CB 1.841 64.903 63.200 -0.229 0.000 1.130 123 S HN 0.111 nan 8.310 nan 0.000 0.467 124 R N 1.335 121.608 120.500 -0.379 0.000 2.096 124 R HA 0.149 4.492 4.340 0.004 0.000 0.235 124 R C 2.200 178.463 176.300 -0.061 0.000 1.127 124 R CA 2.392 58.429 56.100 -0.104 0.000 0.968 124 R CB -1.362 28.890 30.300 -0.081 0.000 0.861 124 R HN 0.862 nan 8.270 nan 0.000 0.440 125 A N 0.583 123.349 122.820 -0.091 0.000 1.877 125 A HA -0.090 4.233 4.320 0.004 0.000 0.216 125 A C 2.319 179.883 177.584 -0.034 0.000 1.186 125 A CA 1.720 53.725 52.037 -0.053 0.000 0.620 125 A CB -0.601 18.363 19.000 -0.059 0.000 0.822 125 A HN 0.381 nan 8.150 nan 0.000 0.443 126 I N -0.332 120.214 120.570 -0.040 0.000 2.394 126 I HA -0.231 3.941 4.170 0.004 0.000 0.251 126 I C 2.899 179.012 176.117 -0.006 0.000 1.136 126 I CA 0.843 62.130 61.300 -0.021 0.000 1.425 126 I CB -0.282 37.706 38.000 -0.021 0.000 1.079 126 I HN 0.361 nan 8.210 nan 0.000 0.425 127 A N 0.582 123.402 122.820 0.001 0.000 1.933 127 A HA -0.213 4.109 4.320 0.004 0.000 0.218 127 A C 2.207 179.802 177.584 0.018 0.000 1.175 127 A CA 1.597 53.646 52.037 0.019 0.000 0.628 127 A CB -0.484 18.544 19.000 0.046 0.000 0.814 127 A HN 0.438 nan 8.150 nan 0.000 0.444 128 E N -0.213 119.996 120.200 0.014 0.000 2.106 128 E HA -0.159 4.193 4.350 0.004 0.000 0.192 128 E C 1.358 177.963 176.600 0.010 0.000 0.984 128 E CA 0.960 57.369 56.400 0.016 0.000 0.806 128 E CB -0.189 29.518 29.700 0.012 0.000 0.750 128 E HN 0.524 nan 8.360 nan 0.000 0.458 129 D N 0.817 121.218 120.400 0.003 0.000 2.123 129 D HA -0.161 4.481 4.640 0.004 0.000 0.196 129 D C 1.893 178.196 176.300 0.005 0.000 0.992 129 D CA 1.402 55.403 54.000 0.001 0.000 0.833 129 D CB -0.235 40.563 40.800 -0.003 0.000 0.954 129 D HN 0.161 nan 8.370 nan 0.000 0.455 130 A N 1.011 123.835 122.820 0.006 0.000 1.898 130 A HA 0.015 4.337 4.320 0.004 0.000 0.216 130 A C 2.328 179.919 177.584 0.013 0.000 1.181 130 A CA 2.025 54.067 52.037 0.008 0.000 0.620 130 A CB -0.699 18.305 19.000 0.007 0.000 0.819 130 A HN 0.224 nan 8.150 nan 0.000 0.442 131 A N -0.382 122.448 122.820 0.017 0.000 1.940 131 A HA -0.243 4.079 4.320 0.004 0.000 0.219 131 A C 2.027 179.624 177.584 0.020 0.000 1.176 131 A CA 1.654 53.704 52.037 0.022 0.000 0.631 131 A CB -0.583 18.433 19.000 0.028 0.000 0.814 131 A HN 0.672 nan 8.150 nan 0.000 0.446 132 Q N -0.716 119.094 119.800 0.016 0.000 2.488 132 Q HA 0.094 4.436 4.340 0.004 0.000 0.211 132 Q C 1.472 177.479 176.000 0.013 0.000 0.967 132 Q CA 0.540 56.352 55.803 0.014 0.000 0.926 132 Q CB -0.139 28.605 28.738 0.010 0.000 0.992 132 Q HN 0.688 nan 8.270 nan 0.000 0.506 133 L N 0.174 121.404 121.223 0.012 0.000 2.529 133 L HA 0.157 4.499 4.340 0.004 0.000 0.223 133 L C 0.826 177.703 176.870 0.012 0.000 1.113 133 L CA -0.109 54.737 54.840 0.011 0.000 0.861 133 L CB 0.199 42.263 42.059 0.008 0.000 1.012 133 L HN 0.143 nan 8.230 nan 0.000 0.461 134 I N 1.265 121.844 120.570 0.015 0.000 2.556 134 I HA -0.004 4.168 4.170 0.004 0.000 0.284 134 I C 0.097 176.221 176.117 0.011 0.000 1.114 134 I CA 0.150 61.458 61.300 0.013 0.000 1.418 134 I CB 0.528 38.540 38.000 0.019 0.000 1.394 134 I HN 0.128 nan 8.210 nan 0.000 0.552 135 Q N 6.336 126.136 119.800 0.000 0.000 2.322 135 Q HA 0.537 4.879 4.340 0.004 0.000 0.265 135 Q C -0.923 175.055 176.000 -0.037 0.000 0.985 135 Q CA -0.598 55.202 55.803 -0.005 0.000 0.849 135 Q CB 2.590 31.325 28.738 -0.004 0.000 1.274 135 Q HN 0.383 nan 8.270 nan 0.000 0.449 136 V N 1.564 121.446 119.914 -0.052 0.000 2.588 136 V HA 0.366 4.488 4.120 0.004 0.000 0.304 136 V C -0.274 175.697 176.094 -0.205 0.000 1.042 136 V CA -0.871 61.314 62.300 -0.191 0.000 0.877 136 V CB 2.223 33.857 31.823 -0.315 0.000 0.996 136 V HN 0.712 nan 8.190 nan 0.000 0.425 137 E N 3.139 123.192 120.200 -0.246 0.000 2.151 137 E HA 0.551 4.903 4.350 0.004 0.000 0.275 137 E C -1.774 174.702 176.600 -0.207 0.000 0.936 137 E CA -0.438 55.889 56.400 -0.121 0.000 0.777 137 E CB 1.163 30.827 29.700 -0.060 0.000 1.108 137 E HN 0.632 nan 8.360 nan 0.000 0.401 138 Y N 1.765 122.115 120.300 0.084 0.000 2.567 138 Y HA 0.325 4.877 4.550 0.004 0.000 0.333 138 Y C 0.041 175.902 175.900 -0.064 0.000 1.106 138 Y CA -0.849 57.284 58.100 0.055 0.000 1.157 138 Y CB 1.827 40.409 38.460 0.204 0.000 1.277 138 Y HN 0.483 nan 8.280 nan 0.000 0.490 139 E N 1.861 122.107 120.200 0.075 0.000 2.518 139 E HA 0.165 4.517 4.350 0.004 0.000 0.240 139 E C -1.213 175.301 176.600 -0.144 0.000 0.996 139 E CA -0.355 56.010 56.400 -0.059 0.000 0.768 139 E CB 0.641 30.314 29.700 -0.045 0.000 1.329 139 E HN 0.692 nan 8.360 nan 0.000 0.408 140 E N 3.203 123.222 120.200 -0.302 0.000 2.481 140 E HA 0.049 4.401 4.350 0.004 0.000 0.263 140 E C -0.275 176.196 176.600 -0.215 0.000 0.992 140 E CA 0.620 56.813 56.400 -0.345 0.000 0.938 140 E CB 0.787 30.202 29.700 -0.476 0.000 0.933 140 E HN 0.460 nan 8.360 nan 0.000 0.453 141 L N 4.228 125.318 121.223 -0.222 0.000 2.323 141 L HA 0.467 4.810 4.340 0.004 0.000 0.265 141 L C -2.135 174.670 176.870 -0.108 0.000 1.012 141 L CA -2.409 52.283 54.840 -0.246 0.000 0.820 141 L CB 1.658 43.376 42.059 -0.568 0.000 1.334 141 L HN 0.408 nan 8.230 nan 0.000 0.427 142 P HA 0.133 nan 4.420 nan 0.000 0.267 142 P C -1.100 176.302 177.300 0.171 0.000 1.205 142 P CA -0.097 63.034 63.100 0.052 0.000 0.765 142 P CB 1.101 32.822 31.700 0.034 0.000 0.828 143 A N 3.486 126.396 122.820 0.150 0.000 2.337 143 A HA 0.487 4.809 4.320 0.004 0.000 0.331 143 A C -0.335 177.280 177.584 0.052 0.000 1.137 143 A CA -0.767 51.362 52.037 0.153 0.000 0.807 143 A CB 1.178 20.270 19.000 0.153 0.000 1.250 143 A HN 0.345 nan 8.150 nan 0.000 0.468 144 V N 2.509 122.419 119.914 -0.007 0.000 2.372 144 V HA 0.178 4.300 4.120 0.004 0.000 0.261 144 V C 1.463 177.522 176.094 -0.058 0.000 1.055 144 V CA 0.735 63.010 62.300 -0.041 0.000 0.930 144 V CB 0.233 32.011 31.823 -0.075 0.000 1.031 144 V HN 1.093 nan 8.190 nan 0.000 0.479 145 T N 0.908 115.435 114.554 -0.044 0.000 3.129 145 T HA 0.429 4.781 4.350 0.004 0.000 0.251 145 T C 0.730 175.393 174.700 -0.063 0.000 1.117 145 T CA 0.467 62.536 62.100 -0.051 0.000 1.034 145 T CB 0.306 69.154 68.868 -0.033 0.000 0.968 145 T HN 0.925 nan 8.240 nan 0.000 0.526 146 G N -0.239 108.525 108.800 -0.060 0.000 2.441 146 G HA2 0.479 4.441 3.960 0.004 0.000 0.294 146 G HA3 0.479 4.441 3.960 0.004 0.000 0.294 146 G C 0.121 174.996 174.900 -0.042 0.000 1.393 146 G CA -0.638 44.433 45.100 -0.049 0.000 0.796 146 G HN 0.105 nan 8.290 nan 0.000 0.494 147 I N -0.058 120.495 120.570 -0.028 0.000 2.163 147 I HA -0.172 4.001 4.170 0.004 0.000 0.243 147 I C 2.644 178.749 176.117 -0.021 0.000 1.085 147 I CA 2.009 63.296 61.300 -0.021 0.000 1.347 147 I CB 0.010 38.006 38.000 -0.006 0.000 1.044 147 I HN 0.804 nan 8.210 nan 0.000 0.408 148 E N 0.996 121.185 120.200 -0.020 0.000 2.038 148 E HA -0.276 4.076 4.350 0.004 0.000 0.195 148 E C 2.266 178.852 176.600 -0.024 0.000 1.000 148 E CA 1.525 57.913 56.400 -0.020 0.000 0.803 148 E CB -0.074 29.614 29.700 -0.021 0.000 0.750 148 E HN 0.496 nan 8.360 nan 0.000 0.448 149 A N 1.109 123.912 122.820 -0.028 0.000 1.902 149 A HA -0.117 4.206 4.320 0.004 0.000 0.217 149 A C 2.382 179.948 177.584 -0.030 0.000 1.181 149 A CA 1.865 53.885 52.037 -0.029 0.000 0.623 149 A CB -0.769 18.212 19.000 -0.033 0.000 0.818 149 A HN 0.421 nan 8.150 nan 0.000 0.443 150 A N -0.948 121.850 122.820 -0.035 0.000 1.908 150 A HA -0.030 4.293 4.320 0.004 0.000 0.218 150 A C 2.015 179.581 177.584 -0.031 0.000 1.181 150 A CA 1.813 53.826 52.037 -0.040 0.000 0.627 150 A CB -0.429 18.542 19.000 -0.048 0.000 0.818 150 A HN 0.413 nan 8.150 nan 0.000 0.445 151 L N -0.916 120.292 121.223 -0.025 0.000 2.209 151 L HA 0.076 4.418 4.340 0.004 0.000 0.207 151 L C 1.872 178.731 176.870 -0.017 0.000 1.094 151 L CA 1.763 56.592 54.840 -0.019 0.000 0.790 151 L CB -0.491 41.559 42.059 -0.015 0.000 0.932 151 L HN 0.486 nan 8.230 nan 0.000 0.447 152 E N -1.718 118.471 120.200 -0.018 0.000 2.511 152 E HA 0.224 4.576 4.350 0.004 0.000 0.209 152 E C 0.891 177.481 176.600 -0.016 0.000 0.986 152 E CA 0.117 56.507 56.400 -0.016 0.000 0.974 152 E CB 0.461 30.151 29.700 -0.016 0.000 1.030 152 E HN 0.346 nan 8.360 nan 0.000 0.490 153 G N 0.750 109.539 108.800 -0.017 0.000 2.522 153 G HA2 0.066 4.028 3.960 0.004 0.000 0.304 153 G HA3 0.066 4.028 3.960 0.004 0.000 0.304 153 G C 0.234 175.127 174.900 -0.011 0.000 1.210 153 G CA -0.338 44.753 45.100 -0.014 0.000 0.960 153 G HN 0.051 nan 8.290 nan 0.000 0.497 154 E N -0.389 119.808 120.200 -0.006 0.000 2.190 154 E HA 0.206 4.558 4.350 0.004 0.000 0.191 154 E C 1.544 178.146 176.600 0.003 0.000 0.978 154 E CA 0.241 56.639 56.400 -0.003 0.000 0.839 154 E CB 0.041 29.741 29.700 -0.001 0.000 0.787 154 E HN 0.566 nan 8.360 nan 0.000 0.473 155 A N 1.587 124.413 122.820 0.009 0.000 2.498 155 A HA 0.106 4.428 4.320 0.004 0.000 0.239 155 A C 0.076 177.666 177.584 0.010 0.000 1.068 155 A CA 0.136 52.189 52.037 0.027 0.000 0.766 155 A CB 0.258 19.285 19.000 0.044 0.000 1.003 155 A HN 0.288 nan 8.150 nan 0.000 0.497 156 R N 2.484 122.997 120.500 0.022 0.000 2.343 156 R HA 0.509 4.851 4.340 0.004 0.000 0.320 156 R C 0.928 177.184 176.300 -0.074 0.000 0.956 156 R CA 0.114 56.202 56.100 -0.020 0.000 0.836 156 R CB 1.079 31.375 30.300 -0.007 0.000 1.151 156 R HN 0.815 nan 8.270 nan 0.000 0.450 157 A N 4.079 126.814 122.820 -0.143 0.000 1.865 157 A HA -0.180 4.142 4.320 0.004 0.000 0.217 157 A C 0.827 178.203 177.584 -0.347 0.000 1.191 157 A CA 1.486 53.361 52.037 -0.271 0.000 0.623 157 A CB -0.371 18.495 19.000 -0.223 0.000 0.826 157 A HN 0.815 nan 8.150 nan 0.000 0.444 158 N N -0.073 118.489 118.700 -0.230 0.000 2.518 158 N HA 0.243 4.986 4.740 0.004 0.000 0.254 158 N C -0.333 175.125 175.510 -0.087 0.000 0.979 158 N CA -0.071 52.861 53.050 -0.196 0.000 0.930 158 N CB 0.869 39.219 38.487 -0.227 0.000 1.152 158 N HN 0.272 nan 8.380 nan 0.000 0.505 159 D N 1.772 122.154 120.400 -0.029 0.000 2.392 159 D HA -0.144 4.498 4.640 0.004 0.000 0.228 159 D C 1.282 177.589 176.300 0.010 0.000 1.003 159 D CA 0.765 54.772 54.000 0.013 0.000 0.917 159 D CB -0.258 40.578 40.800 0.059 0.000 0.890 159 D HN 0.560 nan 8.370 nan 0.000 0.532 160 T N -2.681 111.877 114.554 0.006 0.000 3.081 160 T HA 0.219 4.572 4.350 0.004 0.000 0.250 160 T C 0.946 175.642 174.700 -0.006 0.000 1.100 160 T CA -0.354 61.754 62.100 0.013 0.000 1.038 160 T CB -0.032 68.858 68.868 0.036 0.000 0.962 160 T HN 0.080 nan 8.240 nan 0.000 0.516 161 L N 0.785 121.992 121.223 -0.026 0.000 2.365 161 L HA 0.756 5.098 4.340 0.004 0.000 0.267 161 L C 0.224 177.071 176.870 -0.037 0.000 1.033 161 L CA -1.556 53.258 54.840 -0.043 0.000 0.802 161 L CB 1.174 43.189 42.059 -0.073 0.000 1.267 161 L HN 0.060 nan 8.230 nan 0.000 0.457 162 A N 1.154 123.949 122.820 -0.041 0.000 2.736 162 A HA 0.646 4.968 4.320 0.004 0.000 0.335 162 A C 0.409 177.970 177.584 -0.038 0.000 1.446 162 A CA 0.220 52.238 52.037 -0.031 0.000 1.028 162 A CB -0.491 18.494 19.000 -0.025 0.000 1.154 162 A HN 0.960 nan 8.150 nan 0.000 0.507 163 G N 1.743 110.521 108.800 -0.037 0.000 2.728 163 G HA2 -0.199 3.763 3.960 0.004 0.000 0.294 163 G HA3 -0.199 3.763 3.960 0.004 0.000 0.294 163 G C 0.155 175.021 174.900 -0.057 0.000 1.342 163 G CA -0.096 44.981 45.100 -0.040 0.000 0.866 163 G HN 0.583 nan 8.290 nan 0.000 0.534 164 N N -0.984 117.682 118.700 -0.056 0.000 2.236 164 N HA 0.123 4.865 4.740 0.004 0.000 0.196 164 N C 0.717 176.184 175.510 -0.071 0.000 1.114 164 N CA 0.553 53.561 53.050 -0.071 0.000 0.859 164 N CB 0.969 39.418 38.487 -0.064 0.000 0.982 164 N HN 0.448 nan 8.380 nan 0.000 0.493 165 V N 2.142 122.020 119.914 -0.060 0.000 2.356 165 V HA 0.073 4.195 4.120 0.004 0.000 0.258 165 V C 1.651 177.691 176.094 -0.090 0.000 1.065 165 V CA -0.046 62.221 62.300 -0.055 0.000 0.935 165 V CB 1.067 32.871 31.823 -0.031 0.000 1.061 165 V HN -0.090 nan 8.190 nan 0.000 0.484 166 V N 3.515 123.358 119.914 -0.118 0.000 2.453 166 V HA -0.017 4.106 4.120 0.004 0.000 0.247 166 V C 1.042 176.990 176.094 -0.244 0.000 1.048 166 V CA 1.694 63.853 62.300 -0.235 0.000 1.049 166 V CB 0.377 32.056 31.823 -0.241 0.000 0.672 166 V HN 0.801 nan 8.190 nan 0.000 0.457 167 S N -0.994 114.670 115.700 -0.060 0.000 2.543 167 S HA 0.603 5.075 4.470 0.004 0.000 0.273 167 S C -1.016 173.643 174.600 0.098 0.000 1.152 167 S CA -0.810 57.432 58.200 0.070 0.000 0.910 167 S CB 1.609 64.962 63.200 0.255 0.000 1.105 167 S HN 0.405 nan 8.310 nan 0.000 0.465 168 R N 2.677 123.242 120.500 0.107 0.000 2.514 168 R HA 0.675 5.017 4.340 0.004 0.000 0.296 168 R C -1.618 174.746 176.300 0.107 0.000 1.012 168 R CA -0.257 55.896 56.100 0.089 0.000 0.897 168 R CB 1.633 31.963 30.300 0.050 0.000 1.184 168 R HN 0.642 nan 8.270 nan 0.000 0.440 169 T N 1.460 116.076 114.554 0.103 0.000 2.916 169 T HA 0.390 4.743 4.350 0.004 0.000 0.305 169 T C -1.512 173.201 174.700 0.021 0.000 1.119 169 T CA -0.659 61.489 62.100 0.081 0.000 1.008 169 T CB 1.815 70.760 68.868 0.129 0.000 1.129 169 T HN 0.407 nan 8.240 nan 0.000 0.480 170 S N 0.706 116.412 115.700 0.011 0.000 2.736 170 S HA 0.434 4.906 4.470 0.004 0.000 0.285 170 S C 0.228 174.822 174.600 -0.010 0.000 1.163 170 S CA -0.708 57.490 58.200 -0.005 0.000 1.025 170 S CB 0.996 64.202 63.200 0.009 0.000 1.030 170 S HN 0.670 nan 8.310 nan 0.000 0.486 171 R N 2.265 122.748 120.500 -0.029 0.000 2.290 171 R HA 0.466 4.808 4.340 0.004 0.000 0.197 171 R C 0.240 176.539 176.300 -0.003 0.000 0.913 171 R CA 0.592 56.678 56.100 -0.024 0.000 1.040 171 R CB 0.797 31.061 30.300 -0.061 0.000 0.992 171 R HN 0.559 nan 8.270 nan 0.000 0.500 172 A N 0.568 123.391 122.820 0.005 0.000 2.408 172 A HA 0.543 4.865 4.320 0.004 0.000 0.295 172 A C -0.598 177.000 177.584 0.023 0.000 1.040 172 A CA -0.727 51.323 52.037 0.021 0.000 0.707 172 A CB 1.233 20.252 19.000 0.031 0.000 1.235 172 A HN 0.016 nan 8.150 nan 0.000 0.418 173 R N 1.896 122.412 120.500 0.027 0.000 2.734 173 R HA 0.183 4.525 4.340 0.004 0.000 0.395 173 R C -1.155 175.164 176.300 0.032 0.000 1.096 173 R CA -0.432 55.683 56.100 0.026 0.000 1.071 173 R CB 0.295 30.607 30.300 0.020 0.000 1.348 173 R HN 0.765 nan 8.270 nan 0.000 0.600 174 D N 1.457 121.883 120.400 0.043 0.000 2.443 174 D HA -0.052 4.590 4.640 0.004 0.000 0.239 174 D C 0.453 176.785 176.300 0.054 0.000 1.136 174 D CA 0.406 54.437 54.000 0.051 0.000 0.879 174 D CB 0.948 41.786 40.800 0.064 0.000 1.195 174 D HN -0.034 nan 8.370 nan 0.000 0.443 175 E N 1.563 121.793 120.200 0.050 0.000 2.257 175 E HA 0.098 4.450 4.350 0.004 0.000 0.278 175 E C 0.026 176.675 176.600 0.080 0.000 1.049 175 E CA 0.086 56.516 56.400 0.051 0.000 0.876 175 E CB 0.312 30.035 29.700 0.040 0.000 1.035 175 E HN 0.404 nan 8.360 nan 0.000 0.419 176 L N 3.699 124.982 121.223 0.101 0.000 2.672 176 L HA 0.295 4.637 4.340 0.004 0.000 0.236 176 L C 1.956 178.969 176.870 0.237 0.000 1.092 176 L CA 0.411 55.373 54.840 0.204 0.000 0.887 176 L CB -0.240 41.998 42.059 0.298 0.000 1.168 176 L HN 0.634 nan 8.230 nan 0.000 0.502 177 A N 2.250 125.137 122.820 0.110 0.000 1.896 177 A HA -0.193 4.129 4.320 0.004 0.000 0.220 177 A C 0.137 177.795 177.584 0.123 0.000 1.206 177 A CA 2.392 54.481 52.037 0.087 0.000 0.647 177 A CB -1.947 17.072 19.000 0.032 0.000 0.828 177 A HN 0.309 nan 8.150 nan 0.000 0.455 178 P HA -0.121 nan 4.420 nan 0.000 0.218 178 P C 1.551 178.893 177.300 0.071 0.000 1.149 178 P CA 1.203 64.344 63.100 0.068 0.000 0.817 178 P CB -0.211 31.517 31.700 0.047 0.000 0.785 179 I N -1.877 118.751 120.570 0.097 0.000 2.252 179 I HA -0.203 3.969 4.170 0.004 0.000 0.245 179 I C 2.400 178.498 176.117 -0.032 0.000 1.102 179 I CA 1.376 62.692 61.300 0.026 0.000 1.385 179 I CB -0.681 37.329 38.000 0.017 0.000 1.064 179 I HN -0.200 nan 8.210 nan 0.000 0.414 180 F N 0.945 120.881 119.950 -0.023 0.000 2.259 180 F HA -0.061 4.468 4.527 0.003 0.000 0.298 180 F C 2.570 178.341 175.800 -0.048 0.000 1.088 180 F CA 1.169 59.145 58.000 -0.040 0.000 1.358 180 F CB -0.547 38.437 39.000 -0.027 0.000 1.040 180 F HN -0.034 nan 8.300 nan 0.000 0.505 181 A N -0.808 122.097 122.820 0.142 0.000 2.119 181 A HA -0.092 4.230 4.320 0.004 0.000 0.217 181 A C 2.092 179.684 177.584 0.015 0.000 1.153 181 A CA 1.713 53.790 52.037 0.066 0.000 0.692 181 A CB -0.749 18.284 19.000 0.054 0.000 0.799 181 A HN 0.367 nan 8.150 nan 0.000 0.458 182 S N -0.837 114.858 115.700 -0.008 0.000 2.549 182 S HA 0.128 4.600 4.470 0.004 0.000 0.225 182 S C 0.884 175.439 174.600 -0.075 0.000 1.039 182 S CA 0.472 58.652 58.200 -0.033 0.000 0.942 182 S CB -0.692 62.495 63.200 -0.021 0.000 0.881 182 S HN 0.679 nan 8.310 nan 0.000 0.503 183 S N 1.524 117.148 115.700 -0.126 0.000 2.568 183 S HA 0.608 5.080 4.470 0.004 0.000 0.282 183 S C 1.407 175.875 174.600 -0.220 0.000 1.338 183 S CA -0.199 57.879 58.200 -0.203 0.000 1.045 183 S CB 0.944 63.941 63.200 -0.339 0.000 0.873 183 S HN 0.619 nan 8.310 nan 0.000 0.516 184 A N 3.302 125.990 122.820 -0.220 0.000 1.940 184 A HA 0.337 4.659 4.320 0.004 0.000 0.219 184 A C 1.232 178.632 177.584 -0.308 0.000 1.176 184 A CA 1.135 53.059 52.037 -0.189 0.000 0.631 184 A CB -1.094 17.842 19.000 -0.107 0.000 0.814 184 A HN 1.388 nan 8.150 nan 0.000 0.446 185 G N -2.611 105.773 108.800 -0.694 0.000 2.619 185 G HA2 0.533 4.495 3.960 0.004 0.000 0.296 185 G HA3 0.533 4.495 3.960 0.004 0.000 0.296 185 G C -1.655 172.536 174.900 -1.182 0.000 1.334 185 G CA -0.264 44.222 45.100 -1.024 0.000 0.934 185 G HN 0.455 nan 8.290 nan 0.000 0.476 186 V N 0.558 120.173 119.914 -0.498 0.000 2.711 186 V HA 0.591 4.713 4.120 0.004 0.000 0.304 186 V C -0.348 175.846 176.094 0.167 0.000 1.097 186 V CA -0.712 61.516 62.300 -0.120 0.000 0.906 186 V CB 1.761 33.606 31.823 0.036 0.000 1.015 186 V HN 1.102 nan 8.190 nan 0.000 0.427 187 V N 2.692 122.789 119.914 0.305 0.000 2.540 187 V HA 0.804 4.927 4.120 0.004 0.000 0.302 187 V C -0.505 175.719 176.094 0.217 0.000 1.035 187 V CA -0.750 61.701 62.300 0.252 0.000 0.873 187 V CB 1.913 33.885 31.823 0.250 0.000 0.992 187 V HN 0.869 nan 8.190 nan 0.000 0.428 188 R N 2.211 122.805 120.500 0.157 0.000 2.795 188 R HA 0.881 5.223 4.340 0.004 0.000 0.275 188 R C -0.348 176.009 176.300 0.095 0.000 0.981 188 R CA -0.508 55.672 56.100 0.133 0.000 0.917 188 R CB 2.688 33.035 30.300 0.079 0.000 1.202 188 R HN 1.164 nan 8.270 nan 0.000 0.469 189 G N 0.679 109.549 108.800 0.118 0.000 2.733 189 G HA2 0.276 4.238 3.960 0.004 0.000 0.297 189 G HA3 0.276 4.238 3.960 0.004 0.000 0.297 189 G C -1.395 173.468 174.900 -0.061 0.000 1.422 189 G CA -0.563 44.496 45.100 -0.070 0.000 0.942 189 G HN 0.385 nan 8.290 nan 0.000 0.510 190 Q N 1.501 121.149 119.800 -0.253 0.000 2.626 190 Q HA 0.336 4.679 4.340 0.004 0.000 0.239 190 Q C -0.925 174.959 176.000 -0.193 0.000 1.101 190 Q CA -0.354 55.383 55.803 -0.110 0.000 0.918 190 Q CB 1.183 29.868 28.738 -0.088 0.000 1.151 190 Q HN 0.454 nan 8.270 nan 0.000 0.531 191 F N 0.702 120.657 119.950 0.008 0.000 2.389 191 F HA 0.343 4.872 4.527 0.004 0.000 0.337 191 F C 0.884 176.694 175.800 0.017 0.000 1.112 191 F CA -0.039 57.969 58.000 0.013 0.000 1.192 191 F CB 1.428 40.439 39.000 0.017 0.000 1.185 191 F HN 0.193 nan 8.300 nan 0.000 0.552 192 S N 1.520 117.332 115.700 0.187 0.000 2.536 192 S HA 0.687 5.159 4.470 0.004 0.000 0.271 192 S C -1.581 173.091 174.600 0.119 0.000 1.134 192 S CA -0.609 57.663 58.200 0.120 0.000 0.897 192 S CB 0.830 64.067 63.200 0.062 0.000 1.094 192 S HN 0.698 nan 8.310 nan 0.000 0.473 193 C N 3.211 122.573 119.300 0.104 0.000 2.455 193 C HA 0.857 5.319 4.460 0.004 0.000 0.320 193 C C 1.213 176.256 174.990 0.089 0.000 1.226 193 C CA -0.670 58.407 59.018 0.099 0.000 1.569 193 C CB 0.534 28.334 27.740 0.101 0.000 2.200 193 C HN 1.037 nan 8.230 nan 0.000 0.491 194 G N 1.705 110.556 108.800 0.085 0.000 2.580 194 G HA2 0.474 4.436 3.960 0.004 0.000 0.278 194 G HA3 0.474 4.436 3.960 0.004 0.000 0.278 194 G C -0.329 174.632 174.900 0.103 0.000 1.212 194 G CA -0.547 44.603 45.100 0.084 0.000 0.939 194 G HN 0.784 nan 8.290 nan 0.000 0.513 195 R N -1.355 119.205 120.500 0.100 0.000 2.594 195 R HA 0.420 4.762 4.340 0.004 0.000 0.272 195 R C 0.086 176.456 176.300 0.117 0.000 1.074 195 R CA -0.186 55.978 56.100 0.106 0.000 1.105 195 R CB 1.199 31.539 30.300 0.067 0.000 1.008 195 R HN 0.438 nan 8.270 nan 0.000 0.472 196 V N -1.948 118.056 119.914 0.150 0.000 3.160 196 V HA 0.665 4.787 4.120 0.004 0.000 0.310 196 V C -0.650 175.485 176.094 0.068 0.000 1.181 196 V CA -0.923 61.503 62.300 0.211 0.000 1.047 196 V CB 2.064 34.045 31.823 0.263 0.000 1.068 196 V HN 0.690 nan 8.190 nan 0.000 0.441 197 S N 0.216 115.890 115.700 -0.043 0.000 2.503 197 S HA 0.738 5.211 4.470 0.004 0.000 0.301 197 S C 1.086 175.392 174.600 -0.491 0.000 1.087 197 S CA 0.021 58.081 58.200 -0.233 0.000 1.042 197 S CB 1.680 64.667 63.200 -0.356 0.000 1.043 197 S HN 1.845 nan 8.310 nan 0.000 0.489 198 A N 2.609 125.060 122.820 -0.615 0.000 2.076 198 A HA 0.020 4.342 4.320 0.004 0.000 0.220 198 A C 1.673 179.093 177.584 -0.274 0.000 1.160 198 A CA 1.099 52.702 52.037 -0.723 0.000 0.653 198 A CB -1.645 17.286 19.000 -0.114 0.000 0.801 198 A HN 1.799 nan 8.150 nan 0.000 0.455 199 C N -0.060 119.091 119.300 -0.248 0.000 3.592 199 C HA -0.084 4.378 4.460 0.004 0.000 0.281 199 C C -1.477 173.498 174.990 -0.025 0.000 1.400 199 C CA -0.525 58.379 59.018 -0.189 0.000 2.104 199 C CB -2.244 25.469 27.740 -0.045 0.000 1.369 199 C HN 0.586 nan 8.230 nan 0.000 0.597 200 P HA 0.101 nan 4.420 nan 0.000 0.272 200 P C 1.074 178.426 177.300 0.087 0.000 1.223 200 P CA 0.079 63.326 63.100 0.246 0.000 0.784 200 P CB 0.469 32.320 31.700 0.252 0.000 0.923 201 M N -0.224 119.440 119.600 0.106 0.000 2.296 201 M HA -0.052 4.430 4.480 0.004 0.000 0.265 201 M C 1.060 177.339 176.300 -0.035 0.000 1.064 201 M CA 1.365 56.679 55.300 0.024 0.000 1.109 201 M CB -0.898 31.717 32.600 0.025 0.000 1.396 201 M HN 0.484 nan 8.290 nan 0.000 0.430 202 E N 1.781 121.961 120.200 -0.033 0.000 2.134 202 E HA 0.189 4.541 4.350 0.004 0.000 0.278 202 E C -0.302 176.253 176.600 -0.076 0.000 0.959 202 E CA -0.226 56.125 56.400 -0.081 0.000 0.783 202 E CB 1.414 31.068 29.700 -0.077 0.000 1.095 202 E HN 0.264 nan 8.360 nan 0.000 0.399 203 T N 1.961 116.442 114.554 -0.123 0.000 2.689 203 T HA 0.262 4.614 4.350 0.004 0.000 0.308 203 T C 0.612 175.195 174.700 -0.195 0.000 1.021 203 T CA -0.587 61.416 62.100 -0.161 0.000 0.973 203 T CB 0.537 69.289 68.868 -0.193 0.000 1.113 203 T HN 0.449 nan 8.240 nan 0.000 0.522 204 R N -0.328 120.011 120.500 -0.269 0.000 2.582 204 R HA 0.596 4.938 4.340 0.004 0.000 0.271 204 R C 0.404 176.249 176.300 -0.759 0.000 1.078 204 R CA -0.258 55.626 56.100 -0.360 0.000 1.127 204 R CB 0.711 30.826 30.300 -0.309 0.000 1.038 204 R HN 0.961 nan 8.270 nan 0.000 0.500 205 G N -0.515 107.923 108.800 -0.602 0.000 2.703 205 G HA2 0.624 4.586 3.960 0.004 0.000 0.294 205 G HA3 0.624 4.586 3.960 0.004 0.000 0.294 205 G C -1.935 172.921 174.900 -0.072 0.000 1.451 205 G CA -0.344 44.364 45.100 -0.655 0.000 0.869 205 G HN 0.698 nan 8.290 nan 0.000 0.516 206 A N -0.263 122.660 122.820 0.172 0.000 2.589 206 A