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 2o1x_1_C DATA FIRST_RESID 7 DATA SEQUENCE TSDTPLLDQI HGPKDLKRLS REQLPALTEE LRGEIVRVCS RGGLHLASSL DATA SEQUENCE GAVDIITALH YVLDSPRDRI LFDVGHQAYA HKILTGRRDQ MADIKKEGGI DATA SEQUENCE SGFTKVSESE HDAITVGHAS TSLTNALGMA LARDAQGKDF HVAAVIGDGS DATA SEQUENCE LTGGMALAAL NTIGDMGRKM LIVLNDNEMS ISENXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXVN PFAAMGVRYV DATA SEQUENCE GPVDGHNVQE LVWLLERLVD LDGPTILHIV TTKGXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAYSWSA AFGEAVTEWA KTDPRTFVVT PAMREGSGLV DATA SEQUENCE EFSRVHPHRY LDVGIAEEVA VTTAAGMALQ GMRPVVAIYS TFLQRAYDQV DATA SEQUENCE LHDVAIEHLN VTFCIDRAGI VGADGATHNG VFDLSFLRSI PGVRIGLPKD DATA SEQUENCE AAELRGMLKY AQTHDGPFAI RYPRGNTAQV PAGTWPDLKW GEWERLKGGD DATA SEQUENCE DVVILAGGKA LDYALKAAED LPGVGVVNAR FVKPLDEEML REVGGRARAL DATA SEQUENCE ITVEDNTVVG GFGGAVLEAL NSMNLHPTVR VLGIPDEFQE HATAESVHAR DATA SEQUENCE AGIDAPAIRT VLAELGVDVP IE 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.700 174.700 0.000 0.000 1.109 7 T CA 0.000 62.100 62.100 0.001 0.000 1.349 7 T CB 0.000 68.869 68.868 0.001 0.000 0.612 8 S N 0.535 116.235 115.700 -0.001 0.000 4.158 8 S HA -0.299 4.171 4.470 -0.000 0.000 0.542 8 S C 1.350 175.949 174.600 -0.002 0.000 1.865 8 S CA 1.944 60.144 58.200 -0.001 0.000 4.248 8 S CB -1.630 61.570 63.200 -0.000 0.000 0.232 8 S HN 1.043 nan 8.310 nan 0.000 0.455 9 D N 1.701 122.100 120.400 -0.001 0.000 2.106 9 D HA -0.048 4.592 4.640 -0.000 0.000 0.194 9 D C 1.299 177.598 176.300 -0.003 0.000 0.988 9 D CA 2.302 56.301 54.000 -0.001 0.000 0.845 9 D CB -0.176 40.624 40.800 -0.000 0.000 0.990 9 D HN 0.745 nan 8.370 nan 0.000 0.448 10 T N -2.039 112.513 114.554 -0.003 0.000 3.250 10 T HA 0.404 4.754 4.350 -0.000 0.000 0.391 10 T C -2.085 172.610 174.700 -0.007 0.000 1.502 10 T CA -1.439 60.658 62.100 -0.005 0.000 1.320 10 T CB 1.684 70.550 68.868 -0.004 0.000 1.102 10 T HN -0.002 nan 8.240 nan 0.000 0.610 11 P HA -0.013 nan 4.420 nan 0.000 0.220 11 P C 1.497 178.788 177.300 -0.016 0.000 1.148 11 P CA 0.467 63.561 63.100 -0.010 0.000 0.803 11 P CB 0.307 32.002 31.700 -0.009 0.000 0.782 12 L N -0.968 120.244 121.223 -0.018 0.000 2.044 12 L HA -0.048 4.292 4.340 -0.000 0.000 0.205 12 L C 2.796 179.646 176.870 -0.033 0.000 1.075 12 L CA 0.908 55.732 54.840 -0.026 0.000 0.747 12 L CB -0.961 41.083 42.059 -0.024 0.000 0.903 12 L HN -0.102 nan 8.230 nan 0.000 0.435 13 L N -0.090 121.118 121.223 -0.025 0.000 2.265 13 L HA -0.228 4.112 4.340 -0.000 0.000 0.215 13 L C 1.937 178.791 176.870 -0.025 0.000 1.117 13 L CA 0.923 55.748 54.840 -0.026 0.000 0.782 13 L CB -0.348 41.703 42.059 -0.013 0.000 0.914 13 L HN 0.324 nan 8.230 nan 0.000 0.441 14 D N -0.410 119.979 120.400 -0.019 0.000 2.221 14 D HA -0.224 4.416 4.640 -0.000 0.000 0.204 14 D C 1.949 178.241 176.300 -0.012 0.000 0.982 14 D CA 1.223 55.221 54.000 -0.003 0.000 0.857 14 D CB 0.075 40.876 40.800 0.000 0.000 0.934 14 D HN 0.491 nan 8.370 nan 0.000 0.475 15 Q N -0.598 119.150 119.800 -0.087 0.000 2.378 15 Q HA 0.196 4.536 4.340 -0.000 0.000 0.216 15 Q C 0.234 175.926 176.000 -0.512 0.000 0.892 15 Q CA -0.218 55.449 55.803 -0.226 0.000 0.931 15 Q CB 0.892 29.537 28.738 -0.155 0.000 1.086 15 Q HN 0.179 nan 8.270 nan 0.000 0.528 16 I N 1.766 122.165 120.570 -0.286 0.000 2.598 16 I HA -0.109 4.061 4.170 -0.000 0.000 0.284 16 I C 0.532 176.532 176.117 -0.195 0.000 1.140 16 I CA 0.554 61.703 61.300 -0.251 0.000 1.420 16 I CB 0.546 38.479 38.000 -0.112 0.000 1.387 16 I HN 0.213 nan 8.210 nan 0.000 0.553 17 H N 4.407 123.445 119.070 -0.055 0.000 3.058 17 H HA 0.518 5.074 4.556 -0.000 0.000 0.266 17 H C 0.626 175.895 175.328 -0.098 0.000 1.135 17 H CA 0.089 56.099 56.048 -0.062 0.000 1.174 17 H CB 0.847 30.587 29.762 -0.035 0.000 1.581 17 H HN 0.708 nan 8.280 nan 0.000 0.553 18 G N 0.270 109.040 108.800 -0.050 0.000 2.321 18 G HA2 0.057 4.016 3.960 -0.000 0.000 0.298 18 G HA3 0.057 4.016 3.960 -0.000 0.000 0.298 18 G C -2.263 172.548 174.900 -0.149 0.000 1.385 18 G CA -0.914 44.088 45.100 -0.164 0.000 0.856 18 G HN -0.303 nan 8.290 nan 0.000 0.584 19 P HA -0.121 nan 4.420 nan 0.000 0.217 19 P C 1.669 178.969 177.300 -0.001 0.000 1.148 19 P CA 1.622 64.679 63.100 -0.071 0.000 0.834 19 P CB 0.219 31.915 31.700 -0.006 0.000 0.783 20 K N -0.663 119.737 120.400 -0.000 0.000 2.211 20 K HA -0.123 4.197 4.320 -0.000 0.000 0.203 20 K C 1.590 178.192 176.600 0.003 0.000 1.050 20 K CA 1.321 57.615 56.287 0.013 0.000 0.945 20 K CB -0.273 32.243 32.500 0.027 0.000 0.732 20 K HN 0.023 nan 8.250 nan 0.000 0.451 21 D N 0.081 120.470 120.400 -0.018 0.000 2.183 21 D HA -0.098 4.541 4.640 -0.000 0.000 0.205 21 D C 1.694 177.986 176.300 -0.014 0.000 0.962 21 D CA 0.497 54.472 54.000 -0.043 0.000 0.849 21 D CB 0.106 40.832 40.800 -0.123 0.000 0.978 21 D HN 0.125 nan 8.370 nan 0.000 0.488 22 L N 1.722 122.949 121.223 0.007 0.000 2.131 22 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 22 L C 1.791 178.765 176.870 0.172 0.000 1.092 22 L CA 1.623 56.503 54.840 0.067 0.000 0.759 22 L CB -0.300 41.806 42.059 0.079 0.000 0.903 22 L HN -0.175 nan 8.230 nan 0.000 0.435 23 K N -0.920 119.567 120.400 0.145 0.000 2.288 23 K HA -0.088 4.232 4.320 -0.000 0.000 0.201 23 K C 2.076 178.779 176.600 0.172 0.000 1.048 23 K CA 0.704 57.089 56.287 0.164 0.000 0.956 23 K CB -0.054 32.441 32.500 -0.009 0.000 0.746 23 K HN 0.346 nan 8.250 nan 0.000 0.461 24 R N 0.713 121.273 120.500 0.099 0.000 2.120 24 R HA -0.003 4.337 4.340 -0.000 0.000 0.234 24 R C 0.669 177.016 176.300 0.079 0.000 1.123 24 R CA 0.549 56.690 56.100 0.068 0.000 0.975 24 R CB -0.236 30.080 30.300 0.026 0.000 0.866 24 R HN 0.100 nan 8.270 nan 0.000 0.446 25 L N 1.615 122.889 121.223 0.086 0.000 2.426 25 L HA 0.024 4.364 4.340 -0.000 0.000 0.271 25 L C 1.055 177.959 176.870 0.057 0.000 1.169 25 L CA -0.359 54.507 54.840 0.043 0.000 0.836 25 L CB 0.953 43.010 42.059 -0.003 0.000 1.112 25 L HN 0.204 nan 8.230 nan 0.000 0.465 26 S N 3.034 118.741 115.700 0.011 0.000 2.640 26 S HA 0.237 4.707 4.470 -0.000 0.000 0.262 26 S C 1.269 175.811 174.600 -0.096 0.000 1.232 26 S CA -0.677 57.531 58.200 0.014 0.000 0.988 26 S CB 0.847 64.056 63.200 0.016 0.000 1.034 26 S HN 0.534 nan 8.310 nan 0.000 0.569 27 R N 1.565 122.034 120.500 -0.050 0.000 2.073 27 R HA -0.045 4.295 4.340 -0.000 0.000 0.234 27 R C 2.031 178.269 176.300 -0.103 0.000 1.134 27 R CA 1.673 57.713 56.100 -0.100 0.000 0.952 27 R CB -1.098 29.214 30.300 0.020 0.000 0.850 27 R HN 0.903 nan 8.270 nan 0.000 0.433 28 E N 0.679 120.849 120.200 -0.050 0.000 2.502 28 E HA -0.087 4.262 4.350 -0.000 0.000 0.194 28 E C 1.262 177.834 176.600 -0.047 0.000 1.062 28 E CA 0.402 56.780 56.400 -0.036 0.000 0.867 28 E CB -0.127 29.566 29.700 -0.011 0.000 0.888 28 E HN 0.391 nan 8.360 nan 0.000 0.510 29 Q N 0.295 120.056 119.800 -0.066 0.000 2.451 29 Q HA 0.178 4.518 4.340 -0.000 0.000 0.206 29 Q C 1.987 177.939 176.000 -0.081 0.000 0.947 29 Q CA 0.001 55.767 55.803 -0.062 0.000 0.937 29 Q CB 0.101 28.808 28.738 -0.052 0.000 1.025 29 Q HN 0.286 nan 8.270 nan 0.000 0.511 30 L N 0.322 121.474 121.223 -0.119 0.000 2.044 30 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 30 L C -0.782 176.052 176.870 -0.059 0.000 1.075 30 L CA 1.003 55.770 54.840 -0.120 0.000 0.747 30 L CB -1.324 40.621 42.059 -0.189 0.000 0.903 30 L HN 0.111 nan 8.230 nan 0.000 0.435 31 P HA -0.232 nan 4.420 nan 0.000 0.216 31 P C 1.441 178.726 177.300 -0.025 0.000 1.153 31 P CA 1.953 65.038 63.100 -0.026 0.000 0.858 31 P CB -0.018 31.669 31.700 -0.022 0.000 0.789 32 A N -0.716 122.087 122.820 -0.028 0.000 1.858 32 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 32 A C 2.127 179.699 177.584 -0.020 0.000 1.190 32 A CA 1.565 53.588 52.037 -0.023 0.000 0.617 32 A CB -1.671 17.315 19.000 -0.023 0.000 0.827 32 A HN 0.177 nan 8.150 nan 0.000 0.443 33 L N -0.137 121.072 121.223 -0.023 0.000 2.275 33 L HA -0.068 4.272 4.340 -0.000 0.000 0.215 33 L C 2.342 179.208 176.870 -0.005 0.000 1.119 33 L CA 2.421 57.252 54.840 -0.015 0.000 0.790 33 L CB -0.953 41.095 42.059 -0.019 0.000 0.919 33 L HN 0.382 nan 8.230 nan 0.000 0.443 34 T N -0.448 114.102 114.554 -0.006 0.000 2.699 34 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 34 T C 1.712 176.409 174.700 -0.006 0.000 1.036 34 T CA 1.765 63.865 62.100 0.001 0.000 1.147 34 T CB -0.127 68.739 68.868 -0.003 0.000 0.862 34 T HN 0.427 nan 8.240 nan 0.000 0.446 35 E N 0.818 121.010 120.200 -0.013 0.000 2.112 35 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 35 E C 2.317 178.912 176.600 -0.008 0.000 0.979 35 E CA 0.747 57.138 56.400 -0.015 0.000 0.814 35 E CB -0.117 29.572 29.700 -0.018 0.000 0.762 35 E HN 0.622 nan 8.360 nan 0.000 0.460 36 E N 0.750 120.946 120.200 -0.007 0.000 2.072 36 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 36 E C 2.316 178.917 176.600 0.002 0.000 0.985 36 E CA 0.515 56.913 56.400 -0.004 0.000 0.801 36 E CB -0.013 29.683 29.700 -0.007 0.000 0.750 36 E HN 0.151 nan 8.360 nan 0.000 0.452 37 L N 0.418 121.645 121.223 0.006 0.000 2.027 37 L HA -0.158 4.182 4.340 -0.000 0.000 0.206 37 L C 2.728 179.611 176.870 0.022 0.000 1.074 37 L CA 1.047 55.897 54.840 0.016 0.000 0.745 37 L CB -0.179 41.895 42.059 0.025 0.000 0.898 37 L HN 0.025 nan 8.230 nan 0.000 0.433 38 R N -0.312 120.197 120.500 0.015 0.000 2.120 38 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 38 R C 2.143 178.450 176.300 0.012 0.000 1.123 38 R CA 1.201 57.309 56.100 0.013 0.000 0.975 38 R CB -0.366 29.932 30.300 -0.004 0.000 0.866 38 R HN 0.432 nan 8.270 nan 0.000 0.446 39 G N -0.169 108.636 108.800 0.007 0.000 2.443 39 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 39 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 39 G C 1.239 176.148 174.900 0.015 0.000 1.131 39 G CA 0.589 45.694 45.100 0.008 0.000 0.775 39 G HN 0.332 nan 8.290 nan 0.000 0.547 40 E N 0.123 120.334 120.200 0.019 0.000 2.107 40 E HA 0.038 4.388 4.350 -0.000 0.000 0.191 40 E C 2.360 178.985 176.600 0.042 0.000 0.982 40 E CA 0.446 56.861 56.400 0.024 0.000 0.809 40 E CB -0.170 29.542 29.700 0.019 0.000 0.756 40 E HN 0.500 nan 8.360 nan 0.000 0.459 41 I N -0.453 120.151 120.570 0.057 0.000 2.353 41 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 41 I C 1.936 178.094 176.117 0.068 0.000 1.119 41 I CA 0.409 61.765 61.300 0.094 0.000 1.417 41 I CB 0.039 38.097 38.000 0.097 0.000 1.078 41 I HN 0.020 nan 8.210 nan 0.000 0.421 42 V N 0.604 120.541 119.914 0.038 0.000 2.515 42 V HA -0.228 3.892 4.120 -0.000 0.000 0.250 42 V C 2.569 178.680 176.094 0.027 0.000 1.058 42 V CA 1.612 63.927 62.300 0.025 0.000 1.064 42 V CB -0.803 31.029 31.823 0.014 0.000 0.675 42 V HN 0.380 nan 8.190 nan 0.000 0.461 43 R N -0.056 120.461 120.500 0.028 0.000 2.062 43 R HA -0.098 4.241 4.340 -0.000 0.000 0.231 43 R C 2.250 178.569 176.300 0.031 0.000 1.136 43 R CA 1.545 57.659 56.100 0.024 0.000 0.948 43 R CB -0.257 30.054 30.300 0.018 0.000 0.845 43 R HN 0.419 nan 8.270 nan 0.000 0.430 44 V N -0.036 119.905 119.914 0.045 0.000 2.515 44 V HA -0.274 3.845 4.120 -0.000 0.000 0.250 44 V C 2.402 178.540 176.094 0.073 0.000 1.058 44 V CA 1.348 63.681 62.300 0.054 0.000 1.064 44 V CB -0.357 31.505 31.823 0.065 0.000 0.675 44 V HN 0.498 nan 8.190 nan 0.000 0.461 45 C N 0.700 120.049 119.300 0.082 0.000 2.466 45 C HA -0.082 4.378 4.460 -0.000 0.000 0.278 45 C C 3.132 178.143 174.990 0.034 0.000 1.288 45 C CA 1.260 60.320 59.018 0.069 0.000 1.722 45 C CB -0.916 26.850 27.740 0.043 0.000 2.017 45 C HN 0.730 nan 8.230 nan 0.000 0.488 46 S N 0.815 116.531 115.700 0.026 0.000 2.507 46 S HA -0.146 4.324 4.470 -0.000 0.000 0.235 46 S C 1.815 176.424 174.600 0.014 0.000 0.988 46 S CA 0.744 58.954 58.200 0.017 0.000 0.944 46 S CB -0.580 62.629 63.200 0.015 0.000 0.762 46 S HN 0.687 nan 8.310 nan 0.000 0.526 47 R N 2.071 122.581 120.500 0.017 0.000 2.057 47 R HA 0.128 4.467 4.340 -0.000 0.000 0.229 47 R C 1.027 177.332 176.300 0.008 0.000 1.136 47 R CA 1.422 57.529 56.100 0.012 0.000 0.952 47 R CB -0.470 29.838 30.300 0.012 0.000 0.848 47 R HN 0.517 nan 8.270 nan 0.000 0.430 48 G N -2.034 106.771 108.800 0.007 0.000 2.870 48 G HA2 0.397 4.357 3.960 -0.000 0.000 0.299 48 G HA3 0.397 4.357 3.960 -0.000 0.000 0.299 48 G C -1.174 173.716 174.900 -0.016 0.000 1.324 48 G CA -0.383 44.716 45.100 -0.002 0.000 0.808 48 G HN 0.240 nan 8.290 nan 0.000 0.535 49 G N -0.064 108.715 108.800 -0.034 0.000 2.605 49 G HA2 0.487 4.447 3.960 -0.000 0.000 0.301 49 G HA3 0.487 4.447 3.960 -0.000 0.000 0.301 49 G C -0.035 174.772 174.900 -0.155 0.000 0.881 49 G CA -0.114 44.938 45.100 -0.080 0.000 1.553 49 G HN 0.477 nan 8.290 nan 0.000 0.483 50 L N 3.680 124.813 121.223 -0.150 0.000 2.980 50 L HA 0.254 4.594 4.340 -0.000 0.000 0.314 50 L C -0.129 176.699 176.870 -0.070 0.000 1.303 50 L CA -1.030 53.750 54.840 -0.101 0.000 0.785 50 L CB -0.281 41.855 42.059 0.129 0.000 1.190 50 L HN 0.584 nan 8.230 nan 0.000 0.567 51 H N -0.082 119.001 119.070 0.022 0.000 2.727 51 H HA -0.152 4.404 4.556 -0.000 0.000 0.312 51 H C 0.617 175.818 175.328 -0.212 0.000 0.958 51 H CA 0.255 56.276 56.048 -0.046 0.000 1.016 51 H CB -0.770 28.999 29.762 0.012 0.000 1.616 51 H HN 0.310 nan 8.280 nan 0.000 0.345 52 L N 1.948 123.147 121.223 -0.039 0.000 1.950 52 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 52 L C 2.756 179.573 176.870 -0.088 0.000 1.079 52 L CA 2.342 57.141 54.840 -0.068 0.000 0.754 52 L CB -0.792 41.256 42.059 -0.017 0.000 0.889 52 L HN 0.627 nan 8.230 nan 0.000 0.433 53 A N -1.351 121.449 122.820 -0.033 0.000 2.014 53 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 53 A C 2.468 180.027 177.584 -0.042 0.000 1.163 53 A CA 1.535 53.560 52.037 -0.019 0.000 0.652 53 A CB -0.742 18.269 19.000 0.019 0.000 0.808 53 A HN 0.380 nan 8.150 nan 0.000 0.449 54 S N 0.513 116.164 115.700 -0.081 0.000 2.359 54 S HA -0.171 4.299 4.470 -0.000 0.000 0.223 54 S C 2.346 176.824 174.600 -0.203 0.000 1.039 54 S CA 1.812 59.910 58.200 -0.170 0.000 1.042 54 S CB -0.338 62.616 63.200 -0.409 0.000 0.915 54 S HN 0.716 nan 8.310 nan 0.000 0.439 55 S N 1.998 117.536 115.700 -0.271 0.000 2.356 55 S HA -0.034 4.436 4.470 -0.000 0.000 0.223 55 S C 1.874 176.439 174.600 -0.057 0.000 1.032 55 S CA 1.107 59.190 58.200 -0.194 0.000 1.005 55 S CB -0.665 62.349 63.200 -0.310 0.000 0.867 55 S HN 0.356 nan 8.310 nan 0.000 0.449 56 L N 1.163 122.358 121.223 -0.048 0.000 2.021 56 L HA -0.168 4.172 4.340 -0.000 0.000 0.215 56 L C 2.765 179.675 176.870 0.066 0.000 1.074 56 L CA 1.473 56.317 54.840 0.006 0.000 0.760 56 L CB -1.188 40.870 42.059 -0.002 0.000 0.889 56 L HN 0.475 nan 8.230 nan 0.000 0.433 57 G N -1.081 107.770 108.800 0.085 0.000 2.484 57 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.218 57 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.218 57 G C 1.529 176.526 174.900 0.162 0.000 1.130 57 G CA 0.638 45.848 45.100 0.184 0.000 0.784 57 G HN 0.478 nan 8.290 nan 0.000 0.543 58 A N -0.105 122.774 122.820 0.098 0.000 2.238 58 A HA 0.443 4.763 4.320 -0.000 0.000 0.210 58 A C 2.283 179.948 177.584 0.135 0.000 1.179 58 A CA 0.525 52.628 52.037 0.111 0.000 0.827 58 A CB 0.049 19.110 19.000 0.101 0.000 0.856 58 A HN 0.146 nan 8.150 nan 0.000 0.488 59 V N 0.733 120.721 119.914 0.124 0.000 2.332 59 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 59 V C 1.910 178.080 176.094 0.127 0.000 1.055 59 V CA 2.309 64.677 62.300 0.114 0.000 1.038 59 V CB -0.568 31.302 31.823 0.078 0.000 0.651 59 V HN 0.548 nan 8.190 nan 0.000 0.450 60 D N -0.803 119.690 120.400 0.156 0.000 2.310 60 D HA -0.078 4.562 4.640 -0.000 0.000 0.212 60 D C 1.801 178.177 176.300 0.126 0.000 0.965 60 D CA 1.079 55.169 54.000 0.150 0.000 0.879 60 D CB 0.359 41.302 40.800 0.238 0.000 0.921 60 D HN 0.485 nan 8.370 nan 0.000 0.510 61 I N 0.051 120.697 120.570 0.128 0.000 3.339 61 I HA 0.014 4.184 4.170 -0.000 0.000 0.285 61 I C 1.968 178.164 176.117 0.131 0.000 1.201 61 I CA 0.298 61.664 61.300 0.110 0.000 1.434 61 I CB 0.239 38.289 38.000 0.083 0.000 1.152 61 I HN -0.205 nan 8.210 nan 0.000 0.443 62 I N 0.810 121.490 120.570 0.183 0.000 2.163 62 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 62 I C 2.445 178.689 176.117 0.211 0.000 1.085 62 I CA 2.110 63.552 61.300 0.237 0.000 1.347 62 I CB -0.960 37.209 38.000 0.283 0.000 1.044 62 I HN 0.335 nan 8.210 nan 0.000 0.408 63 T N -0.025 114.640 114.554 0.185 0.000 2.635 63 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 63 T C 1.934 176.744 174.700 0.183 0.000 1.040 63 T CA 1.277 63.479 62.100 0.170 0.000 1.156 63 T CB -0.757 68.172 68.868 0.102 0.000 0.863 63 T HN 0.405 nan 8.240 nan 0.000 0.430 64 A N 0.497 123.407 122.820 0.150 0.000 2.168 64 A HA 0.365 4.685 4.320 -0.000 0.000 0.215 64 A C 2.279 179.962 177.584 0.166 0.000 1.152 64 A CA 0.518 52.658 52.037 0.171 0.000 0.716 64 A CB -0.732 18.345 19.000 0.128 0.000 0.794 64 A HN 0.538 nan 8.150 nan 0.000 0.465 65 L N -1.999 119.292 121.223 0.113 0.000 2.168 65 L HA 0.006 4.346 4.340 -0.000 0.000 0.203 65 L C 2.387 179.273 176.870 0.027 0.000 1.078 65 L CA 0.626 55.483 54.840 0.028 0.000 0.780 65 L CB -0.372 41.653 42.059 -0.058 0.000 0.939 65 L HN 0.395 nan 8.230 nan 0.000 0.451 66 H N -1.665 117.505 119.070 0.167 0.000 2.462 66 H HA -0.155 4.401 4.556 -0.000 0.000 0.292 66 H C 1.806 177.215 175.328 0.136 0.000 1.049 66 H CA 1.185 57.317 56.048 0.141 0.000 1.334 66 H CB 0.049 29.886 29.762 0.125 0.000 1.404 66 H HN 0.365 nan 8.280 nan 0.000 0.544 67 Y N 0.797 121.186 120.300 0.148 0.000 2.314 67 Y HA -0.160 4.390 4.550 -0.000 0.000 0.293 67 Y C 2.108 178.046 175.900 0.063 0.000 1.129 67 Y CA 0.869 59.022 58.100 0.089 0.000 1.201 67 Y CB 0.111 38.613 38.460 0.070 0.000 0.999 67 Y HN -0.110 nan 8.280 nan 0.000 0.541 68 V N 0.407 120.314 119.914 -0.011 0.000 2.326 68 V HA -0.093 4.027 4.120 -0.000 0.000 0.238 68 V C 0.800 176.852 176.094 -0.070 0.000 1.038 68 V CA 0.634 62.870 62.300 -0.106 0.000 1.032 68 V CB -0.338 31.475 31.823 -0.018 0.000 0.675 68 V HN 0.055 nan 8.190 nan 0.000 0.467 69 L N 2.706 123.929 121.223 0.001 0.000 2.305 69 L HA 0.321 4.661 4.340 -0.000 0.000 0.281 69 L C -0.494 176.424 176.870 0.080 0.000 1.085 69 L CA -0.569 54.290 54.840 0.032 0.000 0.813 69 L CB 0.739 42.825 42.059 0.046 0.000 1.157 69 L HN 0.431 nan 8.230 nan 0.000 0.436 70 D N 1.825 122.268 120.400 0.072 0.000 2.393 70 D HA 0.104 4.744 4.640 -0.000 0.000 0.232 70 D C 0.042 176.418 176.300 0.127 0.000 1.192 70 D CA -0.387 53.671 54.000 0.096 0.000 0.882 70 D CB 1.250 42.084 40.800 0.057 0.000 1.038 70 D HN 0.400 nan 8.370 nan 0.000 0.499 71 S N 2.249 118.074 115.700 0.208 0.000 2.554 71 S HA 0.472 4.942 4.470 -0.000 0.000 0.278 71 S C -1.875 172.884 174.600 0.265 0.000 1.242 71 S CA -1.082 57.263 58.200 0.242 0.000 1.051 71 S CB 1.859 65.293 63.200 0.390 0.000 0.986 71 S HN 0.322 nan 8.310 nan 0.000 0.502 72 P HA 0.264 nan 4.420 nan 0.000 0.266 72 P C 0.952 178.200 177.300 -0.087 0.000 1.381 72 P CA -0.335 62.775 63.100 0.015 0.000 0.940 72 P CB 0.219 31.863 31.700 -0.094 0.000 1.435 73 R N 0.653 121.124 120.500 -0.048 0.000 2.070 73 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 73 R C 0.087 176.302 176.300 -0.142 0.000 1.138 73 R CA 1.250 57.292 56.100 -0.097 0.000 0.936 73 R CB -0.968 29.331 30.300 -0.001 0.000 0.839 73 R HN 0.337 nan 8.270 nan 0.000 0.429 74 D N 0.795 121.206 120.400 0.019 0.000 2.313 74 D HA 0.172 4.812 4.640 -0.000 0.000 0.247 74 D C -0.012 176.316 176.300 0.046 0.000 1.094 74 D CA 0.047 54.114 54.000 0.111 0.000 0.925 74 D CB 0.797 41.694 40.800 0.160 0.000 1.188 74 D HN -0.232 nan 8.370 nan 0.000 0.430 75 R N 1.510 122.062 120.500 0.086 0.000 2.494 75 R HA 0.532 4.871 4.340 -0.000 0.000 0.305 75 R C -0.706 175.619 176.300 0.042 0.000 0.959 75 R CA -0.646 55.479 56.100 0.042 0.000 0.864 75 R CB 1.150 31.450 30.300 0.001 0.000 1.159 75 R HN 0.469 nan 8.270 nan 0.000 0.446 76 I N 4.316 124.898 120.570 0.019 0.000 2.355 76 I HA 0.282 4.452 4.170 -0.000 0.000 0.288 76 I C -0.525 175.505 176.117 -0.146 0.000 0.999 76 I CA -0.886 60.353 61.300 -0.101 0.000 1.163 76 I CB 1.309 39.237 38.000 -0.120 0.000 1.316 76 I HN 0.155 nan 8.210 nan 0.000 0.454 77 L N 6.773 127.848 121.223 -0.247 0.000 2.322 77 L HA 0.517 4.857 4.340 -0.000 0.000 0.279 77 L C -0.803 175.831 176.870 -0.394 0.000 1.036 77 L CA -0.018 54.713 54.840 -0.181 0.000 0.807 77 L CB 0.940 42.936 42.059 -0.106 0.000 1.226 77 L HN 0.296 nan 8.230 nan 0.000 0.433 78 F N 1.032 120.956 119.950 -0.043 0.000 2.493 78 F HA 0.290 4.816 4.527 -0.000 0.000 0.329 78 F C 0.425 176.232 175.800 0.012 0.000 1.126 78 F CA -0.720 57.269 58.000 -0.018 0.000 0.937 78 F CB 1.537 40.526 39.000 -0.018 0.000 1.146 78 F HN 0.426 nan 8.300 nan 0.000 0.442 79 D N 3.055 123.556 120.400 0.168 0.000 2.348 79 D HA 0.270 4.910 4.640 -0.000 0.000 0.253 79 D C 0.940 177.333 176.300 0.155 0.000 1.161 79 D CA 0.583 54.649 54.000 0.110 0.000 0.876 79 D CB 1.165 41.998 40.800 0.055 0.000 1.160 79 D HN 0.557 nan 8.370 nan 0.000 0.459 80 V N 3.806 123.762 119.914 0.070 0.000 0.456 80 V HA -0.430 3.690 4.120 -0.000 0.000 0.092 80 V C 1.658 177.799 176.094 0.079 0.000 2.503 80 V CA 2.015 64.314 62.300 -0.002 0.000 3.694 80 V CB -2.019 29.781 31.823 -0.039 0.000 0.970 80 V HN 0.909 nan 8.190 nan 0.000 1.019 81 G N -0.668 108.305 108.800 0.289 0.000 2.194 81 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.236 81 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.236 81 G C 0.465 175.603 174.900 0.397 0.000 0.987 81 G CA 0.932 46.231 45.100 0.332 0.000 0.635 81 G HN 1.907 nan 8.290 nan 0.000 0.520 82 H N 1.111 120.324 119.070 0.238 0.000 2.546 82 H HA 0.059 4.615 4.556 -0.000 0.000 0.277 82 H C 1.873 177.209 175.328 0.013 0.000 1.004 82 H CA 1.608 57.723 56.048 0.112 0.000 1.231 82 H CB -0.003 29.630 29.762 -0.215 0.000 1.382 82 H HN 0.593 nan 8.280 nan 0.000 0.580 83 Q N 0.677 120.276 119.800 -0.336 0.000 2.247 83 Q HA 0.289 4.629 4.340 -0.000 0.000 0.204 83 Q C 0.579 176.491 176.000 -0.147 0.000 0.872 83 Q CA 0.430 56.030 55.803 -0.339 0.000 0.951 83 Q CB -0.124 28.438 28.738 -0.295 0.000 1.099 83 Q HN 0.418 nan 8.270 nan 0.000 0.501 84 A N 0.643 123.400 122.820 -0.105 0.000 2.988 84 A HA 0.307 4.627 4.320 -0.000 0.000 0.288 84 A C 0.014 177.643 177.584 0.076 0.000 1.385 84 A CA -0.502 51.344 52.037 -0.318 0.000 1.001 84 A CB -0.486 18.112 19.000 -0.669 0.000 1.071 84 A HN 0.165 nan 8.150 nan 0.000 0.608 85 Y N -0.388 119.845 120.300 -0.110 0.000 2.206 85 Y HA 0.014 4.564 4.550 -0.000 0.000 0.292 85 Y C 2.601 178.481 175.900 -0.033 0.000 1.123 85 Y CA 0.837 58.907 58.100 -0.051 0.000 1.142 85 Y CB -0.656 37.785 38.460 -0.031 0.000 1.006 85 Y HN 0.460 nan 8.280 nan 0.000 0.518 86 A N -1.011 121.901 122.820 0.153 0.000 2.121 86 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 86 A C 1.882 179.533 177.584 0.112 0.000 1.154 86 A CA 1.701 53.801 52.037 0.105 0.000 0.679 86 A CB -0.995 18.072 19.000 0.111 0.000 0.795 86 A HN 0.629 nan 8.150 nan 0.000 0.458 87 H N 0.080 119.150 119.070 -0.000 0.000 2.307 87 H HA 0.028 4.584 4.556 -0.000 0.000 0.303 87 H C 1.911 177.239 175.328 -0.000 0.000 1.073 87 H CA 2.085 58.162 56.048 0.049 0.000 1.338 87 H CB -0.084 29.597 29.762 -0.135 0.000 1.389 87 H HN 0.364 nan 8.280 nan 0.000 0.503 88 K N 0.024 120.311 120.400 -0.187 0.000 2.097 88 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 88 K C 2.257 178.727 176.600 -0.215 0.000 1.049 88 K CA 1.602 57.742 56.287 -0.245 0.000 0.933 88 K CB -0.021 32.391 32.500 -0.147 0.000 0.717 88 K HN 0.369 nan 8.250 nan 0.000 0.442 89 I N 1.090 121.574 120.570 -0.144 0.000 2.394 89 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 89 I C 1.963 178.002 176.117 -0.131 0.000 1.136 89 I CA 1.103 62.339 61.300 -0.105 0.000 1.425 89 I CB -0.175 37.795 38.000 -0.050 0.000 1.079 89 I HN 0.085 nan 8.210 nan 0.000 0.425 90 L N 0.232 121.347 121.223 -0.179 0.000 2.554 90 L HA -0.004 4.336 4.340 -0.000 0.000 0.226 90 L C 1.052 177.672 176.870 -0.416 0.000 1.137 90 L CA 0.713 55.413 54.840 -0.233 0.000 0.863 90 L CB -0.378 41.584 42.059 -0.161 0.000 0.985 90 L HN 0.359 nan 8.230 nan 0.000 0.451 91 T N -3.486 110.784 114.554 -0.473 0.000 3.374 91 T HA 0.458 4.808 4.350 -0.000 0.000 0.267 91 T C 0.907 175.451 174.700 -0.261 0.000 0.996 91 T CA 0.035 61.789 62.100 -0.577 0.000 0.977 91 T CB 0.632 68.975 68.868 -0.875 0.000 1.149 91 T HN 0.269 nan 8.240 nan 0.000 0.517 92 G N 2.051 110.758 108.800 -0.154 0.000 2.182 92 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.248 92 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.248 92 G C 0.237 175.106 174.900 -0.051 0.000 1.042 92 G CA -0.278 44.790 45.100 -0.054 0.000 0.775 92 G HN 0.639 nan 8.290 nan 0.000 0.501 93 R N -1.047 119.408 120.500 -0.075 0.000 2.635 93 R HA 0.287 4.627 4.340 -0.000 0.000 0.393 93 R C 1.674 177.931 176.300 -0.071 0.000 1.070 93 R CA -0.158 55.901 56.100 -0.068 0.000 1.118 93 R CB 0.308 30.562 30.300 -0.075 0.000 1.341 93 R HN 0.315 nan 8.270 nan 0.000 0.628 94 R N 0.842 121.311 120.500 -0.052 0.000 2.062 94 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 94 R C 0.489 176.766 176.300 -0.040 0.000 1.136 94 R CA 1.948 58.023 56.100 -0.042 0.000 0.948 94 R CB 0.175 30.464 30.300 -0.019 0.000 0.845 94 R HN 0.083 nan 8.270 nan 0.000 0.430 95 D N 0.586 120.967 120.400 -0.032 0.000 2.378 95 D HA -0.107 4.533 4.640 -0.000 0.000 0.227 95 D C 0.689 176.970 176.300 -0.033 0.000 1.012 95 D CA 0.769 54.752 54.000 -0.028 0.000 0.905 95 D CB 0.165 40.950 40.800 -0.025 0.000 0.895 95 D HN 0.599 nan 8.370 nan 0.000 0.532 96 Q N -0.916 118.858 119.800 -0.043 0.000 2.179 96 Q HA 0.204 4.543 4.340 -0.000 0.000 0.213 96 Q C 1.123 177.084 176.000 -0.065 0.000 0.833 96 Q CA -0.240 55.537 55.803 -0.044 0.000 0.990 96 Q CB 0.366 29.081 28.738 -0.037 0.000 1.132 96 Q HN 0.092 nan 8.270 nan 0.000 0.493 97 M N 0.506 120.060 119.600 -0.076 0.000 2.619 97 M HA 0.133 4.613 4.480 -0.000 0.000 0.251 97 M C 1.675 177.933 176.300 -0.070 0.000 1.106 97 M CA 0.624 55.861 55.300 -0.105 0.000 1.086 97 M CB -0.353 32.183 32.600 -0.106 0.000 1.465 97 M HN 0.392 nan 8.290 nan 0.000 0.506 98 A N 0.121 122.914 122.820 -0.045 0.000 2.167 98 A HA -0.057 4.263 4.320 -0.000 0.000 0.214 98 A C 0.605 178.174 177.584 -0.026 0.000 1.151 98 A CA 1.186 53.206 52.037 -0.028 0.000 0.735 98 A CB -0.394 18.595 19.000 -0.019 0.000 0.802 98 A HN 0.434 nan 8.150 nan 0.000 0.467 99 D N -1.286 119.093 120.400 -0.035 0.000 2.599 99 D HA 0.221 4.861 4.640 -0.000 0.000 0.249 99 D C -0.055 176.218 176.300 -0.044 0.000 1.313 99 D CA -0.343 53.643 54.000 -0.023 0.000 0.815 99 D CB 0.311 41.109 40.800 -0.004 0.000 1.077 99 D HN 0.426 nan 8.370 nan 0.000 0.492 100 I N 1.560 122.075 120.570 -0.093 0.000 2.587 100 I HA -0.065 4.105 4.170 -0.000 0.000 0.284 100 I C 0.214 176.234 176.117 -0.163 0.000 1.134 100 I CA 0.562 61.761 61.300 -0.168 0.000 1.410 100 I CB 0.053 37.900 38.000 -0.256 0.000 1.392 100 I HN 0.157 nan 8.210 nan 0.000 0.545 101 K N 3.159 123.398 120.400 -0.268 0.000 3.553 101 K HA -0.179 4.141 4.320 -0.000 0.000 0.303 101 K C -0.309 176.267 176.600 -0.041 0.000 1.327 101 K CA 0.932 57.066 56.287 -0.255 0.000 0.983 101 K CB -1.058 31.336 32.500 -0.177 0.000 1.275 101 K HN 0.615 nan 8.250 nan 0.000 0.453 102 K N 1.663 122.075 120.400 0.021 0.000 2.098 102 K HA 0.211 4.531 4.320 -0.000 0.000 0.258 102 K C 0.020 176.721 176.600 0.169 0.000 0.973 102 K CA -0.582 55.752 56.287 0.077 0.000 0.898 102 K CB 1.246 33.766 32.500 0.032 0.000 1.057 102 K HN 0.109 nan 8.250 nan 0.000 0.447 103 E N 0.247 120.507 120.200 0.100 0.000 2.502 103 E HA -0.073 4.277 4.350 -0.000 0.000 0.261 103 E C 0.582 177.192 176.600 0.016 0.000 0.974 103 E CA 1.062 57.483 56.400 0.035 0.000 0.936 103 E CB 0.139 29.840 29.700 0.001 0.000 0.926 103 E HN 0.751 nan 8.360 nan 0.000 0.459 104 G N 2.593 111.370 108.800 -0.040 0.000 2.166 104 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 104 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 104 G C 0.340 175.253 174.900 0.022 0.000 0.986 104 G CA 0.312 45.398 45.100 -0.024 0.000 0.683 104 G HN 0.874 nan 8.290 nan 0.000 0.527 105 G N -1.295 107.560 108.800 0.092 0.000 3.209 105 G HA2 0.680 4.640 3.960 -0.000 0.000 0.236 105 G HA3 0.680 4.640 3.960 -0.000 0.000 0.236 105 G C 0.249 175.243 174.900 0.157 0.000 1.329 105 G CA -0.883 44.272 45.100 0.092 0.000 1.015 105 G HN 0.547 nan 8.290 nan 0.000 0.571 106 I N 1.102 121.702 120.570 0.051 0.000 2.932 106 I HA -0.022 4.148 4.170 -0.000 0.000 0.295 106 I C 1.342 177.393 176.117 -0.110 0.000 1.227 106 I CA 0.339 61.635 61.300 -0.006 0.000 1.429 106 I CB 1.086 39.033 38.000 -0.089 0.000 1.339 106 I HN 0.405 nan 8.210 nan 0.000 0.589 107 S N 4.009 119.629 115.700 -0.133 0.000 2.593 107 S HA 0.195 4.664 4.470 -0.000 0.000 0.269 107 S C 1.305 175.617 174.600 -0.480 0.000 1.334 107 S CA -0.057 57.871 58.200 -0.454 0.000 1.015 107 S CB 1.440 64.587 63.200 -0.089 0.000 0.912 107 S HN 0.801 nan 8.310 nan 0.000 0.541 108 G N 1.838 110.210 108.800 -0.713 0.000 2.432 108 G HA2 0.069 4.029 3.960 -0.000 0.000 0.219 108 G HA3 0.069 4.029 3.960 -0.000 0.000 0.219 108 G C 0.129 174.626 174.900 -0.672 0.000 1.135 108 G CA 0.560 45.185 45.100 -0.792 0.000 0.767 108 G HN 0.603 nan 8.290 nan 0.000 0.550 109 F N -1.470 118.501 119.950 0.035 0.000 2.639 109 F HA 0.447 4.974 4.527 -0.000 0.000 0.339 109 F C 0.452 176.291 175.800 0.065 0.000 1.071 109 F CA -1.225 56.821 58.000 0.075 0.000 0.994 109 F CB 0.672 39.736 39.000 0.107 0.000 1.341 109 F HN -0.400 nan 8.300 nan 0.000 0.498 110 T N 1.911 116.641 114.554 0.294 0.000 2.734 110 T HA 0.016 4.366 4.350 -0.000 0.000 0.269 110 T C -0.246 174.573 174.700 0.197 0.000 0.964 110 T CA 0.365 62.591 62.100 0.210 0.000 1.226 110 T CB -0.655 68.331 68.868 0.197 0.000 0.910 110 T HN 0.375 nan 8.240 nan 0.000 0.534 111 K N 3.669 124.169 120.400 0.166 0.000 2.323 111 K HA 0.384 4.704 4.320 -0.000 0.000 0.259 111 K C 1.002 177.666 176.600 0.107 0.000 0.947 111 K CA -0.724 55.645 56.287 0.137 0.000 0.819 111 K CB 1.167 33.752 32.500 0.142 0.000 1.109 111 K HN 0.198 nan 8.250 nan 0.000 0.429 112 V N 2.547 122.509 119.914 0.080 0.000 2.324 112 V HA -0.269 3.851 4.120 -0.000 0.000 0.250 112 V C 1.719 177.841 176.094 0.047 0.000 1.060 112 V CA 2.275 64.609 62.300 0.056 0.000 1.042 112 V CB -0.244 31.599 31.823 0.034 0.000 0.650 112 V HN 0.858 nan 8.190 nan 0.000 0.450 113 S N -1.084 114.646 115.700 0.050 0.000 2.419 113 S HA -0.240 4.230 4.470 -0.000 0.000 0.233 113 S C 1.911 176.537 174.600 0.044 0.000 1.016 113 S CA 1.644 59.870 58.200 0.043 0.000 0.974 113 S CB -0.185 63.044 63.200 0.049 0.000 0.786 113 S HN 0.724 nan 8.310 nan 0.000 0.492 114 E N 0.359 120.596 120.200 0.061 0.000 2.060 114 E HA 0.072 4.422 4.350 -0.000 0.000 0.189 114 E C 0.535 177.167 176.600 0.052 0.000 0.974 114 E CA 0.453 56.889 56.400 0.060 0.000 0.808 114 E CB 0.331 30.077 29.700 0.076 0.000 0.768 114 E HN 0.296 nan 8.360 nan 0.000 0.453 115 S N -1.170 114.569 115.700 0.064 0.000 2.535 115 S HA 0.034 4.504 4.470 -0.000 0.000 0.272 115 S C 0.020 174.626 174.600 0.011 0.000 1.149 115 S CA -0.529 57.704 58.200 0.055 0.000 0.888 115 S CB 1.289 64.573 63.200 0.141 0.000 1.110 115 S HN 0.308 nan 8.310 nan 0.000 0.463 116 E N 1.928 122.050 120.200 -0.130 0.000 2.396 116 E HA -0.192 4.158 4.350 -0.000 0.000 0.200 116 E C 0.517 176.994 176.600 -0.205 0.000 1.023 116 E CA 1.570 57.843 56.400 -0.212 0.000 0.857 116 E CB -0.522 28.995 29.700 -0.306 0.000 0.775 116 E HN 0.848 nan 8.360 nan 0.000 0.525 117 H N 0.036 119.187 119.070 0.135 0.000 2.553 117 H HA 0.163 4.719 4.556 -0.000 0.000 0.265 117 H C -0.280 175.242 175.328 0.323 0.000 0.964 117 H CA 0.114 56.314 56.048 0.252 0.000 1.156 117 H CB 0.361 30.296 29.762 0.289 0.000 1.411 117 H HN 0.051 nan 8.280 nan 0.000 0.558 118 D N 0.713 121.300 120.400 0.313 0.000 2.456 118 D HA 0.221 4.861 4.640 -0.000 0.000 0.219 118 D C 0.851 177.232 176.300 0.136 0.000 1.126 118 D CA -0.071 54.074 54.000 0.241 0.000 0.890 118 D CB 1.139 42.070 40.800 0.219 0.000 1.025 118 D HN 0.316 nan 8.370 nan 0.000 0.511 119 A N 3.413 126.302 122.820 0.115 0.000 1.902 119 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 119 A C 1.119 178.731 177.584 0.047 0.000 1.181 119 A CA 0.967 53.041 52.037 0.062 0.000 0.623 119 A CB -0.392 18.634 19.000 0.043 0.000 0.818 119 A HN 0.664 nan 8.150 nan 0.000 0.443 120 I N -5.544 115.063 120.570 0.062 0.000 3.206 120 I HA 0.612 4.782 4.170 -0.000 0.000 0.313 120 I C -0.828 175.328 176.117 0.063 0.000 1.103 120 I CA -0.849 60.479 61.300 0.045 0.000 0.985 120 I CB 1.994 40.012 38.000 0.030 0.000 1.240 120 I HN -0.180 nan 8.210 nan 0.000 0.464 121 T N 2.766 117.343 114.554 0.038 0.000 2.794 121 T HA 0.649 4.999 4.350 -0.000 0.000 0.280 121 T C -0.374 174.342 174.700 0.027 0.000 0.987 121 T CA -0.417 61.713 62.100 0.049 0.000 0.993 121 T CB 1.429 70.305 68.868 0.014 0.000 0.939 121 T HN 0.569 nan 8.240 nan 0.000 0.449 122 V N 0.687 120.637 119.914 0.059 0.000 3.040 122 V HA 1.050 5.169 4.120 -0.000 0.000 0.312 122 V C 0.443 176.415 176.094 -0.203 0.000 1.115 122 V CA -0.503 61.782 62.300 -0.025 0.000 0.998 122 V CB 1.688 33.521 31.823 0.017 0.000 1.042 122 V HN 0.909 nan 8.190 nan 0.000 0.433 123 G N -0.295 108.334 108.800 -0.285 0.000 3.990 123 G HA2 0.163 4.123 3.960 -0.000 0.000 0.204 123 G HA3 0.163 4.123 3.960 -0.000 0.000 0.204 123 G C 0.101 174.964 174.900 -0.061 0.000 1.420 123 G CA -0.286 44.521 45.100 -0.488 0.000 0.942 123 G HN 0.788 nan 8.290 nan 0.000 0.606 124 H N 1.402 120.375 119.070 -0.161 0.000 2.683 124 H HA 0.542 5.098 4.556 -0.000 0.000 0.339 124 H C 0.515 175.761 175.328 -0.136 0.000 1.081 124 H CA -0.092 55.891 56.048 -0.108 0.000 1.432 124 H CB 1.681 31.416 29.762 -0.044 0.000 1.462 124 H HN 0.437 nan 8.280 nan 0.000 0.557 125 A N 1.996 124.762 122.820 -0.090 0.000 2.351 125 A HA 0.288 4.608 4.320 -0.000 0.000 0.257 125 A C 0.817 178.368 177.584 -0.055 0.000 1.087 125 A CA 0.075 52.053 52.037 -0.097 0.000 0.798 125 A CB 0.271 19.169 19.000 -0.169 0.000 1.033 125 A HN 0.921 nan 8.150 nan 0.000 0.488 126 S N -0.995 114.682 115.700 -0.038 0.000 3.244 126 S HA -0.217 4.253 4.470 -0.000 0.000 0.279 126 S C 1.046 175.632 174.600 -0.023 0.000 1.293 126 S CA 1.463 59.644 58.200 -0.031 0.000 0.990 126 S CB -2.476 60.700 63.200 -0.039 0.000 1.202 126 S HN 1.827 nan 8.310 nan 0.000 0.666 127 T N -0.284 114.260 114.554 -0.017 0.000 3.009 127 T HA 0.010 4.360 4.350 -0.000 0.000 0.258 127 T C 2.090 176.776 174.700 -0.024 0.000 1.063 127 T CA 1.250 63.338 62.100 -0.019 0.000 1.139 127 T CB -0.561 68.295 68.868 -0.019 0.000 0.890 127 T HN 0.798 nan 8.240 nan 0.000 0.471 128 S N 3.316 119.002 115.700 -0.023 0.000 2.378 128 S HA -0.196 4.274 4.470 -0.000 0.000 0.229 128 S C 2.022 176.593 174.600 -0.048 0.000 1.052 128 S CA 1.793 59.972 58.200 -0.035 0.000 1.084 128 S CB -1.327 61.847 63.200 -0.043 0.000 0.950 128 S HN 0.565 nan 8.310 nan 0.000 0.440 129 L N 1.249 122.440 121.223 -0.052 0.000 2.056 129 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 129 L C 3.264 180.103 176.870 -0.052 0.000 1.078 129 L CA 1.721 56.524 54.840 -0.061 0.000 0.749 129 L CB -1.393 40.626 42.059 -0.066 0.000 0.901 129 L HN 0.538 nan 8.230 nan 0.000 0.433 130 T N -1.021 113.508 114.554 -0.041 0.000 2.821 130 