HA 0.837 5.159 4.320 0.004 0.000 0.296 206 A C -1.550 176.218 177.584 0.307 0.000 1.062 206 A CA -0.577 51.681 52.037 0.368 0.000 0.686 206 A CB 1.938 21.282 19.000 0.573 0.000 1.282 206 A HN 1.645 nan 8.150 nan 0.000 0.404 207 V N 0.822 120.913 119.914 0.296 0.000 2.577 207 V HA 0.763 4.885 4.120 0.004 0.000 0.303 207 V C 0.215 176.539 176.094 0.384 0.000 1.042 207 V CA -0.102 62.343 62.300 0.241 0.000 0.872 207 V CB 1.496 33.362 31.823 0.072 0.000 0.998 207 V HN 1.617 nan 8.190 nan 0.000 0.423 208 A N 3.963 126.952 122.820 0.281 0.000 2.355 208 A HA 0.882 5.205 4.320 0.004 0.000 0.324 208 A C -0.638 177.117 177.584 0.286 0.000 1.117 208 A CA -0.632 51.578 52.037 0.287 0.000 0.785 208 A CB 1.724 20.837 19.000 0.190 0.000 1.254 208 A HN 0.820 nan 8.150 nan 0.000 0.453 209 Q N 1.490 121.479 119.800 0.315 0.000 2.337 209 Q HA 0.437 4.779 4.340 0.004 0.000 0.260 209 Q C -2.290 173.833 176.000 0.205 0.000 0.982 209 Q CA -0.415 55.553 55.803 0.276 0.000 0.734 209 Q CB 1.249 30.224 28.738 0.394 0.000 1.272 209 Q HN 0.761 nan 8.270 nan 0.000 0.461 210 Y N 2.413 122.771 120.300 0.097 0.000 2.330 210 Y HA 0.429 4.981 4.550 0.003 0.000 0.336 210 Y C -0.867 175.088 175.900 0.092 0.000 1.036 210 Y CA -0.552 57.595 58.100 0.078 0.000 1.125 210 Y CB 1.561 40.071 38.460 0.083 0.000 1.194 210 Y HN 0.609 nan 8.280 nan 0.000 0.469 211 E N 7.181 127.078 120.200 -0.506 0.000 2.141 211 E HA 0.110 4.462 4.350 0.004 0.000 0.259 211 E C 0.248 176.611 176.600 -0.395 0.000 0.883 211 E CA -0.743 55.473 56.400 -0.306 0.000 0.744 211 E CB -0.022 29.516 29.700 -0.270 0.000 1.150 211 E HN 0.775 nan 8.360 nan 0.000 0.420 212 W N 4.268 125.506 121.300 -0.103 0.000 2.374 212 W HA -0.158 4.505 4.660 0.003 0.000 0.288 212 W C 0.854 177.359 176.519 -0.023 0.000 1.218 212 W CA 1.737 59.107 57.345 0.041 0.000 1.245 212 W CB -1.182 28.379 29.460 0.169 0.000 1.126 212 W HN 0.533 nan 8.180 nan 0.000 0.545 213 T N -0.887 113.134 114.554 -0.889 0.000 3.051 213 T HA -0.114 4.238 4.350 0.004 0.000 0.269 213 T C 1.505 175.977 174.700 -0.380 0.000 1.127 213 T CA 1.939 63.517 62.100 -0.870 0.000 1.107 213 T CB -0.687 67.605 68.868 -0.959 0.000 0.898 213 T HN 0.303 nan 8.240 nan 0.000 0.517 214 T N -2.673 111.704 114.554 -0.296 0.000 2.986 214 T HA 0.267 4.619 4.350 0.004 0.000 0.264 214 T C 0.792 175.382 174.700 -0.184 0.000 0.964 214 T CA 0.011 61.986 62.100 -0.209 0.000 0.895 214 T CB -0.179 68.563 68.868 -0.211 0.000 1.163 214 T HN 0.374 nan 8.240 nan 0.000 0.517 215 Q N 0.516 120.183 119.800 -0.222 0.000 2.481 215 Q HA -0.183 4.159 4.340 0.004 0.000 0.258 215 Q C -0.542 175.268 176.000 -0.317 0.000 0.961 215 Q CA 0.715 56.405 55.803 -0.187 0.000 1.121 215 Q CB -1.647 27.098 28.738 0.013 0.000 1.503 215 Q HN 0.714 nan 8.270 nan 0.000 0.544 216 Q N 0.368 119.916 119.800 -0.419 0.000 2.230 216 Q HA 0.636 4.978 4.340 0.004 0.000 0.253 216 Q C -0.853 174.930 176.000 -0.362 0.000 0.919 216 Q CA -0.621 54.993 55.803 -0.315 0.000 0.908 216 Q CB 1.540 30.140 28.738 -0.231 0.000 1.245 216 Q HN 0.202 nan 8.270 nan 0.000 0.437 217 L N 3.034 124.160 121.223 -0.163 0.000 2.362 217 L HA 0.571 4.913 4.340 0.004 0.000 0.275 217 L C -1.586 175.226 176.870 -0.097 0.000 0.998 217 L CA -0.255 54.563 54.840 -0.037 0.000 0.820 217 L CB 1.372 43.517 42.059 0.145 0.000 1.270 217 L HN 0.576 nan 8.230 nan 0.000 0.415 218 I N 5.808 126.305 120.570 -0.121 0.000 2.406 218 I HA 0.380 4.552 4.170 0.004 0.000 0.290 218 I C -1.212 174.753 176.117 -0.253 0.000 0.999 218 I CA -0.753 60.350 61.300 -0.328 0.000 1.124 218 I CB 1.906 39.535 38.000 -0.617 0.000 1.289 218 I HN 0.482 nan 8.210 nan 0.000 0.441 219 L N 7.266 128.340 121.223 -0.247 0.000 2.316 219 L HA 0.488 4.830 4.340 0.004 0.000 0.280 219 L C -1.285 175.553 176.870 -0.053 0.000 1.006 219 L CA -0.193 54.629 54.840 -0.030 0.000 0.836 219 L CB 0.967 43.038 42.059 0.019 0.000 1.221 219 L HN 0.449 nan 8.230 nan 0.000 0.418 220 W N 4.586 125.920 121.300 0.057 0.000 2.338 220 W HA 0.546 5.208 4.660 0.004 0.000 0.307 220 W C 0.085 176.655 176.519 0.085 0.000 1.167 220 W CA -0.475 56.903 57.345 0.055 0.000 1.208 220 W CB 1.929 31.415 29.460 0.043 0.000 1.228 220 W HN 0.531 nan 8.180 nan 0.000 0.499 221 T N 1.091 115.811 114.554 0.277 0.000 2.982 221 T HA 0.498 4.850 4.350 0.004 0.000 0.321 221 T C -0.924 173.897 174.700 0.200 0.000 1.229 221 T CA -0.511 61.737 62.100 0.246 0.000 1.044 221 T CB 1.101 70.111 68.868 0.238 0.000 1.184 221 T HN 0.411 nan 8.240 nan 0.000 0.477 222 A N 3.614 126.547 122.820 0.189 0.000 2.990 222 A HA 0.555 4.877 4.320 0.004 0.000 0.282 222 A C 0.624 178.321 177.584 0.188 0.000 1.688 222 A CA -0.102 52.028 52.037 0.155 0.000 1.391 222 A CB -0.826 18.242 19.000 0.114 0.000 1.112 222 A HN 0.795 nan 8.150 nan 0.000 0.588 223 T N 0.225 114.882 114.554 0.172 0.000 2.908 223 T HA 0.398 4.750 4.350 0.004 0.000 0.290 223 T C 0.745 175.536 174.700 0.152 0.000 1.034 223 T CA -0.426 61.784 62.100 0.183 0.000 1.010 223 T CB 1.255 70.225 68.868 0.170 0.000 1.068 223 T HN 0.605 nan 8.240 nan 0.000 0.481 224 Q N 2.005 121.907 119.800 0.170 0.000 2.356 224 Q HA 0.315 4.657 4.340 0.004 0.000 0.205 224 Q C 0.056 176.174 176.000 0.197 0.000 0.901 224 Q CA 0.415 56.322 55.803 0.173 0.000 0.938 224 Q CB 0.377 29.230 28.738 0.191 0.000 1.081 224 Q HN 0.558 nan 8.270 nan 0.000 0.517 225 M N 1.336 121.047 119.600 0.184 0.000 2.693 225 M HA 0.209 4.691 4.480 0.004 0.000 0.224 225 M C -2.098 174.284 176.300 0.137 0.000 1.149 225 M CA -1.527 53.882 55.300 0.180 0.000 0.622 225 M CB 1.403 34.099 32.600 0.160 0.000 1.443 225 M HN -0.148 nan 8.290 nan 0.000 0.431 226 P HA -0.136 nan 4.420 nan 0.000 0.215 226 P C 1.097 178.344 177.300 -0.090 0.000 1.157 226 P CA 1.667 64.766 63.100 -0.002 0.000 0.868 226 P CB 0.186 31.882 31.700 -0.007 0.000 0.788 227 S N -0.449 115.140 115.700 -0.185 0.000 2.382 227 S HA -0.152 4.320 4.470 0.004 0.000 0.228 227 S C 1.699 176.107 174.600 -0.320 0.000 1.027 227 S CA 1.144 59.089 58.200 -0.425 0.000 0.991 227 S CB -1.266 61.330 63.200 -1.006 0.000 0.823 227 S HN 0.159 nan 8.310 nan 0.000 0.469 228 F N 2.826 122.557 119.950 -0.364 0.000 2.102 228 F HA -0.135 4.395 4.527 0.004 0.000 0.298 228 F C 2.084 177.749 175.800 -0.225 0.000 1.105 228 F CA 1.111 58.917 58.000 -0.324 0.000 1.239 228 F CB -0.766 38.025 39.000 -0.349 0.000 0.991 228 F HN -0.024 nan 8.300 nan 0.000 0.474 229 V N 1.559 121.238 119.914 -0.392 0.000 2.332 229 V HA -0.311 3.811 4.120 0.004 0.000 0.248 229 V C 2.678 178.572 176.094 -0.334 0.000 1.055 229 V CA 2.320 64.358 62.300 -0.436 0.000 1.038 229 V CB -0.940 30.794 31.823 -0.149 0.000 0.651 229 V HN 0.399 nan 8.190 nan 0.000 0.450 230 R N -0.038 120.330 120.500 -0.221 0.000 2.083 230 R HA -0.192 4.151 4.340 0.004 0.000 0.237 230 R C 2.329 178.523 176.300 -0.176 0.000 1.137 230 R CA 2.275 58.281 56.100 -0.157 0.000 0.951 230 R CB -0.555 29.683 30.300 -0.102 0.000 0.851 230 R HN 0.532 nan 8.270 nan 0.000 0.434 231 T N 1.085 115.524 114.554 -0.191 0.000 2.788 231 T HA -0.099 4.253 4.350 0.004 0.000 0.268 231 T C 1.743 176.228 174.700 -0.359 0.000 1.044 231 T CA 1.291 63.279 62.100 -0.186 0.000 1.139 231 T CB -0.023 68.792 68.868 -0.089 0.000 0.867 231 T HN 0.172 nan 8.240 nan 0.000 0.454 232 M N 0.732 120.006 119.600 -0.544 0.000 2.254 232 M HA 0.058 4.540 4.480 0.004 0.000 0.265 232 M C 2.424 178.397 176.300 -0.544 0.000 1.066 232 M CA 0.762 55.608 55.300 -0.757 0.000 1.123 232 M CB -1.335 30.739 32.600 -0.877 0.000 1.388 232 M HN 0.125 nan 8.290 nan 0.000 0.425 233 V N 0.678 120.406 119.914 -0.309 0.000 2.343 233 V HA -0.219 3.903 4.120 0.004 0.000 0.247 233 V C 2.719 178.736 176.094 -0.129 0.000 1.051 233 V CA 1.796 64.009 62.300 -0.145 0.000 1.036 233 V CB -1.277 30.491 31.823 -0.092 0.000 0.654 233 V HN 0.466 nan 8.190 nan 0.000 0.451 234 A N -0.405 122.323 122.820 -0.154 0.000 1.908 234 A HA -0.231 4.091 4.320 0.004 0.000 0.218 234 A C 2.250 179.756 177.584 -0.131 0.000 1.181 234 A CA 2.195 54.168 52.037 -0.107 0.000 0.627 234 A CB -0.416 18.530 19.000 -0.091 0.000 0.818 234 A HN 0.453 nan 8.150 nan 0.000 0.445 235 M N -1.467 117.975 119.600 -0.263 0.000 2.064 235 M HA -0.019 4.463 4.480 0.004 0.000 0.260 235 M C 2.099 178.325 176.300 -0.123 0.000 1.073 235 M CA 1.488 56.614 55.300 -0.290 0.000 1.124 235 M CB -1.105 31.144 32.600 -0.586 0.000 1.326 235 M HN 0.519 nan 8.290 nan 0.000 0.410 236 F N -0.770 119.134 119.950 -0.076 0.000 2.558 236 F HA -0.119 4.410 4.527 0.003 0.000 0.298 236 F C 2.048 177.812 175.800 -0.060 0.000 1.119 236 F CA -0.107 57.851 58.000 -0.071 0.000 1.451 236 F CB -0.124 38.823 39.000 -0.088 0.000 1.091 236 F HN 0.220 nan 8.300 nan 0.000 0.563 237 C N -0.171 119.185 119.300 0.095 0.000 3.183 237 C HA 0.597 5.059 4.460 0.004 0.000 0.285 237 C C 1.415 176.415 174.990 0.017 0.000 1.313 237 C CA -0.206 58.839 59.018 0.044 0.000 1.711 237 C CB -0.886 26.871 27.740 0.028 0.000 2.135 237 C HN 0.443 nan 8.230 nan 0.000 0.651 238 A N 1.113 123.941 122.820 0.014 0.000 2.610 238 A HA -0.213 4.110 4.320 0.004 0.000 0.299 238 A C -0.115 177.474 177.584 0.009 0.000 1.487 238 A CA 0.849 52.890 52.037 0.006 0.000 0.743 238 A CB -2.126 16.879 19.000 0.008 0.000 1.070 238 A HN 0.685 nan 8.150 nan 0.000 0.439 239 I N 1.151 121.725 120.570 0.006 0.000 2.406 239 I HA 0.358 4.530 4.170 0.004 0.000 0.290 239 I C -1.966 174.164 176.117 0.021 0.000 0.999 239 I CA -2.584 58.730 61.300 0.024 0.000 1.124 239 I CB 2.026 40.047 38.000 0.035 0.000 1.289 239 I HN 0.166 nan 8.210 nan 0.000 0.441 240 P HA -0.050 nan 4.420 nan 0.000 0.261 240 P C 0.380 177.713 177.300 0.054 0.000 1.183 240 P CA 0.350 63.500 63.100 0.083 0.000 0.761 240 P CB 0.853 32.631 31.700 0.131 0.000 0.785 241 E N 3.080 123.341 120.200 0.102 0.000 2.118 241 E HA -0.260 4.092 4.350 0.004 0.000 0.195 241 E C 1.546 178.194 176.600 0.080 0.000 0.992 241 E CA 1.346 57.783 56.400 0.061 0.000 0.804 241 E CB -0.260 29.465 29.700 0.041 0.000 0.741 241 E HN 0.702 nan 8.360 nan 0.000 0.458 242 H N -1.220 117.836 119.070 -0.022 0.000 2.545 242 H HA 0.021 4.579 4.556 0.004 0.000 0.282 242 H C 1.580 176.893 175.328 -0.025 0.000 1.020 242 H CA 0.526 56.561 56.048 -0.022 0.000 1.243 242 H CB -0.090 29.659 29.762 -0.022 0.000 1.377 242 H HN 0.164 nan 8.280 nan 0.000 0.581 243 L N 0.992 121.977 121.223 -0.396 0.000 2.628 243 L HA 0.307 4.649 4.340 0.004 0.000 0.229 243 L C -0.138 176.637 176.870 -0.157 0.000 1.137 243 L CA -0.104 54.542 54.840 -0.322 0.000 0.909 243 L CB 0.256 42.103 42.059 -0.353 0.000 1.137 243 L HN 0.290 nan 8.230 nan 0.000 0.470 244 I N -0.024 120.483 120.570 -0.106 0.000 2.474 244 I HA 0.288 4.460 4.170 0.004 0.000 0.294 244 I C -0.248 175.814 176.117 -0.092 0.000 1.005 244 I CA -0.373 60.878 61.300 -0.081 0.000 1.113 244 I CB 2.403 40.369 38.000 -0.055 0.000 1.289 244 I HN 0.001 nan 8.210 nan 0.000 0.436 245 E N 5.624 125.746 120.200 -0.129 0.000 2.246 245 E HA 0.523 4.876 4.350 0.004 0.000 0.266 245 E C -1.842 174.637 176.600 -0.201 0.000 0.880 245 E CA -0.598 55.709 56.400 -0.155 0.000 0.762 245 E CB 2.500 32.088 29.700 -0.187 0.000 1.180 245 E HN 0.334 nan 8.360 nan 0.000 0.416 246 V N 4.771 124.587 119.914 -0.164 0.000 2.472 246 V HA 0.508 4.630 4.120 0.004 0.000 0.290 246 V C -0.052 175.933 176.094 -0.181 0.000 1.037 246 V CA -0.518 61.686 62.300 -0.160 0.000 0.908 246 V CB 1.555 33.322 31.823 -0.094 0.000 0.985 246 V HN 0.658 nan 8.190 nan 0.000 0.454 247 R N 2.932 123.293 120.500 -0.231 0.000 2.670 247 R HA 0.766 5.108 4.340 0.004 0.000 0.289 247 R C -1.624 174.676 176.300 0.001 0.000 0.965 247 R CA -0.730 55.262 56.100 -0.180 0.000 0.899 247 R CB 2.458 32.501 30.300 -0.429 0.000 1.173 247 R HN 0.490 nan 8.270 nan 0.000 0.456 248 V N 4.584 124.526 119.914 0.047 0.000 2.378 248 V HA 0.353 4.475 4.120 0.004 0.000 0.288 248 V C -1.707 174.443 176.094 0.092 0.000 1.016 248 V CA -1.458 60.895 62.300 0.089 0.000 0.840 248 V CB 1.439 33.302 31.823 0.066 0.000 0.994 248 V HN 0.733 nan 8.190 nan 0.000 0.431 249 P HA 0.341 nan 4.420 nan 0.000 0.317 249 P C -0.757 176.511 177.300 -0.052 0.000 1.307 249 P CA -0.589 62.540 63.100 0.049 0.000 0.749 249 P CB 0.869 32.615 31.700 0.077 0.000 1.377 250 D N -0.631 119.641 120.400 -0.212 0.000 2.443 250 D HA 0.176 4.818 4.640 0.004 0.000 0.239 250 D C -0.280 175.869 176.300 -0.251 0.000 1.136 250 D CA 0.377 54.153 54.000 -0.373 0.000 0.879 250 D CB 0.617 40.927 40.800 -0.817 0.000 1.195 250 D HN -0.028 nan 8.370 nan 0.000 0.443 251 V N 1.246 121.121 119.914 -0.065 0.000 2.448 251 V HA 0.405 4.528 4.120 0.004 0.000 0.295 251 V C 1.035 177.263 176.094 0.222 0.000 1.025 251 V CA -0.888 61.484 62.300 0.119 0.000 0.859 251 V CB 1.902 33.759 31.823 0.056 0.000 0.988 251 V HN 0.653 nan 8.190 nan 0.000 0.431 252 G N 3.001 111.994 108.800 0.322 0.000 3.401 252 G HA2 0.511 4.473 3.960 0.004 0.000 0.251 252 G HA3 0.511 4.473 3.960 0.004 0.000 0.251 252 G C 0.631 175.566 174.900 0.059 0.000 0.960 252 G CA 0.406 45.623 45.100 0.195 0.000 1.900 252 G HN 1.538 nan 8.290 nan 0.000 0.645 253 G N -1.223 107.547 108.800 -0.050 0.000 2.895 253 G HA2 0.322 4.285 3.960 0.004 0.000 0.686 253 G HA3 0.322 4.285 3.960 0.004 0.000 0.686 253 G C 0.573 175.265 174.900 -0.347 0.000 1.108 253 G CA -0.355 44.546 45.100 -0.332 0.000 0.761 253 G HN 1.162 nan 8.290 nan 0.000 0.611 254 G N 0.105 108.486 108.800 -0.698 0.000 2.714 254 G HA2 0.539 4.501 3.960 0.004 0.000 0.204 254 G HA3 0.539 4.501 3.960 0.004 0.000 0.204 254 G C 0.829 175.712 174.900 -0.028 0.000 1.197 254 G CA 0.849 45.823 45.100 -0.211 0.000 0.642 254 G HN 1.732 nan 8.290 nan 0.000 0.849 255 F N 0.774 120.833 119.950 0.181 0.000 3.069 255 F HA -0.166 4.363 4.527 0.003 0.000 0.285 255 F C 1.923 177.890 175.800 0.277 0.000 0.827 255 F CA 1.091 59.230 58.000 0.232 0.000 1.108 255 F CB -1.633 37.580 39.000 0.355 0.000 1.252 255 F HN 1.186 nan 8.300 nan 0.000 0.483 256 G N -1.310 107.671 108.800 0.301 0.000 2.279 256 G HA2 -0.372 3.590 3.960 0.004 0.000 0.223 256 G HA3 -0.372 3.590 3.960 0.004 0.000 0.223 256 G C 0.856 175.979 174.900 0.373 0.000 1.015 256 G CA 0.433 45.690 45.100 0.262 0.000 0.621 256 G HN 0.540 nan 8.290 nan 0.000 0.506 257 Q N 0.583 120.638 119.800 0.425 0.000 2.124 257 Q HA 0.003 4.345 4.340 0.004 0.000 0.202 257 Q C 1.798 178.132 176.000 0.556 0.000 0.977 257 Q CA 1.599 57.678 55.803 0.460 0.000 0.850 257 Q CB -0.149 28.744 28.738 0.260 0.000 0.901 257 Q HN 0.570 nan 8.270 nan 0.000 0.429 258 K N -0.571 120.062 120.400 0.388 0.000 2.520 258 K HA 0.189 4.511 4.320 0.004 0.000 0.205 258 K C -0.047 176.736 176.600 0.305 0.000 1.035 258 K CA 0.094 56.620 56.287 0.398 0.000 1.188 258 K CB 0.739 33.396 32.500 0.262 0.000 0.894 258 K HN 0.055 nan 8.250 nan 0.000 0.497 259 A N 0.829 123.806 122.820 0.262 0.000 2.827 259 A HA 0.231 4.554 4.320 0.004 0.000 0.300 259 A C -0.890 176.630 177.584 -0.105 0.000 1.237 259 A CA -0.410 51.703 52.037 0.128 0.000 0.964 259 A CB -0.200 18.917 19.000 0.194 0.000 1.143 259 A HN 0.274 nan 8.150 nan 0.000 0.554 260 H N -1.951 117.190 119.070 0.118 0.000 2.928 260 H HA 0.561 5.119 4.556 0.004 0.000 0.371 260 H C -1.025 174.182 175.328 -0.202 0.000 1.186 260 H CA -0.818 55.226 56.048 -0.007 0.000 1.134 260 H CB 1.614 31.437 29.762 0.102 0.000 1.824 260 H HN 0.212 nan 8.280 nan 0.000 0.554 261 L N 3.206 124.495 121.223 0.111 0.000 2.265 261 L HA 0.258 4.600 4.340 0.004 0.000 0.288 261 L C -0.712 176.091 176.870 -0.112 0.000 1.058 261 L CA -0.168 54.649 54.840 -0.037 0.000 0.809 261 L CB -0.063 42.023 42.059 0.046 0.000 1.179 261 L HN 0.610 nan 8.230 nan 0.000 0.429 262 H N 5.576 124.727 119.070 0.134 0.000 2.467 262 H HA 0.310 4.868 4.556 0.004 0.000 0.331 262 H C -1.950 173.341 175.328 -0.062 0.000 1.120 262 H CA -2.313 53.768 56.048 0.054 0.000 1.270 262 H CB 0.980 30.804 29.762 0.104 0.000 1.466 262 H HN 0.446 nan 8.280 nan 0.000 0.504 263 P HA -0.161 nan 4.420 nan 0.000 0.216 263 P C 1.012 178.203 177.300 -0.182 0.000 1.153 263 P CA 1.425 64.472 63.100 -0.088 0.000 0.858 263 P CB 0.449 32.093 31.700 -0.093 0.000 0.789 264 E N -0.464 119.499 120.200 -0.396 0.000 2.153 264 E HA -0.191 4.162 4.350 0.004 0.000 0.194 264 E C 1.892 178.238 176.600 -0.423 0.000 0.988 264 E CA 1.042 56.990 56.400 -0.753 0.000 0.811 264 E CB -0.572 27.856 29.700 -2.120 0.000 0.746 264 E HN 0.423 nan 8.360 nan 0.000 0.466 265 E N 0.147 120.248 120.200 -0.164 0.000 2.077 265 E HA -0.161 4.191 4.350 0.004 0.000 0.193 265 E C 1.984 178.597 176.600 0.021 0.000 0.989 265 E CA 0.861 57.294 56.400 0.054 0.000 0.800 265 E CB -0.077 29.700 29.700 0.128 0.000 0.746 265 E HN 0.260 nan 8.360 nan 0.000 0.452 266 L N 0.525 121.743 121.223 -0.008 0.000 2.109 266 L HA -0.161 4.181 4.340 0.004 0.000 0.207 266 L C 2.443 179.323 176.870 0.017 0.000 1.086 266 L CA 0.647 55.495 54.840 0.015 0.000 0.760 266 L CB -0.347 41.727 42.059 0.024 0.000 0.910 266 L HN 0.173 nan 8.230 nan 0.000 0.437 267 L N -0.199 121.008 121.223 -0.027 0.000 2.012 267 L HA -0.206 4.136 4.340 0.004 0.000 0.210 267 L C 2.679 179.555 176.870 0.010 0.000 1.073 267 L CA 1.493 56.335 54.840 0.004 0.000 0.748 267 L CB -0.712 41.303 42.059 -0.073 0.000 0.891 267 L HN 0.242 nan 8.230 nan 0.000 0.431 268 V N -4.063 115.848 119.914 -0.005 0.000 2.490 268 V HA -0.272 3.850 4.120 0.004 0.000 0.250 268 V C 2.363 178.494 176.094 0.060 0.000 1.061 268 V CA 1.675 63.998 62.300 0.039 0.000 1.064 268 V CB -1.320 30.575 31.823 0.120 0.000 0.670 268 V HN 0.483 nan 8.190 nan 0.000 0.461 269 C N 0.296 119.639 119.300 0.071 0.000 2.453 269 C HA 0.036 4.498 4.460 0.004 0.000 0.277 269 C C 2.756 177.778 174.990 0.054 0.000 1.262 269 C CA 1.115 60.181 59.018 0.080 0.000 1.718 269 C CB -1.194 26.588 27.740 0.070 0.000 2.031 269 C HN 0.593 nan 8.230 nan 0.000 0.480 270 L N 0.325 121.592 121.223 0.073 0.000 2.046 270 L HA -0.159 4.183 4.340 0.004 0.000 0.208 270 L C 2.546 179.491 176.870 0.126 0.000 1.077 270 L CA 1.403 56.323 54.840 0.133 0.000 0.747 270 L CB -0.659 41.556 42.059 0.260 0.000 0.896 270 L HN 0.382 nan 8.230 nan 0.000 0.432 271 L N -1.058 120.159 121.223 -0.009 0.000 2.046 271 L HA -0.206 4.136 4.340 0.004 0.000 0.208 271 L C 2.864 179.664 176.870 -0.118 0.000 1.077 271 L CA 1.347 56.038 54.840 -0.249 0.000 0.747 271 L CB -0.553 41.322 42.059 -0.307 0.000 0.896 271 L HN 0.235 nan 8.230 nan 0.000 0.432 272 S N -0.199 115.490 115.700 -0.018 0.000 2.368 272 S HA -0.229 4.243 4.470 0.004 0.000 0.225 272 S C 2.204 176.850 174.600 0.077 0.000 1.030 272 S CA 1.354 59.586 58.200 0.054 0.000 0.999 272 S CB -0.155 63.124 63.200 0.132 0.000 0.844 272 S HN 0.311 nan 8.310 nan 0.000 0.459 273 R N 0.366 120.852 120.500 -0.023 0.000 2.081 273 R HA -0.016 4.326 4.340 0.004 0.000 0.235 273 R C 2.380 178.622 176.300 -0.098 0.000 1.131 273 R CA 1.360 57.299 56.100 -0.269 0.000 0.960 273 R CB -0.650 29.246 30.300 -0.673 0.000 0.856 273 R HN 0.463 nan 8.270 nan 0.000 0.436 274 A N 0.724 123.530 122.820 -0.023 0.000 1.902 274 A HA -0.096 4.226 4.320 0.004 0.000 0.217 274 A C 2.068 179.660 177.584 0.012 0.000 1.181 274 A CA 1.152 53.214 52.037 0.041 0.000 0.623 274 A CB -0.314 18.789 19.000 0.172 0.000 0.818 274 A HN 0.355 nan 8.150 nan 0.000 0.443 275 L N -1.690 119.525 121.223 -0.013 0.000 2.477 275 L HA 0.215 4.557 4.340 0.004 0.000 0.220 275 L C 1.690 178.589 176.870 0.048 0.000 1.106 275 L CA 0.521 55.356 54.840 -0.008 0.000 0.851 275 L CB -0.203 41.826 42.059 -0.050 0.000 0.994 275 L HN 0.558 nan 8.230 nan 0.000 0.462 276 G N 1.189 110.055 108.800 0.110 0.000 2.176 276 G HA2 -0.277 3.686 3.960 0.004 0.000 0.252 276 G HA3 -0.277 3.686 3.960 0.004 0.000 0.252 276 G C 0.161 175.158 174.900 0.162 0.000 1.024 276 G CA 0.174 45.392 45.100 0.197 0.000 0.755 276 G HN 0.404 nan 8.290 nan 0.000 0.507 277 R N -0.836 119.733 120.500 0.115 0.000 2.739 277 R HA 0.477 4.819 4.340 0.004 0.000 0.271 277 R C -3.059 173.284 176.300 0.071 0.000 1.010 277 R CA -2.161 53.988 56.100 0.081 0.000 0.897 277 R CB 1.868 32.193 30.300 0.042 0.000 1.236 277 R HN -0.002 nan 8.270 nan 0.000 0.466 278 P HA 0.091 nan 4.420 nan 0.000 0.271 278 P C -0.964 176.332 177.300 -0.007 0.000 1.216 278 P CA -0.238 62.891 63.100 0.049 0.000 0.776 278 P CB 0.697 32.406 31.700 0.015 0.000 0.881 279 V N 4.240 124.162 119.914 0.013 0.000 2.487 279 V HA 0.444 4.566 4.120 0.004 0.000 0.298 279 V C 0.223 176.318 176.094 0.001 0.000 1.028 279 V CA -0.621 61.664 62.300 -0.024 0.000 0.860 279 V CB 1.622 33.437 31.823 -0.014 0.000 0.991 279 V HN 0.451 nan 8.190 nan 0.000 0.427 280 R N 3.651 124.106 120.500 -0.075 0.000 2.338 280 R HA 0.443 4.785 4.340 0.004 0.000 0.317 280 R C -1.775 174.599 176.300 0.124 0.000 0.968 280 R CA -0.590 55.493 56.100 -0.028 0.000 0.849 280 R CB 1.324 31.496 30.300 -0.213 0.000 1.128 280 R HN 0.733 nan 8.270 nan 0.000 0.448 281 W N 8.255 129.554 121.300 -0.002 0.000 2.424 281 W HA 0.431 5.093 4.660 0.003 0.000 0.318 281 W C -1.823 174.715 176.519 0.032 0.000 1.016 281 W CA -1.003 56.357 57.345 0.024 0.000 1.268 281 W CB 0.969 30.449 29.460 0.033 0.000 1.297 281 W HN 0.337 nan 8.180 nan 0.000 0.428 282 I N 6.799 127.157 120.570 -0.353 0.000 2.448 282 I HA 0.122 4.294 4.170 0.004 0.000 0.281 282 I C 0.265 176.114 176.117 -0.447 0.000 1.027 282 I CA -0.964 60.043 61.300 -0.489 0.000 1.111 282 I CB 1.159 39.039 38.000 -0.200 0.000 1.236 282 I HN 0.621 nan 8.210 nan 0.000 0.452 283 E N 4.769 124.576 120.200 -0.655 0.000 2.374 283 E HA 0.323 4.675 4.350 0.004 0.000 0.260 283 E C -0.875 175.634 176.600 -0.151 0.000 1.101 283 E CA -0.605 55.649 56.400 -0.244 0.000 0.907 283 E CB 1.143 30.774 29.700 -0.116 0.000 1.014 283 E HN 0.553 nan 8.360 nan 0.000 0.427 284 D N 0.777 121.148 120.400 -0.049 0.000 2.478 284 D HA 0.110 4.752 4.640 0.004 0.000 0.263 284 D C 0.832 177.112 176.300 -0.034 0.000 1.153 284 D CA -0.790 53.187 54.000 -0.039 0.000 1.038 284 D CB 0.820 41.619 40.800 -0.002 0.000 1.120 284 D HN 0.424 nan 8.370 nan 0.000 0.564 285 R N -0.576 119.913 120.500 -0.018 0.000 2.091 285 R HA -0.183 4.159 4.340 0.004 0.000 0.238 285 R C 1.885 178.230 176.300 0.075 0.000 1.136 285 R CA 1.895 57.988 56.100 -0.011 0.000 0.959 285 R CB -0.787 29.546 30.300 0.054 0.000 0.856 285 R HN 0.468 nan 8.270 nan 0.000 0.437 286 Q N 0.524 120.403 119.800 0.133 0.000 2.096 286 Q HA -0.125 4.217 4.340 0.004 0.000 0.204 286 Q C 1.908 178.004 176.000 0.160 0.000 0.982 286 Q CA 2.103 58.021 55.803 0.191 0.000 0.850 286 Q CB -0.130 28.675 28.738 0.113 0.000 0.901 286 Q HN 0.557 nan 8.270 nan 0.000 0.422 287 E N -0.227 120.032 120.200 0.098 0.000 2.150 287 E HA -0.174 4.178 4.350 0.004 0.000 0.193 287 E C 1.650 178.292 176.600 0.070 0.000 0.985 287 E CA 0.895 57.359 56.400 0.106 0.000 0.814 287 E CB -0.153 29.621 29.700 0.124 0.000 0.752 287 E HN 0.347 nan 8.360 nan 0.000 0.466 288 N N 0.161 118.839 118.700 -0.036 0.000 2.166 288 N HA -0.131 4.611 4.740 0.004 0.000 0.186 288 N C 1.329 176.731 175.510 -0.180 0.000 1.019 288 N CA 1.028 53.979 53.050 -0.166 0.000 0.856 288 N CB -0.056 38.229 38.487 -0.337 0.000 0.993 288 N HN 0.060 nan 8.380 nan 0.000 0.426 289 F N -0.188 119.757 119.950 -0.008 0.000 2.234 289 F HA 0.075 4.604 4.527 0.003 