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 130 T C 1.617 176.297 174.700 -0.032 0.000 1.046 130 T CA 1.839 63.917 62.100 -0.035 0.000 1.139 130 T CB -0.288 68.562 68.868 -0.029 0.000 0.871 130 T HN 0.354 nan 8.240 nan 0.000 0.454 131 N N 0.015 118.697 118.700 -0.029 0.000 2.120 131 N HA -0.030 4.710 4.740 -0.000 0.000 0.188 131 N C 2.255 177.753 175.510 -0.021 0.000 1.024 131 N CA 0.973 54.009 53.050 -0.022 0.000 0.852 131 N CB -0.239 38.237 38.487 -0.018 0.000 1.003 131 N HN 0.517 nan 8.380 nan 0.000 0.424 132 A N 1.240 124.040 122.820 -0.032 0.000 1.933 132 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 132 A C 2.093 179.649 177.584 -0.047 0.000 1.175 132 A CA 0.954 52.969 52.037 -0.037 0.000 0.628 132 A CB -0.700 18.265 19.000 -0.059 0.000 0.814 132 A HN 0.339 nan 8.150 nan 0.000 0.444 133 L N 0.264 121.455 121.223 -0.053 0.000 1.989 133 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 133 L C 2.320 179.162 176.870 -0.047 0.000 1.071 133 L CA 2.691 57.496 54.840 -0.058 0.000 0.749 133 L CB -1.254 40.774 42.059 -0.052 0.000 0.890 133 L HN 0.265 nan 8.230 nan 0.000 0.431 134 G N -0.710 108.071 108.800 -0.031 0.000 2.433 134 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.216 134 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.216 134 G C 1.672 176.569 174.900 -0.005 0.000 1.186 134 G CA 1.010 46.099 45.100 -0.019 0.000 0.779 134 G HN 0.456 nan 8.290 nan 0.000 0.543 135 M N 0.635 120.241 119.600 0.009 0.000 2.195 135 M HA -0.048 4.432 4.480 -0.000 0.000 0.260 135 M C 2.664 179.000 176.300 0.060 0.000 1.066 135 M CA 1.717 57.052 55.300 0.058 0.000 1.089 135 M CB -0.026 32.615 32.600 0.068 0.000 1.377 135 M HN 0.340 nan 8.290 nan 0.000 0.411 136 A N -0.468 122.333 122.820 -0.032 0.000 1.850 136 A HA -0.074 4.246 4.320 -0.000 0.000 0.212 136 A C 1.816 179.324 177.584 -0.128 0.000 1.208 136 A CA 0.785 52.740 52.037 -0.137 0.000 0.609 136 A CB -0.983 17.912 19.000 -0.174 0.000 0.860 136 A HN 0.434 nan 8.150 nan 0.000 0.448 137 L N 0.284 121.456 121.223 -0.085 0.000 2.089 137 L HA -0.190 4.150 4.340 -0.000 0.000 0.213 137 L C 2.440 179.279 176.870 -0.052 0.000 1.079 137 L CA 2.202 57.002 54.840 -0.067 0.000 0.758 137 L CB -0.966 41.064 42.059 -0.048 0.000 0.891 137 L HN 0.396 nan 8.230 nan 0.000 0.433 138 A N -1.199 121.604 122.820 -0.028 0.000 2.238 138 A HA -0.071 4.249 4.320 -0.000 0.000 0.208 138 A C 2.368 179.959 177.584 0.011 0.000 1.177 138 A CA 0.793 52.831 52.037 0.002 0.000 0.804 138 A CB -0.494 18.524 19.000 0.029 0.000 0.823 138 A HN 0.479 nan 8.150 nan 0.000 0.482 139 R N 0.119 120.589 120.500 -0.050 0.000 2.105 139 R HA -0.053 4.287 4.340 -0.000 0.000 0.214 139 R C 0.608 176.841 176.300 -0.113 0.000 1.091 139 R CA 1.348 57.385 56.100 -0.104 0.000 1.007 139 R CB -0.357 29.658 30.300 -0.475 0.000 0.912 139 R HN 0.363 nan 8.270 nan 0.000 0.450 140 D N 1.507 121.832 120.400 -0.124 0.000 2.097 140 D HA -0.106 4.534 4.640 -0.000 0.000 0.195 140 D C 1.854 178.123 176.300 -0.051 0.000 0.989 140 D CA 1.581 55.527 54.000 -0.091 0.000 0.827 140 D CB -0.345 40.402 40.800 -0.088 0.000 0.966 140 D HN 0.333 nan 8.370 nan 0.000 0.456 141 A N 1.173 123.969 122.820 -0.039 0.000 1.865 141 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 141 A C 2.164 179.742 177.584 -0.011 0.000 1.191 141 A CA 1.622 53.646 52.037 -0.021 0.000 0.623 141 A CB -0.809 18.181 19.000 -0.016 0.000 0.826 141 A HN 0.192 nan 8.150 nan 0.000 0.444 142 Q N -2.047 117.752 119.800 -0.001 0.000 2.181 142 Q HA -0.005 4.335 4.340 -0.000 0.000 0.205 142 Q C 1.395 177.401 176.000 0.010 0.000 0.980 142 Q CA 0.974 56.786 55.803 0.015 0.000 0.862 142 Q CB -0.252 28.513 28.738 0.044 0.000 0.905 142 Q HN 1.024 nan 8.270 nan 0.000 0.429 143 G N 0.928 109.723 108.800 -0.007 0.000 2.143 143 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.249 143 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.249 143 G C 0.011 174.911 174.900 0.000 0.000 0.981 143 G CA 0.302 45.396 45.100 -0.011 0.000 0.665 143 G HN 0.182 nan 8.290 nan 0.000 0.528 144 K N -0.130 120.280 120.400 0.017 0.000 2.117 144 K HA 0.467 4.786 4.320 -0.000 0.000 0.240 144 K C -0.852 175.749 176.600 0.001 0.000 1.031 144 K CA -0.316 56.010 56.287 0.065 0.000 0.909 144 K CB 0.523 33.134 32.500 0.184 0.000 1.097 144 K HN 0.093 nan 8.250 nan 0.000 0.492 145 D N 1.145 121.594 120.400 0.082 0.000 2.402 145 D HA 0.319 4.959 4.640 -0.000 0.000 0.252 145 D C -1.503 174.894 176.300 0.160 0.000 1.294 145 D CA -0.335 53.675 54.000 0.016 0.000 0.948 145 D CB 0.179 40.995 40.800 0.026 0.000 1.202 145 D HN 0.371 nan 8.370 nan 0.000 0.561 146 F N 0.549 120.514 119.950 0.025 0.000 3.090 146 F HA 0.616 5.143 4.527 -0.000 0.000 0.324 146 F C -1.384 174.465 175.800 0.081 0.000 1.189 146 F CA -1.171 56.858 58.000 0.048 0.000 0.907 146 F CB 1.180 40.200 39.000 0.034 0.000 1.445 146 F HN 0.138 nan 8.300 nan 0.000 0.500 147 H N -0.357 118.868 119.070 0.258 0.000 2.622 147 H HA 0.792 5.348 4.556 -0.000 0.000 0.363 147 H C -1.620 173.849 175.328 0.235 0.000 1.151 147 H CA -0.816 55.293 56.048 0.101 0.000 1.184 147 H CB 2.209 31.999 29.762 0.047 0.000 1.643 147 H HN 0.626 nan 8.280 nan 0.000 0.531 148 V N 2.970 122.805 119.914 -0.131 0.000 2.370 148 V HA 0.607 4.727 4.120 -0.000 0.000 0.283 148 V C -0.226 175.869 176.094 0.002 0.000 1.023 148 V CA -0.545 61.758 62.300 0.004 0.000 0.857 148 V CB 1.032 32.821 31.823 -0.055 0.000 0.985 148 V HN 0.908 nan 8.190 nan 0.000 0.443 149 A N 4.389 127.229 122.820 0.034 0.000 2.271 149 A HA 0.884 5.204 4.320 -0.000 0.000 0.317 149 A C 0.073 177.580 177.584 -0.129 0.000 1.245 149 A CA -0.346 51.680 52.037 -0.018 0.000 0.857 149 A CB 0.985 19.966 19.000 -0.031 0.000 1.175 149 A HN 1.216 nan 8.150 nan 0.000 0.512 150 A N 2.478 125.215 122.820 -0.138 0.000 2.318 150 A HA 0.657 4.977 4.320 -0.000 0.000 0.317 150 A C -0.767 176.688 177.584 -0.215 0.000 1.159 150 A CA -0.427 51.501 52.037 -0.181 0.000 0.799 150 A CB 1.012 19.936 19.000 -0.127 0.000 1.194 150 A HN 1.001 nan 8.150 nan 0.000 0.479 151 V N 4.142 123.874 119.914 -0.305 0.000 2.378 151 V HA 0.496 4.616 4.120 -0.000 0.000 0.288 151 V C -0.435 175.587 176.094 -0.119 0.000 1.016 151 V CA -0.229 61.919 62.300 -0.252 0.000 0.840 151 V CB 1.105 32.669 31.823 -0.433 0.000 0.994 151 V HN 0.797 nan 8.190 nan 0.000 0.431 152 I N 3.674 124.205 120.570 -0.066 0.000 2.478 152 I HA 0.747 4.917 4.170 -0.000 0.000 0.287 152 I C 0.698 176.814 176.117 -0.003 0.000 1.042 152 I CA -0.264 61.023 61.300 -0.023 0.000 1.067 152 I CB 1.545 39.519 38.000 -0.044 0.000 1.233 152 I HN 0.701 nan 8.210 nan 0.000 0.431 153 G N 4.539 113.360 108.800 0.036 0.000 2.569 153 G HA2 0.063 4.023 3.960 -0.000 0.000 0.249 153 G HA3 0.063 4.023 3.960 -0.000 0.000 0.249 153 G C 0.741 175.655 174.900 0.022 0.000 1.216 153 G CA 0.021 45.146 45.100 0.042 0.000 0.845 153 G HN 0.813 nan 8.290 nan 0.000 0.568 154 D N 0.610 121.024 120.400 0.023 0.000 2.311 154 D HA -0.110 4.529 4.640 -0.000 0.000 0.212 154 D C 2.013 178.325 176.300 0.021 0.000 0.972 154 D CA 1.119 55.132 54.000 0.022 0.000 0.887 154 D CB -0.583 40.239 40.800 0.037 0.000 0.915 154 D HN 0.457 nan 8.370 nan 0.000 0.497 155 G N 0.507 109.320 108.800 0.021 0.000 2.404 155 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.215 155 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.215 155 G C 1.752 176.639 174.900 -0.021 0.000 1.174 155 G CA 0.772 45.873 45.100 0.001 0.000 0.780 155 G HN 0.364 nan 8.290 nan 0.000 0.537 156 S N 0.162 115.853 115.700 -0.016 0.000 2.496 156 S HA 0.039 4.509 4.470 -0.000 0.000 0.224 156 S C 1.985 176.572 174.600 -0.021 0.000 0.996 156 S CA 0.174 58.355 58.200 -0.031 0.000 0.927 156 S CB 0.020 63.207 63.200 -0.022 0.000 0.774 156 S HN 0.209 nan 8.310 nan 0.000 0.524 157 L N 2.153 123.373 121.223 -0.005 0.000 2.191 157 L HA -0.056 4.283 4.340 -0.000 0.000 0.212 157 L C 1.996 178.875 176.870 0.014 0.000 1.103 157 L CA 1.404 56.251 54.840 0.012 0.000 0.769 157 L CB -0.928 41.151 42.059 0.033 0.000 0.908 157 L HN 0.200 nan 8.230 nan 0.000 0.438 158 T N -0.649 113.905 114.554 0.000 0.000 2.962 158 T HA 0.051 4.401 4.350 -0.000 0.000 0.270 158 T C 0.907 175.599 174.700 -0.014 0.000 1.088 158 T CA 0.792 62.890 62.100 -0.004 0.000 1.127 158 T CB -0.523 68.337 68.868 -0.013 0.000 0.883 158 T HN 0.503 nan 8.240 nan 0.000 0.493 159 G N -0.351 108.434 108.800 -0.025 0.000 2.410 159 G HA2 0.506 4.465 3.960 -0.000 0.000 0.330 159 G HA3 0.506 4.465 3.960 -0.000 0.000 0.330 159 G C 1.054 175.944 174.900 -0.017 0.000 1.142 159 G CA -0.311 44.771 45.100 -0.031 0.000 0.902 159 G HN 0.153 nan 8.290 nan 0.000 0.491 160 G N 0.689 109.480 108.800 -0.015 0.000 2.462 160 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 160 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 160 G C 1.557 176.452 174.900 -0.009 0.000 1.121 160 G CA 1.022 46.118 45.100 -0.008 0.000 0.758 160 G HN 0.533 nan 8.290 nan 0.000 0.559 161 M N 0.354 119.946 119.600 -0.014 0.000 2.296 161 M HA 0.151 4.631 4.480 -0.000 0.000 0.265 161 M C 2.669 178.958 176.300 -0.017 0.000 1.064 161 M CA 1.301 56.592 55.300 -0.016 0.000 1.109 161 M CB 0.017 32.607 32.600 -0.017 0.000 1.396 161 M HN 0.309 nan 8.290 nan 0.000 0.430 162 A N 0.488 123.298 122.820 -0.016 0.000 1.835 162 A HA -0.061 4.259 4.320 -0.000 0.000 0.213 162 A C 1.874 179.455 177.584 -0.005 0.000 1.210 162 A CA 1.114 53.141 52.037 -0.016 0.000 0.605 162 A CB -0.942 18.051 19.000 -0.012 0.000 0.860 162 A HN 0.501 nan 8.150 nan 0.000 0.447 163 L N -0.409 120.821 121.223 0.013 0.000 2.042 163 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 163 L C 2.995 179.877 176.870 0.020 0.000 1.076 163 L CA 1.296 56.156 54.840 0.033 0.000 0.749 163 L CB -0.648 41.435 42.059 0.039 0.000 0.893 163 L HN 0.439 nan 8.230 nan 0.000 0.432 164 A N -0.002 122.822 122.820 0.005 0.000 1.897 164 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 164 A C 2.560 180.139 177.584 -0.008 0.000 1.181 164 A CA 1.332 53.369 52.037 -0.001 0.000 0.620 164 A CB -0.670 18.326 19.000 -0.006 0.000 0.821 164 A HN 0.358 nan 8.150 nan 0.000 0.443 165 A N -0.675 122.136 122.820 -0.015 0.000 1.978 165 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 165 A C 2.037 179.601 177.584 -0.033 0.000 1.170 165 A CA 1.682 53.703 52.037 -0.026 0.000 0.636 165 A CB -0.501 18.481 19.000 -0.031 0.000 0.810 165 A HN 0.463 nan 8.150 nan 0.000 0.448 166 L N 0.200 121.406 121.223 -0.029 0.000 2.093 166 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 166 L C 2.032 178.890 176.870 -0.021 0.000 1.085 166 L CA 2.204 57.020 54.840 -0.041 0.000 0.755 166 L CB -0.853 41.192 42.059 -0.024 0.000 0.904 166 L HN 0.534 nan 8.230 nan 0.000 0.435 167 N N -1.611 117.089 118.700 -0.000 0.000 2.171 167 N HA -0.150 4.590 4.740 -0.000 0.000 0.184 167 N C 1.531 177.038 175.510 -0.006 0.000 1.021 167 N CA 1.778 54.832 53.050 0.007 0.000 0.854 167 N CB 0.022 38.517 38.487 0.012 0.000 0.994 167 N HN 0.358 nan 8.380 nan 0.000 0.426 168 T N -0.202 114.343 114.554 -0.014 0.000 3.023 168 T HA 0.081 4.431 4.350 -0.000 0.000 0.266 168 T C 1.929 176.613 174.700 -0.027 0.000 1.093 168 T CA 0.416 62.504 62.100 -0.019 0.000 1.129 168 T CB -0.066 68.790 68.868 -0.021 0.000 0.899 168 T HN 0.185 nan 8.240 nan 0.000 0.491 169 I N 1.691 122.240 120.570 -0.036 0.000 2.286 169 I HA -0.082 4.088 4.170 -0.000 0.000 0.248 169 I C 2.820 178.914 176.117 -0.039 0.000 1.115 169 I CA 1.148 62.419 61.300 -0.047 0.000 1.392 169 I CB -0.477 37.484 38.000 -0.065 0.000 1.065 169 I HN 0.340 nan 8.210 nan 0.000 0.418 170 G N -0.218 108.566 108.800 -0.027 0.000 2.408 170 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 170 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 170 G C 1.277 176.170 174.900 -0.011 0.000 1.150 170 G CA 0.911 46.002 45.100 -0.014 0.000 0.776 170 G HN 0.288 nan 8.290 nan 0.000 0.542 171 D N -0.687 119.706 120.400 -0.012 0.000 2.269 171 D HA 0.007 4.647 4.640 -0.000 0.000 0.208 171 D C 2.484 178.774 176.300 -0.016 0.000 0.963 171 D CA 0.615 54.608 54.000 -0.011 0.000 0.864 171 D CB 0.111 40.905 40.800 -0.010 0.000 0.936 171 D HN 0.196 nan 8.370 nan 0.000 0.505 172 M N -1.264 118.322 119.600 -0.023 0.000 2.718 172 M HA 0.261 4.741 4.480 -0.000 0.000 0.259 172 M C 1.190 177.471 176.300 -0.032 0.000 1.240 172 M CA 0.797 56.080 55.300 -0.029 0.000 1.210 172 M CB -0.935 31.644 32.600 -0.036 0.000 1.281 172 M HN -0.006 nan 8.290 nan 0.000 0.515 173 G N 3.210 111.988 108.800 -0.036 0.000 2.487 173 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.243 173 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.243 173 G C -0.592 174.281 174.900 -0.045 0.000 0.918 173 G CA 0.039 45.117 45.100 -0.036 0.000 1.260 173 G HN 0.394 nan 8.290 nan 0.000 0.408 174 R N 0.215 120.677 120.500 -0.064 0.000 2.869 174 R HA 0.589 4.929 4.340 -0.000 0.000 0.263 174 R C 0.221 176.457 176.300 -0.107 0.000 1.066 174 R CA -1.117 54.932 56.100 -0.085 0.000 0.960 174 R CB 0.799 31.033 30.300 -0.110 0.000 1.221 174 R HN 0.339 nan 8.270 nan 0.000 0.474 175 K N 1.656 121.979 120.400 -0.130 0.000 2.255 175 K HA 0.017 4.337 4.320 -0.000 0.000 0.269 175 K C -0.547 175.754 176.600 -0.498 0.000 1.158 175 K CA 1.127 57.315 56.287 -0.165 0.000 1.155 175 K CB -0.203 32.213 32.500 -0.140 0.000 0.889 175 K HN 0.332 nan 8.250 nan 0.000 0.440 176 M N 3.683 123.099 119.600 -0.306 0.000 2.284 176 M HA 0.182 4.662 4.480 -0.000 0.000 0.281 176 M C -1.445 174.882 176.300 0.045 0.000 1.083 176 M CA -0.879 54.256 55.300 -0.275 0.000 0.965 176 M CB 1.806 34.303 32.600 -0.171 0.000 1.717 176 M HN 0.269 nan 8.290 nan 0.000 0.479 177 L N 5.225 126.533 121.223 0.142 0.000 2.287 177 L HA 0.598 4.938 4.340 -0.000 0.000 0.280 177 L C -1.271 175.591 176.870 -0.012 0.000 1.055 177 L CA 0.028 54.943 54.840 0.125 0.000 0.863 177 L CB 0.340 42.498 42.059 0.165 0.000 1.245 177 L HN 0.629 nan 8.230 nan 0.000 0.432 178 I N 5.273 125.807 120.570 -0.060 0.000 2.342 178 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 178 I C -0.560 175.492 176.117 -0.108 0.000 1.010 178 I CA -0.590 60.647 61.300 -0.105 0.000 1.308 178 I CB 1.430 39.344 38.000 -0.143 0.000 1.400 178 I HN 0.247 nan 8.210 nan 0.000 0.488 179 V N 7.249 127.097 119.914 -0.109 0.000 2.448 179 V HA 0.302 4.422 4.120 -0.000 0.000 0.295 179 V C -0.297 175.739 176.094 -0.097 0.000 1.025 179 V CA -0.742 61.501 62.300 -0.094 0.000 0.859 179 V CB 1.750 33.526 31.823 -0.079 0.000 0.988 179 V HN 0.420 nan 8.190 nan 0.000 0.431 180 L N 4.669 125.827 121.223 -0.108 0.000 2.282 180 L HA 0.420 4.760 4.340 -0.000 0.000 0.287 180 L C 0.322 177.151 176.870 -0.069 0.000 1.075 180 L CA 0.296 55.061 54.840 -0.126 0.000 0.839 180 L CB 0.308 42.210 42.059 -0.261 0.000 1.219 180 L HN 0.764 nan 8.230 nan 0.000 0.434 181 N N 2.762 121.445 118.700 -0.029 0.000 2.405 181 N HA 0.062 4.802 4.740 -0.000 0.000 0.260 181 N C -1.063 174.458 175.510 0.018 0.000 1.152 181 N CA -0.112 52.942 53.050 0.007 0.000 0.948 181 N CB 0.361 38.866 38.487 0.031 0.000 1.111 181 N HN 0.527 nan 8.380 nan 0.000 0.485 182 D N 2.379 122.803 120.400 0.041 0.000 2.462 182 D HA 0.176 4.816 4.640 -0.000 0.000 0.245 182 D C -0.629 175.702 176.300 0.051 0.000 1.122 182 D CA -0.729 53.313 54.000 0.070 0.000 0.864 182 D CB 0.481 41.383 40.800 0.169 0.000 1.098 182 D HN 0.618 nan 8.370 nan 0.000 0.541 183 N N 2.952 121.680 118.700 0.047 0.000 2.327 183 N HA 0.126 4.866 4.740 -0.000 0.000 0.231 183 N C 0.523 176.065 175.510 0.054 0.000 1.130 183 N CA -0.279 52.798 53.050 0.044 0.000 0.845 183 N CB 0.592 39.109 38.487 0.050 0.000 1.073 183 N HN 0.369 nan 8.380 nan 0.000 0.496 184 E N -0.980 119.258 120.200 0.063 0.000 3.912 184 E HA -0.241 4.108 4.350 -0.000 0.000 0.335 184 E C -0.382 176.253 176.600 0.058 0.000 0.654 184 E CA 1.672 58.110 56.400 0.063 0.000 1.177 184 E CB -0.734 28.998 29.700 0.053 0.000 1.650 184 E HN 0.635 nan 8.360 nan 0.000 0.430 185 M N -0.468 119.167 119.600 0.057 0.000 2.342 185 M HA 0.303 4.782 4.480 -0.000 0.000 0.276 185 M C -0.557 175.778 176.300 0.060 0.000 1.054 185 M CA 0.246 55.579 55.300 0.056 0.000 0.930 185 M CB 0.795 33.427 32.600 0.054 0.000 1.929 185 M HN 0.089 nan 8.290 nan 0.000 0.492 186 S N 3.621 119.355 115.700 0.056 0.000 2.546 186 S HA 0.517 4.987 4.470 -0.000 0.000 0.265 186 S C 1.715 176.353 174.600 0.063 0.000 1.190 186 S CA 0.112 58.349 58.200 0.061 0.000 1.014 186 S CB 0.057 63.280 63.200 0.039 0.000 1.087 186 S HN 1.078 nan 8.310 nan 0.000 0.525 187 I N -0.508 120.098 120.570 0.061 0.000 2.267 187 I HA -0.275 3.895 4.170 -0.000 0.000 0.239 187 I C 2.186 178.345 176.117 0.069 0.000 0.984 187 I CA 2.544 63.884 61.300 0.067 0.000 1.272 187 I CB -1.503 36.524 38.000 0.045 0.000 0.976 187 I HN 0.649 nan 8.210 nan 0.000 0.407 188 S N -1.207 114.533 115.700 0.066 0.000 2.755 188 S HA 0.328 4.798 4.470 -0.000 0.000 0.165 188 S C 0.862 175.503 174.600 0.069 0.000 0.723 188 S CA 0.524 58.770 58.200 0.076 0.000 0.867 188 S CB -0.031 63.229 63.200 0.100 0.000 0.740 188 S HN 0.642 nan 8.310 nan 0.000 0.568 189 E N 0.278 120.521 120.200 0.071 0.000 3.877 189 E HA 0.459 4.808 4.350 -0.000 0.000 0.125 189 E C -0.609 176.024 176.600 0.056 0.000 1.063 189 E CA -0.661 55.777 56.400 0.063 0.000 0.802 189 E CB 0.164 29.904 29.700 0.066 0.000 1.933 189 E HN 0.357 nan 8.360 nan 0.000 0.413 246 N N 4.021 122.565 118.700 -0.260 0.000 2.699 246 N HA 0.341 5.081 4.740 -0.000 0.000 0.271 246 N C -2.451 172.836 175.510 -0.372 0.000 1.216 246 N CA -1.050 51.767 53.050 -0.389 0.000 0.844 246 N CB 3.027 41.444 38.487 -0.116 0.000 1.462 246 N HN 0.516 nan 8.380 nan 0.000 0.555 247 P HA 0.114 nan 4.420 nan 0.000 0.247 247 P C -0.319 176.500 177.300 -0.801 0.000 1.225 247 P CA 0.463 63.163 63.100 -0.667 0.000 0.768 247 P CB -0.230 30.981 31.700 -0.815 0.000 1.020 248 F N -1.600 118.302 119.950 -0.080 0.000 2.772 248 F HA 0.444 4.971 4.527 -0.000 0.000 0.316 248 F C 2.118 177.914 175.800 -0.006 0.000 1.114 248 F CA -0.372 57.621 58.000 -0.011 0.000 1.191 248 F CB -0.709 38.320 39.000 0.048 0.000 1.065 248 F HN -0.157 nan 8.300 nan 0.000 0.534 249 A N 0.852 123.720 122.820 0.081 0.000 1.903 249 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 249 A C 1.892 179.510 177.584 0.056 0.000 1.191 249 A CA 1.859 53.930 52.037 0.057 0.000 0.638 249 A CB -0.894 18.108 19.000 0.003 0.000 0.823 249 A HN 0.256 nan 8.150 nan 0.000 0.451 250 A N -1.676 121.169 122.820 0.042 0.000 3.215 250 A HA 0.662 4.982 4.320 -0.000 0.000 0.269 250 A C 0.588 178.212 177.584 0.067 0.000 1.517 250 A CA -0.197 51.864 52.037 0.040 0.000 1.221 250 A CB -0.260 18.750 19.000 0.017 0.000 1.160 250 A HN 0.391 nan 8.150 nan 0.000 0.620 251 M N -0.631 119.029 119.600 0.100 0.000 2.204 251 M HA 0.161 4.641 4.480 -0.000 0.000 0.407 251 M C 1.175 177.517 176.300 0.069 0.000 0.920 251 M CA 0.972 56.337 55.300 0.107 0.000 1.037 251 M CB 0.721 33.443 32.600 0.203 0.000 2.010 251 M HN 1.064 nan 8.290 nan 0.000 0.674 252 G N 1.557 110.395 108.800 0.064 0.000 2.184 252 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.264 252 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.264 252 G C -0.004 174.918 174.900 0.037 0.000 0.975 252 G CA 0.470 45.594 45.100 0.040 0.000 0.642 252 G HN 0.337 nan 8.290 nan 0.000 0.536 253 V N 1.083 121.029 119.914 0.053 0.000 2.483 253 V HA 0.551 4.671 4.120 -0.000 0.000 0.295 253 V C 0.973 177.116 176.094 0.082 0.000 1.035 253 V CA -1.020 61.295 62.300 0.026 0.000 0.896 253 V CB 1.777 33.562 31.823 -0.063 0.000 0.986 253 V HN 0.447 nan 8.190 nan 0.000 0.447 254 R N 2.752 123.290 120.500 0.063 0.000 2.442 254 R HA 0.173 4.513 4.340 -0.000 0.000 0.291 254 R C -1.427 174.963 176.300 0.149 0.000 1.069 254 R CA -0.193 55.969 56.100 0.102 0.000 1.022 254 R CB 0.327 30.663 30.300 0.059 0.000 0.976 254 R HN 0.755 nan 8.270 nan 0.000 0.443 255 Y N 4.277 124.630 120.300 0.088 0.000 2.331 255 Y HA 0.358 4.908 4.550 -0.000 0.000 0.338 255 Y C -1.087 174.874 175.900 0.102 0.000 0.992 255 Y CA -0.557 57.621 58.100 0.130 0.000 1.121 255 Y CB 1.385 39.973 38.460 0.212 0.000 1.184 255 Y HN 0.254 nan 8.280 nan 0.000 0.469 256 V N 6.686 126.370 119.914 -0.383 0.000 2.409 256 V HA 0.860 4.980 4.120 -0.000 0.000 0.290 256 V C 0.132 175.958 176.094 -0.445 0.000 1.017 256 V CA 0.187 62.331 62.300 -0.261 0.000 0.841 256 V CB 0.622 32.378 31.823 -0.112 0.000 1.003 256 V HN 1.134 nan 8.190 nan 0.000 0.426 257 G N 6.399 115.043 108.800 -0.261 0.000 2.278 257 G HA2 0.166 4.126 3.960 -0.000 0.000 0.265 257 G HA3 0.166 4.126 3.960 -0.000 0.000 0.265 257 G C -3.173 171.786 174.900 0.097 0.000 1.329 257 G CA -0.457 44.558 45.100 -0.140 0.000 1.017 257 G HN 0.510 nan 8.290 nan 0.000 0.472 258 P HA 0.485 nan 4.420 nan 0.000 0.234 258 P C 0.355 177.562 177.300 -0.154 0.000 1.799 258 P CA -0.339 62.643 63.100 -0.197 0.000 1.118 258 P CB 0.450 31.807 31.700 -0.571 0.000 1.827 259 V N -0.125 119.741 119.914 -0.079 0.000 3.385 259 V HA 0.230 4.350 4.120 -0.000 0.000 0.301 259 V C 0.982 177.049 176.094 -0.045 0.000 1.082 259 V CA -0.876 61.390 62.300 -0.056 0.000 1.085 259 V CB 0.492 32.288 31.823 -0.044 0.000 1.152 259 V HN 0.370 nan 8.190 nan 0.000 0.465 260 D N 0.776 121.153 120.400 -0.038 0.000 2.474 260 D HA 0.079 4.719 4.640 -0.000 0.000 0.232 260 D C 0.678 176.964 176.300 -0.024 0.000 1.177 260 D CA 1.138 55.121 54.000 -0.028 0.000 0.876 260 D CB 1.216 42.007 40.800 -0.015 0.000 1.208 260 D HN 0.941 nan 8.370 nan 0.000 0.464 261 G N 1.311 110.079 108.800 -0.054 0.000 4.424 261 G HA2 0.031 3.991 3.960 -0.000 0.000 0.287 261 G HA3 0.031 3.991 3.960 -0.000 0.000 0.287 261 G C 0.363 175.208 174.900 -0.092 0.000 1.023 261 G CA -0.237 44.818 45.100 -0.075 0.000 0.790 261 G HN 0.513 nan 8.290 nan 0.000 0.468 262 H N -0.038 119.046 119.070 0.022 0.000 3.360 262 H HA 0.200 4.756 4.556 -0.000 0.000 0.262 262 H C 0.319 175.655 175.328 0.014 0.000 1.149 262 H CA -0.357 55.702 56.048 0.020 0.000 1.181 262 H CB 0.850 30.621 29.762 0.016 0.000 1.564 262 H HN 0.461 nan 8.280 nan 0.000 0.565 263 N N 1.496 120.271 118.700 0.126 0.000 2.457 263 N HA 0.070 4.810 4.740 -0.000 0.000 0.250 263 N C 0.815 176.360 175.510 0.059 0.000 0.982 263 N CA -0.050 53.041 53.050 0.067 0.000 0.941 263 N CB 1.793 40.302 38.487 0.036 0.000 1.120 263 N HN -0.211 nan 8.380 nan 0.000 0.505 264 V N 3.459 123.403 119.914 0.050 0.000 2.515 264 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 264 V C 2.279 178.401 176.094 0.047 0.000 1.058 264 V CA 1.502 63.829 62.300 0.046 0.000 1.064 264 V CB -0.587 31.246 31.823 0.017 0.000 0.675 264 V HN 0.723 nan 8.190 nan 0.000 0.461 265 Q N -0.374 119.452 119.800 0.044 0.000 2.212 265 Q HA -0.072 4.268 4.340 -0.000 0.000 0.199 265 Q C 2.284 178.373 176.000 0.148 0.000 0.950 265 Q CA 0.720 56.570 55.803 0.078 0.000 0.863 265 Q CB -0.059 28.714 28.738 0.059 0.000 0.944 265 Q HN 0.619 nan 8.270 nan 0.000 0.465 266 E N 1.116 121.368 120.200 0.087 0.000 2.274 266 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 266 E C 1.852 178.534 176.600 0.136 0.000 0.996 266 E CA 0.392 56.826 56.400 0.058 0.000 0.840 266 E CB 0.190 29.855 29.700 -0.059 0.000 0.772 266 E HN 0.348 nan 8.360 nan 0.000 0.491 267 L N -0.037 121.256 121.223 0.117 0.000 2.156 267 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 267 L C 2.452 179.414 176.870 0.154 0.000 1.095 267 L CA 0.391 55.301 54.840 0.117 0.000 0.770 267 L CB -0.096 42.016 42.059 0.088 0.000 0.914 267 L HN 0.005 nan 8.230 nan 0.000 0.439 268 V N -1.400 118.624 119.914 0.184 0.000 2.358 268 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 268 V C 2.094 178.310 176.094 0.205 0.000 1.047 268 V CA 1.676 64.100 62.300 0.207 0.000 1.035 268 V CB -0.589 31.387 31.823 0.255 0.000 0.658 268 V HN 0.537 nan 8.190 nan 0.000 0.452 269 W N 0.274 121.604 121.300 0.050 0.000 2.290 269 W HA -0.275 4.385 4.660 -0.000 0.000 0.323 269 W C 2.274 178.802 176.519 0.014 0.000 1.260 269 W CA 2.189 59.553 57.345 0.031 0.000 1.266 269 W CB -0.255 29.218 29.460 0.022 0.000 1.149 269 W HN 0.157 nan 8.180 nan 0.000 0.482 270 L N -0.970 120.447 121.223 0.325 0.000 2.095 270 L HA -0.167 4.173 4.340 -0.000 0.000 0.204 270 L C 2.356 179.270 176.870 0.074 0.000 1.080 270 L CA 0.812 55.770 54.840 0.198 0.000 0.759 270 L CB -0.907 41.245 42.059 0.155 0.000 0.914 270 L HN -0.017 nan 8.230 nan 0.000 0.439 271 L N -0.521 120.736 121.223 0.057 0.000 2.141 271 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 271 L C 2.318 179.163 176.870 -0.041 0.000 1.094 271 L CA 1.205 56.045 54.840 0.000 0.000 0.763 271 L CB -0.463 41.606 42.059 0.016 0.000 0.908 271 L HN 0.317 nan 8.230 nan 0.000 0.437 272 E N -0.125 120.056 120.200 -0.031 0.000 2.274 272 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 272 E C 2.068 178.602 176.600 -0.109 0.000 0.996 272 E CA 0.573 56.925 56.400 -0.079 0.000 0.840 272 E CB 0.177 29.825 29.700 -0.086 0.000 0.772 272 E HN 0.390 nan 8.360 nan 0.000 0.491 273 R N -0.451 119.993 120.500 -0.093 0.000 2.282 273 R HA 0.182 4.522 4.340 -0.000 0.000 0.195 273 R C 1.956 178.220 176.300 -0.059 0.000 0.909 273 R CA -0.030 56.014 56.100 -0.093 0.000 1.039 273 R CB 0.427 30.666 30.300 -0.102 0.000 1.015 273 R HN 0.089 nan 8.270 nan 0.000 0.513 274 L N -0.636 120.553 121.223 -0.057 0.000 2.121 274 L HA -0.015 4.325 4.340 -0.000 0.000 0.200 274 L C 1.977 178.774 176.870 -0.122 0.000 1.077 274 L CA 0.556 55.360 54.840 -0.061 0.000 0.766 274 L CB -0.194 41.840 42.059 -0.041 0.000 0.931 274 L HN -0.054 nan 8.230 nan 0.000 0.452 275 V N 0.224 120.010 119.914 -0.214 0.000 2.527 275 V HA -0.361 3.758 4.120 -0.000 0.000 0.255 275 V C 2.024 177.907 176.094 -0.352 0.000 1.081 275 V CA 1.879 63.891 62.300 -0.480 0.000 1.092 275 V CB -0.544 30.934 31.823 -0.575 0.000 0.673 275 V HN 0.477 nan 8.190 nan 0.000 0.470 276 D N -0.232 120.064 120.400 -0.174 0.000 2.178 276 D HA -0.015 4.625 4.640 -0.000 0.000 0.202 276 D C 0.915 177.189 176.300 -0.043 0.000 0.974 276 D CA 0.452 54.398 54.000 -0.091 0.000 0.841 276 D CB -0.055 40.701 40.800 -0.073 0.000 0.953 276 D HN 0.348 nan 8.370 nan 0.000 0.478 277 L N 2.111 123.311 121.223 -0.039 0.000 2.499 277 L HA 0.015 4.355 4.340 -0.000 0.000 0.273 277 L C 0.484 177.365 176.870 0.019 0.000 1.195 277 L CA -0.262 54.573 54.840 -0.008 0.000 0.882 277 L CB 0.350 42.406 42.059 -0.005 0.000 1.133 277 L HN -0.201 nan 8.230 nan 0.000 0.483 278 D N 2.202 122.611 120.400 0.014 0.000 2.362 278 D HA 0.452 5.092 4.640 -0.000 0.000 0.242 278 D C 0.638 176.947 176.300 0.014 0.000 1.132 278 D CA 0.906 54.914 54.000 0.014 0.000 0.907 278 D CB 1.292 42.093 40.800 0.002 0.000 1.195 278 D HN 0.786 nan 8.370 nan 0.000 0.429 279 G N 1.303 110.106 108.800 0.004 0.000 2.757 279 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.638 279 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.638 279 G C -2.860 172.038 174.900 -0.002 0.000 1.344 279 G CA -1.014 44.083 45.100 -0.005 0.000 0.855 279 G HN 0.464 nan 8.290 nan 0.000 0.537 280 P HA 0.502 nan 4.420 nan 0.000 0.284 280 P C -0.513 176.775 177.300 -0.020 0.000 1.253 280 P CA 0.044 63.125 63.100 -0.031 0.000 0.800 280 P CB 1.573 33.240 31.700 -0.055 0.000 0.961 281 T N 3.584 118.124 114.554 -0.022 0.000 2.879 281 T HA 0.500 4.850 4.350 -0.000 0.000 0.290 281 T C 0.084 174.739 174.700 -0.074 0.000 0.993 281 T CA -0.298 61.785 62.100 -0.027 0.000 0.975 281 T CB 0.519 69.388 68.868 0.001 0.000 0.981 281 T HN 0.209 nan 8.240 nan 0.000 0.439 282 I N 3.669 124.174 120.570 -0.107 0.000 2.321 282 I HA 0.380 4.550 4.170 -0.000 0.000 0.291 282 I C -0.541 175.473 176.117 -0.172 0.000 0.998 282 I CA -0.882 60.321 61.300 -0.162 0.000 1.227 282 I CB 1.296 39.147 38.000 -0.248 0.000 1.368 282 I HN 0.336 nan 8.210 nan 0.000 0.466 283 L N 7.617 128.758 121.223 -0.137 0.000 2.265 283 L HA 0.364 4.704 4.340 -0.000 0.000 0.289 283 L C -0.405 176.413 176.870 -0.087 0.000 1.033 283 L CA 0.000 54.766 54.840 -0.124 0.000 0.814 283 L CB 0.529 42.549 42.059 -0.065 0.000 1.203 283 L HN 0.496 nan 8.230 nan 0.000 0.423 284 H N 5.606 124.541 119.070 -0.225 0.000 2.668 284 H HA 0.576 5.132 4.556 -0.000 0.000 0.303 284 H C -0.416 174.871 175.328 -0.068 0.000 1.074 284 H CA -0.547 55.435 56.048 -0.109 0.000 1.406 284 H CB 0.781 30.486 29.762 -0.096 0.000 1.442 284 H HN 0.744 nan 8.280 nan 0.000 0.482 285 I N 2.116 122.835 120.570 0.249 0.000 2.689 285 I HA 0.517 4.687 4.170 -0.000 0.000 0.299 285 I C -1.468 174.730 176.117 0.134 0.000 1.059 285 I CA -1.124 60.252 61.300 0.127 0.000 1.055 285 I CB 2.267 40.286 38.000 0.031 0.000 1.243 285 I HN 0.254 nan 8.210 nan 0.000 0.425 286 V N 4.121 124.047 119.914 0.020 0.000 2.334 286 V HA 0.560 4.680 4.120 -0.000 0.000 0.281 286 V C 0.336 176.332 176.094 -0.165 0.000 1.016 286 V CA -0.035 62.254 62.300 -0.020 0.000 0.832 286 V CB 1.283 33.093 31.823 -0.022 0.000 0.999 286 V HN 1.007 nan 8.190 nan 0.000 0.439 287 T N 0.869 115.307 114.554 -0.193 0.000 2.926 287 T HA 0.587 4.937 4.350 -0.000 0.000 0.289 287 T C -0.233 174.402 174.700 -0.109 0.000 1.054 287 T CA -0.699 61.140 62.100 -0.436 0.000 1.015 287 T CB 2.059 70.696 68.868 -0.385 0.000 1.167 287 T HN 0.390 nan 8.240 nan 0.000 0.526 288 T N 1.803 116.433 114.554 0.126 0.000 2.758 288 T HA 0.374 4.724 4.350 -0.000 0.000 0.285 288 T C -0.039 174.770 174.700 0.181 0.000 0.981 288 T CA -0.619 61.601 62.100 0.200 0.000 0.965 288 T CB 0.839 69.851 68.868 0.240 0.000 0.927 288 T HN 0.637 nan 8.240 nan 0.000 0.448 289 K N 3.303 123.765 120.400 0.102 0.000 2.245 289 K HA 0.384 4.704 4.320 -0.000 0.000 0.281 289 K C 0.685 177.325 176.600 0.066 0.000 1.079 289 K CA 0.365 56.698 56.287 0.077 0.000 1.000 289 K CB -0.650 31.889 32.500 0.064 0.000 1.038 289 K HN 0.962 nan 8.250 nan 0.000 0.430 322 Y N 0.995 121.271 120.300 -0.039 0.000 2.948 322 Y HA -0.131 4.419 4.550 -0.000 0.000 0.194 322 Y C 1.067 176.907 175.900 -0.100 0.000 1.469 322 Y CA 1.405 59.465 58.100 -0.068 0.000 0.926 322 Y CB -0.571 37.829 38.460 -0.100 0.000 1.450 322 Y HN 1.618 nan 8.280 nan 0.000 0.345 323 S N 2.207 117.802 115.700 -0.175 0.000 2.634 323 S HA 0.100 4.569 4.470 -0.000 0.000 0.261 323 S C 1.036 175.533 174.600 -0.171 0.000 1.271 323 S CA -0.047 58.095 58.200 -0.096 0.000 0.985 323 S CB 0.502 63.714 63.200 0.019 0.000 0.968 323 S HN 0.662 nan 8.310 nan 0.000 0.568 324 W N 0.659 121.944 121.300 -0.025 0.000 2.358 324 W HA -0.064 4.595 4.660 -0.000 0.000 0.303 324 W C 3.043 179.515 176.519 -0.078 0.000 1.208 324 W CA 1.388 58.696 57.345 -0.061 0.000 1.274 324 W CB -0.774 28.705 29.460 0.031 0.000 1.138 324 W HN 0.715 nan 8.180 nan 0.000 0.515 325 S N 0.303 116.179 115.700 0.294 0.000 2.372 325 S HA -0.321 4.149 4.470 -0.000 0.000 0.227 325 S C 1.929 176.617 174.600 0.145 0.000 1.044 325 S CA 1.808 60.176 58.200 0.280 0.000 1.050 325 S CB -0.981 62.371 63.200 0.254 0.000 0.901 325 S HN 0.332 nan 8.310 nan 0.000 0.447 326 A N 1.391 124.163 122.820 -0.080 0.000 1.902 326 A HA 0.123 4.443 4.320 -0.000 0.000 0.217 326 A C 2.385 179.795 177.584 -0.290 0.000 1.181 326 A CA 1.754 53.617 52.037 -0.289 0.000 0.623 326 A CB -1.155 17.442 19.000 -0.673 0.000 0.818 326 A HN 0.538 nan 8.150 nan 0.000 0.443 327 A N -0.751 121.902 122.820 -0.278 0.000 1.892 327 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 327 A C 2.014 179.649 177.584 0.086 0.000 1.188 327 A CA 1.825 53.844 52.037 -0.030 0.000 0.631 327 A CB -0.786 18.208 19.000 -0.011 0.000 0.822 327 A HN 0.690 nan 8.150 nan 0.000 0.447 328 F N 0.959 120.875 119.950 -0.058 0.000 1.997 328 F HA -0.030 4.497 4.527 -0.000 0.000 0.296 328 F C 2.449 178.294 175.800 0.076 0.000 1.160 328 F CA 1.790 59.786 58.000 -0.006 0.000 1.176 328 F CB -1.152 37.842 39.000 -0.010 0.000 0.964 328 F HN 0.209 nan 8.300 nan 0.000 0.484 329 G N -0.584 108.115 108.800 -0.169 0.000 2.596 329 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.223 329 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.223 329 G C 1.598 176.479 174.900 -0.032 0.000 1.120 329 G CA 1.274 46.266 45.100 -0.179 0.000 0.752 329 G HN 0.555 nan 8.290 nan 0.000 0.596 330 E N 0.120 120.328 120.200 0.013 0.000 2.106 330 E HA 0.072 4.422 4.350 -0.000 0.000 0.192 330 E C 2.795 179.473 176.600 0.130 0.000 0.984 330 E CA 0.924 57.376 56.400 0.087 0.000 0.806 330 E CB -0.202 29.566 29.700 0.114 0.000 0.750 330 E HN 0.407 nan 8.360 nan 0.000 0.458 331 A N 0.407 123.287 122.820 0.099 0.000 1.840 331 A HA -0.121 4.199 4.320 -0.000 0.000 0.214 331 A C 2.412 180.228 177.584 0.387 0.000 1.198 331 A CA 1.619 53.786 52.037 0.217 0.000 0.608 331 A CB -0.937 18.159 19.000 0.160 0.000 0.839 331 A HN 0.228 nan 8.150 nan 0.000 0.443 332 V N -1.389 118.584 119.914 0.098 0.000 2.287 332 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 332 V C 2.387 178.694 176.094 0.355 0.000 1.053 332 V CA 2.656 65.032 62.300 0.126 0.000 1.027 332 V CB -2.154 29.450 31.823 -0.365 0.000 0.646 332 V HN 0.468 nan 8.190 nan 0.000 0.447 333 T N 0.051 114.837 114.554 0.387 0.000 2.699 333 T HA -0.274 4.076 4.350 -0.000 0.000 0.268 333 T C 1.863 176.752 174.700 0.315 0.000 1.036 333 T CA 2.207 64.535 62.100 0.380 0.000 1.147 333 T CB -0.325 68.735 68.868 0.319 0.000 0.862 333 T HN 0.787 nan 8.240 nan 0.000 0.446 334 E N -0.197 120.207 120.200 0.339 0.000 2.047 334 E HA -0.138 4.211 4.350 -0.000 0.000 0.191 334 E C 2.083 178.881 176.600 0.330 0.000 0.987 334 E CA 0.863 57.477 56.400 0.358 0.000 0.799 334 E CB -0.198 29.785 29.700 0.473 0.000 0.752 334 E HN 0.651 nan 8.360 nan 0.000 0.449 335 W N 1.229 122.668 121.300 0.232 0.000 2.335 335 W HA -0.178 4.482 4.660 -0.000 0.000 0.311 335 W C 1.949 178.433 176.519 -0.058 0.000 1.213 335 W CA 1.995 59.316 57.345 -0.039 0.000 1.274 335 W CB -0.376 29.062 29.460 -0.037 0.000 1.148 335 W HN 0.213 nan 8.180 nan 0.000 0.498 336 A N 0.627 123.521 122.820 0.124 0.000 2.172 336 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 336 A C 1.947 179.491 177.584 -0.067 0.000 1.154 336 A CA 1.325 53.323 52.037 -0.066 0.000 0.701 336 A CB -0.622 18.239 19.000 -0.230 0.000 0.789 336 A HN 0.342 nan 8.150 nan 0.000 0.465 337 K N -0.510 119.917 120.400 0.044 0.000 2.097 337 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 337 K C 1.877 178.434 176.600 -0.072 0.000 1.049 337 K CA 1.840 58.175 56.287 0.080 0.000 0.933 337 K CB -0.168 32.381 32.500 0.081 0.000 0.717 337 K HN 0.720 nan 8.250 nan 0.000 0.442 338 T N -2.069 112.352 114.554 -0.222 0.000 3.037 338 T HA -0.003 4.346 4.350 -0.000 0.000 0.251 338 T C 0.312 174.813 174.700 -0.332 0.000 1.079 338 T CA -0.064 61.862 62.100 -0.291 0.000 1.067 338 T CB 0.207 68.838 68.868 -0.396 0.000 0.948 338 T HN -0.076 nan 8.240 nan 0.000 0.496 339 D N 2.721 122.895 120.400 -0.378 0.000 2.464 339 D HA 0.312 4.951 4.640 -0.000 0.000 0.243 339 D C -1.918 174.323 176.300 -0.098 0.000 1.104 339 D CA -2.704 51.125 54.000 -0.284 0.000 0.883 339 D CB 1.929 42.479 40.800 -0.417 0.000 1.050 339 D HN -0.025 nan 8.370 nan 0.000 0.524 340 P HA -0.013 nan 4.420 nan 0.000 0.242 340 P C 0.808 178.137 177.300 0.048 0.000 1.197 340 P CA 0.281 63.381 63.100 -0.000 0.000 0.765 340 P CB 0.361 32.057 31.700 -0.008 0.000 0.936 341 R N -0.871 119.664 120.500 0.057 0.000 2.276 341 R HA 0.116 4.456 4.340 -0.000 0.000 0.196 341 R C 0.515 176.917 176.300 0.170 0.000 0.961 341 R CA 0.380 56.543 56.100 0.105 0.000 1.024 341 R CB -0.350 29.997 30.300 0.078 0.000 0.940 341 R HN 0.112 nan 8.270 