0.000 0.296 289 F C 1.854 177.725 175.800 0.119 0.000 1.089 289 F CA 0.480 58.493 58.000 0.022 0.000 1.343 289 F CB 0.016 38.979 39.000 -0.063 0.000 1.040 289 F HN 0.033 nan 8.300 nan 0.000 0.498 290 L N -1.255 120.127 121.223 0.266 0.000 2.095 290 L HA 0.034 4.377 4.340 0.004 0.000 0.204 290 L C 2.256 179.275 176.870 0.249 0.000 1.080 290 L CA 1.387 56.374 54.840 0.245 0.000 0.759 290 L CB -0.626 41.552 42.059 0.198 0.000 0.914 290 L HN 0.170 nan 8.230 nan 0.000 0.439 291 G N -1.702 107.205 108.800 0.178 0.000 3.441 291 G HA2 0.430 4.392 3.960 0.004 0.000 0.263 291 G HA3 0.430 4.392 3.960 0.004 0.000 0.263 291 G C 0.721 175.662 174.900 0.068 0.000 1.014 291 G CA 0.541 45.757 45.100 0.193 0.000 0.833 291 G HN 0.301 nan 8.290 nan 0.000 0.514 292 A N 0.758 123.555 122.820 -0.037 0.000 3.988 292 A HA 0.766 5.088 4.320 0.004 0.000 0.172 292 A C 1.047 178.519 177.584 -0.187 0.000 1.739 292 A CA 1.251 53.236 52.037 -0.086 0.000 1.323 292 A CB -0.312 18.622 19.000 -0.111 0.000 1.178 292 A HN 0.788 nan 8.150 nan 0.000 0.402 293 T N -3.699 110.702 114.554 -0.255 0.000 2.868 293 T HA 0.673 5.025 4.350 0.004 0.000 0.306 293 T C -0.985 173.551 174.700 -0.274 0.000 1.224 293 T CA -0.766 61.141 62.100 -0.322 0.000 1.012 293 T CB 1.353 70.044 68.868 -0.294 0.000 1.221 293 T HN 0.522 nan 8.240 nan 0.000 0.499 294 H N -0.234 118.833 119.070 -0.006 0.000 2.754 294 H HA 0.930 5.488 4.556 0.003 0.000 0.352 294 H C 0.035 175.402 175.328 0.065 0.000 1.213 294 H CA -0.588 55.477 56.048 0.029 0.000 1.244 294 H CB 1.721 31.534 29.762 0.085 0.000 1.843 294 H HN 1.113 nan 8.280 nan 0.000 0.587 295 A N 0.087 123.053 122.820 0.243 0.000 2.588 295 A HA 0.523 4.846 4.320 0.004 0.000 0.290 295 A C -0.347 177.363 177.584 0.210 0.000 1.136 295 A CA -0.623 51.548 52.037 0.224 0.000 0.681 295 A CB 1.103 20.284 19.000 0.301 0.000 1.282 295 A HN 0.573 nan 8.150 nan 0.000 0.421 296 K N -1.320 119.184 120.400 0.174 0.000 3.547 296 K HA -0.195 4.127 4.320 0.004 0.000 0.309 296 K C 0.355 177.023 176.600 0.113 0.000 1.324 296 K CA 1.790 58.160 56.287 0.137 0.000 0.988 296 K CB -1.579 31.023 32.500 0.170 0.000 1.261 296 K HN 0.913 nan 8.250 nan 0.000 0.444 297 Q N 1.956 121.824 119.800 0.114 0.000 2.513 297 Q HA 0.070 4.412 4.340 0.004 0.000 0.227 297 Q C -0.127 175.919 176.000 0.076 0.000 1.257 297 Q CA -0.004 55.855 55.803 0.094 0.000 0.915 297 Q CB 0.164 28.959 28.738 0.095 0.000 1.507 297 Q HN 0.323 nan 8.270 nan 0.000 0.543 298 Q N 2.244 122.089 119.800 0.076 0.000 2.456 298 Q HA 0.628 4.970 4.340 0.004 0.000 0.283 298 Q C -1.177 174.868 176.000 0.076 0.000 1.084 298 Q CA -1.163 54.681 55.803 0.068 0.000 0.801 298 Q CB 1.830 30.607 28.738 0.065 0.000 1.434 298 Q HN 0.274 nan 8.270 nan 0.000 0.419 299 R N 1.049 121.591 120.500 0.070 0.000 2.562 299 R HA 0.500 4.842 4.340 0.004 0.000 0.298 299 R C -1.273 175.081 176.300 0.090 0.000 0.961 299 R CA -0.746 55.403 56.100 0.082 0.000 0.881 299 R CB 1.520 31.855 30.300 0.057 0.000 1.159 299 R HN 0.652 nan 8.270 nan 0.000 0.450 300 N N 1.314 120.094 118.700 0.133 0.000 2.540 300 N HA 0.121 4.864 4.740 0.004 0.000 0.275 300 N C -1.563 174.052 175.510 0.175 0.000 1.053 300 N CA -0.603 52.525 53.050 0.130 0.000 0.876 300 N CB 1.840 40.391 38.487 0.107 0.000 1.284 300 N HN 0.385 nan 8.380 nan 0.000 0.518 301 E N 2.117 122.381 120.200 0.106 0.000 1.941 301 E HA 0.172 4.525 4.350 0.004 0.000 0.275 301 E C -0.643 176.011 176.600 0.089 0.000 1.113 301 E CA -0.023 56.430 56.400 0.089 0.000 0.878 301 E CB 0.930 30.650 29.700 0.033 0.000 1.070 301 E HN 0.412 nan 8.360 nan 0.000 0.399 302 M N 2.016 121.708 119.600 0.152 0.000 2.436 302 M HA 0.554 5.037 4.480 0.004 0.000 0.331 302 M C -0.471 175.905 176.300 0.125 0.000 1.135 302 M CA -0.472 54.901 55.300 0.120 0.000 0.987 302 M CB 1.465 34.131 32.600 0.110 0.000 1.687 302 M HN 0.520 nan 8.290 nan 0.000 0.445 303 G N 3.755 112.625 108.800 0.116 0.000 2.617 303 G HA2 0.644 4.607 3.960 0.004 0.000 0.306 303 G HA3 0.644 4.607 3.960 0.004 0.000 0.306 303 G C -2.471 172.651 174.900 0.369 0.000 1.360 303 G CA -0.490 44.736 45.100 0.209 0.000 0.983 303 G HN 0.644 nan 8.290 nan 0.000 0.496 304 L N 2.120 123.562 121.223 0.366 0.000 2.406 304 L HA 0.855 5.197 4.340 0.004 0.000 0.272 304 L C -0.004 176.913 176.870 0.079 0.000 0.980 304 L CA -0.712 54.235 54.840 0.177 0.000 0.831 304 L CB 1.659 43.717 42.059 -0.001 0.000 1.253 304 L HN 0.780 nan 8.230 nan 0.000 0.406 305 A N 4.772 127.408 122.820 -0.306 0.000 2.317 305 A HA 0.877 5.199 4.320 0.004 0.000 0.327 305 A C -1.096 176.426 177.584 -0.102 0.000 1.178 305 A CA -0.361 51.324 52.037 -0.587 0.000 0.817 305 A CB 0.478 18.716 19.000 -1.270 0.000 1.189 305 A HN 0.756 nan 8.150 nan 0.000 0.489 306 F N 0.152 120.029 119.950 -0.121 0.000 2.662 306 F HA 0.697 5.226 4.527 0.003 0.000 0.312 306 F C -0.571 175.211 175.800 -0.030 0.000 1.113 306 F CA -1.357 56.645 58.000 0.002 0.000 0.951 306 F CB 0.963 40.041 39.000 0.129 0.000 1.344 306 F HN 0.563 nan 8.300 nan 0.000 0.462 307 D N 0.212 120.702 120.400 0.150 0.000 2.466 307 D HA 0.377 5.020 4.640 0.004 0.000 0.262 307 D C 1.389 177.772 176.300 0.137 0.000 1.177 307 D CA -0.329 53.701 54.000 0.050 0.000 1.035 307 D CB 0.843 41.657 40.800 0.023 0.000 1.105 307 D HN 0.853 nan 8.370 nan 0.000 0.551 308 G N -0.775 108.062 108.800 0.063 0.000 2.517 308 G HA2 -0.256 3.706 3.960 0.004 0.000 0.222 308 G HA3 -0.256 3.706 3.960 0.004 0.000 0.222 308 G C 0.761 175.711 174.900 0.083 0.000 1.109 308 G CA 0.720 45.866 45.100 0.077 0.000 0.746 308 G HN 0.530 nan 8.290 nan 0.000 0.576 309 D N -0.322 120.113 120.400 0.060 0.000 2.349 309 D HA 0.239 4.881 4.640 0.004 0.000 0.214 309 D C 1.901 178.201 176.300 -0.000 0.000 1.063 309 D CA 0.760 54.773 54.000 0.021 0.000 0.847 309 D CB 0.100 40.895 40.800 -0.008 0.000 0.933 309 D HN 0.367 nan 8.370 nan 0.000 0.513 310 G N 1.595 110.434 108.800 0.065 0.000 2.157 310 G HA2 -0.318 3.644 3.960 0.004 0.000 0.248 310 G HA3 -0.318 3.644 3.960 0.004 0.000 0.248 310 G C 0.472 175.286 174.900 -0.144 0.000 0.979 310 G CA -0.141 44.943 45.100 -0.026 0.000 0.650 310 G HN 0.371 nan 8.290 nan 0.000 0.529 311 R N 0.121 120.574 120.500 -0.078 0.000 2.347 311 R HA 0.499 4.841 4.340 0.004 0.000 0.304 311 R C 0.046 176.355 176.300 0.014 0.000 1.072 311 R CA -0.607 55.384 56.100 -0.182 0.000 0.980 311 R CB -0.024 30.220 30.300 -0.093 0.000 0.986 311 R HN -0.012 nan 8.270 nan 0.000 0.448 312 F N 5.374 125.334 119.950 0.017 0.000 2.495 312 F HA 0.083 4.611 4.527 0.003 0.000 0.365 312 F C 1.080 176.887 175.800 0.012 0.000 1.090 312 F CA -0.458 57.559 58.000 0.027 0.000 1.235 312 F CB 0.330 39.320 39.000 -0.016 0.000 1.119 312 F HN 0.479 nan 8.300 nan 0.000 0.562 313 L N 1.802 123.129 121.223 0.173 0.000 2.388 313 L HA 0.471 4.813 4.340 0.004 0.000 0.209 313 L C 0.740 177.629 176.870 0.031 0.000 1.061 313 L CA 0.297 55.167 54.840 0.050 0.000 0.834 313 L CB -0.039 41.992 42.059 -0.046 0.000 1.029 313 L HN 0.663 nan 8.230 nan 0.000 0.473 314 A N 0.221 123.033 122.820 -0.014 0.000 2.604 314 A HA 0.689 5.011 4.320 0.004 0.000 0.295 314 A C -1.869 175.768 177.584 0.090 0.000 1.067 314 A CA -0.311 51.751 52.037 0.041 0.000 0.683 314 A CB 1.847 20.879 19.000 0.052 0.000 1.281 314 A HN 0.018 nan 8.150 nan 0.000 0.407 315 L N 0.878 122.197 121.223 0.162 0.000 2.410 315 L HA 0.756 5.098 4.340 0.004 0.000 0.270 315 L C -0.585 176.392 176.870 0.178 0.000 0.983 315 L CA -0.205 54.728 54.840 0.155 0.000 0.822 315 L CB 1.722 43.816 42.059 0.058 0.000 1.285 315 L HN 0.917 nan 8.230 nan 0.000 0.409 316 E N 5.204 125.511 120.200 0.178 0.000 2.222 316 E HA 0.403 4.756 4.350 0.004 0.000 0.267 316 E C -1.705 174.922 176.600 0.046 0.000 0.884 316 E CA -0.673 55.774 56.400 0.079 0.000 0.764 316 E CB 1.818 31.502 29.700 -0.026 0.000 1.169 316 E HN 0.692 nan 8.360 nan 0.000 0.413 317 N N 3.583 122.301 118.700 0.029 0.000 2.503 317 N HA 0.152 4.895 4.740 0.004 0.000 0.287 317 N C -1.681 173.842 175.510 0.022 0.000 1.096 317 N CA -0.489 52.579 53.050 0.030 0.000 0.936 317 N CB 1.605 40.112 38.487 0.033 0.000 1.570 317 N HN 0.491 nan 8.380 nan 0.000 0.504 318 R N 2.716 123.230 120.500 0.023 0.000 2.239 318 R HA 0.287 4.629 4.340 0.004 0.000 0.332 318 R C -1.205 175.115 176.300 0.034 0.000 0.988 318 R CA -0.275 55.837 56.100 0.020 0.000 0.859 318 R CB 1.038 31.344 30.300 0.010 0.000 1.148 318 R HN 0.359 nan 8.270 nan 0.000 0.482 319 S N 5.698 121.418 115.700 0.034 0.000 2.437 319 S HA 0.536 5.009 4.470 0.004 0.000 0.305 319 S C -0.395 174.231 174.600 0.044 0.000 1.109 319 S CA -0.669 57.557 58.200 0.044 0.000 1.099 319 S CB 0.538 63.763 63.200 0.043 0.000 1.004 319 S HN 0.579 nan 8.310 nan 0.000 0.475 320 I N 3.662 124.260 120.570 0.046 0.000 2.498 320 I HA 0.345 4.517 4.170 0.004 0.000 0.290 320 I C -0.223 175.921 176.117 0.046 0.000 1.032 320 I CA -0.647 60.678 61.300 0.042 0.000 1.073 320 I CB 2.464 40.482 38.000 0.030 0.000 1.251 320 I HN 0.402 nan 8.210 nan 0.000 0.426 321 T N 3.362 117.944 114.554 0.047 0.000 2.794 321 T HA 0.147 4.499 4.350 0.004 0.000 0.280 321 T C -0.408 174.310 174.700 0.030 0.000 0.987 321 T CA -0.359 61.770 62.100 0.049 0.000 0.993 321 T CB 1.260 70.168 68.868 0.066 0.000 0.939 321 T HN 0.481 nan 8.240 nan 0.000 0.449 322 D N 2.540 122.956 120.400 0.027 0.000 2.422 322 D HA 0.175 4.817 4.640 0.004 0.000 0.227 322 D C 1.220 177.519 176.300 -0.002 0.000 1.190 322 D CA -0.240 53.760 54.000 0.000 0.000 0.905 322 D CB 0.750 41.551 40.800 0.001 0.000 1.034 322 D HN 0.768 nan 8.370 nan 0.000 0.507 323 G N 2.304 111.095 108.800 -0.016 0.000 2.712 323 G HA2 0.314 4.276 3.960 0.004 0.000 0.212 323 G HA3 0.314 4.276 3.960 0.004 0.000 0.212 323 G C 0.915 175.779 174.900 -0.059 0.000 1.142 323 G CA 0.405 45.497 45.100 -0.013 0.000 0.789 323 G HN 0.865 nan 8.290 nan 0.000 0.535 324 G N -1.250 107.481 108.800 -0.116 0.000 2.728 324 G HA2 0.229 4.192 3.960 0.004 0.000 0.294 324 G HA3 0.229 4.192 3.960 0.004 0.000 0.294 324 G C 0.972 175.738 174.900 -0.224 0.000 1.342 324 G CA 0.128 45.112 45.100 -0.193 0.000 0.866 324 G HN 1.080 nan 8.290 nan 0.000 0.534 325 A N -1.147 121.487 122.820 -0.310 0.000 2.014 325 A HA 0.495 4.817 4.320 0.004 0.000 0.218 325 A C 0.842 178.013 177.584 -0.689 0.000 1.163 325 A CA 2.216 53.951 52.037 -0.503 0.000 0.652 325 A CB -0.155 18.521 19.000 -0.541 0.000 0.808 325 A HN 1.267 nan 8.150 nan 0.000 0.449 326 Y N -2.346 117.923 120.300 -0.053 0.000 2.677 326 Y HA 0.421 4.973 4.550 0.003 0.000 0.334 326 Y C -0.334 175.556 175.900 -0.017 0.000 1.154 326 Y CA -1.532 56.552 58.100 -0.026 0.000 1.070 326 Y CB 0.831 39.292 38.460 0.003 0.000 1.294 326 Y HN 0.034 nan 8.280 nan 0.000 0.475 327 N N 1.790 120.614 118.700 0.207 0.000 2.472 327 N HA 0.176 4.918 4.740 0.004 0.000 0.277 327 N C -0.785 174.825 175.510 0.167 0.000 1.081 327 N CA -0.763 52.397 53.050 0.184 0.000 0.973 327 N CB 0.470 39.106 38.487 0.249 0.000 1.105 327 N HN 0.592 nan 8.380 nan 0.000 0.470 328 N N 2.756 121.552 118.700 0.160 0.000 2.424 328 N HA 0.127 4.869 4.740 0.004 0.000 0.257 328 N C -0.976 174.619 175.510 0.142 0.000 1.250 328 N CA -0.190 52.951 53.050 0.152 0.000 0.946 328 N CB 1.213 39.824 38.487 0.206 0.000 1.175 328 N HN 0.308 nan 8.380 nan 0.000 0.477 329 L N 0.745 122.039 121.223 0.117 0.000 2.346 329 L HA 0.359 4.701 4.340 0.004 0.000 0.276 329 L C -1.761 175.005 176.870 -0.172 0.000 1.006 329 L CA -1.925 52.937 54.840 0.037 0.000 0.817 329 L CB 2.740 44.906 42.059 0.178 0.000 1.272 329 L HN 0.546 nan 8.230 nan 0.000 0.421 330 P HA 0.043 nan 4.420 nan 0.000 0.264 330 P C 0.739 177.671 177.300 -0.613 0.000 1.259 330 P CA 0.342 62.992 63.100 -0.751 0.000 0.841 330 P CB 0.247 31.211 31.700 -1.226 0.000 1.232 331 W N 1.863 123.107 121.300 -0.092 0.000 2.436 331 W HA -0.052 4.609 4.660 0.003 0.000 0.284 331 W C 1.152 177.668 176.519 -0.006 0.000 1.225 331 W CA 1.437 58.740 57.345 -0.069 0.000 1.271 331 W CB -1.388 28.038 29.460 -0.058 0.000 1.114 331 W HN 0.045 nan 8.180 nan 0.000 0.559 332 T N -1.493 113.194 114.554 0.222 0.000 0.541 332 T HA -0.393 3.959 4.350 0.004 0.000 0.774 332 T C 0.492 175.340 174.700 0.248 0.000 0.992 332 T CA 0.956 63.200 62.100 0.239 0.000 4.077 332 T CB -0.656 68.362 68.868 0.251 0.000 2.303 332 T HN 0.459 nan 8.240 nan 0.000 0.398 333 Q N 0.322 120.275 119.800 0.255 0.000 2.508 333 Q HA 0.128 4.470 4.340 0.004 0.000 0.214 333 Q C 2.049 178.161 176.000 0.186 0.000 0.979 333 Q CA 1.210 57.127 55.803 0.190 0.000 0.911 333 Q CB -0.393 28.430 28.738 0.141 0.000 0.969 333 Q HN 0.635 nan 8.270 nan 0.000 0.504 334 L N -0.333 121.003 121.223 0.188 0.000 2.552 334 L HA -0.046 4.296 4.340 0.004 0.000 0.227 334 L C 2.031 178.972 176.870 0.118 0.000 1.146 334 L CA 0.051 54.965 54.840 0.122 0.000 0.858 334 L CB -0.197 41.789 42.059 -0.122 0.000 0.969 334 L HN 0.113 nan 8.230 nan 0.000 0.451 335 V N -0.432 119.551 119.914 0.116 0.000 3.026 335 V HA -0.164 3.959 4.120 0.004 0.000 0.265 335 V C 2.008 178.081 176.094 -0.036 0.000 1.121 335 V CA 1.495 63.820 62.300 0.040 0.000 1.142 335 V CB -0.069 31.812 31.823 0.096 0.000 0.730 335 V HN 0.429 nan 8.190 nan 0.000 0.503 336 E N -0.487 119.731 120.200 0.031 0.000 2.799 336 E HA 0.123 4.475 4.350 0.004 0.000 0.298 336 E C 2.181 178.802 176.600 0.034 0.000 0.805 336 E CA 0.935 57.341 56.400 0.010 0.000 1.265 336 E CB -0.518 29.212 29.700 0.050 0.000 2.052 336 E HN 0.403 nan 8.360 nan 0.000 0.541 337 S N 1.030 116.774 115.700 0.073 0.000 2.370 337 S HA -0.197 4.275 4.470 0.004 0.000 0.226 337 S C 1.757 176.412 174.600 0.092 0.000 1.033 337 S CA 1.384 59.631 58.200 0.078 0.000 1.011 337 S CB -0.519 62.729 63.200 0.080 0.000 0.852 337 S HN 0.322 nan 8.310 nan 0.000 0.457 338 H N 1.426 120.522 119.070 0.044 0.000 2.267 338 H HA -0.106 4.452 4.556 0.004 0.000 0.297 338 H C 2.314 177.663 175.328 0.033 0.000 1.080 338 H CA 2.252 58.326 56.048 0.043 0.000 1.278 338 H CB -0.500 29.296 29.762 0.058 0.000 1.365 338 H HN 0.365 nan 8.280 nan 0.000 0.489 339 V N -0.887 119.148 119.914 0.202 0.000 2.667 339 V HA 0.040 4.162 4.120 0.004 0.000 0.252 339 V C 2.608 178.839 176.094 0.229 0.000 1.065 339 V CA 1.589 63.997 62.300 0.180 0.000 1.083 339 V CB -1.249 30.644 31.823 0.117 0.000 0.692 339 V HN 0.431 nan 8.190 nan 0.000 0.468 340 G N 0.645 109.530 108.800 0.141 0.000 2.421 340 G HA2 -0.259 3.703 3.960 0.004 0.000 0.216 340 G HA3 -0.259 3.703 3.960 0.004 0.000 0.216 340 G C 1.428 176.422 174.900 0.156 0.000 1.171 340 G CA 1.045 46.276 45.100 0.218 0.000 0.775 340 G HN 0.612 nan 8.290 nan 0.000 0.543 341 N N 0.763 119.496 118.700 0.055 0.000 2.381 341 N HA -0.008 4.734 4.740 0.004 0.000 0.182 341 N C 2.453 177.952 175.510 -0.018 0.000 1.025 341 N CA 0.463 53.520 53.050 0.012 0.000 0.888 341 N CB -0.063 38.404 38.487 -0.033 0.000 0.965 341 N HN 0.353 nan 8.380 nan 0.000 0.438 342 A N 0.816 123.602 122.820 -0.057 0.000 2.019 342 A HA -0.072 4.250 4.320 0.004 0.000 0.219 342 A C 1.850 179.405 177.584 -0.048 0.000 1.164 342 A CA 1.241 53.172 52.037 -0.176 0.000 0.644 342 A CB -0.168 18.629 19.000 -0.338 0.000 0.805 342 A HN 0.235 nan 8.150 nan 0.000 0.449 343 V N -3.662 116.300 119.914 0.080 0.000 3.085 343 V HA 0.326 4.449 4.120 0.004 0.000 0.345 343 V C 1.354 177.515 176.094 0.112 0.000 1.397 343 V CA -0.000 62.379 62.300 0.132 0.000 1.165 343 V CB -0.394 31.448 31.823 0.033 0.000 1.153 343 V HN 0.189 nan 8.190 nan 0.000 0.495 344 I N 0.846 121.477 120.570 0.102 0.000 2.423 344 I HA -0.123 4.050 4.170 0.004 0.000 0.254 344 I C 1.869 178.052 176.117 0.111 0.000 1.151 344 I CA 1.877 63.232 61.300 0.091 0.000 1.421 344 I CB -0.049 37.990 38.000 0.065 0.000 1.079 344 I HN 0.403 nan 8.210 nan 0.000 0.431 345 L N -0.640 120.669 121.223 0.142 0.000 2.418 345 L HA 0.189 4.531 4.340 0.004 0.000 0.218 345 L C 1.848 178.845 176.870 0.212 0.000 1.125 345 L CA 0.447 55.402 54.840 0.191 0.000 0.835 345 L CB -1.209 40.978 42.059 0.214 0.000 0.953 345 L HN 0.477 nan 8.230 nan 0.000 0.454 346 G N 0.570 109.453 108.800 0.140 0.000 2.660 346 G HA2 -0.402 3.560 3.960 0.004 0.000 0.321 346 G HA3 -0.402 3.560 3.960 0.004 0.000 0.321 346 G C 0.720 175.582 174.900 -0.064 0.000 1.246 346 G CA 0.434 45.556 45.100 0.037 0.000 1.000 346 G HN 0.044 nan 8.290 nan 0.000 0.550 347 V N 1.311 120.950 119.914 -0.458 0.000 3.649 347 V HA 0.377 4.499 4.120 0.004 0.000 0.275 347 V C 0.337 175.986 176.094 -0.742 0.000 1.281 347 V CA 0.653 62.458 62.300 -0.826 0.000 1.143 347 V CB -0.652 30.428 31.823 -1.238 0.000 0.892 347 V HN 0.404 nan 8.190 nan 0.000 0.441 348 Y N 0.150 120.419 120.300 -0.052 0.000 2.453 348 Y HA 0.496 5.048 4.550 0.003 0.000 0.326 348 Y C 0.601 176.515 175.900 0.024 0.000 1.186 348 Y CA -1.289 56.819 58.100 0.013 0.000 1.200 348 Y CB 0.720 39.311 38.460 0.219 0.000 1.247 348 Y HN -0.120 nan 8.280 nan 0.000 0.482 349 K N 1.844 122.332 120.400 0.147 0.000 2.268 349 K HA 0.519 4.842 4.320 0.004 0.000 0.276 349 K C -1.463 175.268 176.600 0.218 0.000 1.080 349 K CA -0.406 55.934 56.287 0.088 0.000 0.910 349 K CB 0.911 33.297 32.500 -0.189 0.000 1.163 349 K HN 0.341 nan 8.250 nan 0.000 0.465 350 V N 5.722 125.790 119.914 0.258 0.000 2.409 350 V HA 0.143 4.265 4.120 0.004 0.000 0.290 350 V C -1.295 174.913 176.094 0.190 0.000 1.017 350 V CA -1.409 61.030 62.300 0.232 0.000 0.841 350 V CB 1.453 33.404 31.823 0.212 0.000 1.003 350 V HN 0.679 nan 8.190 nan 0.000 0.426 351 P HA -0.017 nan 4.420 nan 0.000 0.217 351 P C 0.409 177.773 177.300 0.106 0.000 1.150 351 P CA 0.918 64.094 63.100 0.128 0.000 0.832 351 P CB 0.704 32.466 31.700 0.103 0.000 0.787 352 A N 0.059 122.941 122.820 0.104 0.000 2.331 352 A HA 0.603 4.925 4.320 0.004 0.000 0.320 352 A C -0.777 176.874 177.584 0.112 0.000 1.138 352 A CA -0.516 51.579 52.037 0.097 0.000 0.790 352 A CB 1.644 20.699 19.000 0.092 0.000 1.206 352 A HN -0.065 nan 8.150 nan 0.000 0.470 353 V N 1.104 121.078 119.914 0.100 0.000 2.888 353 V HA 0.741 4.863 4.120 0.004 0.000 0.309 353 V C -0.225 175.916 176.094 0.078 0.000 1.114 353 V CA -0.486 61.873 62.300 0.098 0.000 0.940 353 V CB 2.186 34.062 31.823 0.090 0.000 1.021 353 V HN 0.945 nan 8.190 nan 0.000 0.426 354 S N 3.107 118.851 115.700 0.074 0.000 2.779 354 S HA 0.775 5.248 4.470 0.004 0.000 0.293 354 S C -1.126 173.493 174.600 0.033 0.000 1.150 354 S CA -0.467 57.761 58.200 0.047 0.000 1.057 354 S CB 1.014 64.238 63.200 0.041 0.000 1.021 354 S HN 1.036 nan 8.310 nan 0.000 0.485 355 E N 2.571 122.784 120.200 0.022 0.000 2.413 355 E HA 0.714 5.066 4.350 0.004 0.000 0.277 355 E C -1.130 175.472 176.600 0.004 0.000 0.958 355 E CA -0.866 55.542 56.400 0.013 0.000 0.779 355 E CB 1.133 30.842 29.700 0.015 0.000 1.278 355 E HN 0.437 nan 8.360 nan 0.000 0.456 356 E N 0.641 120.844 120.200 0.004 0.000 2.343 356 E HA 0.537 4.889 4.350 0.004 0.000 0.278 356 E C -1.574 175.033 176.600 0.011 0.000 0.910 356 E CA -0.841 55.563 56.400 0.006 0.000 0.757 356 E CB 1.552 31.259 29.700 0.011 0.000 1.218 356 E HN 0.647 nan 8.360 nan 0.000 0.435 357 S N 4.051 119.761 115.700 0.016 0.000 2.478 357 S HA 0.672 5.144 4.470 0.004 0.000 0.312 357 S C -0.374 174.267 174.600 0.069 0.000 1.094 357 S CA -0.757 57.466 58.200 0.038 0.000 1.081 357 S CB 0.718 63.933 63.200 0.024 0.000 1.007 357 S HN 0.432 nan 8.310 nan 0.000 0.475 358 I N 2.086 122.695 120.570 0.065 0.000 2.466 358 I HA 0.645 4.818 4.170 0.004 0.000 0.289 358 I C -0.234 175.919 176.117 0.061 0.000 1.026 358 I CA -1.016 60.320 61.300 0.060 0.000 1.078 358 I CB 2.030 40.051 38.000 0.035 0.000 1.249 358 I HN 0.849 nan 8.210 nan 0.000 0.429 359 A N 6.541 129.398 122.820 0.063 0.000 2.287 359 A HA 0.805 5.127 4.320 0.004 0.000 0.317 359 A C -0.527 177.059 177.584 0.003 0.000 1.220 359 A CA -0.563 51.504 52.037 0.049 0.000 0.835 359 A CB 1.158 20.209 19.000 0.084 0.000 1.180 359 A HN 0.586 nan 8.150 nan 0.000 0.500 360 V N 0.131 120.038 119.914 -0.011 0.000 2.628 360 V HA 0.915 5.038 4.120 0.004 0.000 0.306 360 V C 0.322 176.378 176.094 -0.063 0.000 1.045 360 V CA -0.585 61.691 62.300 -0.040 0.000 0.905 360 V CB 1.151 32.953 31.823 -0.035 0.000 0.997 360 V HN 1.473 nan 8.190 nan 0.000 0.436 361 A N 3.406 126.172 122.820 -0.091 0.000 2.354 361 A HA 0.832 5.154 4.320 0.004 0.000 0.269 361 A C 0.509 178.014 177.584 -0.133 0.000 1.109 361 A CA 0.321 52.282 52.037 -0.126 0.000 0.800 361 A CB 0.343 19.250 19.000 -0.155 0.000 1.045 361 A HN 1.696 nan 8.150 nan 0.000 0.489 362 T N -0.828 113.630 114.554 -0.160 0.000 2.883 362 T HA 0.446 4.798 4.350 0.004 0.000 0.296 362 T C -0.478 174.100 174.700 -0.203 0.000 1.117 362 T CA -0.929 61.072 62.100 -0.165 0.000 1.006 362 T CB 1.023 69.795 68.868 -0.159 0.000 1.191 362 T HN 0.438 nan 8.240 nan 0.000 0.508 363 N N 1.161 119.752 118.700 -0.181 0.000 3.050 363 N HA 0.338 5.080 4.740 0.004 0.000 0.289 363 N C -0.559 174.869 175.510 -0.137 0.000 1.209 363 N CA -0.307 52.663 53.050 -0.133 0.000 1.154 363 N CB 0.036 38.473 38.487 -0.083 0.000 1.444 363 N HN 0.391 nan 8.380 nan 0.000 0.529 364 K N -0.267 119.988 120.400 -0.240 0.000 2.469 364 K HA 0.406 4.728 4.320 0.004 0.000 0.268 364 K C -0.888 175.429 176.600 -0.470 0.000 1.027 364 K CA -0.873 55.157 56.287 -0.427 0.000 0.893 364 K CB 1.535 33.552 32.500 -0.805 0.000 1.460 364 K HN 0.098 nan 8.250 nan 0.000 0.449 365 C N 3.044 122.073 119.300 -0.451 0.000 2.665 365 C HA 0.177 4.639 4.460 0.004 0.000 0.416 365 C C -1.995 172.673 174.990 -0.536 0.000 1.305 365 C CA -1.039 57.435 59.018 -0.908 0.000 1.903 365 C CB -0.528 26.884 27.740 -0.545 0.000 2.704 365 C HN 0.435 nan 8.230 nan 0.000 0.629 366 P HA 0.126 nan 4.420 nan 0.000 0.268 366 P C -0.309 176.912 177.300 -0.132 0.000 1.205 366 P CA 0.044 63.024 63.100 -0.199 0.000 0.771 366 P CB 0.393 32.055 31.700 -0.063 0.000 0.858 367 I N 2.095 122.644 120.570 -0.036 0.000 2.779 367 I HA 0.447 4.619 4.170 0.004 0.000 0.285 367 I C 0.844 177.001 176.117 0.066 0.000 1.134 367 I CA 0.990 62.312 61.300 0.036 0.000 1.398 367 I CB 0.290 38.332 38.000 0.071 0.000 1.404 367 I HN 0.592 nan 8.210 nan 0.000 0.587 368 G N 4.324 113.192 108.800 0.113 0.000 2.721 368 G HA2 0.713 4.675 3.960 0.004 0.000 0.296 368 G HA3 0.713 4.675 3.960 0.004 0.000 0.296 368 G C -1.654 173.462 174.900 0.360 0.000 1.383 368 G CA -0.353 44.896 45.100 0.249 0.000 0.788 368 G HN 0.833 nan 8.290 nan 0.000 0.500 369 A N -0.662 122.516 122.820 0.597 0.000 2.409 369 A HA 0.612 4.934 4.320 0.004 0.000 0.262 369 A C -1.184 176.602 177.584 0.335 0.000 1.113 369 A CA -0.083 52.083 52.037 0.215 0.000 0.790 369 A CB 0.274 19.118 19.000 -0.260 0.000 1.046 369 A HN 1.477 nan 8.150 nan 0.000 0.496 370 Y N 2.487 122.826 120.300 0.066 0.000 2.401 370 Y HA 0.416 4.968 4.550 0.004 0.000 0.330 370 Y C 0.191 176.121 175.900 0.049 0.000 1.071 370 Y CA -1.370 56.792 58.100 0.104 0.000 1.049 370 Y CB 1.063 39.594 38.460 0.118 0.000 1.239 370 Y HN 0.905 nan 8.280 nan 0.000 0.437 371 R N 3.597 123.982 120.500 -0.192 0.000 4.180 371 R HA -0.060 4.282 4.340 0.004 0.000 0.125 371 R C 1.135 177.244 176.300 -0.320 0.000 0.390 371 R CA 2.327 58.263 56.100 -0.273 0.000 0.811 371 R CB -0.841 29.268 30.300 -0.318 0.000 1.084 371 R HN 1.419 nan 8.270 nan 0.000 0.234 372 G N 1.700 