nan 0.000 0.480 342 T N 1.477 116.137 114.554 0.176 0.000 2.814 342 T HA 0.171 4.521 4.350 -0.000 0.000 0.297 342 T C -0.829 174.018 174.700 0.244 0.000 0.956 342 T CA 0.402 62.643 62.100 0.235 0.000 1.123 342 T CB 0.316 69.369 68.868 0.308 0.000 0.902 342 T HN 0.012 nan 8.240 nan 0.000 0.528 343 F N 3.573 123.601 119.950 0.129 0.000 2.612 343 F HA 0.461 4.988 4.527 -0.000 0.000 0.332 343 F C -0.505 175.343 175.800 0.078 0.000 1.167 343 F CA -0.980 57.101 58.000 0.135 0.000 0.970 343 F CB 1.184 40.238 39.000 0.090 0.000 1.234 343 F HN 0.226 nan 8.300 nan 0.000 0.453 344 V N 6.249 126.328 119.914 0.275 0.000 2.498 344 V HA 0.382 4.501 4.120 -0.000 0.000 0.279 344 V C -0.447 175.757 176.094 0.185 0.000 1.048 344 V CA -0.448 61.903 62.300 0.086 0.000 0.967 344 V CB 1.396 32.949 31.823 -0.451 0.000 0.988 344 V HN 0.453 nan 8.190 nan 0.000 0.473 345 V N 4.110 124.084 119.914 0.099 0.000 2.443 345 V HA 0.447 4.567 4.120 -0.000 0.000 0.293 345 V C 0.027 176.133 176.094 0.019 0.000 1.021 345 V CA -0.337 61.978 62.300 0.024 0.000 0.848 345 V CB 1.931 33.760 31.823 0.009 0.000 0.998 345 V HN 0.923 nan 8.190 nan 0.000 0.424 346 T N 6.440 120.977 114.554 -0.028 0.000 2.855 346 T HA 0.603 4.952 4.350 -0.000 0.000 0.281 346 T C -2.831 171.862 174.700 -0.011 0.000 1.007 346 T CA -2.163 59.958 62.100 0.034 0.000 1.009 346 T CB 2.055 70.995 68.868 0.121 0.000 0.983 346 T HN 0.459 nan 8.240 nan 0.000 0.455 347 P HA 0.389 nan 4.420 nan 0.000 0.234 347 P C -0.386 176.873 177.300 -0.069 0.000 1.799 347 P CA -0.229 62.848 63.100 -0.039 0.000 1.118 347 P CB -0.116 31.560 31.700 -0.039 0.000 1.827 348 A N 3.461 126.262 122.820 -0.032 0.000 2.091 348 A HA -0.132 4.188 4.320 -0.000 0.000 0.270 348 A C 0.371 177.925 177.584 -0.050 0.000 1.368 348 A CA 0.948 52.973 52.037 -0.020 0.000 0.745 348 A CB -1.980 16.991 19.000 -0.048 0.000 1.173 348 A HN 0.442 nan 8.150 nan 0.000 0.322 349 M N 0.459 120.067 119.600 0.015 0.000 5.337 349 M HA 0.125 4.605 4.480 -0.000 0.000 0.630 349 M C 0.868 177.251 176.300 0.138 0.000 2.346 349 M CA 0.022 55.327 55.300 0.008 0.000 0.364 349 M CB -0.439 32.076 32.600 -0.143 0.000 1.453 349 M HN 0.764 nan 8.290 nan 0.000 0.676 350 R N 1.660 122.270 120.500 0.184 0.000 2.082 350 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 350 R C 1.659 178.084 176.300 0.209 0.000 1.136 350 R CA 2.688 58.938 56.100 0.249 0.000 0.935 350 R CB 0.342 30.793 30.300 0.251 0.000 0.842 350 R HN 0.396 nan 8.270 nan 0.000 0.430 351 E N -0.453 119.848 120.200 0.167 0.000 2.150 351 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 351 E C 1.947 178.675 176.600 0.213 0.000 0.985 351 E CA 1.113 57.610 56.400 0.163 0.000 0.814 351 E CB -0.639 29.137 29.700 0.128 0.000 0.752 351 E HN 0.547 nan 8.360 nan 0.000 0.466 352 G N 2.260 111.205 108.800 0.241 0.000 2.639 352 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.216 352 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.216 352 G C 1.747 176.925 174.900 0.464 0.000 1.267 352 G CA 1.685 47.015 45.100 0.383 0.000 0.801 352 G HN 0.365 nan 8.290 nan 0.000 0.592 353 S N 0.248 116.237 115.700 0.482 0.000 2.507 353 S HA 0.282 4.752 4.470 -0.000 0.000 0.235 353 S C 1.656 176.553 174.600 0.495 0.000 0.988 353 S CA 1.232 59.735 58.200 0.505 0.000 0.944 353 S CB 0.004 63.482 63.200 0.464 0.000 0.762 353 S HN 1.694 nan 8.310 nan 0.000 0.526 354 G N 0.848 109.867 108.800 0.365 0.000 2.145 354 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.176 354 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.176 354 G C 0.271 175.297 174.900 0.210 0.000 1.013 354 G CA -0.220 45.039 45.100 0.265 0.000 0.689 354 G HN 0.345 nan 8.290 nan 0.000 0.506 355 L N 0.797 122.161 121.223 0.234 0.000 2.611 355 L HA 0.204 4.544 4.340 -0.000 0.000 0.229 355 L C 2.687 179.657 176.870 0.166 0.000 1.137 355 L CA 0.609 55.578 54.840 0.215 0.000 0.901 355 L CB -0.882 41.347 42.059 0.283 0.000 1.098 355 L HN 0.214 nan 8.230 nan 0.000 0.456 356 V N 1.014 121.001 119.914 0.121 0.000 2.222 356 V HA -0.387 3.733 4.120 -0.000 0.000 0.252 356 V C 2.654 178.766 176.094 0.030 0.000 1.060 356 V CA 2.427 64.762 62.300 0.059 0.000 1.027 356 V CB -0.502 31.357 31.823 0.059 0.000 0.644 356 V HN 0.521 nan 8.190 nan 0.000 0.448 357 E N -0.091 120.143 120.200 0.055 0.000 2.023 357 E HA -0.310 4.040 4.350 -0.000 0.000 0.196 357 E C 2.065 178.695 176.600 0.050 0.000 1.003 357 E CA 2.141 58.565 56.400 0.040 0.000 0.809 357 E CB -0.531 29.201 29.700 0.053 0.000 0.755 357 E HN 0.468 nan 8.360 nan 0.000 0.449 358 F N 1.782 121.726 119.950 -0.010 0.000 2.085 358 F HA -0.348 4.179 4.527 -0.000 0.000 0.299 358 F C 2.528 178.328 175.800 -0.000 0.000 1.096 358 F CA 2.674 60.698 58.000 0.040 0.000 1.227 358 F CB -0.714 38.300 39.000 0.024 0.000 0.983 358 F HN 0.249 nan 8.300 nan 0.000 0.482 359 S N 0.213 115.901 115.700 -0.020 0.000 2.419 359 S HA -0.214 4.256 4.470 -0.000 0.000 0.233 359 S C 1.958 176.400 174.600 -0.262 0.000 1.016 359 S CA 1.221 59.218 58.200 -0.339 0.000 0.974 359 S CB -0.715 62.003 63.200 -0.803 0.000 0.786 359 S HN 0.562 nan 8.310 nan 0.000 0.492 360 R N 0.525 120.905 120.500 -0.200 0.000 2.093 360 R HA 0.137 4.477 4.340 -0.000 0.000 0.224 360 R C 1.989 178.149 176.300 -0.234 0.000 1.101 360 R CA 1.237 57.230 56.100 -0.178 0.000 0.979 360 R CB -0.454 29.772 30.300 -0.123 0.000 0.877 360 R HN 0.405 nan 8.270 nan 0.000 0.441 361 V N -0.142 119.585 119.914 -0.312 0.000 3.235 361 V HA -0.048 4.071 4.120 -0.000 0.000 0.259 361 V C 0.067 175.655 176.094 -0.844 0.000 1.133 361 V CA 1.016 63.011 62.300 -0.508 0.000 1.128 361 V CB -0.401 31.131 31.823 -0.485 0.000 0.757 361 V HN 0.314 nan 8.190 nan 0.000 0.469 362 H N -0.207 118.594 119.070 -0.450 0.000 2.439 362 H HA 0.250 4.806 4.556 -0.000 0.000 0.230 362 H C -1.813 173.357 175.328 -0.264 0.000 1.420 362 H CA -1.405 54.388 56.048 -0.426 0.000 1.305 362 H CB 0.635 29.947 29.762 -0.750 0.000 1.667 362 H HN 0.153 nan 8.280 nan 0.000 0.515 363 P HA -0.215 nan 4.420 nan 0.000 0.215 363 P C 0.926 178.194 177.300 -0.054 0.000 1.153 363 P CA 1.536 64.561 63.100 -0.125 0.000 0.853 363 P CB 0.423 31.979 31.700 -0.240 0.000 0.788 364 H N -0.690 118.376 119.070 -0.007 0.000 2.546 364 H HA 0.134 4.690 4.556 -0.000 0.000 0.277 364 H C 1.093 176.356 175.328 -0.109 0.000 1.004 364 H CA 0.398 56.451 56.048 0.008 0.000 1.231 364 H CB 0.092 29.860 29.762 0.009 0.000 1.382 364 H HN 0.046 nan 8.280 nan 0.000 0.580 365 R N -0.132 120.257 120.500 -0.185 0.000 2.690 365 R HA 0.116 4.456 4.340 -0.000 0.000 0.419 365 R C -1.222 174.649 176.300 -0.716 0.000 1.090 365 R CA -0.242 55.274 56.100 -0.973 0.000 1.064 365 R CB 0.475 30.402 30.300 -0.622 0.000 1.391 365 R HN 0.201 nan 8.270 nan 0.000 0.586 366 Y N 0.567 120.750 120.300 -0.194 0.000 2.562 366 Y HA 0.621 5.171 4.550 -0.000 0.000 0.343 366 Y C -1.607 174.511 175.900 0.364 0.000 1.025 366 Y CA -1.509 56.721 58.100 0.215 0.000 1.082 366 Y CB 1.885 40.515 38.460 0.283 0.000 1.264 366 Y HN 0.018 nan 8.280 nan 0.000 0.478 367 L N 5.286 126.182 121.223 -0.545 0.000 2.639 367 L HA 0.352 4.692 4.340 -0.000 0.000 0.264 367 L C -2.053 174.511 176.870 -0.510 0.000 0.948 367 L CA -0.318 54.337 54.840 -0.309 0.000 0.912 367 L CB 1.715 43.809 42.059 0.058 0.000 1.294 367 L HN 0.770 nan 8.230 nan 0.000 0.412 368 D N 4.094 124.288 120.400 -0.342 0.000 2.499 368 D HA 0.163 4.803 4.640 -0.000 0.000 0.225 368 D C 1.110 177.378 176.300 -0.053 0.000 1.124 368 D CA -0.007 53.904 54.000 -0.147 0.000 0.938 368 D CB 1.406 42.243 40.800 0.062 0.000 1.014 368 D HN 0.503 nan 8.370 nan 0.000 0.517 369 V N 1.724 121.602 119.914 -0.060 0.000 3.510 369 V HA 0.296 4.416 4.120 -0.000 0.000 0.270 369 V C 1.136 177.213 176.094 -0.028 0.000 1.201 369 V CA 0.623 62.901 62.300 -0.036 0.000 1.166 369 V CB -1.141 30.660 31.823 -0.036 0.000 0.825 369 V HN 0.625 nan 8.190 nan 0.000 0.484 370 G N 0.987 109.772 108.800 -0.026 0.000 2.693 370 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.226 370 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.226 370 G C -0.211 174.649 174.900 -0.067 0.000 1.354 370 G CA -0.236 44.844 45.100 -0.033 0.000 0.873 370 G HN 0.752 nan 8.290 nan 0.000 0.562 371 I N 1.282 121.800 120.570 -0.085 0.000 2.426 371 I HA 0.425 4.595 4.170 -0.000 0.000 0.282 371 I C 1.089 177.142 176.117 -0.106 0.000 1.064 371 I CA 0.897 62.114 61.300 -0.138 0.000 2.047 371 I CB -0.810 37.090 38.000 -0.165 0.000 1.497 371 I HN 0.945 nan 8.210 nan 0.000 0.899 372 A N 2.562 125.334 122.820 -0.079 0.000 3.409 372 A HA 0.411 4.731 4.320 -0.000 0.000 0.282 372 A C 0.725 178.293 177.584 -0.026 0.000 1.064 372 A CA -0.493 51.517 52.037 -0.046 0.000 0.889 372 A CB 0.273 19.255 19.000 -0.031 0.000 1.251 372 A HN 0.377 nan 8.150 nan 0.000 0.538 373 E N 0.656 120.842 120.200 -0.023 0.000 2.058 373 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 373 E C 1.478 178.101 176.600 0.039 0.000 0.997 373 E CA 2.150 58.562 56.400 0.020 0.000 0.801 373 E CB -0.087 29.639 29.700 0.042 0.000 0.746 373 E HN 0.788 nan 8.360 nan 0.000 0.450 374 E N -0.005 120.210 120.200 0.026 0.000 2.095 374 E HA -0.255 4.095 4.350 -0.000 0.000 0.212 374 E C 2.095 178.711 176.600 0.026 0.000 1.044 374 E CA 1.839 58.255 56.400 0.027 0.000 0.857 374 E CB -0.690 29.017 29.700 0.011 0.000 0.764 374 E HN 0.097 nan 8.360 nan 0.000 0.462 375 V N 1.048 120.968 119.914 0.010 0.000 2.255 375 V HA -0.323 3.797 4.120 -0.000 0.000 0.247 375 V C 2.280 178.374 176.094 0.002 0.000 1.051 375 V CA 1.909 64.210 62.300 0.001 0.000 1.018 375 V CB -1.145 30.672 31.823 -0.010 0.000 0.641 375 V HN 0.440 nan 8.190 nan 0.000 0.445 376 A N 0.007 122.830 122.820 0.006 0.000 1.881 376 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 376 A C 2.389 179.984 177.584 0.019 0.000 1.215 376 A CA 2.861 54.902 52.037 0.008 0.000 0.648 376 A CB -1.022 17.996 19.000 0.030 0.000 0.832 376 A HN 0.362 nan 8.150 nan 0.000 0.455 377 V N -0.910 119.044 119.914 0.066 0.000 2.379 377 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 377 V C 2.606 178.738 176.094 0.063 0.000 1.044 377 V CA 2.327 64.692 62.300 0.108 0.000 1.036 377 V CB -1.021 30.930 31.823 0.214 0.000 0.664 377 V HN 0.630 nan 8.190 nan 0.000 0.453 378 T N -0.912 113.669 114.554 0.045 0.000 3.043 378 T HA -0.095 4.255 4.350 -0.000 0.000 0.263 378 T C 1.921 176.616 174.700 -0.009 0.000 1.094 378 T CA 1.431 63.547 62.100 0.027 0.000 1.127 378 T CB -0.153 68.737 68.868 0.038 0.000 0.905 378 T HN 0.490 nan 8.240 nan 0.000 0.490 379 T N 2.039 116.577 114.554 -0.027 0.000 2.777 379 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 379 T C 2.421 177.062 174.700 -0.098 0.000 1.040 379 T CA 1.118 63.178 62.100 -0.067 0.000 1.141 379 T CB -0.406 68.414 68.868 -0.079 0.000 0.868 379 T HN 0.429 nan 8.240 nan 0.000 0.444 380 A N 1.521 124.293 122.820 -0.081 0.000 1.902 380 A HA 0.152 4.472 4.320 -0.000 0.000 0.217 380 A C 2.663 180.200 177.584 -0.078 0.000 1.181 380 A CA 1.839 53.817 52.037 -0.099 0.000 0.623 380 A CB -1.178 17.759 19.000 -0.105 0.000 0.818 380 A HN 0.495 nan 8.150 nan 0.000 0.443 381 A N -0.346 122.450 122.820 -0.040 0.000 1.892 381 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 381 A C 2.479 180.042 177.584 -0.035 0.000 1.188 381 A CA 2.213 54.237 52.037 -0.022 0.000 0.631 381 A CB -1.579 17.425 19.000 0.007 0.000 0.822 381 A HN 0.818 nan 8.150 nan 0.000 0.447 382 G N -0.612 108.163 108.800 -0.042 0.000 2.476 382 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.218 382 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.218 382 G C 1.657 176.521 174.900 -0.060 0.000 1.164 382 G CA 1.411 46.482 45.100 -0.048 0.000 0.768 382 G HN 0.499 nan 8.290 nan 0.000 0.560 383 M N 0.791 120.337 119.600 -0.091 0.000 2.149 383 M HA -0.011 4.469 4.480 -0.000 0.000 0.261 383 M C 3.039 179.310 176.300 -0.049 0.000 1.064 383 M CA 1.400 56.642 55.300 -0.096 0.000 1.102 383 M CB -0.259 32.244 32.600 -0.162 0.000 1.369 383 M HN 0.315 nan 8.290 nan 0.000 0.408 384 A N 0.460 123.254 122.820 -0.043 0.000 1.902 384 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 384 A C 2.011 179.586 177.584 -0.016 0.000 1.181 384 A CA 1.199 53.222 52.037 -0.023 0.000 0.623 384 A CB -0.744 18.240 19.000 -0.028 0.000 0.818 384 A HN 0.356 nan 8.150 nan 0.000 0.443 385 L N -0.428 120.784 121.223 -0.020 0.000 2.189 385 L HA -0.156 4.184 4.340 -0.000 0.000 0.214 385 L C 1.714 178.577 176.870 -0.011 0.000 1.097 385 L CA 1.578 56.409 54.840 -0.014 0.000 0.764 385 L CB -1.093 40.956 42.059 -0.017 0.000 0.900 385 L HN 0.453 nan 8.230 nan 0.000 0.436 386 Q N -0.833 118.959 119.800 -0.014 0.000 2.204 386 Q HA 0.262 4.602 4.340 -0.000 0.000 0.209 386 Q C 1.194 177.195 176.000 0.002 0.000 0.861 386 Q CA 0.581 56.379 55.803 -0.008 0.000 0.971 386 Q CB 0.339 29.070 28.738 -0.013 0.000 1.095 386 Q HN 0.512 nan 8.270 nan 0.000 0.486 387 G N 0.915 109.718 108.800 0.004 0.000 2.160 387 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.251 387 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.251 387 G C 0.357 175.273 174.900 0.026 0.000 1.008 387 G CA 0.284 45.391 45.100 0.012 0.000 0.724 387 G HN 0.132 nan 8.290 nan 0.000 0.514 388 M N -1.090 118.529 119.600 0.031 0.000 1.921 388 M HA 0.498 4.978 4.480 -0.000 0.000 0.243 388 M C 1.210 177.548 176.300 0.062 0.000 1.280 388 M CA -0.150 55.189 55.300 0.065 0.000 0.988 388 M CB 0.234 32.881 32.600 0.079 0.000 1.336 388 M HN 0.032 nan 8.290 nan 0.000 0.496 389 R N 1.060 121.620 120.500 0.100 0.000 2.782 389 R HA 0.313 4.653 4.340 -0.000 0.000 0.293 389 R C -2.501 173.853 176.300 0.090 0.000 1.333 389 R CA -1.502 54.650 56.100 0.086 0.000 1.479 389 R CB -0.028 30.342 30.300 0.117 0.000 1.306 389 R HN 0.393 nan 8.270 nan 0.000 0.654 390 P HA 0.042 nan 4.420 nan 0.000 0.268 390 P C -0.099 177.199 177.300 -0.004 0.000 1.205 390 P CA -0.028 63.109 63.100 0.061 0.000 0.771 390 P CB 1.445 33.129 31.700 -0.026 0.000 0.858 391 V N 4.627 124.565 119.914 0.041 0.000 2.326 391 V HA 0.105 4.225 4.120 -0.000 0.000 0.281 391 V C 0.329 176.426 176.094 0.005 0.000 1.015 391 V CA -0.711 61.598 62.300 0.015 0.000 0.823 391 V CB 1.772 33.657 31.823 0.104 0.000 1.009 391 V HN 0.260 nan 8.190 nan 0.000 0.436 392 V N 5.138 124.980 119.914 -0.120 0.000 2.389 392 V HA 0.568 4.688 4.120 -0.000 0.000 0.264 392 V C 0.710 176.842 176.094 0.063 0.000 1.049 392 V CA -0.230 62.040 62.300 -0.050 0.000 0.932 392 V CB 1.267 33.011 31.823 -0.132 0.000 1.011 392 V HN 0.900 nan 8.190 nan 0.000 0.475 393 A N 6.902 129.793 122.820 0.117 0.000 2.274 393 A HA 0.872 5.191 4.320 -0.000 0.000 0.309 393 A C -0.608 177.073 177.584 0.161 0.000 1.226 393 A CA -0.411 51.706 52.037 0.132 0.000 0.853 393 A CB 0.521 19.677 19.000 0.260 0.000 1.146 393 A HN 0.875 nan 8.150 nan 0.000 0.518 394 I N 1.782 122.454 120.570 0.170 0.000 2.753 394 I HA 0.323 4.493 4.170 -0.000 0.000 0.291 394 I C -1.523 174.765 176.117 0.285 0.000 1.425 394 I CA -0.762 60.676 61.300 0.231 0.000 1.039 394 I CB 1.241 39.381 38.000 0.233 0.000 1.349 394 I HN 0.637 nan 8.210 nan 0.000 0.430 395 Y N 4.601 124.962 120.300 0.101 0.000 2.497 395 Y HA 0.044 4.594 4.550 -0.000 0.000 0.334 395 Y C 1.712 177.542 175.900 -0.116 0.000 1.199 395 Y CA 0.348 58.407 58.100 -0.069 0.000 1.425 395 Y CB 0.963 39.312 38.460 -0.187 0.000 1.291 395 Y HN 0.697 nan 8.280 nan 0.000 0.562 396 S N 1.574 117.255 115.700 -0.031 0.000 2.368 396 S HA -0.250 4.220 4.470 -0.000 0.000 0.226 396 S C 1.850 176.486 174.600 0.061 0.000 1.044 396 S CA 2.488 60.692 58.200 0.007 0.000 1.062 396 S CB -0.466 62.690 63.200 -0.073 0.000 0.931 396 S HN 0.903 nan 8.310 nan 0.000 0.440 397 T N 0.394 114.870 114.554 -0.131 0.000 2.788 397 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 397 T C 1.435 176.099 174.700 -0.059 0.000 1.044 397 T CA 1.488 63.538 62.100 -0.083 0.000 1.139 397 T CB -0.706 68.022 68.868 -0.233 0.000 0.867 397 T HN 0.454 nan 8.240 nan 0.000 0.454 398 F N 1.007 120.936 119.950 -0.035 0.000 2.325 398 F HA 0.294 4.821 4.527 -0.000 0.000 0.299 398 F C 2.008 177.803 175.800 -0.008 0.000 1.090 398 F CA -1.006 56.907 58.000 -0.146 0.000 1.392 398 F CB -1.223 37.665 39.000 -0.186 0.000 1.053 398 F HN 0.073 nan 8.300 nan 0.000 0.521 399 L N 0.612 121.962 121.223 0.211 0.000 2.127 399 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 399 L C 2.132 179.043 176.870 0.067 0.000 1.089 399 L CA 1.724 56.684 54.840 0.199 0.000 0.757 399 L CB -0.886 41.337 42.059 0.273 0.000 0.899 399 L HN 0.191 nan 8.230 nan 0.000 0.434 400 Q N -1.002 118.780 119.800 -0.029 0.000 2.181 400 Q HA -0.187 4.153 4.340 -0.000 0.000 0.205 400 Q C 2.010 177.933 176.000 -0.129 0.000 0.980 400 Q CA 1.143 56.747 55.803 -0.330 0.000 0.862 400 Q CB -0.294 28.337 28.738 -0.178 0.000 0.905 400 Q HN 0.382 nan 8.270 nan 0.000 0.429 401 R N -0.056 120.455 120.500 0.020 0.000 2.293 401 R HA -0.007 4.333 4.340 -0.000 0.000 0.219 401 R C 0.825 177.144 176.300 0.030 0.000 1.091 401 R CA 1.016 57.140 56.100 0.039 0.000 1.004 401 R CB 0.052 30.388 30.300 0.060 0.000 0.865 401 R HN 0.201 nan 8.270 nan 0.000 0.469 402 A N -0.962 121.879 122.820 0.034 0.000 2.610 402 A HA 0.060 4.380 4.320 -0.000 0.000 0.291 402 A C 0.981 178.598 177.584 0.056 0.000 1.116 402 A CA -0.559 51.512 52.037 0.057 0.000 0.963 402 A CB -0.146 18.913 19.000 0.098 0.000 1.220 402 A HN 0.233 nan 8.150 nan 0.000 0.530 403 Y N 1.198 121.420 120.300 -0.130 0.000 2.053 403 Y HA -0.285 4.265 4.550 -0.000 0.000 0.277 403 Y C 1.764 177.641 175.900 -0.037 0.000 1.159 403 Y CA 2.558 60.570 58.100 -0.147 0.000 1.125 403 Y CB -0.264 38.041 38.460 -0.258 0.000 0.969 403 Y HN 0.445 nan 8.280 nan 0.000 0.492 404 D N -1.039 119.269 120.400 -0.153 0.000 2.219 404 D HA -0.153 4.487 4.640 -0.000 0.000 0.205 404 D C 1.805 178.056 176.300 -0.082 0.000 0.970 404 D CA 1.131 55.008 54.000 -0.206 0.000 0.851 404 D CB 0.011 40.756 40.800 -0.093 0.000 0.943 404 D HN 0.449 nan 8.370 nan 0.000 0.488 405 Q N -0.662 119.127 119.800 -0.019 0.000 2.123 405 Q HA 0.007 4.347 4.340 -0.000 0.000 0.199 405 Q C 2.265 178.302 176.000 0.063 0.000 0.966 405 Q CA 0.587 56.419 55.803 0.048 0.000 0.845 405 Q CB -0.108 28.669 28.738 0.065 0.000 0.907 405 Q HN 0.195 nan 8.270 nan 0.000 0.439 406 V N 0.539 120.470 119.914 0.028 0.000 2.307 406 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 406 V C 2.059 178.137 176.094 -0.027 0.000 1.045 406 V CA 1.542 63.857 62.300 0.025 0.000 1.024 406 V CB -0.560 31.211 31.823 -0.087 0.000 0.651 406 V HN 0.338 nan 8.190 nan 0.000 0.449 407 L N -0.714 120.428 121.223 -0.134 0.000 1.988 407 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 407 L C 2.687 179.536 176.870 -0.034 0.000 1.071 407 L CA 2.047 56.802 54.840 -0.142 0.000 0.744 407 L CB -0.534 41.328 42.059 -0.329 0.000 0.893 407 L HN 0.448 nan 8.230 nan 0.000 0.433 408 H N -1.083 117.926 119.070 -0.102 0.000 2.448 408 H HA -0.084 4.471 4.556 -0.000 0.000 0.292 408 H C 1.100 176.413 175.328 -0.024 0.000 1.035 408 H CA 1.503 57.516 56.048 -0.058 0.000 1.349 408 H CB 0.491 30.218 29.762 -0.059 0.000 1.425 408 H HN 0.468 nan 8.280 nan 0.000 0.539 409 D N -0.336 120.081 120.400 0.028 0.000 2.379 409 D HA 0.013 4.653 4.640 -0.000 0.000 0.218 409 D C 2.075 178.374 176.300 -0.003 0.000 1.006 409 D CA 0.400 54.401 54.000 0.001 0.000 0.893 409 D CB 0.742 41.593 40.800 0.085 0.000 1.019 409 D HN 0.225 nan 8.370 nan 0.000 0.503 410 V N 1.309 121.246 119.914 0.038 0.000 2.599 410 V HA 0.096 4.216 4.120 -0.000 0.000 0.237 410 V C 2.475 178.588 176.094 0.032 0.000 1.081 410 V CA 1.168 63.505 62.300 0.062 0.000 1.107 410 V CB -0.532 31.399 31.823 0.181 0.000 0.808 410 V HN 0.075 nan 8.190 nan 0.000 0.486 411 A N 0.532 123.369 122.820 0.028 0.000 1.851 411 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 411 A C 2.181 179.782 177.584 0.028 0.000 1.195 411 A CA 2.168 54.221 52.037 0.028 0.000 0.622 411 A CB -0.724 18.280 19.000 0.007 0.000 0.831 411 A HN 0.447 nan 8.150 nan 0.000 0.444 412 I N -0.376 120.179 120.570 -0.026 0.000 2.145 412 I HA -0.254 3.916 4.170 -0.000 0.000 0.244 412 I C 1.644 177.754 176.117 -0.011 0.000 1.075 412 I CA 1.628 62.902 61.300 -0.044 0.000 1.332 412 I CB -0.203 37.720 38.000 -0.128 0.000 1.033 412 I HN 0.291 nan 8.210 nan 0.000 0.410 413 E N -0.589 119.607 120.200 -0.007 0.000 2.419 413 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 413 E C -0.229 176.431 176.600 0.100 0.000 1.040 413 E CA -0.161 56.252 56.400 0.022 0.000 0.900 413 E CB -0.277 29.418 29.700 -0.008 0.000 1.054 413 E HN 0.367 nan 8.360 nan 0.000 0.462 414 H N -0.183 118.871 119.070 -0.027 0.000 2.713 414 H HA -0.185 4.371 4.556 -0.000 0.000 0.311 414 H C -0.531 174.795 175.328 -0.003 0.000 1.175 414 H CA 0.197 56.233 56.048 -0.021 0.000 1.143 414 H CB -1.978 27.768 29.762 -0.026 0.000 1.434 414 H HN 0.141 nan 8.280 nan 0.000 0.418 415 L N -0.119 121.079 121.223 -0.042 0.000 2.464 415 L HA 0.099 4.439 4.340 -0.000 0.000 0.264 415 L C 1.225 178.049 176.870 -0.077 0.000 1.199 415 L CA 0.107 54.922 54.840 -0.042 0.000 0.818 415 L CB 0.308 42.357 42.059 -0.016 0.000 1.102 415 L HN 0.372 nan 8.230 nan 0.000 0.473 416 N N 0.577 119.251 118.700 -0.043 0.000 2.971 416 N HA 0.178 4.918 4.740 -0.000 0.000 0.294 416 N C -1.209 174.277 175.510 -0.040 0.000 1.210 416 N CA -0.255 52.781 53.050 -0.024 0.000 1.157 416 N CB 0.236 38.723 38.487 0.001 0.000 1.450 416 N HN 0.192 nan 8.380 nan 0.000 0.527 417 V N 1.116 120.991 119.914 -0.065 0.000 2.448 417 V HA 0.314 4.434 4.120 -0.000 0.000 0.295 417 V C 0.326 176.262 176.094 -0.263 0.000 1.025 417 V CA -0.651 61.519 62.300 -0.217 0.000 0.859 417 V CB 1.877 33.491 31.823 -0.348 0.000 0.988 417 V HN 0.271 nan 8.190 nan 0.000 0.431 418 T N 5.618 120.006 114.554 -0.276 0.000 2.795 418 T HA 0.627 4.977 4.350 -0.000 0.000 0.282 418 T C -0.694 173.818 174.700 -0.314 0.000 0.980 418 T CA 0.003 62.033 62.100 -0.115 0.000 1.012 418 T CB 0.443 69.309 68.868 -0.003 0.000 0.936 418 T HN 0.314 nan 8.240 nan 0.000 0.457 419 F N 1.634 121.654 119.950 0.116 0.000 2.375 419 F HA 0.373 4.900 4.527 -0.000 0.000 0.361 419 F C 0.316 176.147 175.800 0.052 0.000 1.117 419 F CA -1.130 56.919 58.000 0.082 0.000 1.037 419 F CB 0.523 39.573 39.000 0.083 0.000 1.192 419 F HN 0.421 nan 8.300 nan 0.000 0.452 420 C N 5.767 125.125 119.300 0.097 0.000 2.225 420 C HA 0.536 4.996 4.460 -0.000 0.000 0.328 420 C C 0.394 175.293 174.990 -0.152 0.000 1.187 420 C CA -1.022 57.969 59.018 -0.045 0.000 1.665 420 C CB -1.310 26.144 27.740 -0.476 0.000 2.253 420 C HN 0.560 nan 8.230 nan 0.000 0.497 421 I N 2.914 123.317 120.570 -0.278 0.000 2.328 421 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 421 I C -0.170 175.368 176.117 -0.966 0.000 1.012 421 I CA 0.102 61.171 61.300 -0.386 0.000 1.195 421 I CB 0.737 38.629 38.000 -0.181 0.000 1.350 421 I HN 0.490 nan 8.210 nan 0.000 0.464 422 D N 6.547 126.483 120.400 -0.774 0.000 2.217 422 D HA 0.312 4.952 4.640 -0.000 0.000 0.248 422 D C 0.322 176.225 176.300 -0.663 0.000 1.008 422 D CA -0.134 53.339 54.000 -0.878 0.000 0.914 422 D CB 1.160 41.750 40.800 -0.350 0.000 1.182 422 D HN 0.377 nan 8.370 nan 0.000 0.451 423 R N 0.117 120.274 120.500 -0.573 0.000 3.423 423 R HA -0.136 4.204 4.340 -0.000 0.000 0.271 423 R C -0.620 175.477 176.300 -0.337 0.000 1.093 423 R CA 0.501 56.333 56.100 -0.447 0.000 0.730 423 R CB -2.923 27.017 30.300 -0.600 0.000 1.190 423 R HN 0.413 nan 8.270 nan 0.000 0.437 424 A N 0.541 123.145 122.820 -0.360 0.000 2.451 424 A HA 0.568 4.888 4.320 -0.000 0.000 0.266 424 A C 1.412 178.865 177.584 -0.217 0.000 1.119 424 A CA 1.047 52.909 52.037 -0.292 0.000 0.786 424 A CB 0.354 19.149 19.000 -0.342 0.000 1.061 424 A HN 1.435 nan 8.150 nan 0.000 0.503 425 G N 1.418 110.113 108.800 -0.175 0.000 2.568 425 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.222 425 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.222 425 G C -0.250 174.604 174.900 -0.077 0.000 1.321 425 G CA -0.278 44.750 45.100 -0.119 0.000 0.893 425 G HN 1.109 nan 8.290 nan 0.000 0.569 426 I N 1.205 121.767 120.570 -0.014 0.000 2.587 426 I HA 0.207 4.377 4.170 -0.000 0.000 0.284 426 I C 1.928 178.028 176.117 -0.028 0.000 1.134 426 I CA 1.018 62.297 61.300 -0.035 0.000 1.410 426 I CB 1.372 39.302 38.000 -0.117 0.000 1.392 426 I HN 1.025 nan 8.210 nan 0.000 0.545 427 V N 4.379 124.293 119.914 -0.000 0.000 2.878 427 V HA 0.441 4.561 4.120 -0.000 0.000 0.250 427 V C 1.244 177.357 176.094 0.031 0.000 1.075 427 V CA 1.202 63.511 62.300 0.016 0.000 1.096 427 V CB -0.608 31.250 31.823 0.058 0.000 0.724 427 V HN 1.071 nan 8.190 nan 0.000 0.467 428 G N 0.511 109.332 108.800 0.035 0.000 3.138 428 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.247 428 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.247 428 G C 1.238 176.183 174.900 0.076 0.000 1.642 428 G CA 0.628 45.745 45.100 0.028 0.000 1.087 428 G HN 1.478 nan 8.290 nan 0.000 0.558 429 A N 0.562 123.419 122.820 0.063 0.000 2.131 429 A HA 0.141 4.461 4.320 -0.000 0.000 0.220 429 A C 1.733 179.344 177.584 0.045 0.000 1.158 429 A CA 2.608 54.680 52.037 0.058 0.000 0.665 429 A CB -0.635 18.373 19.000 0.014 0.000 0.795 429 A HN 0.680 nan 8.150 nan 0.000 0.460 430 D N -1.515 118.940 120.400 0.091 0.000 2.348 430 D HA 0.379 5.019 4.640 -0.000 0.000 0.211 430 D C 1.341 177.819 176.300 0.297 0.000 0.998 430 D CA 0.934 55.017 54.000 0.139 0.000 0.873 430 D CB 0.108 40.982 40.800 0.123 0.000 0.925 430 D HN 0.635 nan 8.370 nan 0.000 0.524 431 G N 0.992 109.954 108.800 0.271 0.000 2.598 431 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 431 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 431 G C 1.190 176.270 174.900 0.301 0.000 1.302 431 G CA 0.053 45.331 45.100 0.298 0.000 0.903 431 G HN 0.398 nan 8.290 nan 0.000 0.575 432 A N -1.461 121.530 122.820 0.286 0.000 1.940 432 A HA 0.061 4.381 4.320 -0.000 0.000 0.219 432 A C 2.751 180.492 177.584 0.262 0.000 1.176 432 A CA 3.715 55.939 52.037 0.312 0.000 0.631 432 A CB -1.129 18.025 19.000 0.258 0.000 0.814 432 A HN 2.501 nan 8.150 nan 0.000 0.446 433 T N -4.254 110.439 114.554 0.231 0.000 3.072 433 T HA -0.095 4.254 4.350 -0.000 0.000 0.266 433 T C 1.323 176.179 174.700 0.260 0.000 1.127 433 T CA 1.892 64.083 62.100 0.153 0.000 1.107 433 T CB -0.308 68.680 68.868 0.199 0.000 0.910 433 T HN 0.618 nan 8.240 nan 0.000 0.513 434 H N -0.549 118.675 119.070 0.256 0.000 3.622 434 H HA 0.427 4.983 4.556 -0.000 0.000 0.259 434 H C -0.049 175.357 175.328 0.129 0.000 1.145 434 H CA -0.594 55.591 56.048 0.229 0.000 1.178 434 H CB 0.338 30.267 29.762 0.277 0.000 1.542 434 H HN 0.379 nan 8.280 nan 0.000 0.586 435 N N 0.847 119.691 118.700 0.241 0.000 2.438 435 N HA 0.110 4.850 4.740 -0.000 0.000 0.267 435 N C 0.468 175.995 175.510 0.029 0.000 1.222 435 N CA 0.041 53.153 53.050 0.104 0.000 0.930 435 N CB 1.039 39.571 38.487 0.075 0.000 1.083 435 N HN 0.297 nan 8.380 nan 0.000 0.476 436 G N 1.816 110.592 108.800 -0.040 0.000 3.316 436 G HA2 0.110 4.070 3.960 -0.000 0.000 0.255 436 G HA3 0.110 4.070 3.960 -0.000 0.000 0.255 436 G C 0.525 175.334 174.900 -0.152 0.000 0.880 436 G CA -0.258 44.808 45.100 -0.057 0.000 1.956 436 G HN 0.481 nan 8.290 nan 0.000 0.634 437 V N 0.698 120.417 119.914 -0.324 0.000 3.271 437 V HA 0.320 4.439 4.120 -0.000 0.000 0.327 437 V C 0.921 176.618 176.094 -0.662 0.000 1.389 437 V CA 0.186 62.190 62.300 -0.494 0.000 1.156 437 V CB -0.589 30.921 31.823 -0.522 0.000 1.103 437 V HN 0.513 nan 8.190 nan 0.000 0.453 438 F N -1.476 118.491 119.950 0.028 0.000 2.592 438 F HA 0.257 4.784 4.527 -0.000 0.000 0.280 438 F C 1.805 177.470 175.800 -0.225 0.000 1.083 438 F CA 0.038 58.066 58.000 0.048 0.000 1.365 438 F CB -0.369 38.768 39.000 0.229 0.000 1.100 438 F HN 0.075 nan 8.300 nan 0.000 0.633 439 D N 1.079 121.307 120.400 -0.286 0.000 2.913 439 D HA -0.319 4.321 4.640 -0.000 0.000 0.555 439 D C 1.892 177.753 176.300 -0.733 0.000 0.581 439 D CA 2.708 56.310 54.000 -0.663 0.000 1.517 439 D CB -0.836 39.787 40.800 -0.295 0.000 0.270 439 D HN 0.183 nan 8.370 nan 0.000 0.245 440 L N 0.411 121.425 121.223 -0.348 0.000 2.201 440 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 440 L C 2.795 179.577 176.870 -0.146 0.000 1.105 440 L CA 0.909 55.629 54.840 -0.201 0.000 0.775 440 L CB -0.266 41.737 42.059 -0.094 0.000 0.913 440 L HN 0.048 nan 8.230 nan 0.000 0.440 441 S N 0.449 116.073 115.700 -0.127 0.000 2.329 441 S HA -0.134 4.336 4.470 -0.000 0.000 0.215 441 S C 1.745 176.347 174.600 0.002 0.000 1.031 441 S CA 1.485 59.677 58.200 -0.013 0.000 0.985 441 S CB -0.331 62.925 63.200 0.093 0.000 0.917 441 S HN 0.535 nan 8.310 nan 0.000 0.441 442 F N 1.472 121.445 119.950 0.039 0.000 2.325 442 F HA 0.220 4.747 4.527 -0.000 0.000 0.299 442 F C 1.656 177.540 175.800 0.140 0.000 1.090 442 F CA 0.565 58.572 58.000 0.011 0.000 1.392 442 F CB -0.812 38.084 39.000 -0.173 0.000 1.053 442 F HN 0.053 nan 8.300 nan 0.000 0.521 443 L N 0.117 121.254 121.223 -0.143 0.000 2.095 443 L HA 0.030 4.370 4.340 -0.000 0.000 0.204 443 L C 2.882 179.775 176.870 0.037 0.000 1.080 443 L CA 0.948 55.783 54.840 -0.008 0.000 0.759 443 L CB -0.630 41.306 42.059 -0.204 0.000 0.914 443 L HN 0.082 nan 8.230 nan 0.000 0.439 444 R N -0.083 120.419 120.500 0.004 0.000 2.117 444 R HA -0.172 4.168 4.340 -0.000 0.000 0.243 444 R C 2.127 178.468 176.300 0.068 0.000 1.143 444 R CA 1.651 57.776 56.100 0.042 0.000 0.968 444 R CB -0.113 30.209 30.300 0.037 0.000 0.863 444 R HN 0.198 nan 8.270 nan 0.000 0.444 445 S N -0.029 115.731 115.700 0.099 0.000 2.603 445 S HA 0.079 4.549 4.470 -0.000 0.000 0.229 445 S C 0.515 175.181 174.600 0.111 0.000 0.972 445 S CA 0.327 58.595 58.200 0.114 0.000 0.935 445 S CB -0.009 63.285 63.200 0.157 0.000 0.769 445 S HN 0.210 nan 8.310 nan 0.000 0.536 446 I N 2.691 123.322 120.570 0.101 0.000 2.321 446 I HA 0.276 4.446 4.170 -0.000 0.000 0.291 446 I C -2.604 173.538 176.117 0.042 0.000 0.998 446 I CA -2.720 58.618 61.300 0.063 0.000 1.227 446 I CB 1.153 39.182 38.000 0.048 0.000 1.368 446 I HN -0.206 nan 8.210 nan 0.000 0.466 447 P HA 0.028 nan 4.420 nan 0.000 0.262 447 P C 0.912 178.240 177.300 0.046 0.000 1.182 447 P CA 0.781 63.897 63.100 0.026 0.000 0.761 447 P CB 0.590 32.297 31.700 0.013 0.000 0.795 448 G N 1.636 110.467 108.800 0.051 0.000 2.225 448 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.254 448 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.254 448 G C 0.084 174.997 174.900 0.022 0.000 0.988 448 G CA -0.131 45.045 45.100 0.127 0.000 0.625 448 G HN 0.527 nan 8.290 nan 0.000 0.527 449 V N 2.252 122.159 119.914 -0.011 0.000 2.372 449 V HA 0.513 4.633 4.120 -0.000 0.000 0.261 449 V C 1.003 177.069 176.094 -0.048 0.000 1.055 449 V CA -0.496 61.769 62.300 -0.058 0.000 0.930 449 V CB 0.863 32.669 31.823 -0.028 0.000 1.031 449 V HN 0.357 nan 8.190 nan 0.000 0.479 450 R N 4.290 124.681 120.500 -0.181 0.000 2.539 450 R HA 0.589 4.929 4.340 -0.000 0.000 0.275 450 R C -0.487 176.031 176.300 0.363 0.000 1.077 450 R CA -0.025 56.089 56.100 0.023 0.000 1.097 450 R CB 0.514 30.514 30.300 -0.501 0.000 1.018 450 R HN 0.642 nan 8.270 nan 0.000 0.483 451 I N 1.372 122.286 120.570 0.573 0.000 2.468 451 I HA 0.415 4.585 4.170 -0.000 0.000 0.285 451 I C 0.156 176.524 176.117 0.418 0.000 1.039 451 I CA -0.671 60.892 61.300 0.438 0.000 1.074 451 I CB 2.348 40.462 38.000 0.190 0.000 1.228 451 I HN 0.605 nan 8.210 nan 0.000 0.436 452 G N 6.162 115.186 108.800 0.374 0.000 2.452 452 G HA2 0.752 4.712 3.960 -0.000 0.000 0.324 452 G HA3 0.752 4.712 3.960 -0.000 0.000 0.324 452 G C -1.329 173.505 174.900 -0.109 0.000 1.214 452 G CA -0.469 44.636 45.100 0.009 0.000 0.947 452 G HN 0.316 nan 8.290 nan 0.000 0.478 453 L N 3.823 124.857 121.223 -0.316 0.000 2.318 453 L HA 0.385 4.724 4.340 -0.000 0.000 0.277 453 L C -2.037 174.617 176.870 -0.359 0.000 1.008 453 L CA -1.677 52.967 54.840 -0.327 0.000 0.846 453 L CB 2.222 44.050 42.059 -0.385 0.000 1.220 453 L HN 0.315 nan 8.230 nan 0.000 0.423 454 P HA 0.138 nan 4.420 nan 0.000 0.276 454 P C -0.160 177.074 177.300 -0.110 0.000 1.235 454 P CA -0.523 62.479 63.100 -0.163 0.000 0.772 454 P CB 1.028 32.703 31.700 -0.042 0.000 0.871 455 K N 2.590 122.951 120.400 -0.065 0.000 2.167 455 K HA -0.028 4.292 4.320 -0.000 0.000 0.203 455 K C 0.137 176.857 176.600 0.201 0.000 1.052 455 K CA 0.914 57.204 56.287 0.004 0.000 0.956 455 K CB -0.135 32.324 32.500 -0.069 0.000 0.735 455 K HN 0.464 nan 8.250 nan 0.000 0.451 456 D N -1.953 118.579 120.400 0.220 0.000 2.752 456 D HA 0.360 5.000 4.640 -0.000 0.000 0.313 456 D C 0.470 176.858 176.300 0.147 0.000 1.225 456 D CA -0.378 53.726 54.000 0.173 0.000 0.976 456 D CB 0.624 41.417 40.800 -0.010 0.000 1.443 456 D HN -0.077 nan 8.370 nan 0.000 0.515 457 A N -0.076 122.693 122.820 -0.085 0.000 1.933 457 A HA 0.134 4.454 4.320 -0.000 0.000 0.218 457 A C 2.156 179.720 177.584 -0.033 0.000 1.175 457 A CA 2.547 54.549 52.037 -0.059 0.000 0.628 457 A CB -1.447 17.469 19.000 -0.140 0.000 0.814 457 A HN 0.721 nan 8.150 nan 0.000 0.444 458 A N -0.429 122.355 122.820 -0.060 0.000 1.883 458 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 458 A C 2.011 179.593 177.584 -0.003 0.000 1.186 458 A CA 1.904 53.902 52.037 -0.064 0.000 0.624 458 A CB -0.545 18.422 19.000 -0.053 0.000 0.822 458 A HN 0.639 nan 8.150 nan 0.000 0.444 459 E N -0.848 119.367 120.200 0.025 0.000 2.150 459 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 459 E C 1.865 178.511 176.600 0.077 0.000 0.985 459 E CA 0.929 57.352 56.400 0.038 0.000 0.814 459 E CB -0.152 29.543 29.700 -0.008 0.000 0.752 459 E HN 0.514 nan 8.360 nan 0.000 0.466 460 L N 0.950 122.241 121.223 0.112 0.000 1.994 460 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 460 L C 2.241 179.197 176.870 0.144 0.000 1.071 460 L CA 1.726 56.653 54.840 0.144 0.000 0.745 460 L CB -0.195 41.987 42.059 0.205 0.000 0.892 460 L HN -0.050 nan 8.230 nan 0.000 0.431 461 R N -0.461 120.075 120.500 0.060 0.000 2.105 461 R HA -0.140 4.200 4.340 -0.000 0.000 0.239 461 R C 2.194 178.651 176.300 0.261 0.000 1.135 461 R CA 1.316 57.421 56.100 0.007 0.000 0.967 461 R CB -0.979 29.055 30.300 -0.443 0.000 0.861 461 R HN 0.630 nan 8.270 nan 0.000 0.442 462 G N 0.609 109.533 108.800 0.208 0.000 2.453 462 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.215 462 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.215 462 G C 1.403 176.496 174.900 0.323 0.000 1.201 462 G CA 0.825 46.093 45.100 0.280 0.000 0.784 462 G HN 0.148 nan 8.290 nan 0.000 0.545 463 M N -0.308 119.475 119.600 0.305 0.000 2.080 463 M HA -0.057 4.423 4.480 -0.000 0.000 0.260 463 M C 2.505 178.999 176.300 0.325 0.000 1.068 463 M CA 1.156 56.725 55.300 0.448 0.000 1.109 463 M CB -0.534 32.321 32.600 0.425 0.000 1.342 463 M HN 0.263 nan 8.290 nan 0.000 0.405 464 L N 0.819 122.169 121.223 0.210 0.000 1.990 464 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 464 L C 2.404 179.123 176.870 -0.253 0.000 1.072 464 L CA 2.047 56.905 54.840 0.031 0.000 0.755 464 L CB -0.832 41.292 42.059 0.109 0.000 0.889 464 L HN 0.229 nan 8.230 nan 0.000 0.432 465 K N -1.756 118.529 120.400 -0.191 0.000 2.034 465 K HA -0.315 4.005 4.320 -0.000 0.000 0.214 465 K C 2.294 178.812 176.600 -0.136 0.000 1.051 465 K CA 2.381 58.426 56.287 -0.404 0.000 0.931 465 K CB -0.658 31.951 32.500 0.181 0.000 0.715 465 K HN 0.449 nan 8.250 nan 0.000 0.446 