110.412 108.800 -0.147 0.000 2.213 372 G HA2 -0.379 3.583 3.960 0.004 0.000 0.236 372 G HA3 -0.379 3.583 3.960 0.004 0.000 0.236 372 G C 0.617 175.410 174.900 -0.179 0.000 0.991 372 G CA 0.081 45.138 45.100 -0.071 0.000 0.629 372 G HN 1.615 nan 8.290 nan 0.000 0.517 373 V N -2.414 117.350 119.914 -0.250 0.000 0.691 373 V HA -0.290 3.832 4.120 0.004 0.000 0.092 373 V C 2.273 178.184 176.094 -0.304 0.000 0.770 373 V CA 2.804 64.918 62.300 -0.311 0.000 3.097 373 V CB -1.407 30.113 31.823 -0.505 0.000 0.182 373 V HN 2.011 nan 8.190 nan 0.000 0.067 374 G N -1.044 107.499 108.800 -0.428 0.000 2.776 374 G HA2 0.115 4.077 3.960 0.004 0.000 0.209 374 G HA3 0.115 4.077 3.960 0.004 0.000 0.209 374 G C 0.746 175.578 174.900 -0.113 0.000 1.145 374 G CA 0.914 45.876 45.100 -0.231 0.000 0.791 374 G HN 0.769 nan 8.290 nan 0.000 0.530 375 F N 1.308 121.261 119.950 0.005 0.000 2.259 375 F HA 0.043 4.572 4.527 0.004 0.000 0.298 375 F C 2.761 178.553 175.800 -0.014 0.000 1.088 375 F CA 0.945 58.949 58.000 0.005 0.000 1.358 375 F CB -1.166 37.839 39.000 0.008 0.000 1.040 375 F HN 0.004 nan 8.300 nan 0.000 0.505 376 T N 0.477 115.101 114.554 0.117 0.000 2.652 376 T HA -0.232 4.121 4.350 0.004 0.000 0.267 376 T C 2.396 177.113 174.700 0.030 0.000 1.039 376 T CA 1.637 63.762 62.100 0.042 0.000 1.153 376 T CB -0.809 68.055 68.868 -0.008 0.000 0.863 376 T HN 0.284 nan 8.240 nan 0.000 0.428 377 A N 1.517 124.357 122.820 0.033 0.000 1.892 377 A HA 0.008 4.330 4.320 0.004 0.000 0.218 377 A C 2.665 180.236 177.584 -0.021 0.000 1.188 377 A CA 2.089 54.140 52.037 0.022 0.000 0.631 377 A CB -1.467 17.559 19.000 0.044 0.000 0.822 377 A HN 0.538 nan 8.150 nan 0.000 0.447 378 G N -1.367 107.439 108.800 0.009 0.000 2.422 378 G HA2 -0.187 3.775 3.960 0.004 0.000 0.218 378 G HA3 -0.187 3.775 3.960 0.004 0.000 0.218 378 G C 1.587 176.455 174.900 -0.053 0.000 1.140 378 G CA 1.257 46.344 45.100 -0.021 0.000 0.775 378 G HN 0.569 nan 8.290 nan 0.000 0.545 379 Q N 0.412 120.211 119.800 -0.002 0.000 2.084 379 Q HA -0.000 4.342 4.340 0.004 0.000 0.202 379 Q C 2.390 178.350 176.000 -0.067 0.000 0.978 379 Q CA 1.184 56.989 55.803 0.004 0.000 0.844 379 Q CB -0.354 28.407 28.738 0.039 0.000 0.898 379 Q HN 0.551 nan 8.270 nan 0.000 0.426 380 I N 0.049 120.559 120.570 -0.100 0.000 2.142 380 I HA -0.312 3.860 4.170 0.004 0.000 0.240 380 I C 2.259 178.138 176.117 -0.397 0.000 1.078 380 I CA 1.097 62.309 61.300 -0.147 0.000 1.343 380 I CB -0.620 37.334 38.000 -0.075 0.000 1.046 380 I HN 0.336 nan 8.210 nan 0.000 0.405 381 A N 0.666 123.070 122.820 -0.693 0.000 1.865 381 A HA -0.274 4.048 4.320 0.004 0.000 0.217 381 A C 2.459 179.588 177.584 -0.759 0.000 1.191 381 A CA 2.000 53.145 52.037 -1.486 0.000 0.623 381 A CB -0.765 17.584 19.000 -1.085 0.000 0.826 381 A HN 0.336 nan 8.150 nan 0.000 0.444 382 R N -0.675 119.598 120.500 -0.378 0.000 2.070 382 R HA -0.153 4.189 4.340 0.004 0.000 0.233 382 R C 2.034 178.212 176.300 -0.202 0.000 1.137 382 R CA 1.678 57.637 56.100 -0.235 0.000 0.945 382 R CB -0.263 29.961 30.300 -0.126 0.000 0.845 382 R HN 0.497 nan 8.270 nan 0.000 0.430 383 E N -0.247 119.874 120.200 -0.132 0.000 2.153 383 E HA -0.133 4.219 4.350 0.004 0.000 0.194 383 E C 1.927 178.477 176.600 -0.084 0.000 0.988 383 E CA 1.576 57.931 56.400 -0.075 0.000 0.811 383 E CB -0.296 29.401 29.700 -0.005 0.000 0.746 383 E HN 0.396 nan 8.360 nan 0.000 0.466 384 T N 1.696 116.194 114.554 -0.093 0.000 2.777 384 T HA -0.028 4.324 4.350 0.004 0.000 0.266 384 T C 2.086 176.807 174.700 0.034 0.000 1.040 384 T CA 0.595 62.703 62.100 0.013 0.000 1.141 384 T CB -0.105 68.855 68.868 0.153 0.000 0.868 384 T HN 0.092 nan 8.240 nan 0.000 0.444 385 L N 0.269 121.488 121.223 -0.007 0.000 2.093 385 L HA 0.027 4.370 4.340 0.004 0.000 0.208 385 L C 2.401 179.207 176.870 -0.106 0.000 1.085 385 L CA 1.040 55.882 54.840 0.004 0.000 0.755 385 L CB -0.534 41.522 42.059 -0.004 0.000 0.904 385 L HN 0.278 nan 8.230 nan 0.000 0.435 386 I N -0.063 120.397 120.570 -0.182 0.000 2.226 386 I HA -0.291 3.881 4.170 0.004 0.000 0.245 386 I C 1.996 178.026 176.117 -0.144 0.000 1.100 386 I CA 1.242 62.413 61.300 -0.214 0.000 1.374 386 I CB -0.333 37.525 38.000 -0.236 0.000 1.057 386 I HN 0.236 nan 8.210 nan 0.000 0.413 387 D N 0.427 120.766 120.400 -0.103 0.000 2.144 387 D HA -0.181 4.461 4.640 0.004 0.000 0.199 387 D C 2.236 178.498 176.300 -0.063 0.000 0.984 387 D CA 0.968 54.918 54.000 -0.083 0.000 0.834 387 D CB -0.197 40.568 40.800 -0.058 0.000 0.955 387 D HN 0.161 nan 8.370 nan 0.000 0.465 388 R N 0.234 120.709 120.500 -0.042 0.000 2.092 388 R HA -0.050 4.292 4.340 0.004 0.000 0.231 388 R C 2.000 178.270 176.300 -0.049 0.000 1.119 388 R CA 1.271 57.363 56.100 -0.012 0.000 0.970 388 R CB -0.067 30.254 30.300 0.035 0.000 0.864 388 R HN 0.124 nan 8.270 nan 0.000 0.440 389 A N 0.660 123.382 122.820 -0.163 0.000 1.898 389 A HA -0.065 4.257 4.320 0.004 0.000 0.216 389 A C 2.328 179.734 177.584 -0.296 0.000 1.181 389 A CA 1.511 53.301 52.037 -0.411 0.000 0.620 389 A CB -0.719 17.714 19.000 -0.945 0.000 0.819 389 A HN 0.501 nan 8.150 nan 0.000 0.442 390 A N -0.185 122.512 122.820 -0.204 0.000 1.883 390 A HA -0.198 4.124 4.320 0.004 0.000 0.217 390 A C 2.261 179.810 177.584 -0.057 0.000 1.186 390 A CA 1.638 53.601 52.037 -0.122 0.000 0.624 390 A CB -0.533 18.410 19.000 -0.095 0.000 0.822 390 A HN 0.523 nan 8.150 nan 0.000 0.444 391 R N -0.786 119.693 120.500 -0.036 0.000 2.091 391 R HA -0.168 4.174 4.340 0.004 0.000 0.238 391 R C 2.449 178.760 176.300 0.018 0.000 1.136 391 R CA 1.756 57.857 56.100 0.001 0.000 0.959 391 R CB -0.313 29.995 30.300 0.013 0.000 0.856 391 R HN 0.699 nan 8.270 nan 0.000 0.437 392 Q N 0.042 119.858 119.800 0.027 0.000 2.167 392 Q HA -0.069 4.273 4.340 0.004 0.000 0.202 392 Q C 1.794 177.839 176.000 0.076 0.000 0.970 392 Q CA 0.942 56.787 55.803 0.070 0.000 0.855 392 Q CB 0.164 28.984 28.738 0.137 0.000 0.911 392 Q HN 0.359 nan 8.270 nan 0.000 0.438 393 L N -1.349 119.905 121.223 0.051 0.000 2.585 393 L HA 0.206 4.548 4.340 0.004 0.000 0.226 393 L C 0.995 177.883 176.870 0.030 0.000 1.113 393 L CA 0.294 55.167 54.840 0.055 0.000 0.876 393 L CB 0.278 42.364 42.059 0.043 0.000 1.072 393 L HN 0.338 nan 8.230 nan 0.000 0.468 394 G N 1.017 109.829 108.800 0.021 0.000 2.160 394 G HA2 -0.256 3.707 3.960 0.004 0.000 0.244 394 G HA3 -0.256 3.707 3.960 0.004 0.000 0.244 394 G C -0.040 174.869 174.900 0.015 0.000 1.022 394 G CA -0.076 45.036 45.100 0.020 0.000 0.741 394 G HN 0.218 nan 8.290 nan 0.000 0.508 395 L N 0.948 122.173 121.223 0.003 0.000 2.331 395 L HA 0.675 5.017 4.340 0.004 0.000 0.275 395 L C 1.244 178.122 176.870 0.013 0.000 1.022 395 L CA -0.496 54.346 54.840 0.002 0.000 0.812 395 L CB 1.835 43.880 42.059 -0.024 0.000 1.257 395 L HN 0.384 nan 8.230 nan 0.000 0.435 396 S N 1.689 117.416 115.700 0.046 0.000 2.585 396 S HA 0.244 4.716 4.470 0.004 0.000 0.273 396 S C -1.554 173.060 174.600 0.024 0.000 1.339 396 S CA -0.998 57.253 58.200 0.086 0.000 1.028 396 S CB 0.958 64.278 63.200 0.200 0.000 0.906 396 S HN 0.529 nan 8.310 nan 0.000 0.528 397 P HA -0.118 nan 4.420 nan 0.000 0.219 397 P C 0.957 178.100 177.300 -0.262 0.000 1.146 397 P CA 1.260 64.221 63.100 -0.232 0.000 0.808 397 P CB -0.170 31.298 31.700 -0.387 0.000 0.779 398 F N 0.683 120.629 119.950 -0.007 0.000 2.163 398 F HA -0.058 4.470 4.527 0.003 0.000 0.297 398 F C 2.722 178.516 175.800 -0.009 0.000 1.094 398 F CA 1.056 59.054 58.000 -0.004 0.000 1.290 398 F CB -1.110 37.879 39.000 -0.018 0.000 1.017 398 F HN -0.056 nan 8.300 nan 0.000 0.483 399 E N 1.218 121.517 120.200 0.164 0.000 2.047 399 E HA -0.200 4.152 4.350 0.004 0.000 0.191 399 E C 2.111 178.710 176.600 -0.001 0.000 0.987 399 E CA 1.224 57.664 56.400 0.068 0.000 0.799 399 E CB -0.597 29.132 29.700 0.047 0.000 0.752 399 E HN 0.466 nan 8.360 nan 0.000 0.449 400 I N -0.002 120.547 120.570 -0.035 0.000 2.454 400 I HA -0.263 3.909 4.170 0.004 0.000 0.254 400 I C 2.031 178.072 176.117 -0.126 0.000 1.156 400 I CA 1.100 62.335 61.300 -0.109 0.000 1.433 400 I CB 0.011 37.940 38.000 -0.119 0.000 1.082 400 I HN 0.088 nan 8.210 nan 0.000 0.432 401 R N 0.036 120.527 120.500 -0.015 0.000 2.119 401 R HA -0.040 4.302 4.340 0.004 0.000 0.222 401 R C 2.327 178.672 176.300 0.074 0.000 1.088 401 R CA 0.735 56.895 56.100 0.099 0.000 0.984 401 R CB -0.207 30.211 30.300 0.197 0.000 0.884 401 R HN 0.370 nan 8.270 nan 0.000 0.447 402 R N 0.597 121.119 120.500 0.036 0.000 2.096 402 R HA -0.081 4.261 4.340 0.004 0.000 0.235 402 R C 1.871 178.145 176.300 -0.044 0.000 1.127 402 R CA 1.174 57.283 56.100 0.015 0.000 0.968 402 R CB -0.131 30.180 30.300 0.017 0.000 0.861 402 R HN 0.192 nan 8.270 nan 0.000 0.440 403 R N 0.069 120.509 120.500 -0.100 0.000 2.323 403 R HA 0.075 4.417 4.340 0.004 0.000 0.198 403 R C 0.811 176.962 176.300 -0.248 0.000 0.988 403 R CA 0.421 56.424 56.100 -0.161 0.000 1.041 403 R CB 0.124 30.316 30.300 -0.180 0.000 0.926 403 R HN 0.271 nan 8.270 nan 0.000 0.476 404 N N -0.618 117.943 118.700 -0.231 0.000 2.129 404 N HA 0.014 4.756 4.740 0.004 0.000 0.222 404 N C -0.173 175.341 175.510 0.007 0.000 1.303 404 N CA 0.023 52.922 53.050 -0.250 0.000 0.897 404 N CB 1.194 39.238 38.487 -0.739 0.000 1.093 404 N HN -0.081 nan 8.380 nan 0.000 0.501 405 V N 2.066 122.002 119.914 0.037 0.000 2.881 405 V HA 0.158 4.280 4.120 0.004 0.000 0.303 405 V C 0.408 176.406 176.094 -0.159 0.000 1.070 405 V CA -0.278 61.997 62.300 -0.042 0.000 1.074 405 V CB 1.522 33.337 31.823 -0.013 0.000 1.012 405 V HN -0.147 nan 8.190 nan 0.000 0.482 406 V N 8.291 128.061 119.914 -0.241 0.000 2.493 406 V HA 0.043 4.165 4.120 0.004 0.000 0.292 406 V C 0.751 176.701 176.094 -0.241 0.000 1.016 406 V CA 0.154 62.170 62.300 -0.473 0.000 1.097 406 V CB 0.502 31.905 31.823 -0.701 0.000 0.947 406 V HN 0.739 nan 8.190 nan 0.000 0.479 407 M N 7.319 126.768 119.600 -0.251 0.000 2.247 407 M HA 0.274 4.756 4.480 0.004 0.000 0.326 407 M C -1.170 175.187 176.300 0.094 0.000 1.134 407 M CA -2.380 52.884 55.300 -0.060 0.000 1.136 407 M CB 0.366 32.919 32.600 -0.078 0.000 1.454 407 M HN 0.232 nan 8.290 nan 0.000 0.467 408 P HA -0.204 nan 4.420 nan 0.000 0.216 408 P C 0.979 178.417 177.300 0.229 0.000 1.150 408 P CA 1.437 64.670 63.100 0.222 0.000 0.843 408 P CB 0.008 31.736 31.700 0.046 0.000 0.787 409 E N -1.068 119.195 120.200 0.106 0.000 2.435 409 E HA -0.112 4.240 4.350 0.004 0.000 0.195 409 E C 0.707 177.347 176.600 0.066 0.000 1.029 409 E CA 0.888 57.331 56.400 0.072 0.000 0.865 409 E CB -0.782 28.933 29.700 0.025 0.000 0.833 409 E HN 0.252 nan 8.360 nan 0.000 0.510 410 D N 0.572 120.982 120.400 0.017 0.000 2.289 410 D HA 0.037 4.679 4.640 0.004 0.000 0.207 410 D C -0.038 176.246 176.300 -0.027 0.000 0.966 410 D CA 0.210 54.163 54.000 -0.078 0.000 0.868 410 D CB -0.253 40.343 40.800 -0.339 0.000 0.943 410 D HN 0.113 nan 8.370 nan 0.000 0.514 411 F N 2.601 122.563 119.950 0.020 0.000 2.538 411 F HA 0.169 4.698 4.527 0.004 0.000 0.371 411 F C -1.279 174.544 175.800 0.039 0.000 1.087 411 F CA -1.537 56.488 58.000 0.041 0.000 1.250 411 F CB -0.156 38.829 39.000 -0.025 0.000 1.110 411 F HN -0.144 nan 8.300 nan 0.000 0.570 412 P HA 0.245 nan 4.420 nan 0.000 0.285 412 P C -1.300 176.081 177.300 0.134 0.000 1.259 412 P CA -0.233 62.975 63.100 0.180 0.000 0.794 412 P CB 1.212 32.981 31.700 0.115 0.000 0.940 413 F N 1.559 121.472 119.950 -0.062 0.000 2.539 413 F HA 0.395 4.925 4.527 0.006 0.000 0.318 413 F C -0.728 175.108 175.800 0.059 0.000 1.135 413 F CA -0.217 57.740 58.000 -0.070 0.000 0.915 413 F CB 2.002 40.859 39.000 -0.239 0.000 1.176 413 F HN 0.118 nan 8.300 nan 0.000 0.440 414 T N 6.065 120.197 114.554 -0.702 0.000 2.758 414 T HA 0.266 4.618 4.350 0.004 0.000 0.285 414 T C -0.239 174.059 174.700 -0.669 0.000 0.981 414 T CA -0.728 61.113 62.100 -0.431 0.000 0.965 414 T CB 0.486 69.195 68.868 -0.265 0.000 0.927 414 T HN 0.686 nan 8.240 nan 0.000 0.448 415 N N 2.148 120.766 118.700 -0.137 0.000 2.364 415 N HA 0.183 4.925 4.740 0.004 0.000 0.264 415 N C 1.162 176.698 175.510 0.042 0.000 1.263 415 N CA -0.842 52.256 53.050 0.080 0.000 0.959 415 N CB 0.509 39.225 38.487 0.381 0.000 1.204 415 N HN 0.295 nan 8.380 nan 0.000 0.550 416 R N -0.392 120.174 120.500 0.110 0.000 2.159 416 R HA 0.069 4.411 4.340 0.004 0.000 0.237 416 R C 1.024 177.372 176.300 0.081 0.000 1.131 416 R CA 1.417 57.566 56.100 0.083 0.000 0.982 416 R CB -0.733 29.630 30.300 0.105 0.000 0.868 416 R HN 0.733 nan 8.270 nan 0.000 0.453 417 L N -0.790 120.503 121.223 0.116 0.000 2.629 417 L HA 0.299 4.641 4.340 0.004 0.000 0.230 417 L C 1.005 177.972 176.870 0.161 0.000 1.151 417 L CA 0.373 55.282 54.840 0.115 0.000 0.924 417 L CB 0.107 42.238 42.059 0.121 0.000 1.137 417 L HN 0.578 nan 8.230 nan 0.000 0.457 418 G N 0.181 109.063 108.800 0.137 0.000 2.159 418 G HA2 -0.329 3.633 3.960 0.004 0.000 0.256 418 G HA3 -0.329 3.633 3.960 0.004 0.000 0.256 418 G C 0.244 175.249 174.900 0.175 0.000 0.977 418 G CA 0.047 45.235 45.100 0.147 0.000 0.652 418 G HN 0.452 nan 8.290 nan 0.000 0.531 419 Q N 1.063 120.968 119.800 0.175 0.000 2.279 419 Q HA 0.524 4.866 4.340 0.004 0.000 0.256 419 Q C -0.472 175.424 176.000 -0.174 0.000 0.937 419 Q CA 0.019 55.740 55.803 -0.136 0.000 0.933 419 Q CB 0.504 29.135 28.738 -0.178 0.000 1.189 419 Q HN 0.197 nan 8.270 nan 0.000 0.417 420 T N 4.521 118.929 114.554 -0.243 0.000 2.743 420 T HA 0.248 4.601 4.350 0.004 0.000 0.292 420 T C -1.124 173.503 174.700 -0.123 0.000 0.972 420 T CA -0.502 61.532 62.100 -0.110 0.000 0.967 420 T CB 0.190 69.008 68.868 -0.083 0.000 0.926 420 T HN 0.500 nan 8.240 nan 0.000 0.459 421 H N 2.084 121.188 119.070 0.058 0.000 2.668 421 H HA 0.379 4.936 4.556 0.002 0.000 0.303 421 H C 1.218 176.711 175.328 0.275 0.000 1.074 421 H CA -0.491 55.651 56.048 0.158 0.000 1.406 421 H CB 1.033 30.856 29.762 0.102 0.000 1.442 421 H HN 0.505 nan 8.280 nan 0.000 0.482 422 R N 1.612 122.339 120.500 0.378 0.000 2.225 422 R HA 0.076 4.418 4.340 0.004 0.000 0.194 422 R C -0.223 176.170 176.300 0.154 0.000 0.949 422 R CA 0.324 56.606 56.100 0.303 0.000 1.088 422 R CB 0.789 31.143 30.300 0.091 0.000 1.106 422 R HN 0.666 nan 8.270 nan 0.000 0.566 423 E N 0.444 120.598 120.200 -0.076 0.000 2.343 423 E HA 0.455 4.807 4.350 0.004 0.000 0.288 423 E C -1.064 175.254 176.600 -0.470 0.000 0.907 423 E CA -0.647 55.461 56.400 -0.487 0.000 0.792 423 E CB 1.785 31.316 29.700 -0.282 0.000 1.275 423 E HN 0.155 nan 8.360 nan 0.000 0.402 424 G N 0.669 108.987 108.800 -0.804 0.000 2.495 424 G HA2 0.476 4.438 3.960 0.004 0.000 0.294 424 G HA3 0.476 4.438 3.960 0.004 0.000 0.294 424 G C -0.841 173.710 174.900 -0.581 0.000 1.397 424 G CA -0.208 44.561 45.100 -0.552 0.000 0.790 424 G HN 0.616 nan 8.290 nan 0.000 0.486 425 T N -1.401 112.965 114.554 -0.313 0.000 3.416 425 T HA 0.315 4.667 4.350 0.004 0.000 0.245 425 T C 0.673 175.381 174.700 0.013 0.000 1.081 425 T CA -0.445 61.554 62.100 -0.169 0.000 1.190 425 T CB -0.275 68.530 68.868 -0.106 0.000 1.068 425 T HN 0.369 nan 8.240 nan 0.000 0.580 426 Y N 0.982 121.271 120.300 -0.018 0.000 2.097 426 Y HA -0.017 4.535 4.550 0.003 0.000 0.282 426 Y C 2.206 178.085 175.900 -0.035 0.000 1.152 426 Y CA 0.239 58.311 58.100 -0.047 0.000 1.136 426 Y CB -1.156 37.279 38.460 -0.042 0.000 0.975 426 Y HN 0.398 nan 8.280 nan 0.000 0.498 427 L N 0.478 121.794 121.223 0.155 0.000 2.017 427 L HA -0.214 4.129 4.340 0.004 0.000 0.208 427 L C 2.474 179.371 176.870 0.045 0.000 1.073 427 L CA 2.090 56.978 54.840 0.080 0.000 0.745 427 L CB -1.077 41.013 42.059 0.051 0.000 0.894 427 L HN 0.347 nan 8.230 nan 0.000 0.432 428 Q N -1.480 118.331 119.800 0.018 0.000 2.170 428 Q HA -0.202 4.140 4.340 0.004 0.000 0.203 428 Q C 1.850 177.852 176.000 0.004 0.000 0.976 428 Q CA 2.109 57.909 55.803 -0.004 0.000 0.858 428 Q CB -0.081 28.639 28.738 -0.029 0.000 0.907 428 Q HN 0.580 nan 8.270 nan 0.000 0.433 429 T N 0.880 115.446 114.554 0.019 0.000 2.777 429 T HA -0.098 4.254 4.350 0.004 0.000 0.266 429 T C 1.707 176.436 174.700 0.048 0.000 1.040 429 T CA 1.323 63.433 62.100 0.017 0.000 1.141 429 T CB -0.146 68.723 68.868 0.002 0.000 0.868 429 T HN 0.289 nan 8.240 nan 0.000 0.444 430 I N 1.503 122.121 120.570 0.080 0.000 2.127 430 I HA -0.234 3.938 4.170 0.004 0.000 0.241 430 I C 2.289 178.468 176.117 0.103 0.000 1.075 430 I CA 1.505 62.896 61.300 0.153 0.000 1.334 430 I CB -0.515 37.580 38.000 0.158 0.000 1.040 430 I HN 0.339 nan 8.210 nan 0.000 0.405 431 N N 0.674 119.388 118.700 0.023 0.000 2.120 431 N HA -0.178 4.565 4.740 0.004 0.000 0.188 431 N C 2.031 177.484 175.510 -0.095 0.000 1.024 431 N CA 0.872 53.890 53.050 -0.053 0.000 0.852 431 N CB -0.048 38.415 38.487 -0.040 0.000 1.003 431 N HN 0.297 nan 8.380 nan 0.000 0.424 432 L N 0.597 121.788 121.223 -0.053 0.000 2.056 432 L HA -0.107 4.236 4.340 0.004 0.000 0.207 432 L C 2.193 179.016 176.870 -0.079 0.000 1.078 432 L CA 0.749 55.553 54.840 -0.060 0.000 0.749 432 L CB -0.126 41.914 42.059 -0.031 0.000 0.901 432 L HN 0.228 nan 8.230 nan 0.000 0.433 433 L N 0.309 121.513 121.223 -0.031 0.000 2.046 433 L HA -0.268 4.075 4.340 0.004 0.000 0.208 433 L C 2.405 179.182 176.870 -0.155 0.000 1.077 433 L CA 2.011 56.854 54.840 0.005 0.000 0.747 433 L CB -0.539 41.622 42.059 0.170 0.000 0.896 433 L HN 0.326 nan 8.230 nan 0.000 0.432 434 E N -0.628 119.343 120.200 -0.381 0.000 2.051 434 E HA -0.262 4.090 4.350 0.004 0.000 0.192 434 E C 2.010 178.286 176.600 -0.539 0.000 0.991 434 E CA 1.522 57.341 56.400 -0.968 0.000 0.799 434 E CB -0.148 28.842 29.700 -1.182 0.000 0.748 434 E HN 0.629 nan 8.360 nan 0.000 0.449 435 E N -0.058 119.940 120.200 -0.336 0.000 2.085 435 E HA -0.219 4.133 4.350 0.004 0.000 0.194 435 E C 2.180 178.644 176.600 -0.228 0.000 0.994 435 E CA 1.532 57.794 56.400 -0.231 0.000 0.801 435 E CB -0.094 29.517 29.700 -0.147 0.000 0.743 435 E HN 0.412 nan 8.360 nan 0.000 0.453 436 M N 0.071 119.524 119.600 -0.246 0.000 2.117 436 M HA -0.156 4.326 4.480 0.004 0.000 0.262 436 M C 2.368 178.295 176.300 -0.622 0.000 1.065 436 M CA 1.099 56.233 55.300 -0.276 0.000 1.114 436 M CB -0.064 32.435 32.600 -0.168 0.000 1.361 436 M HN 0.016 nan 8.290 nan 0.000 0.408 437 V N 0.022 119.477 119.914 -0.766 0.000 2.379 437 V HA -0.152 3.970 4.120 0.004 0.000 0.245 437 V C 0.772 176.641 176.094 -0.375 0.000 1.044 437 V CA 1.107 62.893 62.300 -0.856 0.000 1.036 437 V CB -0.936 30.583 31.823 -0.508 0.000 0.664 437 V HN 0.768 nan 8.190 nan 0.000 0.453 438 N N -0.262 118.272 118.700 -0.276 0.000 2.681 438 N HA -0.145 4.597 4.740 0.004 0.000 0.259 438 N C -1.003 174.483 175.510 -0.041 0.000 1.066 438 N CA 0.820 53.788 53.050 -0.138 0.000 0.717 438 N CB -0.615 37.828 38.487 -0.074 0.000 0.885 438 N HN 0.311 nan 8.380 nan 0.000 0.547 439 P HA -0.219 nan 4.420 nan 0.000 0.218 439 P C 1.196 178.587 177.300 0.153 0.000 1.148 439 P CA 1.487 64.665 63.100 0.129 0.000 0.822 439 P CB 0.213 32.000 31.700 0.145 0.000 0.784 440 E N 0.605 120.839 120.200 0.057 0.000 2.058 440 E HA -0.200 4.152 4.350 0.004 0.000 0.194 440 E C 2.067 178.693 176.600 0.043 0.000 0.997 440 E CA 1.506 57.930 56.400 0.040 0.000 0.801 440 E CB -0.558 29.145 29.700 0.005 0.000 0.746 440 E HN 0.134 nan 8.360 nan 0.000 0.450 441 A N 0.588 123.439 122.820 0.051 0.000 1.898 441 A HA -0.150 4.172 4.320 0.004 0.000 0.216 441 A C 2.029 179.653 177.584 0.067 0.000 1.181 441 A CA 1.328 53.394 52.037 0.048 0.000 0.620 441 A CB -0.920 18.113 19.000 0.054 0.000 0.819 441 A HN 0.550 nan 8.150 nan 0.000 0.442 442 F N 0.897 120.856 119.950 0.015 0.000 2.102 442 F HA -0.181 4.349 4.527 0.004 0.000 0.298 442 F C 2.307 178.124 175.800 0.029 0.000 1.105 442 F CA 1.849 59.869 58.000 0.033 0.000 1.239 442 F CB -0.181 38.847 39.000 0.047 0.000 0.991 442 F HN 0.048 nan 8.300 nan 0.000 0.474 443 R N 0.541 120.944 120.500 -0.161 0.000 2.127 443 R HA -0.195 4.147 4.340 0.004 0.000 0.238 443 R C 2.256 178.406 176.300 -0.251 0.000 1.134 443 R CA 1.312 57.267 56.100 -0.242 0.000 0.975 443 R CB -1.302 28.997 30.300 -0.002 0.000 0.865 443 R HN 0.474 nan 8.270 nan 0.000 0.447 444 Q N 1.243 120.946 119.800 -0.163 0.000 2.046 444 Q HA -0.089 4.254 4.340 0.004 0.000 0.200 444 Q C 1.975 177.877 176.000 -0.163 0.000 0.975 444 Q CA 1.395 57.125 55.803 -0.122 0.000 0.836 444 Q CB -0.031 28.668 28.738 -0.064 0.000 0.896 444 Q HN 0.291 nan 8.270 nan 0.000 0.428 445 R N 0.147 120.526 120.500 -0.202 0.000 2.096 445 R HA -0.157 4.186 4.340 0.004 0.000 0.235 445 R C 2.464 178.605 176.300 -0.265 0.000 1.127 445 R CA 1.623 57.611 56.100 -0.187 0.000 0.968 445 R CB -0.270 29.949 30.300 -0.135 0.000 0.861 445 R HN 0.417 nan 8.270 nan 0.000 0.440 446 Q N 0.438 119.938 119.800 -0.500 0.000 2.084 446 Q HA -0.173 4.169 4.340 0.004 0.000 0.202 446 Q C 2.037 177.894 176.000 -0.239 0.000 0.978 446 Q CA 1.761 57.294 55.803 -0.450 0.000 0.844 446 Q CB -0.073 28.253 28.738 -0.687 0.000 0.898 446 Q HN 0.381 nan 8.270 nan 0.000 0.426 447 A N 1.152 123.845 122.820 -0.211 0.000 1.877 447 A HA -0.249 4.073 4.320 0.004 0.000 0.216 447 A C 1.831 179.353 177.584 -0.103 0.000 1.186 447 A CA 1.828 53.780 52.037 -0.141 0.000 0.620 447 A CB -0.735 18.199 19.000 -0.110 0.000 0.822 447 A HN 0.670 nan 8.150 nan 0.000 0.443 448 E N 0.422 120.565 120.200 -0.094 0.000 2.106 448 E HA 0.064 4.416 4.350 0.004 0.000 0.192 448 E C 1.694 178.265 176.600 -0.049 0.000 0.984 448 E CA 1.484 57.847 56.400 -0.062 0.000 0.806 448 E CB -0.616 29.051 29.700 -0.054 0.000 0.750 448 E HN 0.403 nan 8.360 nan 0.000 0.458 449 A N 0.831 123.617 122.820 -0.057 0.000 2.121 449 A HA -0.056 4.266 4.320 0.004 0.000 0.218 449 A C 2.144 179.723 177.584 -0.009 0.000 1.154 449 A CA 1.139 53.157 52.037 -0.032 0.000 0.679 449 A CB -0.476 18.508 19.000 -0.027 0.000 0.795 449 A HN 0.211 nan 8.150 nan 0.000 0.458 450 R N -0.663 119.834 120.500 -0.004 0.000 2.148 450 R HA -0.035 4.307 4.340 0.004 0.000 0.227 450 R C 2.003 178.334 176.300 0.051 0.000 1.103 450 R CA 0.979 57.111 56.100 0.054 0.000 0.983 450 R CB -0.254 30.039 30.300 -0.012 0.000 0.874 450 R HN 0.488 nan 8.270 nan 0.000 0.451 451 A N 0.375 123.203 122.820 0.012 0.000 2.238 451 A HA 0.015 4.337 4.320 0.004 0.000 0.208 451 A C 1.521 179.102 177.584 -0.004 0.000 1.177 451 A CA 0.365 52.409 52.037 0.011 0.000 0.804 451 A CB 0.062 19.062 19.000 0.001 0.000 0.823 451 A HN 0.155 nan 8.150 nan 0.000 0.482 452 R N -1.207 119.283 120.500 -0.017 0.000 2.362 452 R HA 0.250 4.592 4.340 0.004 0.000 0.227 452 R C 1.053 177.313 176.300 -0.067 0.000 0.905 452 R CA 0.513 56.592 56.100 -0.035 0.000 1.067 452 R CB 0.225 30.505 30.300 -0.033 0.000 1.078 452 R HN 0.554 nan 8.270 nan 0.000 0.516 453 G N 1.814 110.566 108.800 -0.080 0.000 2.176 453 G HA2 -0.246 3.717 3.960 0.004 0.000 0.252 453 G HA3 -0.246 3.717 3.960 0.004 0.000 0.252 453 G C -0.418 174.290 174.900 -0.319 0.000 1.024 453 G CA 0.028 45.018 45.100 -0.184 0.000 0.755 453 G HN 0.055 nan 8.290 nan 0.000 0.507 454 K N -0.023 120.243 120.400 -0.224 0.000 2.376 454 K HA 0.415 4.737 4.320 0.004 0.000 0.257 454 K C -0.700 175.888 176.600 -0.019 0.000 0.939 454 K CA -0.685 55.491 56.287 -0.184 0.000 0.809 454 K CB 1.391 