466 Y N 0.651 120.935 120.300 -0.027 0.000 2.070 466 Y HA -0.314 4.236 4.550 -0.000 0.000 0.280 466 Y C 2.193 177.896 175.900 -0.329 0.000 1.148 466 Y CA 2.100 60.193 58.100 -0.012 0.000 1.125 466 Y CB -0.518 37.953 38.460 0.018 0.000 0.975 466 Y HN 0.259 nan 8.280 nan 0.000 0.492 467 A N 0.039 122.587 122.820 -0.452 0.000 1.884 467 A HA -0.301 4.018 4.320 -0.000 0.000 0.219 467 A C 2.020 179.352 177.584 -0.421 0.000 1.197 467 A CA 2.137 53.635 52.037 -0.897 0.000 0.637 467 A CB -0.830 17.887 19.000 -0.471 0.000 0.827 467 A HN 0.587 nan 8.150 nan 0.000 0.450 468 Q N -0.653 118.954 119.800 -0.322 0.000 2.437 468 Q HA -0.070 4.270 4.340 -0.000 0.000 0.210 468 Q C 1.214 177.179 176.000 -0.058 0.000 0.972 468 Q CA 1.600 57.289 55.803 -0.190 0.000 0.903 468 Q CB -0.379 28.135 28.738 -0.373 0.000 0.967 468 Q HN 0.870 nan 8.270 nan 0.000 0.486 469 T N -2.915 111.554 114.554 -0.141 0.000 3.296 469 T HA 0.239 4.589 4.350 -0.000 0.000 0.285 469 T C 0.147 174.504 174.700 -0.572 0.000 1.014 469 T CA -0.492 61.471 62.100 -0.229 0.000 0.920 469 T CB 0.111 68.867 68.868 -0.186 0.000 1.143 469 T HN 0.072 nan 8.240 nan 0.000 0.522 470 H N 0.361 119.290 119.070 -0.234 0.000 2.928 470 H HA 0.387 4.943 4.556 -0.000 0.000 0.371 470 H C -1.145 174.214 175.328 0.051 0.000 1.186 470 H CA -0.904 55.059 56.048 -0.142 0.000 1.134 470 H CB 1.772 31.372 29.762 -0.270 0.000 1.824 470 H HN 0.172 nan 8.280 nan 0.000 0.554 471 D N 0.911 121.436 120.400 0.209 0.000 2.417 471 D HA 0.370 5.009 4.640 -0.000 0.000 0.250 471 D C 1.079 177.446 176.300 0.111 0.000 1.166 471 D CA 1.197 55.295 54.000 0.163 0.000 0.881 471 D CB 0.877 41.786 40.800 0.182 0.000 1.164 471 D HN 0.876 nan 8.370 nan 0.000 0.467 472 G N 2.409 111.137 108.800 -0.119 0.000 2.462 472 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.685 472 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.685 472 G C -3.078 171.626 174.900 -0.327 0.000 1.295 472 G CA -1.180 43.527 45.100 -0.655 0.000 0.941 472 G HN 0.383 nan 8.290 nan 0.000 0.554 473 P HA 0.645 nan 4.420 nan 0.000 0.275 473 P C -1.015 176.116 177.300 -0.283 0.000 1.228 473 P CA 0.032 63.070 63.100 -0.104 0.000 0.786 473 P CB 0.576 32.284 31.700 0.013 0.000 0.927 474 F N 0.735 120.742 119.950 0.094 0.000 2.588 474 F HA 0.538 5.065 4.527 -0.000 0.000 0.314 474 F C -0.259 175.715 175.800 0.290 0.000 1.134 474 F CA -0.577 57.444 58.000 0.034 0.000 0.961 474 F CB 2.045 40.936 39.000 -0.182 0.000 1.239 474 F HN 0.285 nan 8.300 nan 0.000 0.448 475 A N 4.507 127.609 122.820 0.470 0.000 2.331 475 A HA 0.902 5.222 4.320 -0.000 0.000 0.320 475 A C -1.112 176.724 177.584 0.420 0.000 1.138 475 A CA -0.554 51.727 52.037 0.407 0.000 0.790 475 A CB 0.836 19.943 19.000 0.178 0.000 1.206 475 A HN 0.700 nan 8.150 nan 0.000 0.470 476 I N 2.979 123.742 120.570 0.323 0.000 2.420 476 I HA 0.356 4.526 4.170 -0.000 0.000 0.282 476 I C 0.172 176.345 176.117 0.094 0.000 1.019 476 I CA -0.419 61.040 61.300 0.264 0.000 1.130 476 I CB 1.562 39.753 38.000 0.318 0.000 1.262 476 I HN 0.825 nan 8.210 nan 0.000 0.454 477 R N 6.288 126.769 120.500 -0.031 0.000 2.393 477 R HA 0.721 5.061 4.340 -0.000 0.000 0.310 477 R C -1.571 174.565 176.300 -0.273 0.000 0.968 477 R CA -0.665 55.293 56.100 -0.236 0.000 0.867 477 R CB 1.136 31.293 30.300 -0.239 0.000 1.124 477 R HN 0.530 nan 8.270 nan 0.000 0.450 478 Y N -0.543 119.520 120.300 -0.396 0.000 2.534 478 Y HA 0.730 5.280 4.550 -0.000 0.000 0.345 478 Y C -3.050 172.498 175.900 -0.586 0.000 1.031 478 Y CA -3.374 54.320 58.100 -0.678 0.000 1.022 478 Y CB 1.683 39.595 38.460 -0.913 0.000 1.292 478 Y HN 0.484 nan 8.280 nan 0.000 0.459 479 P HA 0.419 nan 4.420 nan 0.000 0.289 479 P C -0.975 176.252 177.300 -0.122 0.000 1.300 479 P CA -0.905 62.009 63.100 -0.310 0.000 0.828 479 P CB 1.392 32.945 31.700 -0.245 0.000 1.235 480 R N -0.181 120.290 120.500 -0.049 0.000 2.449 480 R HA 0.533 4.873 4.340 -0.000 0.000 0.296 480 R C 0.572 176.976 176.300 0.173 0.000 1.047 480 R CA 0.973 57.114 56.100 0.068 0.000 1.018 480 R CB -0.600 29.712 30.300 0.020 0.000 0.962 480 R HN 0.888 nan 8.270 nan 0.000 0.428 481 G N 2.221 111.195 108.800 0.291 0.000 2.356 481 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.300 481 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.300 481 G C -1.607 173.446 174.900 0.254 0.000 1.331 481 G CA -0.988 44.278 45.100 0.277 0.000 0.905 481 G HN 0.477 nan 8.290 nan 0.000 0.587 482 N N -0.625 118.127 118.700 0.086 0.000 2.476 482 N HA 0.846 5.585 4.740 -0.000 0.000 0.276 482 N C -0.349 174.994 175.510 -0.279 0.000 1.204 482 N CA -0.117 52.883 53.050 -0.084 0.000 0.974 482 N CB 1.837 40.312 38.487 -0.020 0.000 1.204 482 N HN 0.696 nan 8.380 nan 0.000 0.543 483 T N -1.083 113.218 114.554 -0.421 0.000 2.885 483 T HA 0.600 4.950 4.350 -0.000 0.000 0.322 483 T C -1.327 173.180 174.700 -0.323 0.000 1.387 483 T CA -0.675 61.121 62.100 -0.507 0.000 1.041 483 T CB 0.854 68.983 68.868 -1.233 0.000 1.287 483 T HN 0.565 nan 8.240 nan 0.000 0.491 484 A N 3.108 125.766 122.820 -0.271 0.000 2.566 484 A HA 0.279 4.599 4.320 -0.000 0.000 0.245 484 A C 0.559 177.937 177.584 -0.344 0.000 1.056 484 A CA 0.298 52.183 52.037 -0.253 0.000 0.757 484 A CB -0.231 18.658 19.000 -0.185 0.000 0.979 484 A HN 0.809 nan 8.150 nan 0.000 0.508 485 Q N 1.861 121.354 119.800 -0.513 0.000 2.392 485 Q HA 0.436 4.776 4.340 -0.000 0.000 0.262 485 Q C -0.771 174.987 176.000 -0.404 0.000 1.003 485 Q CA -0.141 55.201 55.803 -0.768 0.000 0.888 485 Q CB 0.586 28.628 28.738 -1.160 0.000 1.260 485 Q HN 0.580 nan 8.270 nan 0.000 0.435 486 V N 3.830 123.555 119.914 -0.315 0.000 2.864 486 V HA 0.512 4.632 4.120 -0.000 0.000 0.314 486 V C -2.212 173.781 176.094 -0.169 0.000 1.073 486 V CA -1.850 60.327 62.300 -0.206 0.000 0.956 486 V CB 1.310 33.028 31.823 -0.176 0.000 1.023 486 V HN 0.894 nan 8.190 nan 0.000 0.435 487 P HA 0.239 nan 4.420 nan 0.000 0.271 487 P C -0.258 176.996 177.300 -0.076 0.000 1.216 487 P CA 0.054 63.102 63.100 -0.086 0.000 0.776 487 P CB 0.685 32.349 31.700 -0.060 0.000 0.881 488 A N 2.251 125.052 122.820 -0.032 0.000 2.565 488 A HA 0.382 4.702 4.320 -0.000 0.000 0.237 488 A C 1.484 179.091 177.584 0.038 0.000 1.053 488 A CA 0.872 52.917 52.037 0.012 0.000 0.755 488 A CB -1.240 17.795 19.000 0.059 0.000 0.980 488 A HN 0.963 nan 8.150 nan 0.000 0.506 489 G N 1.513 110.367 108.800 0.091 0.000 2.195 489 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.224 489 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.224 489 G C 0.371 175.329 174.900 0.095 0.000 0.990 489 G CA 0.281 45.505 45.100 0.207 0.000 0.639 489 G HN 1.248 nan 8.290 nan 0.000 0.514 490 T N 0.616 115.041 114.554 -0.214 0.000 2.738 490 T HA 0.410 4.760 4.350 -0.000 0.000 0.293 490 T C -0.307 174.061 174.700 -0.552 0.000 0.913 490 T CA 0.517 62.465 62.100 -0.255 0.000 1.103 490 T CB 0.065 68.785 68.868 -0.246 0.000 0.880 490 T HN 0.362 nan 8.240 nan 0.000 0.526 491 W N 5.167 126.544 121.300 0.129 0.000 1.608 491 W HA 0.268 4.928 4.660 -0.000 0.000 0.308 491 W C -2.440 174.174 176.519 0.158 0.000 0.925 491 W CA -1.796 55.654 57.345 0.175 0.000 1.614 491 W CB 0.745 30.343 29.460 0.230 0.000 1.796 491 W HN 0.411 nan 8.180 nan 0.000 0.407 492 P HA 0.126 nan 4.420 nan 0.000 0.280 492 P C -0.018 177.436 177.300 0.257 0.000 1.244 492 P CA 0.243 63.473 63.100 0.217 0.000 0.784 492 P CB 1.409 33.188 31.700 0.131 0.000 0.913 493 D N 2.651 123.196 120.400 0.241 0.000 2.302 493 D HA 0.374 5.014 4.640 -0.000 0.000 0.248 493 D C 0.222 176.670 176.300 0.246 0.000 1.094 493 D CA 0.259 54.419 54.000 0.267 0.000 0.897 493 D CB 0.822 41.766 40.800 0.239 0.000 1.200 493 D HN 0.245 nan 8.370 nan 0.000 0.429 494 L N -1.065 120.336 121.223 0.298 0.000 2.424 494 L HA 0.530 4.869 4.340 -0.000 0.000 0.258 494 L C -0.750 176.264 176.870 0.239 0.000 0.995 494 L CA -1.170 53.820 54.840 0.250 0.000 0.821 494 L CB 1.400 43.603 42.059 0.240 0.000 1.383 494 L HN -0.168 nan 8.230 nan 0.000 0.410 495 K N 1.582 122.081 120.400 0.166 0.000 2.284 495 K HA 0.179 4.499 4.320 -0.000 0.000 0.287 495 K C -0.951 175.569 176.600 -0.133 0.000 1.081 495 K CA -0.106 56.227 56.287 0.077 0.000 0.910 495 K CB 1.058 33.616 32.500 0.095 0.000 1.088 495 K HN 0.768 nan 8.250 nan 0.000 0.478 496 W N 2.986 123.829 121.300 -0.762 0.000 2.485 496 W HA 0.249 4.909 4.660 -0.000 0.000 0.315 496 W C 0.317 176.278 176.519 -0.928 0.000 1.304 496 W CA 0.775 57.353 57.345 -1.278 0.000 1.345 496 W CB 0.215 28.766 29.460 -1.515 0.000 1.368 496 W HN 0.879 nan 8.180 nan 0.000 0.497 497 G N 3.795 111.926 108.800 -1.116 0.000 2.234 497 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.153 497 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.153 497 G C -0.413 174.411 174.900 -0.128 0.000 1.013 497 G CA -0.201 44.670 45.100 -0.382 0.000 0.712 497 G HN 0.517 nan 8.290 nan 0.000 0.491 498 E N 0.719 120.971 120.200 0.087 0.000 2.241 498 E HA 0.493 4.843 4.350 -0.000 0.000 0.263 498 E C -0.594 176.223 176.600 0.361 0.000 0.882 498 E CA -1.108 55.361 56.400 0.116 0.000 0.769 498 E CB 1.190 30.926 29.700 0.061 0.000 1.185 498 E HN 0.095 nan 8.360 nan 0.000 0.415 499 W N 2.333 123.690 121.300 0.096 0.000 2.303 499 W HA 0.361 5.020 4.660 -0.000 0.000 0.334 499 W C 0.350 176.867 176.519 -0.004 0.000 1.197 499 W CA -0.744 56.606 57.345 0.008 0.000 1.262 499 W CB 0.527 29.988 29.460 0.003 0.000 1.153 499 W HN 0.412 nan 8.180 nan 0.000 0.596 500 E N 1.495 121.806 120.200 0.186 0.000 2.151 500 E HA 0.182 4.532 4.350 -0.000 0.000 0.275 500 E C -0.214 176.432 176.600 0.076 0.000 0.936 500 E CA -1.135 55.325 56.400 0.100 0.000 0.777 500 E CB 1.627 31.352 29.700 0.043 0.000 1.108 500 E HN 0.273 nan 8.360 nan 0.000 0.401 501 R N 3.382 123.930 120.500 0.081 0.000 2.399 501 R HA 0.014 4.354 4.340 -0.000 0.000 0.324 501 R C 0.585 176.900 176.300 0.026 0.000 1.030 501 R CA -0.095 56.041 56.100 0.060 0.000 0.984 501 R CB 0.214 30.552 30.300 0.063 0.000 0.961 501 R HN 0.276 nan 8.270 nan 0.000 0.433 502 L N 3.512 124.737 121.223 0.004 0.000 2.556 502 L HA 0.287 4.627 4.340 -0.000 0.000 0.226 502 L C -0.074 176.792 176.870 -0.006 0.000 1.089 502 L CA 1.199 56.033 54.840 -0.010 0.000 0.864 502 L CB -0.052 41.986 42.059 -0.035 0.000 1.067 502 L HN 0.500 nan 8.230 nan 0.000 0.477 503 K N -1.002 119.398 120.400 -0.001 0.000 2.535 503 K HA 0.512 4.832 4.320 -0.000 0.000 0.251 503 K C -0.363 176.243 176.600 0.011 0.000 0.942 503 K CA -0.371 55.917 56.287 0.002 0.000 0.798 503 K CB 1.572 34.070 32.500 -0.003 0.000 1.267 503 K HN 0.024 nan 8.250 nan 0.000 0.434 504 G N 0.326 109.134 108.800 0.012 0.000 2.599 504 G HA2 0.566 4.525 3.960 -0.000 0.000 0.264 504 G HA3 0.566 4.525 3.960 -0.000 0.000 0.264 504 G C -0.082 174.827 174.900 0.016 0.000 1.200 504 G CA 0.086 45.196 45.100 0.016 0.000 0.896 504 G HN 0.809 nan 8.290 nan 0.000 0.536 505 G N 0.440 109.251 108.800 0.019 0.000 3.438 505 G HA2 0.296 4.256 3.960 -0.000 0.000 0.684 505 G HA3 0.296 4.256 3.960 -0.000 0.000 0.684 505 G C -0.296 174.616 174.900 0.021 0.000 1.192 505 G CA 0.193 45.303 45.100 0.017 0.000 1.013 505 G HN 1.070 nan 8.290 nan 0.000 0.530 506 D N 1.649 122.061 120.400 0.021 0.000 2.206 506 D HA 0.528 5.168 4.640 -0.000 0.000 0.272 506 D C 1.213 177.524 176.300 0.019 0.000 1.196 506 D CA 1.041 55.055 54.000 0.023 0.000 1.012 506 D CB 0.386 41.199 40.800 0.021 0.000 1.139 506 D HN 0.906 nan 8.370 nan 0.000 0.522 507 D N -2.228 118.183 120.400 0.018 0.000 4.428 507 D HA -0.226 4.414 4.640 -0.000 0.000 0.207 507 D C -0.680 175.630 176.300 0.017 0.000 0.964 507 D CA 2.222 56.231 54.000 0.016 0.000 2.109 507 D CB -0.989 39.818 40.800 0.013 0.000 1.140 507 D HN 0.305 nan 8.370 nan 0.000 0.408 508 V N 0.970 120.894 119.914 0.016 0.000 2.407 508 V HA 0.620 4.740 4.120 -0.000 0.000 0.291 508 V C -0.055 176.049 176.094 0.018 0.000 1.018 508 V CA -0.722 61.588 62.300 0.016 0.000 0.842 508 V CB 1.815 33.644 31.823 0.011 0.000 0.996 508 V HN 0.311 nan 8.190 nan 0.000 0.426 509 V N 5.983 125.911 119.914 0.024 0.000 2.540 509 V HA 0.538 4.658 4.120 -0.000 0.000 0.302 509 V C -0.086 176.022 176.094 0.024 0.000 1.035 509 V CA -0.597 61.720 62.300 0.028 0.000 0.873 509 V CB 1.980 33.830 31.823 0.046 0.000 0.992 509 V HN 0.675 nan 8.190 nan 0.000 0.428 510 I N 5.640 126.217 120.570 0.012 0.000 2.472 510 I HA 0.477 4.647 4.170 -0.000 0.000 0.290 510 I C -0.343 175.766 176.117 -0.013 0.000 1.016 510 I CA -0.393 60.907 61.300 0.001 0.000 1.348 510 I CB 1.178 39.171 38.000 -0.012 0.000 1.417 510 I HN 0.535 nan 8.210 nan 0.000 0.521 511 L N 4.172 125.387 121.223 -0.012 0.000 2.438 511 L HA 1.029 5.368 4.340 -0.000 0.000 0.270 511 L C -0.785 176.030 176.870 -0.091 0.000 0.972 511 L CA -0.503 54.291 54.840 -0.078 0.000 0.831 511 L CB 1.748 43.777 42.059 -0.050 0.000 1.273 511 L HN 0.714 nan 8.230 nan 0.000 0.405 512 A N 1.878 124.514 122.820 -0.307 0.000 2.540 512 A HA 0.973 5.293 4.320 -0.000 0.000 0.291 512 A C -0.837 176.435 177.584 -0.520 0.000 1.083 512 A CA -0.081 51.698 52.037 -0.431 0.000 0.650 512 A CB 1.408 20.261 19.000 -0.245 0.000 1.292 512 A HN 1.227 nan 8.150 nan 0.000 0.435 513 G N -1.554 106.922 108.800 -0.540 0.000 2.720 513 G HA2 0.809 4.769 3.960 -0.000 0.000 0.295 513 G HA3 0.809 4.769 3.960 -0.000 0.000 0.295 513 G C 0.467 175.128 174.900 -0.398 0.000 1.437 513 G CA 0.915 45.733 45.100 -0.471 0.000 0.886 513 G HN 2.575 nan 8.290 nan 0.000 0.509 514 G N 0.931 109.535 108.800 -0.327 0.000 2.536 514 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.277 514 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.277 514 G C 1.309 176.040 174.900 -0.282 0.000 1.155 514 G CA 1.125 46.044 45.100 -0.301 0.000 0.960 514 G HN 1.145 nan 8.290 nan 0.000 0.544 515 K N 0.775 120.975 120.400 -0.333 0.000 2.025 515 K HA 0.368 4.688 4.320 -0.000 0.000 0.207 515 K C 3.006 179.235 176.600 -0.619 0.000 1.049 515 K CA 2.387 58.406 56.287 -0.448 0.000 0.933 515 K CB -0.781 31.483 32.500 -0.393 0.000 0.714 515 K HN 1.103 nan 8.250 nan 0.000 0.438 516 A N 0.385 122.931 122.820 -0.458 0.000 2.139 516 A HA -0.154 4.166 4.320 -0.000 0.000 0.221 516 A C 2.003 179.424 177.584 -0.271 0.000 1.159 516 A CA 1.410 53.242 52.037 -0.342 0.000 0.662 516 A CB -0.534 18.294 19.000 -0.287 0.000 0.796 516 A HN 0.368 nan 8.150 nan 0.000 0.463 517 L N -0.645 120.404 121.223 -0.290 0.000 2.084 517 L HA -0.033 4.307 4.340 -0.000 0.000 0.202 517 L C 1.801 178.579 176.870 -0.154 0.000 1.074 517 L CA 1.834 56.547 54.840 -0.213 0.000 0.757 517 L CB -0.342 41.588 42.059 -0.214 0.000 0.918 517 L HN 0.269 nan 8.230 nan 0.000 0.444 518 D N -0.670 119.612 120.400 -0.197 0.000 2.133 518 D HA -0.287 4.353 4.640 -0.000 0.000 0.192 518 D C 2.131 178.445 176.300 0.024 0.000 1.001 518 D CA 2.164 56.096 54.000 -0.113 0.000 0.844 518 D CB -0.476 40.221 40.800 -0.172 0.000 0.944 518 D HN 0.513 nan 8.370 nan 0.000 0.447 519 Y N 1.006 121.261 120.300 -0.074 0.000 2.242 519 Y HA -0.087 4.463 4.550 -0.000 0.000 0.291 519 Y C 2.686 178.545 175.900 -0.068 0.000 1.137 519 Y CA 0.256 58.313 58.100 -0.072 0.000 1.181 519 Y CB -0.124 38.273 38.460 -0.104 0.000 0.989 519 Y HN -0.066 nan 8.280 nan 0.000 0.527 520 A N 0.756 123.613 122.820 0.062 0.000 1.908 520 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 520 A C 2.189 179.775 177.584 0.003 0.000 1.181 520 A CA 1.464 53.505 52.037 0.007 0.000 0.627 520 A CB -1.047 17.924 19.000 -0.049 0.000 0.818 520 A HN 0.451 nan 8.150 nan 0.000 0.445 521 L N -0.895 120.326 121.223 -0.004 0.000 2.017 521 L HA -0.181 4.158 4.340 -0.000 0.000 0.208 521 L C 2.517 179.395 176.870 0.013 0.000 1.073 521 L CA 1.323 56.161 54.840 -0.003 0.000 0.745 521 L CB -0.499 41.552 42.059 -0.012 0.000 0.894 521 L HN 0.187 nan 8.230 nan 0.000 0.432 522 K N 0.411 120.833 120.400 0.037 0.000 2.160 522 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 522 K C 2.095 178.705 176.600 0.018 0.000 1.047 522 K CA 1.540 57.849 56.287 0.037 0.000 0.930 522 K CB -0.611 31.929 32.500 0.067 0.000 0.720 522 K HN 0.333 nan 8.250 nan 0.000 0.450 523 A N 0.789 123.620 122.820 0.017 0.000 1.969 523 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 523 A C 1.798 179.383 177.584 0.001 0.000 1.169 523 A CA 1.539 53.579 52.037 0.004 0.000 0.635 523 A CB -0.224 18.778 19.000 0.004 0.000 0.810 523 A HN 0.226 nan 8.150 nan 0.000 0.445 524 A N -0.358 122.463 122.820 0.002 0.000 2.797 524 A HA 0.359 4.679 4.320 -0.000 0.000 0.287 524 A C 1.216 178.800 177.584 0.000 0.000 1.369 524 A CA -0.147 51.890 52.037 -0.000 0.000 0.968 524 A CB -0.286 18.713 19.000 -0.002 0.000 1.069 524 A HN 0.366 nan 8.150 nan 0.000 0.571 525 E N 0.960 121.160 120.200 0.001 0.000 2.005 525 E HA -0.147 4.203 4.350 -0.000 0.000 0.198 525 E C -0.341 176.259 176.600 -0.000 0.000 1.010 525 E CA 1.249 57.649 56.400 0.000 0.000 0.825 525 E CB -0.075 29.625 29.700 0.000 0.000 0.769 525 E HN 0.567 nan 8.360 nan 0.000 0.456 526 D N -0.205 120.195 120.400 -0.001 0.000 2.795 526 D HA 0.291 4.931 4.640 -0.000 0.000 0.335 526 D C -0.919 175.380 176.300 -0.001 0.000 1.262 526 D CA 0.007 54.007 54.000 -0.001 0.000 0.885 526 D CB 0.157 40.956 40.800 -0.001 0.000 1.047 526 D HN -0.076 nan 8.370 nan 0.000 0.500 527 L N 1.819 123.042 121.223 0.000 0.000 2.401 527 L HA 0.353 4.693 4.340 -0.000 0.000 0.263 527 L C -1.388 175.483 176.870 0.002 0.000 1.004 527 L CA -1.491 53.350 54.840 0.001 0.000 0.881 527 L CB 2.144 44.204 42.059 0.000 0.000 1.219 527 L HN -0.040 nan 8.230 nan 0.000 0.441 528 P HA -0.116 nan 4.420 nan 0.000 0.218 528 P C 1.325 178.628 177.300 0.005 0.000 1.149 528 P CA 1.106 64.208 63.100 0.003 0.000 0.817 528 P CB 0.428 32.130 31.700 0.003 0.000 0.785 529 G N -0.114 108.689 