33.852 32.500 -0.066 0.000 1.121 454 K HN 0.340 nan 8.250 nan 0.000 0.425 455 Y N 3.385 123.719 120.300 0.056 0.000 2.504 455 Y HA 0.223 4.775 4.550 0.004 0.000 0.339 455 Y C 0.184 176.143 175.900 0.098 0.000 0.974 455 Y CA -1.232 56.920 58.100 0.087 0.000 1.232 455 Y CB 0.894 39.453 38.460 0.165 0.000 1.108 455 Y HN 0.216 nan 8.280 nan 0.000 0.509 456 L N 2.914 124.277 121.223 0.235 0.000 2.350 456 L HA 0.666 5.008 4.340 0.004 0.000 0.275 456 L C 0.499 177.583 176.870 0.358 0.000 1.099 456 L CA -0.048 54.945 54.840 0.256 0.000 0.808 456 L CB 1.392 43.553 42.059 0.170 0.000 1.149 456 L HN 0.698 nan 8.230 nan 0.000 0.442 457 G N 2.502 111.553 108.800 0.418 0.000 2.719 457 G HA2 0.565 4.527 3.960 0.004 0.000 0.298 457 G HA3 0.565 4.527 3.960 0.004 0.000 0.298 457 G C -2.244 172.719 174.900 0.106 0.000 1.411 457 G CA -0.468 44.842 45.100 0.351 0.000 0.991 457 G HN 0.454 nan 8.290 nan 0.000 0.509 458 L N 1.852 123.039 121.223 -0.060 0.000 2.313 458 L HA 0.887 5.229 4.340 0.004 0.000 0.283 458 L C 0.291 177.059 176.870 -0.171 0.000 1.013 458 L CA -0.536 54.076 54.840 -0.380 0.000 0.816 458 L CB 1.665 43.312 42.059 -0.685 0.000 1.236 458 L HN 0.700 nan 8.230 nan 0.000 0.419 459 G N 4.269 112.965 108.800 -0.174 0.000 2.452 459 G HA2 0.646 4.608 3.960 0.004 0.000 0.324 459 G HA3 0.646 4.608 3.960 0.004 0.000 0.324 459 G C -1.711 173.103 174.900 -0.144 0.000 1.214 459 G CA -0.504 44.520 45.100 -0.125 0.000 0.947 459 G HN 0.535 nan 8.290 nan 0.000 0.478 460 V N 0.663 120.490 119.914 -0.144 0.000 2.604 460 V HA 0.775 4.898 4.120 0.004 0.000 0.305 460 V C -0.179 175.896 176.094 -0.032 0.000 1.043 460 V CA -0.760 61.453 62.300 -0.145 0.000 0.888 460 V CB 1.957 33.553 31.823 -0.380 0.000 0.995 460 V HN 0.820 nan 8.190 nan 0.000 0.429 461 S N 3.554 119.297 115.700 0.072 0.000 2.677 461 S HA 0.748 5.220 4.470 0.004 0.000 0.283 461 S C -1.322 173.426 174.600 0.246 0.000 1.159 461 S CA -0.401 57.895 58.200 0.160 0.000 1.001 461 S CB 1.537 64.852 63.200 0.191 0.000 1.032 461 S HN 0.476 nan 8.310 nan 0.000 0.487 462 V N 6.424 126.471 119.914 0.221 0.000 2.495 462 V HA 0.791 4.913 4.120 0.004 0.000 0.298 462 V C -0.493 175.691 176.094 0.149 0.000 1.031 462 V CA -0.598 61.795 62.300 0.155 0.000 0.871 462 V CB 1.087 32.939 31.823 0.047 0.000 0.988 462 V HN 0.821 nan 8.190 nan 0.000 0.432 463 F N 3.206 123.128 119.950 -0.046 0.000 2.650 463 F HA 0.868 5.397 4.527 0.004 0.000 0.320 463 F C -0.832 174.890 175.800 -0.129 0.000 1.091 463 F CA -1.092 56.856 58.000 -0.086 0.000 0.962 463 F CB 1.896 40.909 39.000 0.021 0.000 1.363 463 F HN 0.498 nan 8.300 nan 0.000 0.482 464 N N 0.267 118.915 118.700 -0.086 0.000 2.357 464 N HA 0.504 5.246 4.740 0.004 0.000 0.284 464 N C -2.079 173.525 175.510 0.157 0.000 1.236 464 N CA -0.572 52.416 53.050 -0.102 0.000 0.774 464 N CB 2.675 41.082 38.487 -0.134 0.000 1.534 464 N HN 0.994 nan 8.380 nan 0.000 0.478 465 E N 0.515 120.790 120.200 0.126 0.000 2.321 465 E HA 0.323 4.675 4.350 0.004 0.000 0.278 465 E C -1.219 175.381 176.600 0.001 0.000 0.902 465 E CA -0.904 55.543 56.400 0.079 0.000 0.758 465 E CB 2.259 32.112 29.700 0.254 0.000 1.213 465 E HN 0.513 nan 8.360 nan 0.000 0.426 466 V N 1.601 121.464 119.914 -0.085 0.000 2.508 466 V HA 0.612 4.734 4.120 0.004 0.000 0.281 466 V C 0.073 176.186 176.094 0.031 0.000 1.041 466 V CA 0.329 62.609 62.300 -0.034 0.000 1.016 466 V CB 0.383 32.205 31.823 -0.001 0.000 0.984 466 V HN 0.737 nan 8.190 nan 0.000 0.478 467 T N 0.457 115.030 114.554 0.032 0.000 2.831 467 T HA 0.739 5.091 4.350 0.004 0.000 0.287 467 T C 0.881 175.598 174.700 0.028 0.000 1.070 467 T CA -0.089 62.037 62.100 0.044 0.000 1.010 467 T CB 1.259 70.158 68.868 0.052 0.000 1.264 467 T HN 2.343 nan 8.240 nan 0.000 0.532 468 G N 1.179 109.990 108.800 0.019 0.000 2.258 468 G HA2 -0.254 3.708 3.960 0.004 0.000 0.274 468 G HA3 -0.254 3.708 3.960 0.004 0.000 0.274 468 G C 0.216 175.114 174.900 -0.003 0.000 1.021 468 G CA 0.257 45.368 45.100 0.017 0.000 0.798 468 G HN 1.284 nan 8.290 nan 0.000 0.507 469 T N 0.852 115.403 114.554 -0.004 0.000 2.609 469 T HA 0.404 4.756 4.350 0.004 0.000 0.257 469 T C 1.149 175.852 174.700 0.005 0.000 1.032 469 T CA 1.016 63.137 62.100 0.034 0.000 1.244 469 T CB 0.659 69.591 68.868 0.106 0.000 1.003 469 T HN 1.185 nan 8.240 nan 0.000 0.507 470 G N 2.282 111.080 108.800 -0.002 0.000 3.222 470 G HA2 0.455 4.417 3.960 0.004 0.000 0.263 470 G HA3 0.455 4.417 3.960 0.004 0.000 0.263 470 G C 1.077 175.965 174.900 -0.021 0.000 1.312 470 G CA -0.430 44.635 45.100 -0.058 0.000 0.934 470 G HN 0.411 nan 8.290 nan 0.000 0.577 471 T N 0.949 115.470 114.554 -0.055 0.000 2.653 471 T HA -0.173 4.179 4.350 0.004 0.000 0.268 471 T C 2.518 177.238 174.700 0.033 0.000 1.035 471 T CA 1.468 63.562 62.100 -0.009 0.000 1.154 471 T CB -0.163 68.697 68.868 -0.012 0.000 0.862 471 T HN 0.277 nan 8.240 nan 0.000 0.441 472 R N 0.851 121.361 120.500 0.016 0.000 2.083 472 R HA -0.038 4.304 4.340 0.004 0.000 0.237 472 R C 2.740 179.094 176.300 0.091 0.000 1.137 472 R CA 1.531 57.649 56.100 0.031 0.000 0.951 472 R CB -1.501 28.781 30.300 -0.030 0.000 0.851 472 R HN 0.418 nan 8.270 nan 0.000 0.434 473 T N 2.197 116.806 114.554 0.092 0.000 2.777 473 T HA -0.022 4.330 4.350 0.004 0.000 0.266 473 T C 2.052 176.896 174.700 0.240 0.000 1.040 473 T CA 0.897 63.106 62.100 0.180 0.000 1.141 473 T CB -0.159 68.794 68.868 0.141 0.000 0.868 473 T HN 0.128 nan 8.240 nan 0.000 0.444 474 L N 0.745 122.072 121.223 0.174 0.000 2.131 474 L HA -0.077 4.265 4.340 0.004 0.000 0.210 474 L C 2.793 179.747 176.870 0.141 0.000 1.092 474 L CA 0.814 55.755 54.840 0.168 0.000 0.759 474 L CB -0.509 41.639 42.059 0.150 0.000 0.903 474 L HN 0.224 nan 8.230 nan 0.000 0.435 475 S N -0.299 115.482 115.700 0.134 0.000 2.371 475 S HA -0.148 4.324 4.470 0.004 0.000 0.224 475 S C 1.777 176.457 174.600 0.133 0.000 1.029 475 S CA 1.004 59.272 58.200 0.115 0.000 0.978 475 S CB -0.310 62.950 63.200 0.101 0.000 0.833 475 S HN 0.408 nan 8.310 nan 0.000 0.466 476 F N 2.582 122.561 119.950 0.049 0.000 2.126 476 F HA -0.019 4.509 4.527 0.002 0.000 0.299 476 F C 1.563 177.405 175.800 0.070 0.000 1.096 476 F CA 1.256 59.282 58.000 0.042 0.000 1.255 476 F CB -0.413 38.598 39.000 0.019 0.000 0.997 476 F HN 0.088 nan 8.300 nan 0.000 0.479 477 L N 0.069 121.216 121.223 -0.127 0.000 2.551 477 L HA 0.125 4.467 4.340 0.004 0.000 0.228 477 L C 1.769 178.630 176.870 -0.016 0.000 1.153 477 L CA 0.765 55.514 54.840 -0.152 0.000 0.851 477 L CB -1.133 41.003 42.059 0.130 0.000 0.959 477 L HN 0.498 nan 8.230 nan 0.000 0.451 478 G N 0.595 109.413 108.800 0.029 0.000 2.132 478 G HA2 -0.262 3.700 3.960 0.004 0.000 0.234 478 G HA3 -0.262 3.700 3.960 0.004 0.000 0.234 478 G C 0.435 175.458 174.900 0.205 0.000 0.989 478 G CA 0.354 45.554 45.100 0.166 0.000 0.676 478 G HN 0.380 nan 8.290 nan 0.000 0.522 479 T N -0.867 113.748 114.554 0.101 0.000 3.504 479 T HA 0.601 4.953 4.350 0.004 0.000 0.286 479 T C -2.059 172.663 174.700 0.038 0.000 1.530 479 T CA -1.214 60.891 62.100 0.008 0.000 1.652 479 T CB 2.182 71.059 68.868 0.015 0.000 0.895 479 T HN 0.247 nan 8.240 nan 0.000 0.674 480 P HA 0.197 nan 4.420 nan 0.000 0.260 480 P C -0.117 177.212 177.300 0.049 0.000 1.172 480 P CA 0.801 63.929 63.100 0.046 0.000 0.760 480 P CB 0.540 32.262 31.700 0.036 0.000 0.773 481 T N 0.835 115.432 114.554 0.071 0.000 3.225 481 T HA 0.247 4.599 4.350 0.004 0.000 0.356 481 T C -0.983 173.763 174.700 0.076 0.000 1.460 481 T CA -0.501 61.656 62.100 0.095 0.000 1.126 481 T CB 0.685 69.639 68.868 0.143 0.000 1.321 481 T HN 0.161 nan 8.240 nan 0.000 0.478 482 T N 4.459 119.064 114.554 0.084 0.000 2.806 482 T HA 0.597 4.949 4.350 0.004 0.000 0.290 482 T C 0.640 175.310 174.700 -0.049 0.000 0.966 482 T CA -0.310 61.809 62.100 0.032 0.000 1.060 482 T CB 0.882 69.787 68.868 0.062 0.000 0.927 482 T HN 0.941 nan 8.240 nan 0.000 0.485 483 T N 0.697 115.081 114.554 -0.284 0.000 2.934 483 T HA 0.466 4.818 4.350 0.004 0.000 0.283 483 T C -0.705 173.824 174.700 -0.285 0.000 1.005 483 T CA -0.857 60.744 62.100 -0.832 0.000 1.041 483 T CB 1.326 69.710 68.868 -0.807 0.000 1.042 483 T HN 0.626 nan 8.240 nan 0.000 0.505 484 H N 0.866 119.810 119.070 -0.210 0.000 2.782 484 H HA 0.392 4.950 4.556 0.004 0.000 0.347 484 H C -1.816 173.684 175.328 0.286 0.000 1.038 484 H CA -0.535 55.610 56.048 0.163 0.000 1.255 484 H CB 1.632 31.593 29.762 0.332 0.000 1.623 484 H HN 0.859 nan 8.280 nan 0.000 0.525 485 D N 2.944 123.373 120.400 0.049 0.000 2.323 485 D HA 0.138 4.781 4.640 0.004 0.000 0.242 485 D C -0.610 175.738 176.300 0.079 0.000 1.347 485 D CA -0.365 53.731 54.000 0.160 0.000 0.988 485 D CB 1.429 42.294 40.800 0.109 0.000 1.314 485 D HN 0.495 nan 8.370 nan 0.000 0.564 486 S N 0.639 116.436 115.700 0.162 0.000 2.687 486 S HA 0.916 5.388 4.470 0.004 0.000 0.283 486 S C -0.193 174.465 174.600 0.097 0.000 1.170 486 S CA -0.728 57.539 58.200 0.112 0.000 1.008 486 S CB 2.075 65.386 63.200 0.184 0.000 1.026 486 S HN 0.420 nan 8.310 nan 0.000 0.541 487 A N 0.958 123.815 122.820 0.061 0.000 2.498 487 A HA 0.790 5.113 4.320 0.004 0.000 0.298 487 A C -0.477 177.128 177.584 0.036 0.000 1.075 487 A CA -0.815 51.245 52.037 0.039 0.000 0.714 487 A CB 1.604 20.608 19.000 0.007 0.000 1.299 487 A HN 0.800 nan 8.150 nan 0.000 0.407 488 T N 0.884 115.457 114.554 0.032 0.000 2.841 488 T HA 0.612 4.964 4.350 0.004 0.000 0.283 488 T C -1.004 173.710 174.700 0.023 0.000 1.000 488 T CA -0.329 61.788 62.100 0.029 0.000 0.977 488 T CB 1.403 70.292 68.868 0.036 0.000 0.979 488 T HN 0.623 nan 8.240 nan 0.000 0.446 489 V N 3.455 123.383 119.914 0.022 0.000 2.577 489 V HA 0.616 4.738 4.120 0.004 0.000 0.303 489 V C -0.212 175.906 176.094 0.039 0.000 1.042 489 V CA -0.911 61.406 62.300 0.028 0.000 0.872 489 V CB 1.915 33.751 31.823 0.022 0.000 0.998 489 V HN 0.741 nan 8.190 nan 0.000 0.423 490 R N 4.720 125.253 120.500 0.054 0.000 2.513 490 R HA 0.658 5.000 4.340 0.004 0.000 0.301 490 R C -1.411 174.951 176.300 0.105 0.000 0.968 490 R CA -0.677 55.468 56.100 0.075 0.000 0.872 490 R CB 1.516 31.861 30.300 0.075 0.000 1.177 490 R HN 0.717 nan 8.270 nan 0.000 0.444 491 I N 4.563 125.217 120.570 0.140 0.000 2.312 491 I HA 0.131 4.303 4.170 0.004 0.000 0.291 491 I C 0.020 176.238 176.117 0.169 0.000 1.031 491 I CA -0.470 60.935 61.300 0.175 0.000 1.293 491 I CB 1.186 39.303 38.000 0.194 0.000 1.403 491 I HN 0.468 nan 8.210 nan 0.000 0.484 492 D N 8.406 128.851 120.400 0.075 0.000 2.372 492 D HA 0.073 4.715 4.640 0.004 0.000 0.243 492 D C -1.472 174.693 176.300 -0.226 0.000 1.121 492 D CA -1.179 52.782 54.000 -0.065 0.000 0.898 492 D CB 1.035 41.818 40.800 -0.029 0.000 1.202 492 D HN 0.246 nan 8.370 nan 0.000 0.428 493 P HA -0.193 nan 4.420 nan 0.000 0.218 493 P C 1.251 178.435 177.300 -0.194 0.000 1.154 493 P CA 1.937 64.628 63.100 -0.681 0.000 0.872 493 P CB 0.002 31.370 31.700 -0.554 0.000 0.790 494 T N -5.818 108.682 114.554 -0.090 0.000 3.148 494 T HA 0.305 4.657 4.350 0.004 0.000 0.253 494 T C 1.463 176.176 174.700 0.022 0.000 1.134 494 T CA 0.569 62.665 62.100 -0.008 0.000 1.051 494 T CB -0.718 68.158 68.868 0.013 0.000 0.959 494 T HN 0.288 nan 8.240 nan 0.000 0.525 495 G N 0.895 109.703 108.800 0.013 0.000 2.179 495 G HA2 -0.184 3.778 3.960 0.004 0.000 0.220 495 G HA3 -0.184 3.778 3.960 0.004 0.000 0.220 495 G C 0.128 175.193 174.900 0.276 0.000 0.990 495 G CA -0.237 44.944 45.100 0.135 0.000 0.646 495 G HN 0.534 nan 8.290 nan 0.000 0.517 496 K N 0.007 120.493 120.400 0.143 0.000 2.117 496 K HA 0.724 5.046 4.320 0.004 0.000 0.240 496 K C 0.281 176.961 176.600 0.133 0.000 1.031 496 K CA -0.450 55.909 56.287 0.121 0.000 0.909 496 K CB 1.509 34.048 32.500 0.064 0.000 1.097 496 K HN 0.285 nan 8.250 nan 0.000 0.492 497 V N 0.877 120.848 119.914 0.095 0.000 2.588 497 V HA 0.299 4.421 4.120 0.004 0.000 0.304 497 V C -0.499 175.628 176.094 0.055 0.000 1.042 497 V CA -0.822 61.531 62.300 0.087 0.000 0.877 497 V CB 2.033 33.900 31.823 0.073 0.000 0.996 497 V HN 0.701 nan 8.190 nan 0.000 0.425 498 T N 4.108 118.695 114.554 0.054 0.000 2.791 498 T HA 0.600 4.952 4.350 0.004 0.000 0.288 498 T C -0.417 174.304 174.700 0.035 0.000 0.999 498 T CA -0.361 61.763 62.100 0.040 0.000 0.952 498 T CB 1.460 70.352 68.868 0.039 0.000 0.938 498 T HN 0.359 nan 8.240 nan 0.000 0.444 499 V N 3.841 123.770 119.914 0.026 0.000 2.459 499 V HA 0.579 4.702 4.120 0.004 0.000 0.295 499 V C 0.170 176.275 176.094 0.020 0.000 1.029 499 V CA -0.688 61.623 62.300 0.020 0.000 0.874 499 V CB 1.991 33.820 31.823 0.009 0.000 0.985 499 V HN 0.946 nan 8.190 nan 0.000 0.438 500 T N 2.917 117.483 114.554 0.021 0.000 2.807 500 T HA 0.610 4.962 4.350 0.004 0.000 0.279 500 T C -0.259 174.455 174.700 0.023 0.000 0.993 500 T CA -0.404 61.711 62.100 0.024 0.000 0.970 500 T CB 1.701 70.587 68.868 0.029 0.000 0.950 500 T HN 0.785 nan 8.240 nan 0.000 0.441 501 T N 0.304 114.871 114.554 0.020 0.000 2.896 501 T HA 0.457 4.810 4.350 0.004 0.000 0.297 501 T C 0.447 175.162 174.700 0.025 0.000 1.108 501 T CA -0.575 61.535 62.100 0.017 0.000 1.004 501 T CB 1.657 70.518 68.868 -0.012 0.000 1.159 501 T HN 0.339 nan 8.240 nan 0.000 0.499 502 S N 1.843 117.563 115.700 0.033 0.000 2.557 502 S HA 0.304 4.776 4.470 0.004 0.000 0.223 502 S C 0.074 174.697 174.600 0.038 0.000 0.969 502 S CA -0.376 57.841 58.200 0.029 0.000 0.927 502 S CB -0.223 62.992 63.200 0.025 0.000 0.806 502 S HN 0.456 nan 8.310 nan 0.000 0.489 503 L N 2.729 123.964 121.223 0.020 0.000 2.367 503 L HA 0.490 4.832 4.340 0.004 0.000 0.275 503 L C 0.294 177.222 176.870 0.096 0.000 1.129 503 L CA -0.347 54.501 54.840 0.013 0.000 0.839 503 L CB 0.269 42.230 42.059 -0.164 0.000 1.133 503 L HN 0.126 nan 8.230 nan 0.000 0.453 504 A N 2.938 125.855 122.820 0.163 0.000 2.330 504 A HA 0.668 4.990 4.320 0.004 0.000 0.327 504 A C -0.187 177.529 177.584 0.220 0.000 1.155 504 A CA -0.454 51.684 52.037 0.168 0.000 0.803 504 A CB 1.207 20.280 19.000 0.122 0.000 1.208 504 A HN 0.623 nan 8.150 nan 0.000 0.477 505 S N 0.792 116.575 115.700 0.138 0.000 2.578 505 S HA 0.549 5.021 4.470 0.004 0.000 0.283 505 S C 0.622 175.176 174.600 -0.077 0.000 1.195 505 S CA 0.156 58.315 58.200 -0.069 0.000 1.050 505 S CB 0.697 63.809 63.200 -0.147 0.000 1.012 505 S HN 1.389 nan 8.310 nan 0.000 0.511 506 S N 1.921 117.536 115.700 -0.141 0.000 2.902 506 S HA 0.531 5.003 4.470 0.004 0.000 0.250 506 S C 0.867 175.377 174.600 -0.150 0.000 1.046 506 S CA -0.038 58.090 58.200 -0.121 0.000 1.069 506 S CB 0.289 63.402 63.200 -0.145 0.000 0.967 506 S HN 1.658 nan 8.310 nan 0.000 0.530 507 G N 2.249 110.965 108.800 -0.139 0.000 2.229 507 G HA2 -0.243 3.720 3.960 0.004 0.000 0.189 507 G HA3 -0.243 3.720 3.960 0.004 0.000 0.189 507 G C 0.818 175.656 174.900 -0.105 0.000 1.000 507 G CA 0.071 45.117 45.100 -0.090 0.000 0.663 507 G HN 0.553 nan 8.290 nan 0.000 0.493 508 Q N 1.217 120.897 119.800 -0.200 0.000 2.415 508 Q HA 0.354 4.696 4.340 0.004 0.000 0.206 508 Q C 1.521 177.430 176.000 -0.152 0.000 0.946 508 Q CA 1.019 56.721 55.803 -0.168 0.000 0.951 508 Q CB -0.098 28.537 28.738 -0.172 0.000 1.026 508 Q HN 1.815 nan 8.270 nan 0.000 0.510 509 G N 1.117 109.825 108.800 -0.152 0.000 2.136 509 G HA2 -0.339 3.623 3.960 0.004 0.000 0.242 509 G HA3 -0.339 3.623 3.960 0.004 0.000 0.242 509 G C 0.357 175.276 174.900 0.031 0.000 0.989 509 G CA 0.527 45.598 45.100 -0.050 0.000 0.682 509 G HN 0.665 nan 8.290 nan 0.000 0.522 510 H N -0.382 118.690 119.070 0.003 0.000 2.353 510 H HA -0.099 4.459 4.556 0.004 0.000 0.298 510 H C 2.342 177.668 175.328 -0.003 0.000 1.103 510 H CA 1.480 57.528 56.048 -0.000 0.000 1.293 510 H CB 0.095 29.858 29.762 0.002 0.000 1.372 510 H HN 0.597 nan 8.280 nan 0.000 0.501 511 E N 0.260 120.533 120.200 0.123 0.000 2.219 511 E HA -0.175 4.177 4.350 0.004 0.000 0.198 511 E C 1.380 178.006 176.600 0.043 0.000 0.998 511 E CA 1.668 58.106 56.400 0.063 0.000 0.818 511 E CB 0.197 29.916 29.700 0.032 0.000 0.741 511 E HN 0.410 nan 8.360 nan 0.000 0.477 512 T N -1.046 113.534 114.554 0.043 0.000 3.044 512 T HA -0.071 4.281 4.350 0.004 0.000 0.237 512 T C 1.964 176.680 174.700 0.027 0.000 1.001 512 T CA 1.205 63.322 62.100 0.028 0.000 1.160 512 T CB -0.316 68.565 68.868 0.021 0.000 0.889 512 T HN 0.375 nan 8.240 nan 0.000 0.442 513 T N 2.009 116.588 114.554 0.042 0.000 2.833 513 T HA 0.056 4.408 4.350 0.004 0.000 0.269 513 T C 2.013 176.722 174.700 0.014 0.000 1.054 513 T CA 0.798 62.917 62.100 0.031 0.000 1.135 513 T CB -0.755 68.144 68.868 0.051 0.000 0.869 513 T HN 0.211 nan 8.240 nan 0.000 0.466 514 L N 0.714 121.950 121.223 0.022 0.000 2.201 514 L HA 0.087 4.429 4.340 0.004 0.000 0.212 514 L C 3.281 180.143 176.870 -0.014 0.000 1.105 514 L CA 1.018 55.852 54.840 -0.011 0.000 0.775 514 L CB -0.759 41.290 42.059 -0.017 0.000 0.913 514 L HN 0.397 nan 8.230 nan 0.000 0.440 515 A N -0.346 122.474 122.820 -0.001 0.000 1.930 515 A HA -0.206 4.116 4.320 0.004 0.000 0.217 515 A C 2.219 179.792 177.584 -0.018 0.000 1.175 515 A CA 1.152 53.185 52.037 -0.007 0.000 0.627 515 A CB -0.322 18.678 19.000 0.001 0.000 0.815 515 A HN 0.429 nan 8.150 nan 0.000 0.443 516 Q N -0.393 119.398 119.800 -0.016 0.000 2.084 516 Q HA -0.141 4.201 4.340 0.004 0.000 0.202 516 Q C 2.016 177.995 176.000 -0.036 0.000 0.978 516 Q CA 1.630 57.418 55.803 -0.024 0.000 0.844 516 Q CB -0.359 28.367 28.738 -0.019 0.000 0.898 516 Q HN 0.751 nan 8.270 nan 0.000 0.426 517 I N 0.547 121.094 120.570 -0.039 0.000 2.113 517 I HA -0.285 3.887 4.170 0.004 0.000 0.238 517 I C 2.487 178.571 176.117 -0.056 0.000 1.070 517 I CA 1.041 62.310 61.300 -0.052 0.000 1.332 517 I CB -0.523 37.440 38.000 -0.063 0.000 1.044 517 I HN 0.160 nan 8.210 nan 0.000 0.402 518 A N 0.819 123.610 122.820 -0.049 0.000 1.908 518 A HA -0.224 4.098 4.320 0.004 0.000 0.218 518 A C 2.536 180.086 177.584 -0.057 0.000 1.181 518 A CA 2.090 54.099 52.037 -0.046 0.000 0.627 518 A CB -0.937 18.045 19.000 -0.030 0.000 0.818 518 A HN 0.471 nan 8.150 nan 0.000 0.445 519 A N -0.163 122.623 122.820 -0.057 0.000 1.908 519 A HA -0.202 4.120 4.320 0.004 0.000 0.218 519 A C 1.795 179.324 177.584 -0.092 0.000 1.181 519 A CA 2.028 54.019 52.037 -0.077 0.000 0.627 519 A CB -0.589 18.375 19.000 -0.060 0.000 0.818 519 A HN 0.460 nan 8.150 nan 0.000 0.445 520 D N -0.525 119.831 120.400 -0.073 0.000 2.149 520 D HA -0.062 4.581 4.640 0.004 0.000 0.201 520 D C 2.058 178.312 176.300 -0.076 0.000 0.972 520 D CA 1.207 55.164 54.000 -0.072 0.000 0.835 520 D CB -0.327 40.438 40.800 -0.058 0.000 0.966 520 D HN 0.203 nan 8.370 nan 0.000 0.476 521 V N 0.731 120.602 119.914 -0.072 0.000 2.343 521 V HA -0.178 3.944 4.120 0.004 0.000 0.247 521 V C 2.328 178.378 176.094 -0.073 0.000 1.051 521 V CA 1.197 63.458 62.300 -0.065 0.000 1.036 521 V CB -0.315 31.474 31.823 -0.057 0.000 0.654 521 V HN 0.218 nan 8.190 nan 0.000 0.451 522 L N 0.078 121.240 121.223 -0.101 0.000 2.558 522 L HA 0.312 4.654 4.340 0.004 0.000 0.225 522 L C 1.571 178.278 176.870 -0.271 0.000 1.128 522 L CA 0.726 55.474 54.840 -0.154 0.000 0.868 522 L CB -0.377 41.585 42.059 -0.163 0.000 1.006 522 L HN 0.559 nan 8.230 nan 0.000 0.454 523 G N 1.381 110.058 108.800 -0.204 0.000 2.246 523 G HA2 -0.218 3.745 3.960 0.004 0.000 0.273 523 G HA3 -0.218 3.745 3.960 0.004 0.000 0.273 523 G C 0.007 174.745 174.900 -0.271 0.000 1.055 523 G CA 0.371 45.352 45.100 -0.199 0.000 0.851 523 G HN 0.291 nan 8.290 nan 0.000 0.500 524 V N -4.083 115.667 119.914 -0.273 0.000 3.126 524 V HA 0.963 5.086 4.120 0.004 0.000 0.314 524 V C -2.405 173.610 176.094 -0.131 0.000 1.138 524 V CA -3.029 59.118 62.300 -0.255 0.000 1.034 524 V CB 2.044 33.650 31.823 -0.363 0.000 1.075 524 V HN 0.036 nan 8.190 nan 0.000 0.442 525 P HA 0.324 nan 4.420 nan 0.000 0.271 525 P C 0.642 177.918 177.300 -0.041 0.000 1.216 525 P CA 0.418 63.490 63.100 -0.047 0.000 0.776 525 P CB 1.116 32.802 31.700 -0.025 0.000 0.881 526 A N 2.788 125.589 122.820 -0.032 0.000 2.019 526 A HA -0.173 4.149 4.320 0.004 0.000 0.219 526 A C 2.029 179.606 177.584 -0.011 0.000 1.164 526 A CA 2.066 54.089 52.037 -0.023 0.000 0.644 526 A CB -1.520 17.469 19.000 -0.019 0.000 0.805 526 A HN 0.601 nan 8.150 nan 0.000 0.449 527 S N -0.345 115.351 115.700 -0.007 0.000 2.474 527 S HA -0.102 4.370 4.470 0.004 0.000 0.235 527 S C 0.716 175.320 174.600 0.007 0.000 0.997 527 S CA 1.216 59.417 58.200 0.001 0.000 0.949 527 S CB -0.289 62.913 63.200 0.003 0.000 0.766 527 S HN 0.468 nan 8.310 nan 0.000 0.517 528 D N 1.006 121.408 120.400 0.004 0.000 2.328 528 D HA 0.295 4.937 4.640 0.004 0.000 0.221 528 D C -0.268 176.044 176.300 0.021 0.000 1.072 528 D CA 0.126 54.137 54.000 0.018 0.000 0.850 528 D CB 0.645 41.459 40.800 0.023 0.000 0.922 528 D HN 0.279 nan 8.370 nan 0.000 0.516 529 V N 0.411 120.331 119.914 0.010 0.000 2.680 529 V HA 0.503 4.625 4.120 0.004 0.000 0.309 529 V C -0.269 175.833 176.094 0.013 0.000 1.052 529 V CA -0.995 61.312 62.300 0.012 0.000 0.908 529 V CB 2.844 34.666 31.823 -0.002 0.000 1.001 529 V HN -0.237 nan 8.190 nan 0.000 0.431 530 V N 5.084 125.009 119.914 0.018 0.000 2.709 530 V HA 0.593 4.715 4.120 0.004 0.000 0.308 530 V C -1.146 174.959 176.094 0.018 0.000 1.062 530 V CA -0.552 61.759 62.300 0.018 0.000 0.901 530 V CB 1.993 33.828 31.823 0.019 0.000 1.003 530 V HN 0.686 nan 8.190 nan 0.000 0.425 531 I N 5.551 126.132 120.570 0.019 0.000 2.336 531 I HA 0.475 4.647 4.170 0.004 0.000 0.292 531 I C 0.061 176.192 176.117 0.023 0.000 0.991 531 I CA -0.159 61.153 61.300 0.020 0.000 1.227 531 I CB 1.328 39.343 38.000 0.026 0.000 1.366 531 I HN 0.683 nan 8.210 nan 0.000 0.466 532 Q N 4.660 124.473 119.800 0.022 0.000 2.325 532 Q HA 0.783 5.125 4.340 0.004 0.000 0.262 532 Q C -0.608 175.407 176.000 0.025 0.000 0.968 532 Q CA -0.482 55.334 55.803 0.023 0.000 0.877 532 Q CB 2.647 31.398 28.738 0.022 0.000 1.253 532 Q HN 0.829 nan 8.270 nan 0.000 0.448 533 A N 0.780 123.616 122.820 0.028 0.000 2.552 533 A HA 0.860 5.182 4.320 0.004 0.000 0.288 533 A C 0.292 177.892 177.584 0.027 0.000 1.193 533 A CA -0.105 51.951 52.037 0.032 0.000 0.713 533 A CB 1.081 20.111 19.000 0.050 0.000 1.305 533 A HN 0.861 nan 8.150 nan 0.000 0.424 534 G N -1.231 107.586 108.800 0.028 0.000 2.137 534 G HA2 0.148 4.110 3.960 0.004 0.000 0.237 534 G HA3 0.148 4.110 3.960 0.004 0.000 0.237 534 G C 0.143 175.040 174.900 -0.005 0.000 1.002 534 G CA 1.086 46.199 45.100 0.021 0.000 0.702 534 G HN 2.111 nan 8.290 nan 0.000 0.515 535 S N -1.131 114.560 115.700 -0.015 0.000 2.566 535 S HA 0.620 5.093 4.470 0.004 0.000 0.273 535 S C 0.853 175.432 174.600 -0.035 0.000 1.157 535 S CA 0.923 59.098 58.200 -0.042 0.000 0.938 535 S CB 1.209 64.388 63.200 -0.035 0.000 1.087 535 S HN 1.245 nan 8.310 nan 0.000 0.474 536 T N 1.716 116.237 114.554 -0.054 0.000 3.219 536 T HA 0.243 4.595 4.350 0.004 0.000 0.249 536 T C 1.218 175.913 174.700 -0.009 0.000 1.099 536 T CA -0.008 62.070 62.100 -0.036 0.000 0.988 536 T CB -0.218 68.616 68.868 -0.056 0.000 0.999 536 T HN 0.605 nan 8.240 nan 0.000 0.550 537 K N 1.068 121.458 120.400 -0.018 0.000 2.147 537 K HA 0.020 4.343 4.320 0.004 0.000 0.205 537 K C -0.131 176.481 176.600 0.021 0.000 1.049 537 K CA 0.914 57.197 56.287 -0.005 0.000 0.936 537 K CB -0.032 32.459 32.500 -0.016 0.000 0.722 537 K HN 0.464 nan 8.250 nan 0.000 0.446 538 N N -0.769 117.949 118.700 0.030 0.000 2.264 538 N HA 0.142 4.885 4.740 0.004 0.000 0.288 538 N C -1.712 173.839 175.510 0.069 0.000 1.094 538 N CA -0.269 52.810 53.050 0.049 0.000 0.817 538 N CB 2.267 40.777 38.487 0.038 0.000 1.604 538 N HN 0.157 nan 8.380 nan 0.000 0.473 539 T N -1.817 112.799 114.554 0.103 0.000 0.541 539 T HA -0.200 4.152 4.350 0.004 0.000 0.774 539 T C -1.500 173.333 174.700 0.221 0.000 0.992 539 T CA -0.497 61.691 62.100 0.148 0.000 4.077 539 T CB -0.988 67.943 68.868 0.106 0.000 2.303 539 T HN 0.707 nan 8.240 nan 0.000 0.398 540 Y N 0.697 121.082 120.300 0.141 0.000 2.390 540 Y HA 0.615 5.167 4.550 0.003 0.000 0.324 540 Y C -0.074 175.991 175.900 0.274 0.000 1.151 540 Y CA 0.458 58.655 58.100 0.163 0.000 1.053 540 Y CB 1.593 40.118 38.460 0.110 0.000 1.277 540 Y HN 1.576 nan 8.280 nan 0.000 0.432 541 G N 2.912 111.726 108.800 0.024 0.000 2.677 541 G HA2 0.358 4.320 3.960 0.004 0.000 0.291 541 G HA3 0.358 4.320 3.960 0.004 0.000 0.291 541 G C -1.018 174.040 174.900 0.264 0.000 1.435 541 G CA -0.706 44.566 45.100 0.287 0.000 0.826 541 G HN 0.408 nan 8.290 nan 0.000 0.491 542 F N 1.106 121.156 119.950 0.167 0.000 2.661 542 F HA 0.345 4.875 4.527 0.004 0.000 0.298 542 F C 1.948 177.937 175.800 0.316 0.000 1.137 542 F CA 0.939 59.094 58.000 0.259 0.000 1.454 542 F CB -0.231 39.026 39.000 0.428 0.000 1.103 542 F HN 1.096 nan 8.300 nan 0.000 0.577 543 G N -0.134 108.873 108.800 0.346 0.000 2.627 543 G HA2 0.130 4.092 3.960 0.004 0.000 0.214 543 G HA3 0.130 4.092 3.960 0.004 0.000 0.214 543 G C -0.674 174.340 174.900 0.190 0.000 1.331 543 G CA -0.702 44.553 45.100 0.257 0.000 0.891 543 G HN 0.583 nan 8.290 nan 0.000 0.539 544 A N 0.379 123.332 122.820 0.222 0.000 2.252 544 A HA 0.953 5.275 4.320 0.004 0.000 0.309 544 A C -0.346 177.390 177.584 0.253 0.000 1.285 544 A CA 0.741 52.873 52.037 0.159 0.000 0.900 544 A CB 0.083 19.248 19.000 0.274 0.000 1.157 544 A HN 2.303 nan 8.150 nan 0.000 0.536 545 Y N -1.624 118.749 120.300 0.122 0.000 2.774 545 Y HA 0.524 5.076 4.550 0.003 0.000 0.346 545 Y C 0.259 176.172 175.900 0.021 0.000 1.222 545 Y CA -0.945 57.186 58.100 0.052 0.000 1.088 545 Y CB 0.541 39.039 38.460 0.063 0.000 1.354 545 Y HN 2.013 nan 8.280 nan 0.000 0.455 546 A N 0.948 123.863 122.820 0.159 0.000 2.596 546 A HA -0.063 4.259 4.320 0.004 0.000 0.300 546 A C 0.807 178.420 177.584 0.048 0.000 1.495 546 A CA 1.398 53.500 52.037 0.108 0.000 0.769 546 A CB -2.490 16.629 19.000 0.198 0.000 1.047 546 A HN 2.089 nan 8.150 nan 0.000 0.436 547 S N -1.980 113.749 115.700 0.048 0.000 3.477 547 S HA -0.301 4.172 4.470 0.004 0.000 0.371 547 S C 1.148 175.753 174.600 0.009 0.000 0.965 547 S CA 1.591 59.821 58.200 0.049 0.000 1.239 547 S CB -1.132 62.117 63.200 0.081 0.000 0.918 547 S HN 1.568 nan 8.310 nan 0.000 0.498 548 R N -0.581 119.885 120.500 -0.057 0.000 2.419 548 R HA 0.276 4.618 4.340 0.004 0.000 0.235 548 R C 1.979 178.232 176.300 -0.078 0.000 0.899 548 R CA 0.501 56.545 56.100 -0.093 0.000 1.048 548 R CB -0.531 29.626 30.300 -0.239 0.000 1.182 548 R HN 0.310 nan 8.270 nan 0.000 0.544 549 G N 1.864 110.632 108.800 -0.054 0.000 2.514 549 G HA2 -0.344 3.618 3.960 0.004 0.000 0.217 549 G HA3 -0.344 3.618 3.960 0.004 0.000 0.217 549 G C 1.605 176.435 174.900 -0.117 0.000 1.198 549 G CA 1.368 46.404 45.100 -0.107 0.000 0.780 549 G HN 0.419 nan 8.290 nan 0.000 0.565 550 A N -0.280 122.522 122.820 -0.031 0.000 1.908 550 A HA 0.052 4.374 4.320 0.004 0.000 0.218 550 A C 2.649 180.200 177.584 -0.056 0.000 1.181 550 A CA 2.116 54.135 52.037 -0.031 0.000 0.627 550 A CB -0.676 18.330 19.000 0.011 0.000 0.818 550 A HN 0.307 nan 8.150 nan 0.000 0.445 551 V N 0.370 120.266 119.914 -0.030 0.000 2.283 551 V HA -0.197 3.925 4.120 0.004 0.000 0.243 551 V C 2.435 178.515 176.094 -0.023 0.000 1.039 551 V CA 1.664 63.956 62.300 -0.013 0.000 1.016 551 V CB -0.584 31.269 31.823 0.049 0.000 0.650 551 V HN 0.503 nan 8.190 nan 0.000 0.449 552 I N 1.102 121.685 120.570 0.022 0.000 2.286 552 I HA -0.143 4.029 4.170 0.004 0.000 0.248 552 I C 2.594 178.674 176.117 -0.062 0.000 1.115 552 I CA 1.959 63.306 61.300 0.077 0.000 1.392 552 I CB -1.898 36.125 38.000 0.038 0.000 1.065 552 I HN 0.394 nan 8.210 nan 0.000 0.418 553 G N 0.661 109.391 108.800 -0.116 0.000 2.421 553 G HA2 -0.182 3.781 3.960 0.004 0.000 0.216 553 G HA3 -0.182 3.781 3.960 0.004 0.000 0.216 553 G C 1.883 176.679 174.900 -0.173 0.000 1.171 553 G CA 0.972 45.987 45.100 -0.142 0.000 0.775 553 G HN 0.476 nan 8.290 nan 0.000 0.543 554 A N 0.885 123.587 122.820 -0.197 0.000 1.877 554 A HA 0.144 4.466 4.320 0.004 0.000 0.216 554 A C 2.707 180.060 177.584 -0.386 0.000 1.186 554 A CA 2.193 54.092 52.037 -0.229 0.000 0.620 554 A CB -1.128 17.758 19.000 -0.190 0.000 0.822 554 A HN 0.530 nan 8.150 nan 0.000 0.443 555 G N -0.154 108.207 108.800 -0.731 0.000 2.421 555 G HA2 -0.183 3.779 3.960 0.004 0.000 0.216 555 G HA3 -0.183 3.779 3.960 0.004 0.000 0.216 555 G C 2.028 176.522 174.900 -0.676 0.000 1.171 555 G CA 1.924 46.158 45.100 -1.444 0.000 0.775 555 G HN 0.824 nan 8.290 nan 0.000 0.543 556 S N 0.686 116.192 115.700 -0.323 0.000 2.357 556 S HA 0.011 4.483 4.470 0.004 0.000 0.221 556 S C 2.362 176.916 174.600 -0.076 0.000 1.031 556 S CA 1.033 59.197 58.200 -0.061 0.000 0.982 556 S CB -0.439 62.770 63.200 0.016 0.000 0.853 556 S HN 0.298 nan 8.310 nan 0.000 0.458 557 I N 2.468 122.977 120.570 -0.102 0.000 2.286 557 I HA -0.072 4.100 4.170 0.004 0.000 0.248 557 I C 2.881 178.950 176.117 -0.080 0.000 1.115 557 I CA 1.131 62.387 61.300 -0.073 0.000 1.392 557 I CB -1.015 36.940 38.000 -0.075 0.000 1.065 557 I HN 0.499 nan 8.210 nan 0.000 0.418 558 G N 0.697 109.421 108.800 -0.127 0.000 2.421 558 G HA2 -0.220 3.742 3.960 0.004 0.000 0.216 558 G HA3 -0.220 3.742 3.960 0.004 0.000 0.216 558 G C 1.820 176.677 174.900 -0.070 0.000 1.171 558 G CA 0.402 45.435 45.100 -0.111 0.000 0.775 558 G HN 0.266 nan 8.290 nan 0.000 0.543 559 R N 0.449 120.911 120.500 -0.064 0.000 2.081 559 R HA -0.009 4.333 4.340 0.004 0.000 0.235 559 R C 3.041 179.334 176.300 -0.012 0.000 1.131 559 R CA 1.195 57.285 56.100 -0.016 0.000 0.960 559 R CB -0.426 29.887 30.300 0.021 0.000 0.856 559 R HN 0.366 nan 8.270 nan 0.000 0.436 560 A N 1.272 124.083 122.820 -0.014 0.000 1.873 560 A HA -0.090 4.233 4.320 0.004 0.000 0.215 560 A C 2.384 179.965 177.584 -0.004 0.000 1.186 560 A CA 1.662 53.696 52.037 -0.005 0.000 0.616 560 A CB -0.643 18.357 19.000 -0.000 0.000 0.823 560 A HN 0.390 nan 8.150 nan 0.000 0.442 561 A N -0.863 121.951 122.820 -0.009 0.000 1.972 561 A HA -0.096 4.226 4.320 0.004 0.000 0.219 561 A C 2.456 180.042 177.584 0.004 0.000 1.169 561 A CA 2.137 54.174 52.037 0.001 0.000 0.635 561 A CB -0.871 18.122 19.000 -0.012 0.000 0.810 561 A HN 0.569 nan 8.150 nan 0.000 0.446 562 S N -0.417 115.278 115.700 -0.007 0.000 2.382 562 S HA -0.111 4.361 4.470 0.004 0.000 0.228 562 S C 1.885 176.485 174.600 -0.000 0.000 1.027 562 S CA 1.323 59.520 58.200 -0.004 0.000 0.991 562 S CB -0.534 62.660 63.200 -0.010 0.000 0.823 562 S HN 0.506 nan 8.310 nan 0.000 0.469 563 I N 1.776 122.343 120.570 -0.006 0.000 2.179 563 I HA -0.162 4.010 4.170 0.004 0.000 0.242 563 I C 2.418 178.523 176.117 -0.019 0.000 1.088 563 I CA 1.593 62.883 61.300 -0.016 0.000 1.357 563 I CB -0.502 37.484 38.000 -0.024 0.000 1.051 563 I HN 0.366 nan 8.210 nan 0.000 0.409 564 V N -1.099 118.811 119.914 -0.008 0.000 2.591 564 V HA -0.136 3.987 4.120 0.004 0.000 0.249 564 V C 2.530 178.647 176.094 0.038 0.000 1.053 564 V CA 1.311 63.610 62.300 -0.002 0.000 1.068 564 V CB -0.894 30.939 31.823 0.017 0.000 0.689 564 V HN 0.352 nan 8.190 nan 0.000 0.462 565 R N 0.115 120.645 120.500 0.050 0.000 2.081 565 R HA -0.141 4.202 4.340 0.004 0.000 0.235 565 R C 2.402 178.738 176.300 0.060 0.000 1.131 565 R CA 1.795 57.940 56.100 0.075 0.000 0.960 565 R CB -0.215 30.113 30.300 0.046 0.000 0.856 565 R HN 0.547 nan 8.270 nan 0.000 0.436 566 E N 0.579 120.800 120.200 0.035 0.000 2.077 566 E HA -0.182 4.171 4.350 0.004 0.000 0.193 566 E C 2.085 178.723 176.600 0.062 0.000 0.989 566 E CA 1.189 57.610 56.400 0.035 0.000 0.800 566 E CB -0.107 29.603 29.700 0.017 0.000 0.746 566 E HN 0.400 nan 8.360 nan 0.000 0.452 567 R N 0.233 120.767 120.500 0.056 0.000 2.096 567 R HA -0.065 4.277 4.340 0.004 0.000 0.235 567 R C 2.479 178.905 176.300 0.209 0.000 1.127 567 R CA 0.921 57.101 56.100 0.134 0.000 0.968 567 R CB -0.290 29.975 30.300 -0.057 0.000 0.861 567 R HN 0.006 nan 8.270 nan 0.000 0.440 568 V N 1.392 121.372 119.914 0.110 0.000 2.358 568 V HA -0.253 3.869 4.120 0.004 0.000 0.246 568 V C 1.980 178.108 176.094 0.057 0.000 1.047 568 V CA 1.757 64.103 62.300 0.077 0.000 1.035 568 V CB -0.317 31.566 31.823 0.101 0.000 0.658 568 V HN 0.293 nan 8.190 nan 0.000 0.452 569 K N -0.356 120.082 120.400 0.064 0.000 2.097 569 K HA -0.194 4.128 4.320 0.004 0.000 0.205 569 K C 2.256 178.871 176.600 0.025 0.000 1.050 569 K CA 1.411 57.720 56.287 0.038 0.000 0.938 569 K CB -0.210 32.308 32.500 0.031 0.000 0.718 569 K HN 0.534 nan 8.250 nan 0.000 0.442 570 Q N 0.447 120.276 119.800 0.048 0.000 2.084 570 Q HA -0.164 4.179 4.340 0.004 0.000 0.202 570 Q C 2.124 178.070 176.000 -0.090 0.000 0.978 570 Q CA 1.115 56.935 55.803 0.027 0.000 0.844 570 Q CB -0.122 28.695 28.738 0.132 0.000 0.898 570 Q HN 0.173 nan 8.270 nan 0.000 0.426 571 L N 0.492 121.608 121.223 -0.179 0.000 2.072 571 L HA -0.038 4.304 4.340 0.004 0.000 0.205 571 L C 2.141 178.952 176.870 -0.099 0.000 1.079 571 L CA 1.930 56.577 54.840 -0.322 0.000 0.752 571 L CB -0.781 41.044 42.059 -0.390 0.000 0.906 571 L HN 0.110 nan 8.230 nan 0.000 0.436 572 A N -0.534 122.259 122.820 -0.044 0.000 1.933 572 A HA -0.060 4.262 4.320 0.004 0.000 0.218 572 A C 2.327 179.913 177.584 0.003 0.000 1.175 572 A CA 1.504 53.536 52.037 -0.007 0.000 0.628 572 A CB -1.554 17.453 19.000 0.011 0.000 0.814 572 A HN 0.521 nan 8.150 nan 0.000 0.444 573 G N -1.252 107.552 108.800 0.007 0.000 2.421 573 G HA2 -0.302 3.660 3.960 0.004 0.000 0.216 573 G HA3 -0.302 3.660 3.960 0.004 0.000 0.216 573 G C 1.503 176.418 174.900 0.024 0.000 1.171 573 G CA 1.454 46.563 45.100 0.015 0.000 0.775 573 G HN 0.728 nan 8.290 nan 0.000 0.543 574 H N 0.533 119.559 119.070 -0.075 0.000 2.321 574 H HA 0.075 4.633 4.556 0.004 0.000 0.300 574 H C 2.512 177.805 175.328 -0.057 0.000 1.087 574 H CA 1.513 57.515 56.048 -0.077 0.000 1.319 574 H CB -0.248 29.436 29.762 -0.130 0.000 1.379 574 H HN 0.275 nan 8.280 nan 0.000 0.501 575 L N -0.338 120.865 121.223 -0.032 0.000 2.217 575 L HA -0.082 4.260 4.340 0.004 0.000 0.211 575 L C 1.667 178.497 176.870 -0.067 0.000 1.107 575 L CA 0.734 55.534 54.840 -0.067 0.000 0.783 575 L CB -0.071 41.983 42.059 -0.008 0.000 0.919 575 L HN 0.307 nan 8.230 nan 0.000 0.442 576 L N -0.958 120.239 121.223 -0.043 0.000 2.640 576 L HA 0.132 4.474 4.340 0.004 0.000 0.230 576 L C 0.055 176.903 176.870 -0.037 0.000 1.123 576 L CA -0.089 54.735 54.840 -0.026 0.000 0.900 576 L CB -0.021 42.040 42.059 0.004 0.000 1.146 576 L HN 0.193 nan 8.230 nan 0.000 0.484 577 E N 0.402 120.561 120.200 -0.068 0.000 2.252 577 E HA -0.184 4.169 4.350 0.004 0.000 0.199 577 E C -0.110 176.473 176.600 -0.027 0.000 1.352 577 E CA 0.436 56.797 56.400 -0.065 0.000 0.682 577 E CB -1.194 28.467 29.700 -0.065 0.000 1.142 577 E HN 0.488 nan 8.360 nan 0.000 0.367 578 A N -0.137 122.676 122.820 -0.013 0.000 2.609 578 A HA 0.816 5.138 4.320 0.004 0.000 0.291 578 A C -0.633 176.956 177.584 0.008 0.000 1.096 578 A CA -0.115 51.923 52.037 0.000 0.000 0.684 578 A CB 1.484 20.488 19.000 0.006 0.000 1.282 578 A HN 0.577 nan 8.150 nan 0.000 0.412 579 A N 0.525 123.351 122.820 0.010 0.000 2.425 579 A HA 0.501 4.824 4.320 0.004 0.000 0.249 579 A C 1.516 179.107 177.584 0.012 0.000 1.084 579 A CA 0.446 52.491 52.037 0.013 0.000 0.781 579 A CB -0.145 18.861 19.000 0.011 0.000 1.019 579 A HN 2.114 nan 8.150 nan 0.000 0.490 580 S N 1.192 116.901 115.700 0.016 0.000 2.370 580 S HA -0.254 4.218 4.470 0.004 0.000 0.226 580 S C 1.408 176.013 174.600 0.007 0.000 1.033 580 S CA 1.554 59.763 58.200 0.015 0.000 1.011 580 S CB -0.682 62.532 63.200 0.023 0.000 0.852 580 S HN 0.891 nan 8.310 nan 0.000 0.457 581 E N 1.011 121.215 120.200 0.007 0.000 2.401 581 E HA -0.154 4.198 4.350 0.004 0.000 0.199 581 E C 0.413 177.011 176.600 -0.003 0.000 1.023 581 E CA 1.207 57.609 56.400 0.002 0.000 0.859 581 E CB -0.345 29.357 29.700 0.004 0.000 0.780 581 E HN 0.480 nan 8.360 nan 0.000 0.523 582 D N 0.407 120.806 120.400 -0.002 0.000 2.398 582 D HA 0.157 4.799 4.640 0.004 0.000 0.210 582 D C 0.085 176.374 176.300 -0.017 0.000 1.094 582 D CA -0.080 53.917 54.000 -0.004 0.000 0.839 582 D CB 0.469 41.272 40.800 0.005 0.000 0.963 582 D HN 0.161 nan 8.370 nan 0.000 0.506 583 I N 1.977 122.532 120.570 -0.026 0.000 2.396 583 I HA 0.199 4.371 4.170 0.004 0.000 0.292 583 I C 0.468 176.529 176.117 -0.094 0.000 0.999 583 I CA -0.869 60.399 61.300 -0.054 0.000 1.310 583 I CB 1.326 39.310 38.000 -0.026 0.000 1.404 583 I HN -0.263 nan 8.210 nan 0.000 0.496 584 V N 4.894 124.687 119.914 -0.202 0.000 2.876 584 V HA 0.652 4.774 4.120 0.004 0.000 0.312 584 V C -0.588 175.347 176.094 -0.265 0.000 1.085 584 V CA -0.764 61.403 62.300 -0.222 0.000 0.945 584 V CB 2.456 34.132 31.823 -0.245 0.000 1.017 584 V HN 0.480 nan 8.190 nan 0.000 0.428 585 I N 2.704 123.190 120.570 -0.140 0.000 2.382 585 I HA 0.658 4.830 4.170 0.004 0.000 0.286 585 I C -0.435 175.628 176.117 -0.089 0.000 1.002 585 I CA -0.148 61.098 61.300 -0.090 0.000 1.135 585 I CB 1.558 39.534 38.000 -0.041 0.000 1.288 585 I HN 0.794 nan 8.210 nan 0.000 0.448 586 E N 5.346 125.520 120.200 -0.042 0.000 2.304 586 E HA 0.224 4.576 4.350 0.004 0.000 0.277 586 E C -1.149 175.463 176.600 0.019 0.000 0.898 586 E CA -0.727 55.667 56.400 -0.010 0.000 0.764 586 E CB 1.845 31.568 29.700 0.038 0.000 1.216 586 E HN 0.521 nan 8.360 nan 0.000 0.419 587 D N 1.781 122.172 120.400 -0.016 0.000 2.772 587 D HA -0.204 4.438 4.640 0.004 0.000 0.233 587 D C 0.674 176.976 176.300 0.002 0.000 1.143 587 D CA 1.457 55.454 54.000 -0.006 0.000 0.700 587 D CB -0.911 39.900 40.800 0.020 0.000 1.076 587 D HN 1.034 nan 8.370 nan 0.000 0.430 588 G N -0.118 108.657 108.800 -0.040 0.000 2.179 588 G HA2 -0.311 3.651 3.960 0.004 0.000 0.257 588 G HA3 -0.311 3.651 3.960 0.004 0.000 0.257 588 G C 0.148 175.114 174.900 0.110 0.000 1.010 588 G CA 0.521 45.621 45.100 0.000 0.000 0.736 588 G HN 0.518 nan 8.290 nan 0.000 0.513 589 L N 0.737 122.026 121.223 0.110 0.000 2.333 589 L HA 0.663 5.005 4.340 0.004 0.000 0.280 589 L C -0.200 176.779 176.870 0.181 0.000 1.004 589 L CA -1.016 53.931 54.840 0.178 0.000 0.820 589 L CB 1.932 44.119 42.059 0.214 0.000 1.247 589 L HN -0.090 nan 8.230 nan 0.000 0.416 590 V N 4.639 124.657 119.914 0.174 0.000 2.318 590 V HA 0.388 4.511 4.120 0.004 0.000 0.271 590 V C -0.516 175.641 176.094 0.106 0.000 1.030 590 V CA -0.430 61.928 62.300 0.096 0.000 0.844 590 V CB 0.670 32.570 31.823 0.129 0.000 1.015 590 V HN 0.914 nan 8.190 nan 0.000 0.460 591 H N 1.797 120.893 119.070 0.044 0.000 2.990 591 H HA 0.733 5.292 4.556 0.004 0.000 0.343 591 H C -1.042 174.299 175.328 0.021 0.000 1.270 591 H CA -1.184 54.880 56.048 0.028 0.000 1.118 591 H CB 1.384 31.160 29.762 0.022 0.000 1.861 591 H HN 0.175 nan 8.280 nan 0.000 0.544 592 V N 1.368 121.386 119.914 0.173 0.000 2.572 592 V HA 0.351 4.473 4.120 0.004 0.000 0.291 592 V C 0.995 177.204 176.094 0.193 0.000 1.039 592 V CA 0.094 62.457 62.300 0.106 0.000 1.055 592 V CB 0.280 32.153 31.823 0.083 0.000 0.969 592 V HN 1.047 nan 8.190 nan 0.000 0.482 593 A N 4.699 127.562 122.820 0.072 0.000 2.573 593 A HA 0.415 4.737 4.320 0.004 0.000 0.250 593 A C 1.638 179.295 177.584 0.122 0.000 1.049 593 A CA 0.732 52.823 52.037 0.091 0.000 0.767 593 A CB -0.851 18.166 19.000 0.029 0.000 0.965 593 A HN 2.213 nan 8.150 nan 0.000 0.514 594 G N 0.900 109.794 108.800 0.156 0.000 2.199 594 G HA2 -0.175 3.788 3.960 0.004 0.000 0.254 594 G HA3 -0.175 3.788 3.960 0.004 0.000 0.254 594 G C 0.242 175.168 174.900 0.044 0.000 0.982 594 G CA 0.297 45.444 45.100 0.078 0.000 0.632 594 G HN 1.723 nan 8.290 nan 0.000 0.529 595 V N 2.063 122.024 119.914 0.079 0.000 2.320 595 V HA 0.311 4.433 4.120 0.004 0.000 0.257 595 V C -0.891 175.160 176.094 -0.072 0.000 0.996 595 V CA -0.335 61.973 62.300 0.013 0.000 0.928 595 V CB 1.409 33.257 31.823 0.041 0.000 1.169 595 V HN 0.205 nan 8.190 nan 0.000 0.475 596 P HA -0.038 nan 4.420 nan 0.000 0.239 596 P C 1.225 178.396 177.300 -0.215 0.000 1.184 596 P CA 0.906 63.636 63.100 -0.616 0.000 0.760 596 P CB 0.571 31.881 31.700 -0.650 0.000 0.884 597 A N 0.560 123.315 122.820 -0.109 0.000 1.930 597 A HA -0.057 4.265 4.320 0.004 0.000 0.215 597 A C 1.967 179.541 177.584 -0.015 0.000 1.176 597 A CA 1.142 53.148 52.037 -0.050 0.000 0.632 597 A CB -0.542 18.437 19.000 -0.035 0.000 0.819 597 A HN 0.025 nan 8.150 nan 0.000 0.445 598 K N 0.925 121.329 120.400 0.007 0.000 2.969 598 K HA 0.342 4.664 4.320 0.004 0.000 0.222 598 K C 0.357 176.996 176.600 0.066 0.000 1.172 598 K CA 0.206 56.511 56.287 0.029 0.000 1.192 598 K CB -0.603 31.914 32.500 0.028 0.000 1.111 598 K HN 0.307 nan 8.250 nan 0.000 0.457 599 G N 0.244 109.089 108.800 0.074 0.000 2.521 599 G HA2 0.644 4.606 3.960 0.004 0.000 0.323 599 G HA3 0.644 4.606 3.960 0.004 0.000 0.323 599 G C -0.871 174.084 174.900 0.091 0.000 1.211 599 G CA -0.722 44.459 45.100 0.135 0.000 0.979 599 G HN 0.311 nan 8.290 nan 0.000 0.490 600 M N 1.345 121.008 119.600 0.105 0.000 2.446 600 M HA 0.320 4.802 4.480 0.004 0.000 0.294 600 M C -2.565 173.799 176.300 0.107 0.000 1.158 600 M CA -1.801 53.547 55.300 0.081 0.000 0.899 600 M CB 3.305 35.941 32.600 0.061 0.000 1.687 600 M HN 0.281 nan 8.290 nan 0.000 0.455 601 P HA -0.009 nan 4.420 nan 0.000 0.269 601 P C 0.348 177.747 177.300 0.165 0.000 1.209 601 P CA -0.068 63.110 63.100 0.130 0.000 0.776 601 P CB 0.685 32.445 31.700 0.100 0.000 0.876 602 F N 3.844 123.819 119.950 0.041 0.000 2.063 602 F HA -0.314 4.215 4.527 0.004 0.000 0.298 602 F C 2.362 178.189 175.800 0.045 0.000 1.105 602 F CA 2.603 60.625 58.000 0.038 0.000 1.215 602 F CB -1.181 37.838 39.000 0.032 0.000 0.972 602 F HN 0.429 nan 8.300 nan 0.000 0.483 603 A N -0.539 122.327 122.820 0.077 0.000 1.978 603 A HA -0.281 4.041 4.320 0.004 0.000 0.220 603 A C 2.229 179.787 177.584 -0.043 0.000 1.170 603 A CA 1.925 53.948 52.037 -0.024 0.000 0.636 603 A CB -1.029 18.012 19.000 0.067 0.000 0.810 603 A HN 0.639 nan 8.150 nan 0.000 0.448 604 E N -0.299 119.901 120.200 -0.001 0.000 2.072 604 E HA -0.110 4.242 4.350 0.004 0.000 0.191 604 E C 1.806 178.398 176.600 -0.013 0.000 0.985 604 E CA 1.339 57.746 56.400 0.012 0.000 0.801 604 E CB -0.089 29.630 29.700 0.032 0.000 0.750 604 E HN 0.339 nan 8.360 nan 0.000 0.452 605 V N 0.519 120.400 119.914 -0.054 0.000 2.358 605 V HA -0.207 3.915 4.120 0.004 0.000 0.246 605 V C 2.403 178.432 176.094 -0.108 0.000 1.047 605 V CA 1.282 63.540 62.300 -0.070 0.000 1.035 605 V CB -0.210 31.568 31.823 -0.075 0.000 0.658 605 V HN 0.201 nan 8.190 nan 0.000 0.452 606 V N 1.131 120.909 119.914 -0.227 0.000 2.343 606 V HA -0.171 3.951 4.120 0.004 0.000 0.247 606 V C 2.665 178.757 176.094 -0.005 0.000 1.051 606 V CA 2.176 64.367 62.300 -0.181 0.000 1.036 606 V CB -1.395 30.211 31.823 -0.363 0.000 0.654 606 V HN 0.609 nan 8.190 nan 0.000 0.451 607 G N -0.403 108.393 108.800 -0.007 0.000 2.442 607 G HA2 -0.218 3.745 3.960 0.004 0.000 0.219 607 G HA3 -0.218 3.745 3.960 0.004 0.000 0.219 607 G C 1.736 176.703 174.900 0.112 0.000 1.141 607 G CA 1.065 46.212 45.100 0.080 0.000 0.763 607 G HN 0.612 nan 8.290 nan 0.000 0.554 608 A N 1.054 123.929 122.820 0.092 0.000 1.930 608 A HA 0.367 4.690 4.320 0.004 0.000 0.217 608 A C 2.806 180.519 177.584 0.216 0.000 1.175 608 A CA 1.968 54.086 52.037 0.134 0.000 0.627 608 A CB -0.698 18.358 19.000 0.094 0.000 0.815 608 A HN 0.741 nan 8.150 nan 0.000 0.443 609 A N -1.319 121.565 122.820 0.105 0.000 1.908 609 A HA -0.114 4.208 4.320 0.004 0.000 0.218 609 A C 2.104 179.685 177.584 -0.004 0.000 1.181 609 A CA 1.699 53.760 52.037 0.040 0.000 0.627 609 A CB -0.733 18.225 19.000 -0.069 0.000 0.818 609 A HN 0.594 nan 8.150 nan 0.000 0.445 610 Y N -2.014 118.145 120.300 -0.234 0.000 2.206 610 Y HA 0.038 4.590 4.550 0.004 0.000 0.292 610 Y C 1.504 177.096 175.900 -0.513 0.000 1.123 610 Y CA 1.647 59.394 58.100 -0.589 0.000 1.142 610 Y CB -0.069 37.583 38.460 -1.347 0.000 1.006 610 Y HN 0.328 nan 8.280 nan 0.000 0.518 611 F N -1.966 118.132 119.950 0.246 0.000 2.688 611 F HA 0.489 5.018 4.527 0.004 0.000 0.310 611 F C 0.624 176.457 175.800 0.055 0.000 1.098 611 F CA -0.237 57.840 58.000 0.129 0.000 1.228 611 F CB 0.581 39.640 39.000 0.099 0.000 1.042 611 F HN -0.153 nan 8.300 nan 0.000 0.557 612 A N 0.919 123.832 122.820 0.155 0.000 3.105 612 A HA 0.156 4.478 4.320 0.004 0.000 0.336 612 A C 1.073 178.499 177.584 -0.263 0.000 1.042 612 A CA -0.379 51.672 52.037 0.023 0.000 0.851 612 A CB -0.306 18.737 19.000 0.072 0.000 1.068 612 A HN 0.268 nan 8.150 nan 0.000 0.477 613 D N 2.013 122.194 120.400 -0.365 0.000 2.203 613 D HA -0.242 4.400 4.640 0.004 0.000 0.199 613 D C 1.627 177.649 176.300 -0.464 0.000 0.997 613 D CA 1.838 55.463 54.000 -0.626 0.000 0.863 613 D CB 0.215 40.877 40.800 -0.230 0.000 0.928 613 D HN 0.533 nan 8.370 nan 0.000 0.458 614 A N -0.068 122.622 122.820 -0.217 0.000 2.119 614 A HA -0.089 4.233 4.320 0.004 0.000 0.217 614 A C 2.226 179.782 177.584 -0.046 0.000 1.153 614 A CA 1.921 53.900 52.037 -0.098 0.000 0.692 614 A CB -0.653 18.321 19.000 -0.042 0.000 0.799 614 A HN 0.462 nan 8.150 nan 0.000 0.458 615 T N -3.195 111.329 114.554 -0.049 0.000 3.100 615 T HA 0.075 4.427 4.350 0.004 0.000 0.253 615 T C 0.435 175.205 174.700 0.116 0.000 1.118 615 T CA -0.098 62.052 62.100 0.083 0.000 1.058 615 T CB -0.473 68.453 68.868 0.096 0.000 0.953 615 T HN 0.415 nan 8.240 nan 0.000 0.515 616 H N 3.596 122.565 119.070 -0.169 0.000 2.764 616 H HA 0.383 4.941 4.556 0.004 0.000 0.341 616 H C -2.170 172.836 175.328 -0.536 0.000 1.072 616 H CA -2.505 53.312 56.048 -0.385 0.000 1.444 616 H CB 0.291 29.980 29.762 -0.121 0.000 1.458 616 H HN 0.303 nan 8.280 nan 0.000 0.572 617 P HA 0.125 nan 4.420 nan 0.000 0.276 617 P C -2.547 174.608 177.300 -0.242 0.000 1.244 617 P CA -1.588 61.027 63.100 -0.809 0.000 0.801 617 P CB 0.334 31.604 31.700 -0.718 0.000 1.006 618 P HA -0.029 nan 4.420 nan 0.000 0.265 618 P C 0.908 178.221 177.300 0.022 0.000 1.193 618 P CA 1.009 64.096 63.100 -0.021 0.000 0.765 618 P CB -0.147 31.549 31.700 -0.006 0.000 0.823 619 G N 2.326 111.154 108.800 0.047 0.000 2.162 619 G HA2 -0.302 3.660 3.960 0.004 0.000 0.260 619 G HA3 -0.302 3.660 3.960 0.004 0.000 0.260 619 G C -0.008 174.941 174.900 0.081 0.000 0.976 619 G CA -0.131 44.997 45.100 0.047 0.000 0.655 619 G HN 0.582 nan 8.290 nan 0.000 0.533 620 F N 1.401 121.303 119.950 -0.079 0.000 2.563 620 F HA 0.440 4.969 4.527 0.003 0.000 0.363 620 F C 0.425 176.162 175.800 -0.106 0.000 1.123 620 F CA 0.064 57.996 58.000 -0.114 0.000 1.307 620 F CB 0.729 39.631 39.000 -0.163 0.000 1.115 620 F HN 0.065 nan 8.300 nan 0.000 0.592 621 D N 4.801 124.713 120.400 -0.812 0.000 2.441 621 D HA 0.293 4.935 4.640 0.004 0.000 0.231 621 D C 0.271 175.846 176.300 -1.208 0.000 1.073 621 D CA -0.267 53.319 54.000 -0.690 0.000 0.850 621 D CB 1.530 42.078 40.800 -0.420 0.000 1.062 621 D HN 0.643 nan 8.370 nan 0.000 0.524 622 A N 3.065 125.337 122.820 -0.913 0.000 2.239 622 A HA 0.058 4.380 4.320 0.004 0.000 0.209 622 A C 0.931 178.189 177.584 -0.544 0.000 1.171 622 A CA 0.177 51.756 52.037 -0.763 0.000 0.768 622 A CB -0.422 18.410 19.000 -0.280 0.000 0.790 622 A HN 0.481 nan 8.150 nan 0.000 0.478 623 T N 1.129 115.411 114.554 -0.453 0.000 2.784 623 T HA 0.278 4.630 4.350 0.004 0.000 0.291 623 T C 0.444 174.961 174.700 -0.303 0.000 0.942 623 T CA 0.290 62.194 62.100 -0.326 0.000 1.161 623 T CB 0.266 68.999 68.868 -0.225 0.000 0.885 623 T HN 0.263 nan 8.240 nan 0.000 0.534 624 L N 3.333 124.377 121.223 -0.298 0.000 3.034 624 L HA 0.381 4.723 4.340 0.004 0.000 0.245 624 L C 0.675 177.520 176.870 -0.041 0.000 1.295 624 L CA 0.021 54.758 54.840 -0.171 0.000 1.068 624 L CB 0.026 41.975 42.059 -0.184 0.000 1.426 624 L HN 0.664 nan 8.230 nan 0.000 0.531 625 E N 0.931 121.100 120.200 -0.051 0.000 2.278 625 E HA 0.701 5.053 4.350 0.004 0.000 0.272 625 E C -1.479 175.107 176.600 -0.024 0.000 0.890 625 E CA -0.427 55.969 56.400 -0.006 0.000 0.770 625 E CB 2.248 31.958 29.700 0.015 0.000 1.212 625 E HN 0.173 nan 8.360 nan 0.000 0.415 626 A N 2.772 125.587 122.820 -0.010 0.000 2.556 626 A HA 0.810 5.132 4.320 0.004 0.000 0.294 626 A C -1.001 176.585 177.584 0.005 0.000 1.091 626 A CA -0.621 51.409 52.037 -0.013 0.000 0.704 626 A CB 2.310 21.296 19.000 -0.024 0.000 1.300 626 A HN 0.457 nan 8.150 nan 0.000 0.406 627 T N 0.514 115.073 114.554 0.009 0.000 2.876 627 T HA 0.797 5.149 4.350 0.004 0.000 0.289 627 T C -0.546 174.169 174.700 0.025 0.000 1.014 627 T CA 0.206 62.321 62.100 0.026 0.000 0.986 627 T CB 1.662 70.555 68.868 0.042 0.000 1.021 627 T HN 1.810 nan 8.240 nan 0.000 0.458 628 A N 1.622 124.459 122.820 0.029 0.000 2.547 628 A HA 0.770 5.092 4.320 0.004 0.000 0.297 628 A C -0.300 177.294 177.584 0.016 0.000 1.056 628 A CA -0.743 51.306 52.037 0.020 0.000 0.688 628 A CB 1.847 20.855 19.000 0.015 0.000 1.282 628 A HN 0.684 nan 8.150 nan 0.000 0.400 629 T N 0.405 114.939 114.554 -0.033 0.000 2.928 629 T HA 0.634 4.986 4.350 0.004 0.000 0.284 629 T C -1.122 173.574 174.700 -0.007 0.000 1.008 629 T CA -0.106 61.926 62.100 -0.112 0.000 1.057 629 T CB 0.517 69.109 68.868 -0.459 0.000 1.018 629 T HN 0.988 nan 8.240 nan 0.000 0.493 630 Y N 2.451 122.675 120.300 -0.127 0.000 2.492 630 Y HA 0.590 5.142 4.550 0.004 0.000 0.346 630 Y C -1.484 174.375 175.900 -0.068 0.000 0.997 630 Y CA -0.974 57.080 58.100 -0.077 0.000 1.025 630 Y CB 2.030 40.460 38.460 -0.049 0.000 1.263 630 Y HN 0.610 nan 8.280 nan 0.000 0.454 631 D N 7.528 127.418 120.400 -0.850 0.000 2.764 631 D HA 0.320 4.962 4.640 0.004 0.000 0.227 631 D C -3.057 172.808 176.300 -0.725 0.000 1.347 631 D CA -1.836 51.785 54.000 -0.632 0.000 0.953 631 D CB 2.497 43.140 40.800 -0.261 0.000 1.476 631 D HN 0.207 nan 8.370 nan 0.000 0.585 632 P HA 0.015 nan 4.420 nan 0.000 0.265 632 P C 0.787 177.892 177.300 -0.325 0.000 1.187 632 P CA -0.008 62.853 63.100 -0.397 0.000 0.766 632 P CB 0.713 32.321 31.700 -0.154 0.000 0.820 633 S N 0.082 115.518 115.700 -0.439 0.000 2.561 633 S HA 0.005 4.477 4.470 0.004 0.000 0.225 633 S C 0.511 174.878 174.600 -0.388 0.000 0.977 633 S CA 0.474 58.204 58.200 -0.783 0.000 0.926 633 S CB -0.319 62.421 63.200 -0.766 0.000 0.769 633 S HN 0.529 nan 8.310 nan 0.000 0.533 634 D N -0.849 119.413 120.400 -0.231 0.000 2.779 634 D HA 0.388 5.030 4.640 0.004 0.000 0.331 634 D C -0.879 175.348 176.300 -0.122 0.000 1.331 634 D CA -0.784 53.123 54.000 -0.155 0.000 0.866 634 D CB 0.604 41.323 40.800 -0.135 0.000 1.409 634 D HN 0.113 nan 8.370 nan 0.000 0.486 635 L N 0.219 121.364 121.223 -0.130 0.000 2.473 635 L HA 0.371 4.713 4.340 0.004 0.000 0.268 635 L C 0.057 176.869 176.870 -0.096 0.000 1.215 635 L CA -0.400 54.359 54.840 -0.133 0.000 0.823 635 L CB 0.531 42.443 42.059 -0.246 0.000 1.099 635 L HN 0.110 nan 8.230 nan 0.000 0.483 636 V N 3.912 123.786 119.914 -0.066 0.000 2.380 636 V HA 0.283 4.405 4.120 0.004 0.000 0.272 636 V C -0.057 176.021 176.094 -0.026 0.000 1.011 636 V CA -0.321 61.958 62.300 -0.035 0.000 0.826 636 V CB 1.214 33.034 31.823 -0.004 0.000 1.040 636 V HN 0.455 nan 8.190 nan 0.000 0.441 637 L N 4.076 125.280 121.223 -0.032 0.000 2.290 637 L HA 0.781 5.123 4.340 0.004 0.000 0.284 637 L C 0.696 177.586 176.870 0.033 0.000 1.078 637 L CA -0.003 54.835 54.840 -0.003 0.000 0.815 637 L CB 1.267 43.326 42.059 -0.001 0.000 1.162 637 L HN 0.637 nan 8.230 nan 0.000 0.435 638 A N 3.825 126.678 122.820 0.055 0.000 2.269 638 A HA 0.815 5.138 4.320 0.004 0.000 0.327 638 A C -0.521 177.077 177.584 0.022 0.000 1.112 638 A CA -0.521 51.550 52.037 0.057 0.000 0.865 638 A CB 1.261 20.325 19.000 0.106 0.000 1.227 638 A HN 0.914 nan 8.150 nan 0.000 0.498 639 N N -2.345 116.298 118.700 -0.095 0.000 3.020 639 N HA 0.741 5.483 4.740 0.004 0.000 0.248 639 N C -0.426 174.689 175.510 -0.657 0.000 1.480 639 N CA -0.097 52.688 53.050 -0.442 0.000 0.874 639 N CB 1.076 39.546 38.487 -0.029 0.000 1.433 639 N HN 1.409 nan 8.380 nan 0.000 0.530 640 G N -1.915 106.225 108.800 -1.100 0.000 2.336 640 G HA2 0.602 4.564 3.960 0.004 0.000 0.286 640 G HA3 0.602 4.564 3.960 0.004 0.000 0.286 640 G C -1.469 173.213 174.900 -0.363 0.000 1.269 640 G CA -0.208 44.557 45.100 -0.559 0.000 0.873 640 G HN 1.222 nan 8.290 nan 0.000 0.494 641 G N -1.699 107.092 108.800 -0.015 0.000 2.646 641 G HA2 0.692 4.655 3.960 0.004 0.000 0.291 641 G HA3 0.692 4.655 3.960 0.004 0.000 0.291 641 G C -2.054 172.791 174.900 -0.092 0.000 1.445 641 G CA -0.538 44.636 45.100 0.124 0.000 0.814 641 G HN 0.867 nan 8.290 nan 0.000 0.495 642 H N -0.933 118.309 119.070 0.287 0.000 2.851 642 H HA 0.801 5.359 4.556 0.003 0.000 0.372 642 H C -0.176 175.247 175.328 0.158 0.000 1.158 642 H CA 0.040 56.259 56.048 0.285 0.000 1.159 642 H CB 2.320 32.304 29.762 0.369 0.000 1.757 642 H HN 0.851 nan 8.280 nan 0.000 0.546 643 A N 1.348 124.306 122.820 0.231 0.000 2.398 643 A HA 0.823 5.145 4.320 0.004 0.000 0.301 643 A C -1.174 176.279 177.584 -0.217 0.000 1.041 643 A CA -0.281 51.792 52.037 0.061 0.000 0.711 643 A CB 1.067 20.169 19.000 0.171 0.000 1.240 643 A HN 0.816 nan 8.150 nan 0.000 0.420 644 A N 2.104 124.671 122.820 -0.421 0.000 2.374 644 A HA 0.851 5.173 4.320 0.004 0.000 0.317 644 A C -0.879 176.514 177.584 -0.319 0.000 1.094 644 A CA -0.442 51.173 52.037 -0.703 0.000 0.765 644 A CB 0.877 19.337 19.000 -0.900 0.000 1.268 644 A HN 0.780 nan 8.150 nan 0.000 0.438 645 I N 2.395 122.827 120.570 -0.230 0.000 2.436 645 I HA 0.498 4.671 4.170 0.004 0.000 0.289 645 I C -0.404 175.701 176.117 -0.019 0.000 1.010 645 I CA -0.902 60.325 61.300 -0.122 0.000 1.098 645 I CB 1.959 39.930 38.000 -0.049 0.000 1.266 645 I HN 0.592 nan 8.210 nan 0.000 0.434 646 V N 2.402 122.342 119.914 0.043 0.000 2.960 646 V HA 0.668 4.790 4.120 0.004 0.000 0.315 646 V C -0.724 175.453 176.094 0.137 0.000 1.087 646 V CA -0.596 61.754 62.300 0.084 0.000 0.982 646 V CB 2.045 33.915 31.823 0.079 0.000 1.039 646 V HN 0.863 nan 8.190 nan 0.000 0.437 647 E N 2.158 122.428 120.200 0.117 0.000 2.241 647 E HA 0.593 4.946 4.350 0.004 0.000 0.263 647 E C -1.654 175.004 176.600 0.095 0.000 0.882 647 E CA -0.756 55.714 56.400 0.116 0.000 0.769 647 E CB 1.959 31.710 29.700 0.085 0.000 1.185 647 E HN 0.820 nan 8.360 nan 0.000 0.415 648 I N 3.585 124.225 120.570 0.116 0.000 2.354 648 I HA 0.196 4.368 4.170 0.004 0.000 0.292 648 I C -0.290 175.797 176.117 -0.050 0.000 0.989 648 I CA -0.856 60.501 61.300 0.094 0.000 1.188 648 I CB 1.629 39.759 38.000 0.217 0.000 1.342 648 I HN 0.587 nan 8.210 nan 0.000 0.457 649 D N 4.580 124.926 120.400 -0.090 0.000 2.317 649 D HA 0.299 4.941 4.640 0.004 0.000 0.252 649 D C 1.012 177.105 176.300 -0.346 0.000 1.174 649 D CA -0.021 53.854 54.000 -0.209 0.000 0.866 649 D CB 1.619 42.326 40.800 -0.155 0.000 1.127 649 D HN 0.644 nan 8.370 nan 0.000 0.467 650 A N 2.832 125.336 122.820 -0.526 0.000 2.019 650 A HA -0.121 4.201 4.320 0.004 0.000 0.219 650 A C 2.059 179.353 177.584 -0.484 0.000 1.164 650 A CA 1.255 52.964 52.037 -0.547 0.000 0.644 650 A CB -0.118 18.493 19.000 -0.649 0.000 0.805 650 A HN 0.544 nan 8.150 nan 0.000 0.449 651 S N -1.236 114.197 115.700 -0.445 0.000 2.441 651 S HA -0.037 4.435 4.470 0.004 0.000 0.224 651 S C 1.920 176.158 174.600 -0.604 0.000 1.043 651 S CA 1.391 59.338 58.200 -0.421 0.000 0.948 651 S CB -0.030 63.040 63.200 -0.217 0.000 0.810 651 S HN 0.867 nan 8.310 nan 0.000 0.504 652 T N -2.287 111.956 114.554 -0.518 0.000 3.044 652 T HA 0.205 4.557 4.350 0.004 0.000 0.260 652 T C 0.332 174.931 174.700 -0.168 0.000 1.019 652 T CA -0.252 61.664 62.100 -0.305 0.000 0.921 652 T CB -0.517 68.280 68.868 -0.119 0.000 1.053 652 T HN 0.333 nan 8.240 nan 0.000 0.533 653 Y N 0.182 120.498 120.300 0.028 0.000 4.409 653 Y HA -0.222 4.330 4.550 0.004 0.000 0.228 653 Y C 0.895 176.821 175.900 0.043 0.000 1.108 653 Y CA -0.092 58.045 58.100 0.061 0.000 1.955 653 Y CB -2.595 35.930 38.460 0.107 0.000 1.615 653 Y HN 0.629 nan 8.280 nan 0.000 0.665 654 A N 0.386 123.250 122.820 0.073 0.000 2.401 654 A HA 0.627 4.949 4.320 0.004 0.000 0.259 654 A C 0.555 178.176 177.584 0.062 0.000 1.103 654 A CA 0.382 52.454 52.037 0.060 0.000 0.789 654 A CB 0.413 19.423 19.000 0.017 0.000 1.035 654 A HN 0.244 nan 8.150 nan 0.000 0.491 655 T N 2.979 117.574 114.554 0.069 0.000 2.792 655 T HA 0.549 4.901 4.350 0.004 0.000 0.280 655 T C -0.234 174.501 174.700 0.060 0.000 0.990 655 T CA -0.359 61.786 62.100 0.075 0.000 0.960 655 T CB 0.843 69.764 68.868 0.089 0.000 0.939 655 T HN 0.664 nan 8.240 nan 0.000 0.439 656 R N 1.714 122.251 120.500 0.061 0.000 2.534 656 R HA 0.576 4.918 4.340 0.004 0.000 0.301 656 R C -1.064 175.277 176.300 0.067 0.000 0.961 656 R CA -0.833 55.300 56.100 0.056 0.000 0.871 656 R CB 2.037 32.364 30.300 0.045 0.000 1.170 656 R HN 0.363 nan 8.270 nan 0.000 0.446 657 V N 3.280 123.237 119.914 0.073 0.000 2.339 657 V HA 0.034 4.156 4.120 0.004 0.000 0.261 657 V C 1.454 177.592 176.094 0.073 0.000 1.058 657 V CA 0.046 62.398 62.300 0.088 0.000 0.897 657 V CB 0.695 32.609 31.823 0.152 0.000 1.052 657 V HN 0.995 nan 8.190 nan 0.000 0.480 658 T N 0.560 115.148 114.554 0.056 0.000 3.014 658 T HA 0.094 4.446 4.350 0.004 0.000 0.263 658 T C 0.273 174.982 174.700 0.015 0.000 1.078 658 T CA 0.411 62.539 62.100 0.047 0.000 1.135 658 T CB 0.050 68.959 68.868 0.069 0.000 0.895 658 T HN 0.618 nan 8.240 nan 0.000 0.480 659 D N -0.799 119.585 120.400 -0.028 0.000 2.661 659 D HA 0.655 5.297 4.640 0.004 0.000 0.228 659 D C -1.946 174.193 176.300 -0.270 0.000 1.210 659 D CA -0.514 53.378 54.000 -0.180 0.000 0.826 659 D CB 1.835 42.538 40.800 -0.161 0.000 1.542 659 D HN 0.114 nan 8.370 nan 0.000 0.447 660 F N 1.211 120.809 119.950 -0.587 0.000 2.588 660 F HA 0.563 5.092 4.527 0.003 0.000 0.314 660 F C -1.780 173.648 175.800 -0.621 0.000 1.134 660 F CA -0.749 57.014 58.000 -0.396 0.000 0.961 660 F CB 1.226 40.132 39.000 -0.156 0.000 1.239 660 F HN 0.237 nan 8.300 nan 0.000 0.448 661 F N 3.264 123.371 119.950 0.261 0.000 2.551 661 F HA 0.842 5.371 4.527 0.004 0.000 0.316 661 F C -0.178 175.765 175.800 0.239 0.000 1.089 661 F CA -0.946 57.166 58.000 0.187 0.000 0.915 661 F CB 2.049 41.093 39.000 0.074 0.000 1.186 661 F HN 0.543 nan 8.300 nan 0.000 0.456 662 A N 1.814 124.806 122.820 0.287 0.000 2.422 662 A HA 0.855 5.177 4.320 0.004 0.000 0.302 662 A C -1.844 175.731 177.584 -0.015 0.000 1.041 662 A CA -0.743 51.348 52.037 0.090 0.000 0.708 662 A CB 1.629 20.705 19.000 0.126 0.000 1.257 662 A HN 0.539 nan 8.150 nan 0.000 0.414 663 V N 1.903 121.764 119.914 -0.088 0.000 2.483 663 V HA 0.592 4.714 4.120 0.004 0.000 0.297 663 V C -0.578 175.481 176.094 -0.058 0.000 1.027 663 V CA -0.361 61.897 62.300 -0.069 0.000 0.855 663 V CB 1.495 33.297 31.823 -0.034 0.000 0.995 663 V HN 0.999 nan 8.190 nan 0.000 0.424 664 E N 3.323 123.511 120.200 -0.021 0.000 2.222 664 E HA 0.525 4.877 4.350 0.004 0.000 0.267 664 E C -1.428 175.230 176.600 0.096 0.000 0.884 664 E CA -0.462 55.987 56.400 0.081 0.000 0.764 664 E CB 1.863 31.666 29.700 0.171 0.000 1.169 664 E HN 0.591 nan 8.360 nan 0.000 0.413 665 D N 3.985 124.418 120.400 0.055 0.000 2.408 665 D HA 0.153 4.795 4.640 0.004 0.000 0.261 665 D C -0.538 175.789 176.300 0.045 0.000 1.190 665 D CA -0.518 53.502 54.000 0.035 0.000 0.910 665 D CB 0.190 40.976 40.800 -0.023 0.000 1.097 665 D HN 0.527 nan 8.370 nan 0.000 0.522 666 C N 2.329 121.670 119.300 0.069 0.000 2.470 666 C HA 0.803 5.265 4.460 0.004 0.000 0.311 666 C C 1.322 176.327 174.990 0.025 0.000 1.387 666 C CA 0.067 59.122 59.018 0.063 0.000 1.783 666 C CB -1.073 26.719 27.740 0.088 0.000 2.416 666 C HN 0.679 nan 8.230 nan 0.000 0.558 667 G N 1.819 110.622 108.800 0.004 0.000 2.547 667 G HA2 -0.181 3.781 3.960 0.004 0.000 0.271 667 G HA3 -0.181 3.781 3.960 0.004 0.000 0.271 667 G C -0.117 174.772 174.900 -0.018 0.000 1.209 667 G CA 0.195 45.284 45.100 -0.018 0.000 0.959 667 G HN 0.720 nan 8.290 nan 0.000 0.563 668 T N 2.483 117.022 114.554 -0.026 0.000 2.769 668 T HA 0.465 4.817 4.350 0.004 0.000 0.293 668 T C 0.900 175.581 174.700 -0.031 0.000 0.931 668 T CA 0.387 62.468 62.100 -0.032 0.000 1.139 668 T CB 0.263 69.109 68.868 -0.036 0.000 0.881 668 T HN 0.463 nan 8.240 nan 0.000 0.532 669 M N 3.924 123.496 119.600 -0.046 0.000 2.200 669 M HA 0.273 4.755 4.480 0.004 0.000 0.355 669 M C 1.180 177.452 176.300 -0.047 0.000 1.283 669 M CA -0.204 55.065 55.300 -0.053 0.000 1.124 669 M CB 0.814 33.347 32.600 -0.112 0.000 1.625 669 M HN 0.597 nan 8.290 nan 0.000 0.463 670 I N 1.388 121.940 120.570 -0.030 0.000 2.277 670 I HA -0.089 4.083 4.170 0.004 0.000 0.243 670 I C 1.046 177.146 176.117 -0.028 0.000 1.094 670 I CA 0.894 62.178 61.300 -0.026 0.000 1.393 670 I CB -0.008 37.984 38.000 -0.013 0.000 1.078 670 I HN 0.680 nan 8.210 nan 0.000 0.417 671 N N 0.257 118.943 118.700 -0.024 0.000 2.607 671 N HA 0.192 4.934 4.740 0.004 0.000 0.271 671 N C -2.250 173.238 175.510 -0.036 0.000 1.142 671 N CA -1.492 51.544 53.050 -0.023 0.000 0.810 671 N CB 1.783 40.268 38.487 -0.003 0.000 1.306 671 N HN -0.229 nan 8.380 nan 0.000 0.536 672 P HA -0.158 nan 4.420 nan 0.000 0.216 672 P C 1.745 179.024 177.300 -0.035 0.000 1.153 672 P CA 1.246 64.272 63.100 -0.124 0.000 0.858 672 P CB 0.330 31.934 31.700 -0.160 0.000 0.789 673 M N -1.232 118.364 119.600 -0.006 0.000 2.080 673 M HA -0.170 4.312 4.480 0.004 0.000 0.260 673 M C 1.892 178.213 176.300 0.035 0.000 1.068 673 M CA 2.039 57.353 55.300 0.024 0.000 1.109 673 M CB -0.550 32.061 32.600 0.018 0.000 1.342 673 M HN -0.156 nan 8.290 nan 0.000 0.405 674 I N -0.447 120.139 120.570 0.026 0.000 2.315 674 I HA -0.242 3.930 4.170 0.004 0.000 0.248 674 I C 2.219 178.366 176.117 0.050 0.000 1.117 674 I CA 0.788 62.109 61.300 0.034 0.000 1.404 674 I CB -0.342 37.675 38.000 0.028 0.000 1.071 674 I HN 0.166 nan 8.210 nan 0.000 0.419 675 V N 0.847 120.790 119.914 0.049 0.000 2.343 675 V HA -0.258 3.864 4.120 0.004 0.000 0.247 675 V C 2.377 178.546 176.094 0.125 0.000 1.051 675 V CA 1.828 64.176 62.300 0.081 0.000 1.036 675 V CB -0.612 31.248 31.823 0.062 0.000 0.654 675 V HN 0.440 nan 8.190 nan 0.000 0.451 676 E N 0.280 120.561 120.200 0.135 0.000 2.106 676 E HA -0.148 4.204 4.350 0.004 0.000 0.192 676 E C 2.332 178.987 176.600 0.091 0.000 0.984 676 E CA 1.235 57.722 56.400 0.146 0.000 0.806 676 E CB -0.440 29.351 29.700 0.152 0.000 0.750 676 E HN 0.659 nan 8.360 nan 0.000 0.458 677 G N 1.464 110.308 108.800 0.073 0.000 2.418 677 G HA2 -0.274 3.689 3.960 0.004 0.000 0.217 677 G HA3 -0.274 3.689 3.960 0.004 0.000 0.217 677 G C 1.562 176.500 174.900 0.062 0.000 1.158 677 G CA 0.401 45.536 45.100 0.058 0.000 0.771 677 G HN 0.103 nan 8.290 nan 0.000 0.545 678 Q N 0.144 119.988 119.800 0.074 0.000 2.084 678 Q HA 0.009 4.351 4.340 0.004 0.000 0.202 678 Q C 2.737 178.778 176.000 0.067 0.000 0.978 678 Q CA 0.787 56.638 55.803 0.079 0.000 0.844 678 Q CB -0.255 28.535 28.738 0.087 0.000 0.898 678 Q HN 0.580 nan 8.270 nan 0.000 0.426 679 I N 0.344 120.962 120.570 0.080 0.000 2.202 679 I HA -0.272 3.900 4.170 0.004 0.000 0.242 679 I C 2.526 178.645 176.117 0.003 0.000 1.091 679 I CA 1.090 62.434 61.300 0.075 0.000 1.368 679 I CB -0.252 37.819 38.000 0.118 0.000 1.058 679 I HN 0.143 nan 8.210 nan 0.000 0.410 680 R N 0.671 121.172 120.500 0.001 0.000 2.096 680 R HA -0.111 4.231 4.340 0.004 0.000 0.235 680 R C 2.402 178.661 176.300 -0.068 0.000 1.127 680 R CA 1.482 57.553 56.100 -0.049 0.000 0.968 680 R CB -0.718 29.571 30.300 -0.018 0.000 0.861 680 R HN 0.461 nan 8.270 nan 0.000 0.440 681 G N 0.225 109.013 108.800 -0.021 0.000 2.402 681 G HA2 -0.207 3.755 3.960 0.004 0.000 0.216 681 G HA3 -0.207 3.755 3.960 0.004 0.000 0.216 681 G C 1.500 176.360 174.900 -0.068 0.000 1.162 681 G CA 0.796 45.886 45.100 -0.016 0.000 0.777 681 G HN 0.452 nan 8.290 nan 0.000 0.539 682 G N 0.859 109.620 108.800 -0.066 0.000 2.408 682 G HA2 -0.125 3.837 3.960 0.004 0.000 0.217 682 G HA3 -0.125 3.837 3.960 0.004 0.000 0.217 682 G C 1.752 176.528 174.900 -0.205 0.000 1.150 682 G CA 0.653 45.680 45.100 -0.120 0.000 0.776 682 G HN 0.440 nan 8.290 nan 0.000 0.542 683 I N 1.213 121.627 120.570 -0.260 0.000 2.315 683 I HA -0.153 4.019 4.170 0.004 0.000 0.248 683 I C 3.258 179.160 176.117 -0.359 0.000 1.117 683 I CA 0.848 61.874 61.300 -0.458 0.000 1.404 683 I CB -0.147 37.454 38.000 -0.665 0.000 1.071 683 I HN 0.250 nan 8.210 nan 0.000 0.419 684 A N 0.265 122.945 122.820 -0.234 0.000 1.877 684 A HA -0.259 4.063 4.320 0.004 0.000 0.216 684 A C 2.236 179.748 177.584 -0.119 0.000 1.186 684 A CA 1.535 53.479 52.037 -0.154 0.000 0.620 684 A CB -0.631 18.305 19.000 -0.106 0.000 0.822 684 A HN 0.452 nan 8.150 nan 0.000 0.443 685 Q N -0.722 119.003 119.800 -0.125 0.000 2.170 685 Q HA -0.084 4.259 4.340 0.004 0.000 0.203 685 Q C 2.352 178.318 176.000 -0.057 0.000 0.976 685 Q CA 1.171 56.927 55.803 -0.078 0.000 0.858 685 Q CB -0.358 28.317 28.738 -0.105 0.000 0.907 685 Q HN 0.708 nan 8.270 nan 0.000 0.433 686 A N 0.913 123.665 122.820 -0.114 0.000 1.873 686 A HA -0.149 4.174 4.320 0.004 0.000 0.215 686 A C 2.008 179.579 177.584 -0.021 0.000 1.186 686 A CA 0.965 52.951 52.037 -0.084 0.000 0.616 686 A CB -0.536 18.378 19.000 -0.143 0.000 0.823 686 A HN 0.288 nan 8.150 nan 0.000 0.442 687 I N -0.159 120.391 120.570 -0.034 0.000 2.264 687 I HA -0.232 3.940 4.170 0.004 0.000 0.248 687 I C 2.669 178.791 176.117 0.008 0.000 1.111 687 I CA 1.107 62.420 61.300 0.023 0.000 1.382 687 I CB -0.607 37.400 38.000 0.011 0.000 1.060 687 I HN 0.418 nan 8.210 nan 0.000 0.418 688 G N -0.122 108.669 108.800 -0.015 0.000 2.433 688 G HA2 -0.320 3.642 3.960 0.004 0.000 0.216 688 G HA3 -0.320 3.642 3.960 0.004 0.000 0.216 688 G C 1.544 176.440 174.900 -0.007 0.000 1.186 688 G CA 0.733 45.819 45.100 -0.022 0.000 0.779 688 G HN 0.410 nan 8.290 nan 0.000 0.543 689 Q N 0.315 120.137 119.800 0.036 0.000 2.124 689 Q HA -0.145 4.197 4.340 0.004 0.000 0.202 689 Q C 2.649 178.677 176.000 0.047 0.000 0.977 689 Q CA 2.180 58.023 55.803 0.066 0.000 0.850 689 Q CB -0.298 28.500 28.738 0.099 0.000 0.901 689 Q HN 0.602 nan 8.270 nan 0.000 0.429 690 T N -2.493 112.088 114.554 0.044 0.000 3.043 690 T HA 0.062 4.414 4.350 0.004 0.000 0.263 690 T C 1.554 176.281 174.700 0.045 0.000 1.094 690 T CA 0.604 62.735 62.100 0.053 0.000 1.127 690 T CB 0.132 69.040 68.868 0.067 0.000 0.905 690 T HN 0.290 nan 8.240 nan 0.000 0.490 691 L N -1.408 119.832 121.223 0.028 0.000 2.948 691 L HA 0.492 4.835 4.340 0.004 0.000 0.259 691 L C 1.707 178.571 176.870 -0.009 0.000 1.136 691 L CA 0.091 54.944 54.840 0.022 0.000 0.959 691 L CB 0.346 42.426 42.059 0.036 0.000 1.370 691 L HN 0.147 nan 8.230 nan 0.000 0.552 692 L N -1.247 119.949 121.223 -0.044 0.000 2.713 692 L HA 0.241 4.583 4.340 0.004 0.000 0.223 692 L C 0.236 176.989 176.870 -0.195 0.000 1.040 692 L CA 0.004 54.784 54.840 -0.100 0.000 0.894 692 L CB 0.613 42.609 42.059 -0.106 0.000 1.361 692 L HN 0.028 nan 8.230 nan 0.000 0.490 693 E N 1.820 121.882 120.200 -0.230 0.000 2.289 693 E HA 0.330 4.682 4.350 0.004 0.000 0.278 693 E C -0.497 176.002 176.600 -0.167 0.000 1.032 693 E CA 0.035 56.182 56.400 -0.422 0.000 0.854 693 E CB 1.343 30.824 29.700 -0.365 0.000 1.046 693 E HN 0.068 nan 8.360 nan 0.000 0.409 694 E N 2.280 122.401 120.200 -0.131 0.000 2.406 694 E HA 0.160 4.512 4.350 0.004 0.000 0.297 694 E C -1.742 174.979 176.600 0.202 0.000 0.917 694 E CA -0.403 56.055 56.400 0.097 0.000 0.795 694 E CB 1.594 31.306 29.700 0.020 0.000 1.285 694 E HN 0.226 nan 8.360 nan 0.000 0.400 695 V N 6.090 126.101 119.914 0.163 0.000 2.432 695 V HA 0.368 4.490 4.120 0.004 0.000 0.271 695 V C 0.110 176.136 176.094 -0.114 0.000 1.046 695 V CA -0.003 62.239 62.300 -0.097 0.000 0.945 695 V CB 0.801 32.375 31.823 -0.414 0.000 0.992 695 V HN 0.545 nan 8.190 nan 0.000 0.471 696 I N 5.728 126.201 120.570 -0.161 0.000 2.406 696 I HA 0.427 4.599 4.170 0.004 0.000 0.290 696 I C -1.098 174.932 176.117 -0.145 0.000 0.999 696 I CA -0.624 60.626 61.300 -0.083 0.000 1.124 696 I CB 1.669 39.643 38.000 -0.044 0.000 1.289 696 I HN 0.457 nan 8.210 nan 0.000 0.441 697 Y N 4.152 124.451 120.300 -0.002 0.000 2.331 697 Y HA 0.230 4.782 4.550 0.004 0.000 0.338 697 Y C 0.357 176.277 175.900 0.033 0.000 0.992 697 Y CA -0.811 57.307 58.100 0.030 0.000 1.121 697 Y CB 1.124 39.610 38.460 0.044 0.000 1.184 697 Y HN 0.606 nan 8.280 nan 0.000 0.469 698 D N -0.049 120.466 120.400 0.192 0.000 2.440 698 D HA 0.002 4.644 4.640 0.004 0.000 0.269 698 D C 0.276 176.630 176.300 0.089 0.000 1.249 698 D CA -0.244 53.838 54.000 0.136 0.000 1.055 698 D CB 0.529 41.432 40.800 0.170 0.000 1.104 698 D HN 0.391 nan 8.370 nan 0.000 0.561 699 D N -1.562 118.808 120.400 -0.051 0.000 2.378 699 D HA -0.043 4.599 4.640 0.004 0.000 0.222 699 D C 0.735 176.808 176.300 -0.379 0.000 0.980 699 D CA 0.647 54.492 54.000 -0.259 0.000 0.907 699 D CB -0.250 40.291 40.800 -0.432 0.000 0.899 699 D HN 0.343 nan 8.370 nan 0.000 0.527 700 F N -0.974 119.024 119.950 0.080 0.000 2.678 700 F HA 0.290 4.819 4.527 0.004 0.000 0.305 700 F C 1.886 177.758 175.800 0.121 0.000 1.090 700 F CA 0.026 58.078 58.000 0.087 0.000 1.272 700 F CB 0.744 39.795 39.000 0.086 0.000 1.060 700 F HN -0.020 nan 8.300 nan 0.000 0.576 701 G N -0.102 108.861 108.800 0.270 0.000 2.157 701 G HA2 -0.217 3.746 3.960 0.004 0.000 0.248 701 G HA3 -0.217 3.746 3.960 0.004 0.000 0.248 701 G C 0.190 175.332 174.900 0.403 0.000 0.979 701 G CA -0.424 44.846 45.100 0.284 0.000 0.650 701 G HN 0.177 nan 8.290 nan 0.000 0.529 702 Q N -0.169 119.832 119.800 0.335 0.000 2.327 702 Q HA 0.418 4.760 4.340 0.004 0.000 0.254 702 Q C 0.506 176.587 176.000 0.136 0.000 0.952 702 Q CA -0.358 55.582 55.803 0.228 0.000 0.884 702 Q CB 1.598 30.431 28.738 0.157 0.000 1.224 702 Q HN 0.461 nan 8.270 nan 0.000 0.422 703 L N 3.838 125.047 121.223 -0.024 0.000 2.295 703 L HA 0.078 4.420 4.340 0.004 0.000 0.288 703 L C 0.991 177.748 176.870 -0.189 0.000 1.079 703 L CA -0.216 54.413 54.840 -0.352 0.000 0.830 703 L CB 0.636 42.476 42.059 -0.365 0.000 1.200 703 L HN 0.543 nan 8.230 nan 0.000 0.438 704 V N 0.689 120.499 119.914 -0.174 0.000 3.649 704 V HA 0.096 4.218 4.120 0.004 0.000 0.275 704 V C 0.833 176.834 176.094 -0.155 0.000 1.281 704 V CA 0.575 62.808 62.300 -0.112 0.000 1.143 704 V CB -0.221 31.570 31.823 -0.054 0.000 0.892 704 V HN 0.806 nan 8.190 nan 0.000 0.441 705 T N -0.873 113.537 114.554 -0.240 0.000 2.893 705 T HA 0.566 4.918 4.350 0.004 0.000 0.324 705 T C 0.393 174.798 174.700 -0.491 0.000 1.082 705 T CA 0.460 62.370 62.100 -0.316 0.000 0.983 705 T CB 0.824 69.520 68.868 -0.286 0.000 1.005 705 T HN 0.548 nan 8.240 nan 0.000 0.475 706 T N -1.409 112.897 114.554 -0.412 0.000 3.209 706 T HA 0.365 4.717 4.350 0.004 0.000 0.295 706 T C 0.540 175.122 174.700 -0.198 0.000 0.977 706 T CA 0.177 62.083 62.100 -0.325 0.000 0.922 706 T CB 0.065 68.895 68.868 -0.063 0.000 1.152 706 T HN 0.892 nan 8.240 nan 0.000 0.527 707 T N -0.885 113.491 114.554 -0.297 0.000 2.883 707 T HA 0.634 4.986 4.350 0.004 0.000 0.296 707 T C 0.225 174.915 174.700 -0.016 0.000 1.117 707 T CA -0.845 61.231 62.100 -0.041 0.000 1.006 707 T CB 1.299 70.158 68.868 -0.016 0.000 1.191 707 T HN -0.138 nan 8.240 nan 0.000 0.508 708 L N 0.907 122.210 121.223 0.133 0.000 2.622 708 L HA 0.212 4.554 4.340 0.004 0.000 0.233 708 L C 2.120 179.028 176.870 0.064 0.000 1.156 708 L CA 0.993 55.927 54.840 0.157 0.000 0.866 708 L CB -1.066 41.088 42.059 0.158 0.000 0.980 708 L HN 0.687 nan 8.230 nan 0.000 0.448 709 M N -1.613 117.999 119.600 0.019 0.000 2.334 709 M HA -0.018 4.464 4.480 0.004 0.000 0.266 709 M C 1.152 177.435 176.300 -0.029 0.000 1.082 709 M CA 1.088 56.385 55.300 -0.005 0.000 1.141 709 M CB -0.469 32.124 32.600 -0.011 0.000 1.380 709 M HN 0.159 nan 8.290 nan 0.000 0.440 710 D N -1.646 118.723 120.400 -0.053 0.000 2.392 710 D HA 0.024 4.666 4.640 0.004 0.000 0.206 710 D C -0.206 176.052 176.300 -0.070 0.000 1.046 710 D CA 0.326 54.280 54.000 -0.076 0.000 0.865 710 D CB 0.508 41.244 40.800 -0.107 0.000 0.969 710 D HN 0.194 nan 8.370 nan 0.000 0.509 711 Y N 1.823 122.004 120.300 -0.198 0.000 2.402 711 Y HA 0.356 4.908 4.550 0.003 0.000 0.332 711 Y C -0.742 175.139 175.900 -0.032 0.000 0.960 711 Y CA -0.737 57.267 58.100 -0.160 0.000 1.228 711 Y CB 0.361 38.648 38.460 -0.288 0.000 1.120 711 Y HN -0.276 nan 8.280 nan 0.000 0.491 712 L N 8.566 129.571 121.223 -0.362 0.000 2.257 712 L HA 0.466 4.808 4.340 0.004 0.000 0.290 712 L C -0.053 176.661 176.870 -0.261 0.000 1.044 712 L CA -0.673 54.035 54.840 -0.221 0.000 0.810 712 L CB 0.400 42.363 42.059 -0.160 0.000 1.193 712 L HN 0.573 nan 8.230 nan 0.000 0.425 713 I N 1.263 121.774 120.570 -0.099 0.000 2.676 713 I HA 0.644 4.817 4.170 0.004 0.000 0.309 713 I C -2.186 173.909 176.117 -0.038 0.000 0.990 713 I CA -2.502 58.764 61.300 -0.058 0.000 1.168 713 I CB 1.404 39.431 38.000 0.044 0.000 1.343 713 I HN 0.324 nan 8.210 nan 0.000 0.482 714 P HA 0.100 nan 4.420 nan 0.000 0.267 714 P C -0.373 176.918 177.300 -0.015 0.000 1.200 714 P CA 0.155 63.239 63.100 -0.026 0.000 0.772 714 P CB 0.770 32.451 31.700 -0.032 0.000 0.855 715 T N -2.965 111.582 114.554 -0.011 0.000 2.905 715 T HA 0.318 4.670 4.350 0.004 0.000 0.283 715 T C 1.444 176.142 174.700 -0.004 0.000 1.031 715 T CA -0.003 62.095 62.100 -0.004 0.000 1.002 715 T CB 0.273 69.140 68.868 -0.002 0.000 1.200 715 T HN 0.429 nan 8.240 nan 0.000 0.560 716 T N -0.508 114.046 114.554 -0.001 0.000 2.946 716 T HA -0.043 4.310 4.350 0.004 0.000 0.271 716 T C 1.652 176.353 174.700 0.002 0.000 1.104 716 T CA 1.008 63.108 62.100 0.000 0.000 1.114 716 T CB -0.695 68.175 68.868 0.003 0.000 0.867 716 T HN 0.519 nan 8.240 nan 0.000 0.513 717 L N 0.197 121.421 121.223 0.002 0.000 2.567 717 L HA 0.224 4.566 4.340 0.004 0.000 0.225 717 L C 1.819 178.693 176.870 0.007 0.000 1.119 717 L CA 0.402 55.244 54.840 0.005 0.000 0.871 717 L CB -0.071 41.990 42.059 0.004 0.000 1.036 717 L HN 0.171 nan 8.230 nan 0.000 0.459 718 D N -0.488 119.915 120.400 0.004 0.000 2.355 718 D HA 0.087 4.729 4.640 0.004 0.000 0.206 718 D C 0.514 176.822 176.300 0.012 0.000 1.010 718 D CA 0.603 54.608 54.000 0.008 0.000 0.875 718 D CB 1.133 41.933 40.800 -0.001 0.000 0.966 718 D HN 0.039 nan 8.370 nan 0.000 0.512 719 V N 4.399 124.313 119.914 0.001 0.000 2.370 719 V HA 0.273 4.395 4.120 0.004 0.000 0.283 719 V C -1.839 174.257 176.094 0.002 0.000 1.023 719 V CA -1.318 60.978 62.300 -0.007 0.000 0.857 719 V CB 1.849 33.651 31.823 -0.036 0.000 0.985 719 V HN -0.015 nan 8.190 nan 0.000 0.443 720 P HA 0.326 nan 4.420 nan 0.000 0.282 720 P C -0.779 176.519 177.300 -0.003 0.000 1.287 720 P CA -0.600 62.510 63.100 0.015 0.000 0.792 720 P CB 0.936 32.655 31.700 0.033 0.000 1.163 721 D N -0.027 120.367 120.400 -0.009 0.000 2.372 721 D HA 0.257 4.899 4.640 0.004 0.000 0.243 721 D C 0.180 176.460 176.300 -0.033 0.000 1.121 721 D CA 0.478 54.469 54.000 -0.015 0.000 0.898 721 D CB 0.633 41.428 40.800 -0.008 0.000 1.202 721 D HN 0.226 nan 8.370 nan 0.000 0.428 722 I N 1.348 121.900 120.570 -0.029 0.000 2.433 722 I HA 0.285 4.457 4.170 0.004 0.000 0.292 722 I C 0.389 176.494 176.117 -0.019 0.000 1.001 722 I CA -0.815 60.466 61.300 -0.033 0.000 1.119 722 I CB 1.983 39.964 38.000 -0.031 0.000 1.289 722 I HN 0.009 nan 8.210 nan 0.000 0.438 723 R N 6.481 126.959 120.500 -0.037 0.000 2.312 723 R HA 0.737 5.080 4.340 0.004 0.000 0.311 723 R C -1.332 175.014 176.300 0.077 0.000 1.004 723 R CA -0.277 55.848 56.100 0.041 0.000 0.902 723 R CB 0.885 31.255 30.300 0.117 0.000 1.073 723 R HN 0.590 nan 8.270 nan 0.000 0.457 724 I N 3.781 124.370 120.570 0.032 0.000 2.647 724 I HA 0.523 4.695 4.170 0.004 0.000 0.295 724 I C -0.320 175.708 176.117 -0.148 0.000 1.078 724 I CA -1.128 60.137 61.300 -0.058 0.000 1.048 724 I CB 1.962 39.898 38.000 -0.106 0.000 1.239 724 I HN 0.439 nan 8.210 nan 0.000 0.421 725 R N 3.968 124.331 120.500 -0.227 0.000 2.744 725 R HA 0.574 4.916 4.340 0.004 0.000 0.279 725 R C -1.141 174.949 176.300 -0.349 0.000 0.977 725 R CA -0.907 55.070 56.100 -0.205 0.000 0.906 725 R CB 2.106 32.374 30.300 -0.054 0.000 1.197 725 R HN 0.582 nan 8.270 nan 0.000 0.463 726 H N 2.119 121.205 119.070 0.026 0.000 2.569 726 H HA 0.559 5.117 4.556 0.003 0.000 0.357 726 H C -0.304 175.024 175.328 0.001 0.000 1.153 726 H CA -0.683 55.375 56.048 0.017 0.000 1.193 726 H CB 2.462 32.235 29.762 0.018 0.000 1.602 726 H HN 0.215 nan 8.280 nan 0.000 0.523 727 L N 1.467 122.763 121.223 0.120 0.000 2.409 727 L HA 0.375 4.717 4.340 0.004 0.000 0.262 727 L C -0.406 176.482 176.870 0.030 0.000 0.992 727 L CA -0.601 54.265 54.840 0.043 0.000 0.817 727 L CB 2.705 44.765 42.059 0.001 0.000 1.350 727 L HN 0.534 nan 8.230 nan 0.000 0.411 728 E N 1.477 121.675 120.200 -0.004 0.000 2.220 728 E HA 0.332 4.684 4.350 0.004 0.000 0.256 728 E C -1.269 175.300 176.600 -0.052 0.000 0.881 728 E CA -0.436 55.952 56.400 -0.021 0.000 0.766 728 E CB 2.164 31.851 29.700 -0.021 0.000 1.187 728 E HN 0.399 nan 8.360 nan 0.000 0.419 729 T N 4.080 118.593 114.554 -0.067 0.000 3.053 729 T HA 0.288 4.640 4.350 0.004 0.000 0.363 729 T C -2.479 172.171 174.700 -0.083 0.000 1.239 729 T CA -1.684 60.355 62.100 -0.101 0.000 1.071 729 T CB 0.684 69.459 68.868 -0.155 0.000 1.089 729 T HN 0.123 nan 8.240 nan 0.000 0.527 730 P HA 0.075 nan 4.420 nan 0.000 0.265 730 P C -0.170 177.095 177.300 -0.059 0.000 1.187 730 P CA -0.046 63.020 63.100 -0.056 0.000 0.766 730 P CB 0.477 32.145 31.700 -0.052 0.000 0.820 731 S N 3.820 119.494 115.700 -0.043 0.000 2.499 731 S HA 0.345 4.817 4.470 0.004 0.000 0.279 731 S C -1.520 173.063 174.600 -0.029 0.000 1.219 731 S CA -1.636 56.542 58.200 -0.036 0.000 1.062 731 S CB 0.248 63.436 63.200 -0.019 0.000 0.978 731 S HN 0.311 nan 8.310 nan 0.000 0.489 732 P HA 0.132 nan 4.420 nan 0.000 0.249 732 P C 0.630 177.927 177.300 -0.005 0.000 1.229 732 P CA 0.306 63.392 63.100 -0.022 0.000 0.788 732 P CB 0.053 31.736 31.700 -0.028 0.000 1.072 733 L N -1.152 120.073 121.223 0.004 0.000 2.640 733 L HA 0.231 4.573 4.340 0.004 0.000 0.230 733 L C 0.411 177.346 176.870 0.108 0.000 1.123 733 L CA 0.013 54.874 54.840 0.036 0.000 0.900 733 L CB 0.386 42.448 42.059 0.004 0.000 1.146 733 L HN -0.266 nan 8.230 nan 0.000 0.484 734 V N 0.135 120.084 119.914 0.057 0.000 2.709 734 V HA 0.383 4.505 4.120 0.004 0.000 0.308 734 V C -2.329 173.739 176.094 -0.042 0.000 1.062 734 V CA -1.763 60.552 62.300 0.025 0.000 0.901 734 V CB 2.147 33.979 31.823 0.015 0.000 1.003 734 V HN -0.092 nan 8.190 nan 0.000 0.425 735 P HA 0.127 nan 4.420 nan 0.000 0.266 735 P C 0.973 178.228 177.300 -0.075 0.000 1.195 735 P CA 1.403 64.449 63.100 -0.090 0.000 0.768 735 P CB 0.766 32.388 31.700 -0.130 0.000 0.838 736 G N 2.527 111.293 108.800 -0.057 0.000 2.189 736 G HA2 -0.233 3.729 3.960 0.004 0.000 0.267 736 G HA3 -0.233 3.729 3.960 0.004 0.000 0.267 736 G C 0.871 175.745 174.900 -0.044 0.000 0.975 736 G CA 0.486 45.556 45.100 -0.050 0.000 0.644 736 G HN 1.089 nan 8.290 nan 0.000 0.537 737 G N -0.828 107.948 108.800 -0.040 0.000 2.148 737 G HA2 -0.252 3.710 3.960 0.004 0.000 0.254 737 G HA3 -0.252 3.710 3.960 0.004 0.000 0.254 737 G C 0.454 175.336 174.900 -0.031 0.000 0.981 737 G CA 0.454 45.533 45.100 -0.035 0.000 0.670 737 G HN 1.403 nan 8.290 nan 0.000 0.528 738 I N 0.440 120.990 120.570 -0.033 0.000 2.752 738 I HA 0.281 4.453 4.170 0.004 0.000 0.287 738 I C 0.872 176.983 176.117 -0.010 0.000 1.188 738 I CA 0.705 61.990 61.300 -0.025 0.000 1.427 738 I CB 0.613 38.591 38.000 -0.037 0.000 1.365 738 I HN 0.049 nan 8.210 nan 0.000 0.585 739 K N 3.289 123.691 120.400 0.003 0.000 2.444 739 K HA 0.579 4.901 4.320 0.004 0.000 0.252 739 K C -0.171 176.450 176.600 0.035 0.000 0.993 739 K CA -0.871 55.427 56.287 0.018 0.000 0.847 739 K CB 2.004 34.515 32.500 0.019 0.000 1.340 739 K HN 0.705 nan 8.250 nan 0.000 0.446 740 G N 0.311 109.140 108.800 0.047 0.000 2.547 740 G HA2 0.453 4.416 3.960 0.004 0.000 0.291 740 G HA3 0.453 4.416 3.960 0.004 0.000 0.291 740 G C 0.284 175.242 174.900 0.095 0.000 1.211 740 G CA -0.298 44.840 45.100 0.063 0.000 0.950 740 G HN 0.646 nan 8.290 nan 0.000 0.504 741 M N -2.389 117.275 119.600 0.106 0.000 2.749 741 M HA 0.259 4.741 4.480 0.004 0.000 0.479 741 M C 1.424 177.795 176.300 0.118 0.000 1.231 741 M CA 0.521 55.904 55.300 0.139 0.000 0.974 741 M CB -0.191 32.503 32.600 0.156 0.000 2.119 741 M HN 0.636 nan 8.290 nan 0.000 0.717 742 G N 1.440 110.300 108.800 0.099 0.000 2.505 742 G HA2 -0.219 3.743 3.960 0.004 0.000 0.220 742 G HA3 -0.219 3.743 3.960 0.004 0.000 0.220 742 G C 1.344 176.288 174.900 0.074 0.000 1.145 742 G CA 1.650 46.805 45.100 0.090 0.000 0.761 742 G HN 0.689 nan 8.290 nan 0.000 0.571 743 E N 0.458 120.697 120.200 0.064 0.000 2.442 743 E HA 0.024 4.377 4.350 0.004 0.000 0.195 743 E C 2.721 179.298 176.600 -0.038 0.000 1.030 743 E CA 0.461 56.874 56.400 0.022 0.000 0.869 743 E CB 0.127 29.861 29.700 0.057 0.000 0.857 743 E HN 0.570 nan 8.360 nan 0.000 0.505 744 S N 1.816 117.509 115.700 -0.011 0.000 2.393 744 S HA -0.354 4.119 4.470 0.004 0.000 0.235 744 S C 2.284 176.682 174.600 -0.337 0.000 1.061 744 S CA 1.496 59.607 58.200 -0.148 0.000 1.129 744 S CB -0.630 62.653 63.200 0.139 0.000 1.011 744 S HN 0.311 nan 8.310 nan 0.000 0.436 745 A N 1.216 123.936 122.820 -0.167 0.000 1.972 745 A HA 0.109 4.431 4.320 0.004 0.000 0.219 745 A C 2.302 179.667 177.584 -0.365 0.000 1.169 745 A CA 1.781 53.630 52.037 -0.315 0.000 0.635 745 A CB -0.620 18.272 19.000 -0.179 0.000 0.810 745 A HN 0.539 nan 8.150 nan 0.000 0.446 746 M N -0.699 118.748 119.600 -0.255 0.000 2.619 746 M HA 0.191 4.673 4.480 0.004 0.000 0.251 746 M C 1.611 177.787 176.300 -0.206 0.000 1.106 746 M CA 0.666 55.822 55.300 -0.240 0.000 1.086 746 M CB -0.782 31.655 32.600 -0.271 0.000 1.465 746 M HN 0.449 nan 8.290 nan 0.000 0.506 747 I N -1.758 118.673 120.570 -0.233 0.000 2.429 747 I HA -0.150 4.022 4.170 0.004 0.000 0.247 747 I C 2.350 178.342 176.117 -0.209 0.000 1.099 747 I CA 0.789 61.991 61.300 -0.163 0.000 1.422 747 I CB -0.075 37.822 38.000 -0.173 0.000 1.112 747 I HN 0.181 nan 8.210 nan 0.000 0.430 748 S N 0.191 115.656 115.700 -0.392 0.000 2.502 748 S HA 0.159 4.632 4.470 0.004 0.000 0.228 748 S C 2.128 176.596 174.600 -0.221 0.000 1.061 748 S CA 0.685 58.733 58.200 -0.255 0.000 0.935 748 S CB 0.014 63.086 63.200 -0.213 0.000 0.809 748 S HN 0.327 nan 8.310 nan 0.000 0.510 749 A N 2.425 124.948 122.820 -0.495 0.000 1.978 749 A HA 0.061 4.383 4.320 0.004 0.000 0.220 749 A C -0.326 177.277 177.584 0.032 0.000 1.170 749 A CA 1.512 53.416 52.037 -0.221 0.000 0.636 749 A CB -1.739 17.033 19.000 -0.380 0.000 0.810 749 A HN 0.501 nan 8.150 nan 0.000 0.448 750 P HA -0.104 nan 4.420 nan 0.000 0.216 750 P C 1.749 179.070 177.300 0.035 0.000 1.153 750 P CA 1.835 64.943 63.100 0.013 0.000 0.848 750 P CB -0.077 31.613 31.700 -0.017 0.000 0.787 751 A N -0.021 122.809 122.820 0.016 0.000 1.933 751 A HA -0.093 4.229 4.320 0.004 0.000 0.218 751 A C 2.293 179.896 177.584 0.032 0.000 1.175 751 A CA 1.955 54.003 52.037 0.018 0.000 0.628 751 A CB -1.585 17.424 19.000 0.014 0.000 0.814 751 A HN 0.183 nan 8.150 nan 0.000 0.444 752 A N -0.541 122.312 122.820 0.054 0.000 1.933 752 A HA 0.014 4.337 4.320 0.004 0.000 0.218 752 A C 2.211 179.778 177.584 -0.029 0.000 1.175 752 A CA 1.807 53.853 52.037 0.015 0.000 0.628 752 A CB -0.801 18.222 19.000 0.038 0.000 0.814 752 A HN 0.380 nan 8.150 nan 0.000 0.444 753 V N -0.503 119.434 119.914 0.037 0.000 2.323 753 V HA -0.187 3.936 4.120 0.004 0.000 0.244 753 V C 2.555 178.676 176.094 0.046 0.000 1.041 753 V CA 1.796 64.121 62.300 0.042 0.000 1.025 753 V CB -0.754 31.143 31.823 0.124 0.000 0.656 753 V HN 0.355 nan 8.190 nan 0.000 0.451 754 V N 0.598 120.548 119.914 0.060 0.000 2.343 754 V HA -0.265 3.857 4.120 0.004 0.000 0.247 754 V C 2.741 178.877 176.094 0.070 0.000 1.051 754 V CA 2.088 64.435 62.300 0.078 0.000 1.036 754 V CB -1.189 30.693 31.823 0.098 0.000 0.654 754 V HN 0.552 nan 8.190 nan 0.000 0.451 755 A N -0.062 122.783 122.820 0.042 0.000 1.933 755 A HA -0.093 4.230 4.320 0.004 0.000 0.218 755 A C 2.423 180.016 177.584 0.015 0.000 1.175 755 A CA 2.010 54.061 52.037 0.024 0.000 0.628 755 A CB -0.720 18.273 19.000 -0.012 0.000 0.814 755 A HN 0.572 nan 8.150 nan 0.000 0.444 756 A N -0.548 122.270 122.820 -0.003 0.000 1.902 756 A HA -0.001 4.321 4.320 0.004 0.000 0.217 756 A C 2.229 179.846 177.584 0.055 0.000 1.181 756 A CA 1.790 53.824 52.037 -0.004 0.000 0.623 756 A CB -0.900 18.072 19.000 -0.047 0.000 0.818 756 A HN 0.378 nan 8.150 nan 0.000 0.443 757 V N 1.032 120.986 119.914 0.066 0.000 2.295 757 V HA -0.254 3.868 4.120 0.004 0.000 0.246 757 V C 2.250 178.397 176.094 0.089 0.000 1.049 757 V CA 2.051 64.407 62.300 0.092 0.000 1.024 757 V CB -0.903 30.974 31.823 0.090 0.000 0.648 757 V HN 0.576 nan 8.190 nan 0.000 0.447 758 N N 0.061 118.805 118.700 0.074 0.000 2.289 758 N HA -0.196 4.546 4.740 0.004 0.000 0.184 758 N C 1.629 177.176 175.510 0.062 0.000 1.016 758 N CA 1.757 54.845 53.050 0.062 0.000 0.872 758 N CB -0.160 38.368 38.487 0.069 0.000 0.973 758 N HN 0.611 nan 8.380 nan 0.000 0.433 759 D N 0.547 120.991 120.400 0.073 0.000 2.149 759 D HA 0.033 4.675 4.640 0.004 0.000 0.201 759 D C 1.831 178.210 176.300 0.133 0.000 0.972 759 D CA 0.880 54.935 54.000 0.091 0.000 0.835 759 D CB 0.055 40.908 40.800 0.089 0.000 0.966 759 D HN 0.179 nan 8.370 nan 0.000 0.476 760 A N -0.132 122.777 122.820 0.149 0.000 1.969 760 A HA 0.002 4.325 4.320 0.004 0.000 0.218 760 A C 2.019 179.699 177.584 0.160 0.000 1.169 760 A CA 0.844 52.997 52.037 0.193 0.000 0.635 760 A CB -0.441 18.695 19.000 0.226 0.000 0.810 760 A HN 0.378 nan 8.150 nan 0.000 0.445 761 L N -1.257 120.010 121.223 0.074 0.000 2.640 761 L HA 0.208 4.550 4.340 0.004 0.000 0.230 761 L C 2.493 179.289 176.870 -0.123 0.000 1.123 761 L CA 0.353 55.143 54.840 -0.083 0.000 0.900 761 L CB -0.154 41.875 42.059 -0.049 0.000 1.146 761 L HN 0.353 nan 8.230 nan 0.000 0.484 762 A N 0.955 123.781 122.820 0.010 0.000 1.908 762 A HA -0.260 4.062 4.320 0.004 0.000 0.218 762 A C 2.238 179.808 177.584 -0.023 0.000 1.181 762 A CA 1.990 54.030 52.037 0.005 0.000 0.627 762 A CB -0.836 18.196 19.000 0.054 0.000 0.818 762 A HN 0.649 nan 8.150 nan 0.000 0.445 763 H N -0.380 118.639 119.070 -0.084 0.000 2.518 763 H HA 0.002 4.561 4.556 0.003 0.000 0.292 763 H C 1.318 176.587 175.328 -0.098 0.000 1.068 763 H CA 1.422 57.419 56.048 -0.086 0.000 1.275 763 H CB -0.598 29.103 29.762 -0.101 0.000 1.375 763 H HN 0.470 nan 8.280 nan 0.000 0.563 764 L N 0.599 121.442 121.223 -0.633 0.000 2.611 764 L HA 0.078 4.420 4.340 0.004 0.000 0.229 764 L C 0.174 176.910 176.870 -0.223 0.000 1.137 764 L CA 0.133 54.693 54.840 -0.467 0.000 0.901 764 L CB -0.158 41.566 42.059 -0.559 0.000 1.098 764 L HN 0.121 nan 8.230 nan 0.000 0.456 765 E N 0.128 120.234 120.200 -0.156 0.000 2.297 765 E HA -0.182 4.170 4.350 0.004 0.000 0.228 765 E C -0.651 175.895 176.600 -0.090 0.000 1.213 765 E CA -0.001 56.347 56.400 -0.087 0.000 0.712 765 E CB -1.303 28.360 29.700 -0.062 0.000 1.202 765 E HN 0.182 nan 8.360 nan 0.000 0.376 766 V N 0.344 120.196 119.914 -0.104 0.000 2.823 766 V HA 0.634 4.757 4.120 0.004 0.000 0.312 766 V C 0.232 176.288 176.094 -0.063 0.000 1.072 766 V CA -0.536 61.711 62.300 -0.089 0.000 0.937 766 V CB 2.149 33.909 31.823 -0.105 0.000 1.013 766 V HN 0.211 nan 8.190 nan 0.000 0.430 767 V N 2.003 121.882 119.914 -0.059 0.000 3.040 767 V HA 0.744 4.867 4.120 0.004 0.000 0.312 767 V C -0.937 175.123 176.094 -0.058 0.000 1.115 767 V CA -0.749 61.521 62.300 -0.049 0.000 0.998 767 V CB 2.280 34.063 31.823 -0.066 0.000 1.042 767 V HN 0.688 nan 8.190 nan 0.000 0.433 768 I N 2.030 122.577 120.570 -0.038 0.000 2.468 768 I HA 0.478 4.651 4.170 0.004 0.000 0.284 768 I C 0.099 176.192 176.117 -0.040 0.000 1.038 768 I CA -0.065 61.216 61.300 -0.033 0.000 1.083 768 I CB 2.124 40.133 38.000 0.014 0.000 1.223 768 I HN 0.830 nan 8.210 nan 0.000 0.443 769 E N 3.210 123.327 120.200 -0.138 0.000 2.548 769 E HA 0.171 4.523 4.350 0.004 0.000 0.206 769 E C -0.455 176.128 176.600 -0.028 0.000 1.005 769 E CA 0.044 56.296 56.400 -0.246 0.000 0.951 769 E CB 1.053 30.238 29.700 -0.859 0.000 1.035 769 E HN 0.468 nan 8.360 nan 0.000 0.470 770 T N 1.174 115.735 114.554 0.012 0.000 2.841 770 T HA 0.431 4.783 4.350 0.004 0.000 0.283 770 T C -0.373 174.368 174.700 0.068 0.000 1.000 770 T CA -0.745 61.384 62.100 0.049 0.000 0.977 770 T CB 1.971 70.848 68.868 0.014 0.000 0.979 770 T HN -0.010 nan 8.240 nan 0.000 0.446 771 V N 1.000 120.963 119.914 0.082 0.000 2.715 771 V HA 0.830 4.952 4.120 0.004 0.000 0.310 771 V C -2.701 173.429 176.094 0.059 0.000 1.054 771 V CA -3.013 59.331 62.300 0.073 0.000 0.928 771 V CB 1.601 33.475 31.823 0.085 0.000 1.007 771 V HN 0.638 nan 8.190 nan 0.000 0.437 772 P HA 0.356 nan 4.420 nan 0.000 0.274 772 P C -0.441 176.881 177.300 0.036 0.000 1.231 772 P CA -0.163 62.957 63.100 0.034 0.000 0.790 772 P CB 1.084 32.788 31.700 0.006 0.000 0.951 773 I N 2.496 123.092 120.570 0.044 0.000 2.269 773 I HA 0.108 4.281 4.170 0.004 0.000 0.293 773 I C 1.335 177.481 176.117 0.048 0.000 1.106 773 I CA -0.121 61.210 61.300 0.050 0.000 1.248 773 I CB 0.196 38.235 38.000 0.065 0.000 1.444 773 I HN 0.364 nan 8.210 nan 0.000 0.497 774 T N 3.278 117.855 114.554 0.039 0.000 2.912 774 T HA 0.378 4.730 4.350 0.004 0.000 0.280 774 T C -1.584 173.151 174.700 0.059 0.000 0.989 774 T CA -1.914 60.208 62.100 0.037 0.000 0.995 774 T CB 1.611 70.489 68.868 0.017 0.000 1.077 774 T HN 0.219 nan 8.240 nan 0.000 0.531 775 P HA -0.132 nan 4.420 nan 0.000 0.216 775 P C 1.315 178.642 177.300 0.045 0.000 1.150 775 P CA 1.231 64.395 63.100 0.107 0.000 0.837 775 P CB 0.173 31.940 31.700 0.111 0.000 0.786 776 E N 0.840 121.054 120.200 0.022 0.000 2.051 776 E HA -0.185 4.167 4.350 0.004 0.000 0.192 776 E C 2.253 178.892 176.600 0.065 0.000 0.991 776 E CA 1.430 57.851 56.400 0.036 0.000 0.799 776 E CB -0.563 29.150 29.700 0.021 0.000 0.748 776 E HN 0.087 nan 8.360 nan 0.000 0.449 777 R N -0.158 120.365 120.500 0.037 0.000 2.092 777 R HA -0.015 4.327 4.340 0.004 0.000 0.231 777 R C 2.544 178.850 176.300 0.011 0.000 1.119 777 R CA 1.444 57.555 56.100 0.019 0.000 0.970 777 R CB -0.344 29.968 30.300 0.020 0.000 0.864 777 R HN 0.323 nan 8.270 nan 0.000 0.440 778 I N 0.031 120.627 120.570 0.043 0.000 2.202 778 I HA -0.266 3.906 4.170 0.004 0.000 0.242 778 I C 2.237 178.341 176.117 -0.020 0.000 1.091 778 I CA 1.015 62.359 61.300 0.073 0.000 1.368 778 I CB -0.317 37.798 38.000 0.192 0.000 1.058 778 I HN 0.060 nan 8.210 nan 0.000 0.410 779 F N 2.161 121.872 119.950 -0.399 0.000 2.065 779 F HA -0.298 4.231 4.527 0.004 0.000 0.298 779 F C 2.573 178.178 175.800 -0.325 0.000 1.112 779 F CA 1.791 59.321 58.000 -0.784 0.000 1.212 779 F CB -0.376 38.073 39.000 -0.919 0.000 0.975 779 F HN -0.179 nan 8.300 nan 0.000 0.476 780 R N 0.851 121.130 120.500 -0.367 0.000 2.073 780 R HA -0.137 4.205 4.340 0.004 0.000 0.234 780 R C 2.828 178.962 176.300 -0.277 0.000 1.134 780 R CA 1.792 57.666 56.100 -0.375 0.000 0.952 780 R CB -0.998 29.223 30.300 -0.132 0.000 0.850 780 R HN 0.549 nan 8.270 nan 0.000 0.433 781 S N -0.141 115.461 115.700 -0.164 0.000 2.368 781 S HA -0.140 4.332 4.470 0.004 0.000 0.225 781 S C 2.068 176.593 174.600 -0.125 0.000 1.030 781 S CA 1.420 59.551 58.200 -0.116 0.000 0.999 781 S CB -0.516 62.648 63.200 -0.061 0.000 0.844 781 S HN 0.307 nan 8.310 nan 0.000 0.459 782 I N 1.840 122.339 120.570 -0.117 0.000 2.252 782 I HA -0.179 3.994 4.170 0.004 0.000 0.245 782 I C 3.070 179.104 176.117 -0.137 0.000 1.102 782 I CA 1.673 62.930 61.300 -0.072 0.000 1.385 782 I CB -0.500 37.546 38.000 0.077 0.000 1.064 782 I HN 0.481 nan 8.210 nan 0.000 0.414 783 Q N 1.482 121.108 119.800 -0.289 0.000 2.181 783 Q HA -0.228 4.114 4.340 0.004 0.000 0.205 783 Q C 1.206 177.086 176.000 -0.201 0.000 0.980 783 Q CA 1.594 57.208 55.803 -0.315 0.000 0.862 783 Q CB 0.075 28.440 28.738 -0.622 0.000 0.905 783 Q HN 0.547 nan 8.270 nan 0.000 0.429 784 E N 0.792 120.881 120.200 -0.186 0.000 2.419 784 E HA 0.037 4.389 4.350 0.004 0.000 0.190 784 E C -0.387 176.154 176.600 -0.099 0.000 1.040 784 E CA -0.347 55.976 56.400 -0.129 0.000 0.900 784 E CB 0.184 29.809 29.700 -0.123 0.000 1.054 784 E HN 0.316 nan 8.360 nan 0.000 0.462 785 R N 1.958 122.400 120.500 -0.097 0.000 2.694 785 R HA 0.208 4.550 4.340 0.004 0.000 0.268 785 R C -1.858 174.402 176.300 -0.066 0.000 1.061 785 R CA -1.111 54.939 56.100 -0.083 0.000 1.133 785 R CB -0.476 29.770 30.300 -0.089 0.000 1.020 785 R HN -0.170 nan 8.270 nan 0.000 0.475 786 P HA 0.000 nan 4.420 nan 0.000 0.216 786 P CA 0.000 63.073 63.100 -0.045 0.000 0.800 786 P CB 0.000 31.675 31.700 -0.042 0.000 0.726