108.800 0.005 0.000 2.551 529 G HA2 0.035 3.995 3.960 -0.000 0.000 0.216 529 G HA3 0.035 3.995 3.960 -0.000 0.000 0.216 529 G C 0.530 175.435 174.900 0.008 0.000 1.137 529 G CA 0.034 45.138 45.100 0.007 0.000 0.798 529 G HN 0.191 nan 8.290 nan 0.000 0.536 530 V N 1.058 120.976 119.914 0.006 0.000 2.461 530 V HA 0.611 4.731 4.120 -0.000 0.000 0.275 530 V C 0.727 176.825 176.094 0.006 0.000 1.047 530 V CA -0.185 62.118 62.300 0.006 0.000 0.955 530 V CB 1.049 32.874 31.823 0.003 0.000 0.988 530 V HN 0.208 nan 8.190 nan 0.000 0.471 531 G N 3.377 112.182 108.800 0.009 0.000 2.495 531 G HA2 0.632 4.592 3.960 -0.000 0.000 0.318 531 G HA3 0.632 4.592 3.960 -0.000 0.000 0.318 531 G C -1.211 173.692 174.900 0.005 0.000 1.257 531 G CA -0.505 44.601 45.100 0.010 0.000 0.962 531 G HN 0.551 nan 8.290 nan 0.000 0.483 532 V N 1.602 121.513 119.914 -0.004 0.000 2.459 532 V HA 0.496 4.616 4.120 -0.000 0.000 0.295 532 V C -0.142 175.937 176.094 -0.025 0.000 1.029 532 V CA -0.709 61.577 62.300 -0.023 0.000 0.874 532 V CB 1.492 33.293 31.823 -0.036 0.000 0.985 532 V HN 0.533 nan 8.190 nan 0.000 0.438 533 V N 3.490 123.378 119.914 -0.044 0.000 2.459 533 V HA 0.375 4.495 4.120 -0.000 0.000 0.295 533 V C 0.189 176.167 176.094 -0.192 0.000 1.029 533 V CA -0.814 61.455 62.300 -0.052 0.000 0.874 533 V CB 1.835 33.687 31.823 0.048 0.000 0.985 533 V HN 0.880 nan 8.190 nan 0.000 0.438 534 N N 3.604 122.189 118.700 -0.192 0.000 2.406 534 N HA 0.201 4.941 4.740 -0.000 0.000 0.269 534 N C 0.988 176.162 175.510 -0.560 0.000 1.210 534 N CA 0.462 53.320 53.050 -0.320 0.000 0.966 534 N CB 1.443 39.789 38.487 -0.235 0.000 1.293 534 N HN 0.799 nan 8.380 nan 0.000 0.491 535 A N 4.153 126.452 122.820 -0.869 0.000 1.972 535 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 535 A C 1.751 178.654 177.584 -1.135 0.000 1.169 535 A CA 1.469 52.571 52.037 -1.558 0.000 0.635 535 A CB -0.433 17.741 19.000 -1.376 0.000 0.810 535 A HN 0.942 nan 8.150 nan 0.000 0.446 536 R N -3.068 116.955 120.500 -0.795 0.000 1.732 536 R HA -0.267 4.073 4.340 -0.000 0.000 0.091 536 R C -0.910 174.839 176.300 -0.918 0.000 0.933 536 R CA 2.226 57.840 56.100 -0.809 0.000 1.938 536 R CB -1.501 28.304 30.300 -0.826 0.000 0.530 536 R HN 0.520 nan 8.270 nan 0.000 0.704 537 F N -0.336 119.489 119.950 -0.207 0.000 2.477 537 F HA 0.349 4.876 4.527 -0.000 0.000 0.335 537 F C 1.065 176.926 175.800 0.101 0.000 1.130 537 F CA -0.939 56.971 58.000 -0.149 0.000 0.948 537 F CB 2.157 41.028 39.000 -0.215 0.000 1.154 537 F HN -0.222 nan 8.300 nan 0.000 0.439 538 V N 1.861 121.909 119.914 0.223 0.000 3.354 538 V HA 0.046 4.166 4.120 -0.000 0.000 0.258 538 V C 0.186 176.458 176.094 0.296 0.000 1.159 538 V CA 0.753 63.224 62.300 0.286 0.000 1.125 538 V CB -0.213 31.706 31.823 0.161 0.000 0.774 538 V HN 0.652 nan 8.190 nan 0.000 0.464 539 K N 1.253 121.827 120.400 0.290 0.000 2.651 539 K HA 0.338 4.657 4.320 -0.000 0.000 0.259 539 K C -3.134 173.649 176.600 0.304 0.000 1.017 539 K CA -1.338 55.095 56.287 0.243 0.000 0.897 539 K CB 2.607 35.214 32.500 0.178 0.000 1.262 539 K HN -0.088 nan 8.250 nan 0.000 0.460 540 P HA 0.151 nan 4.420 nan 0.000 0.275 540 P C -0.384 177.017 177.300 0.169 0.000 1.266 540 P CA -0.489 62.694 63.100 0.139 0.000 0.793 540 P CB 0.781 32.523 31.700 0.069 0.000 1.074 541 L N -0.173 121.131 121.223 0.135 0.000 2.479 541 L HA 0.294 4.634 4.340 -0.000 0.000 0.249 541 L C 1.011 177.754 176.870 -0.211 0.000 1.178 541 L CA -0.172 54.758 54.840 0.149 0.000 0.811 541 L CB -0.151 42.000 42.059 0.154 0.000 1.187 541 L HN 0.271 nan 8.230 nan 0.000 0.480 542 D N -0.047 119.860 120.400 -0.821 0.000 2.411 542 D HA 0.077 4.717 4.640 -0.000 0.000 0.225 542 D C 0.694 176.607 176.300 -0.646 0.000 1.156 542 D CA -0.070 53.385 54.000 -0.910 0.000 0.874 542 D CB 0.841 40.736 40.800 -1.508 0.000 1.034 542 D HN 0.458 nan 8.370 nan 0.000 0.502 543 E N 2.763 122.761 120.200 -0.335 0.000 2.046 543 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 543 E C 1.207 177.695 176.600 -0.186 0.000 0.982 543 E CA 0.470 56.742 56.400 -0.214 0.000 0.800 543 E CB 0.235 29.858 29.700 -0.129 0.000 0.756 543 E HN 0.514 nan 8.360 nan 0.000 0.449 544 E N 0.993 121.090 120.200 -0.171 0.000 2.065 544 E HA -0.227 4.123 4.350 -0.000 0.000 0.201 544 E C 2.053 178.577 176.600 -0.126 0.000 1.016 544 E CA 1.311 57.638 56.400 -0.122 0.000 0.818 544 E CB -0.303 29.338 29.700 -0.098 0.000 0.749 544 E HN 0.241 nan 8.360 nan 0.000 0.453 545 M N 0.051 119.533 119.600 -0.197 0.000 2.156 545 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 545 M C 2.246 178.489 176.300 -0.095 0.000 1.067 545 M CA 0.846 56.065 55.300 -0.136 0.000 1.131 545 M CB 0.033 32.541 32.600 -0.154 0.000 1.368 545 M HN 0.083 nan 8.290 nan 0.000 0.416 546 L N 0.203 121.313 121.223 -0.188 0.000 2.141 546 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 546 L C 2.382 179.229 176.870 -0.038 0.000 1.094 546 L CA 1.714 56.511 54.840 -0.071 0.000 0.763 546 L CB -0.577 41.413 42.059 -0.114 0.000 0.908 546 L HN 0.247 nan 8.230 nan 0.000 0.437 547 R N -0.446 120.016 120.500 -0.063 0.000 2.096 547 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 547 R C 2.219 178.508 176.300 -0.020 0.000 1.127 547 R CA 1.423 57.498 56.100 -0.042 0.000 0.968 547 R CB -0.204 30.067 30.300 -0.048 0.000 0.861 547 R HN 0.379 nan 8.270 nan 0.000 0.440 548 E N -0.300 119.890 120.200 -0.016 0.000 2.028 548 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 548 E C 2.004 178.616 176.600 0.019 0.000 0.988 548 E CA 1.824 58.225 56.400 0.002 0.000 0.799 548 E CB -0.193 29.510 29.700 0.004 0.000 0.755 548 E HN 0.359 nan 8.360 nan 0.000 0.447 549 V N -1.191 118.745 119.914 0.036 0.000 2.323 549 V HA 0.007 4.127 4.120 -0.000 0.000 0.244 549 V C 2.353 178.470 176.094 0.039 0.000 1.041 549 V CA 1.955 64.286 62.300 0.052 0.000 1.025 549 V CB -1.513 30.366 31.823 0.093 0.000 0.656 549 V HN 0.181 nan 8.190 nan 0.000 0.451 550 G N 0.833 109.652 108.800 0.031 0.000 2.421 550 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.216 550 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.216 550 G C 1.584 176.491 174.900 0.012 0.000 1.171 550 G CA 1.084 46.194 45.100 0.016 0.000 0.775 550 G HN 0.785 nan 8.290 nan 0.000 0.543 551 G N 1.285 110.090 108.800 0.008 0.000 2.553 551 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 551 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 551 G C 1.268 176.177 174.900 0.015 0.000 1.195 551 G CA 1.051 46.156 45.100 0.009 0.000 0.779 551 G HN 0.696 nan 8.290 nan 0.000 0.577 552 R N -1.038 119.472 120.500 0.017 0.000 2.748 552 R HA 0.745 5.085 4.340 -0.000 0.000 0.283 552 R C -0.786 175.526 176.300 0.020 0.000 1.507 552 R CA -0.048 56.063 56.100 0.018 0.000 1.666 552 R CB 0.876 31.185 30.300 0.015 0.000 1.237 552 R HN 0.323 nan 8.270 nan 0.000 0.633 553 A N 1.554 124.387 122.820 0.022 0.000 2.488 553 A HA 0.387 4.707 4.320 -0.000 0.000 0.295 553 A C 0.262 177.859 177.584 0.021 0.000 1.045 553 A CA -0.941 51.110 52.037 0.022 0.000 0.703 553 A CB 1.625 20.641 19.000 0.028 0.000 1.271 553 A HN 0.490 nan 8.150 nan 0.000 0.400 554 R N 0.666 121.177 120.500 0.018 0.000 2.091 554 R HA -0.018 4.322 4.340 -0.000 0.000 0.238 554 R C 0.595 176.905 176.300 0.017 0.000 1.136 554 R CA 1.990 58.100 56.100 0.017 0.000 0.959 554 R CB 0.016 30.324 30.300 0.013 0.000 0.856 554 R HN 1.061 nan 8.270 nan 0.000 0.437 555 A N -0.116 122.714 122.820 0.017 0.000 2.549 555 A HA 0.613 4.933 4.320 -0.000 0.000 0.297 555 A C -1.399 176.196 177.584 0.018 0.000 1.061 555 A CA -0.750 51.296 52.037 0.015 0.000 0.690 555 A CB 1.497 20.503 19.000 0.011 0.000 1.287 555 A HN 0.141 nan 8.150 nan 0.000 0.402 556 L N 1.052 122.284 121.223 0.015 0.000 2.354 556 L HA 0.722 5.062 4.340 -0.000 0.000 0.269 556 L C -0.958 175.917 176.870 0.010 0.000 1.005 556 L CA -0.524 54.327 54.840 0.018 0.000 0.819 556 L CB 2.080 44.152 42.059 0.022 0.000 1.311 556 L HN 0.601 nan 8.230 nan 0.000 0.423 557 I N 1.106 121.684 120.570 0.013 0.000 2.468 557 I HA 0.303 4.473 4.170 -0.000 0.000 0.285 557 I C -0.283 175.848 176.117 0.023 0.000 1.039 557 I CA -0.303 61.003 61.300 0.010 0.000 1.074 557 I CB 2.255 40.260 38.000 0.008 0.000 1.228 557 I HN 0.606 nan 8.210 nan 0.000 0.436 558 T N 3.795 118.364 114.554 0.026 0.000 2.771 558 T HA 0.743 5.093 4.350 -0.000 0.000 0.281 558 T C -0.461 174.299 174.700 0.101 0.000 0.982 558 T CA -0.645 61.514 62.100 0.098 0.000 0.978 558 T CB 1.411 70.287 68.868 0.014 0.000 0.930 558 T HN 0.173 nan 8.240 nan 0.000 0.447 559 V N 4.251 124.226 119.914 0.102 0.000 2.513 559 V HA 0.642 4.761 4.120 -0.000 0.000 0.299 559 V C -0.171 175.928 176.094 0.008 0.000 1.035 559 V CA -0.868 61.448 62.300 0.028 0.000 0.889 559 V CB 1.315 33.121 31.823 -0.028 0.000 0.988 559 V HN 1.087 nan 8.190 nan 0.000 0.440 560 E N 1.547 121.743 120.200 -0.007 0.000 2.278 560 E HA 0.374 4.724 4.350 -0.000 0.000 0.272 560 E C -1.280 175.259 176.600 -0.102 0.000 0.890 560 E CA -0.778 55.585 56.400 -0.061 0.000 0.770 560 E CB 2.127 31.864 29.700 0.061 0.000 1.212 560 E HN 0.438 nan 8.360 nan 0.000 0.415 561 D N 2.648 122.950 120.400 -0.163 0.000 2.934 561 D HA 0.172 4.811 4.640 -0.000 0.000 0.237 561 D C -1.156 175.067 176.300 -0.129 0.000 1.158 561 D CA 0.366 54.286 54.000 -0.133 0.000 0.971 561 D CB -0.620 40.081 40.800 -0.164 0.000 1.123 561 D HN 0.548 nan 8.370 nan 0.000 0.467 562 N N -1.016 117.614 118.700 -0.116 0.000 2.745 562 N HA 0.151 4.891 4.740 -0.000 0.000 0.256 562 N C -1.024 174.414 175.510 -0.119 0.000 1.268 562 N CA -0.702 52.260 53.050 -0.148 0.000 0.887 562 N CB 1.389 39.806 38.487 -0.117 0.000 1.575 562 N HN -0.131 nan 8.380 nan 0.000 0.496 563 T N 0.549 115.006 114.554 -0.163 0.000 2.908 563 T HA 0.013 4.363 4.350 -0.000 0.000 0.325 563 T C 1.437 176.123 174.700 -0.022 0.000 1.092 563 T CA -0.013 62.033 62.100 -0.089 0.000 1.125 563 T CB 0.291 69.141 68.868 -0.030 0.000 1.016 563 T HN 0.275 nan 8.240 nan 0.000 0.550 564 V N 4.006 123.913 119.914 -0.012 0.000 2.469 564 V HA -0.064 4.056 4.120 -0.000 0.000 0.251 564 V C 1.088 177.185 176.094 0.006 0.000 1.064 564 V CA 1.300 63.599 62.300 -0.002 0.000 1.066 564 V CB -0.425 31.395 31.823 -0.005 0.000 0.667 564 V HN 0.754 nan 8.190 nan 0.000 0.461 565 V N 0.632 120.558 119.914 0.020 0.000 2.455 565 V HA 0.596 4.716 4.120 -0.000 0.000 0.273 565 V C 1.404 177.519 176.094 0.035 0.000 1.045 565 V CA 0.218 62.533 62.300 0.025 0.000 0.976 565 V CB -0.109 31.733 31.823 0.032 0.000 0.993 565 V HN 0.573 nan 8.190 nan 0.000 0.475 566 G N 3.411 112.224 108.800 0.021 0.000 2.258 566 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.274 566 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.274 566 G C 0.540 175.456 174.900 0.026 0.000 1.021 566 G CA 0.455 45.569 45.100 0.024 0.000 0.798 566 G HN 1.326 nan 8.290 nan 0.000 0.507 567 G N -1.115 107.698 108.800 0.022 0.000 2.849 567 G HA2 0.558 4.518 3.960 -0.000 0.000 0.174 567 G HA3 0.558 4.518 3.960 -0.000 0.000 0.174 567 G C 0.818 175.759 174.900 0.068 0.000 1.370 567 G CA 0.178 45.301 45.100 0.039 0.000 1.040 567 G HN 0.528 nan 8.290 nan 0.000 0.582 568 F N 1.280 121.202 119.950 -0.048 0.000 2.113 568 F HA 0.078 4.605 4.527 -0.000 0.000 0.297 568 F C 2.467 178.255 175.800 -0.020 0.000 1.103 568 F CA 2.190 60.166 58.000 -0.041 0.000 1.248 568 F CB -0.545 38.404 39.000 -0.085 0.000 0.999 568 F HN 0.314 nan 8.300 nan 0.000 0.475 569 G N -0.421 108.219 108.800 -0.268 0.000 2.448 569 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.219 569 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.219 569 G C 1.863 176.622 174.900 -0.235 0.000 1.127 569 G CA 0.662 45.561 45.100 -0.335 0.000 0.766 569 G HN 0.653 nan 8.290 nan 0.000 0.552 570 G N 0.869 109.587 108.800 -0.137 0.000 2.403 570 G HA2 0.140 4.100 3.960 -0.000 0.000 0.216 570 G HA3 0.140 4.100 3.960 -0.000 0.000 0.216 570 G C 2.012 176.857 174.900 -0.091 0.000 1.154 570 G CA 1.303 46.353 45.100 -0.084 0.000 0.784 570 G HN 0.564 nan 8.290 nan 0.000 0.538 571 A N 0.317 123.076 122.820 -0.102 0.000 1.902 571 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 571 A C 2.574 180.097 177.584 -0.102 0.000 1.181 571 A CA 1.780 53.778 52.037 -0.065 0.000 0.623 571 A CB -0.638 18.363 19.000 0.003 0.000 0.818 571 A HN 0.237 nan 8.150 nan 0.000 0.443 572 V N -0.467 119.310 119.914 -0.229 0.000 2.407 572 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 572 V C 2.503 178.524 176.094 -0.121 0.000 1.055 572 V CA 1.828 64.011 62.300 -0.195 0.000 1.049 572 V CB -0.693 30.909 31.823 -0.368 0.000 0.662 572 V HN 0.480 nan 8.190 nan 0.000 0.455 573 L N -0.182 120.966 121.223 -0.125 0.000 2.046 573 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 573 L C 2.419 179.246 176.870 -0.072 0.000 1.077 573 L CA 1.836 56.623 54.840 -0.088 0.000 0.747 573 L CB -0.809 41.205 42.059 -0.074 0.000 0.896 573 L HN 0.361 nan 8.230 nan 0.000 0.432 574 E N -1.153 119.011 120.200 -0.060 0.000 2.150 574 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 574 E C 2.177 178.750 176.600 -0.045 0.000 0.985 574 E CA 0.997 57.371 56.400 -0.043 0.000 0.814 574 E CB -0.126 29.558 29.700 -0.027 0.000 0.752 574 E HN 0.526 nan 8.360 nan 0.000 0.466 575 A N 0.794 123.585 122.820 -0.049 0.000 1.903 575 A HA -0.041 4.279 4.320 -0.000 0.000 0.213 575 A C 2.107 179.650 177.584 -0.068 0.000 1.185 575 A CA 0.454 52.461 52.037 -0.050 0.000 0.628 575 A CB -0.449 18.526 19.000 -0.040 0.000 0.830 575 A HN 0.125 nan 8.150 nan 0.000 0.446 576 L N 0.065 121.242 121.223 -0.077 0.000 2.129 576 L HA -0.247 4.092 4.340 -0.000 0.000 0.212 576 L C 2.548 179.326 176.870 -0.153 0.000 1.087 576 L CA 1.617 56.394 54.840 -0.104 0.000 0.757 576 L CB -0.499 41.501 42.059 -0.099 0.000 0.896 576 L HN 0.603 nan 8.230 nan 0.000 0.434 577 N N -0.605 118.017 118.700 -0.129 0.000 2.135 577 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 577 N C 1.984 177.432 175.510 -0.103 0.000 1.027 577 N CA 1.568 54.536 53.050 -0.136 0.000 0.849 577 N CB 0.180 38.620 38.487 -0.077 0.000 1.002 577 N HN 0.323 nan 8.380 nan 0.000 0.425 578 S N 0.175 115.833 115.700 -0.070 0.000 2.461 578 S HA 0.026 4.496 4.470 -0.000 0.000 0.228 578 S C 1.805 176.376 174.600 -0.049 0.000 1.005 578 S CA 0.326 58.498 58.200 -0.048 0.000 0.942 578 S CB -0.216 62.963 63.200 -0.034 0.000 0.776 578 S HN 0.282 nan 8.310 nan 0.000 0.514 579 M N 1.647 121.208 119.600 -0.064 0.000 2.659 579 M HA 0.174 4.654 4.480 -0.000 0.000 0.243 579 M C 0.160 176.422 176.300 -0.062 0.000 1.111 579 M CA 0.076 55.342 55.300 -0.057 0.000 1.070 579 M CB -0.670 31.894 32.600 -0.061 0.000 1.525 579 M HN 0.262 nan 8.290 nan 0.000 0.517 580 N N 2.294 120.940 118.700 -0.090 0.000 2.501 580 N HA -0.153 4.586 4.740 -0.000 0.000 0.291 580 N C -1.575 173.851 175.510 -0.139 0.000 1.304 580 N CA 0.605 53.594 53.050 -0.102 0.000 0.686 580 N CB -0.459 38.029 38.487 0.002 0.000 0.924 580 N HN 0.354 nan 8.380 nan 0.000 0.533 581 L N 2.584 123.584 121.223 -0.371 0.000 2.588 581 L HA 0.266 4.606 4.340 -0.000 0.000 0.263 581 L C -1.289 175.323 176.870 -0.431 0.000 0.935 581 L CA -0.573 54.123 54.840 -0.240 0.000 0.891 581 L CB 1.485 43.470 42.059 -0.124 0.000 1.318 581 L HN 0.386 nan 8.230 nan 0.000 0.409 582 H N 3.172 122.239 119.070 -0.005 0.000 2.541 582 H HA 0.475 5.030 4.556 -0.000 0.000 0.246 582 H C -2.286 173.040 175.328 -0.003 0.000 1.341 582 H CA -1.135 54.910 56.048 -0.005 0.000 1.469 582 H CB 0.360 30.119 29.762 -0.005 0.000 1.472 582 H HN 0.356 nan 8.280 nan 0.000 0.503 583 P HA 0.372 nan 4.420 nan 0.000 0.304 583 P C -0.265 177.056 177.300 0.035 0.000 1.310 583 P CA -0.870 62.256 63.100 0.042 0.000 0.796 583 P CB 1.069 32.782 31.700 0.020 0.000 1.297 584 T N 0.039 114.607 114.554 0.024 0.000 2.832 584 T HA 0.454 4.804 4.350 -0.000 0.000 0.296 584 T C -0.317 174.388 174.700 0.008 0.000 0.968 584 T CA -0.213 61.897 62.100 0.016 0.000 1.107 584 T CB 0.152 69.028 68.868 0.013 0.000 0.916 584 T HN 0.206 nan 8.240 nan 0.000 0.517 585 V N 4.109 124.024 119.914 0.002 0.000 2.567 585 V HA 0.467 4.586 4.120 -0.000 0.000 0.298 585 V C -0.311 175.777 176.094 -0.011 0.000 1.047 585 V CA -1.158 61.137 62.300 -0.009 0.000 0.880 585 V CB 1.616 33.425 31.823 -0.023 0.000 1.009 585 V HN 0.689 nan 8.190 nan 0.000 0.429 586 R N 2.748 123.243 120.500 -0.008 0.000 2.229 586 R HA 0.579 4.919 4.340 -0.000 0.000 0.328 586 R C -0.811 175.482 176.300 -0.012 0.000 1.009 586 R CA -0.517 55.578 56.100 -0.008 0.000 0.864 586 R CB 2.012 32.310 30.300 -0.003 0.000 1.085 586 R HN 0.563 nan 8.270 nan 0.000 0.453 587 V N 6.016 125.921 119.914 -0.016 0.000 2.385 587 V HA 0.330 4.450 4.120 -0.000 0.000 0.269 587 V C 0.424 176.517 176.094 -0.002 0.000 1.043 587 V CA -0.503 61.788 62.300 -0.014 0.000 0.906 587 V CB 1.005 32.811 31.823 -0.028 0.000 0.995 587 V HN 0.480 nan 8.190 nan 0.000 0.467 588 L N 5.040 126.268 121.223 0.008 0.000 2.322 588 L HA 1.004 5.344 4.340 -0.000 0.000 0.281 588 L C 0.534 177.410 176.870 0.009 0.000 1.014 588 L CA -0.168 54.676 54.840 0.006 0.000 0.815 588 L CB 1.752 43.813 42.059 0.004 0.000 1.247 588 L HN 0.828 nan 8.230 nan 0.000 0.421 589 G N 2.001 110.804 108.800 0.005 0.000 2.320 589 G HA2 0.377 4.337 3.960 -0.000 0.000 0.296 589 G HA3 0.377 4.337 3.960 -0.000 0.000 0.296 589 G C -1.602 173.300 174.900 0.003 0.000 1.306 589 G CA -0.932 44.168 45.100 -0.000 0.000 0.836 589 G HN 0.228 nan 8.290 nan 0.000 0.517 590 I N 2.927 123.493 120.570 -0.007 0.000 2.662 590 I HA 0.212 4.382 4.170 -0.000 0.000 0.285 590 I C -1.406 174.695 176.117 -0.026 0.000 1.161 590 I CA -1.332 59.959 61.300 -0.015 0.000 1.415 590 I CB 0.315 38.283 38.000 -0.053 0.000 1.385 590 I HN 0.178 nan 8.210 nan 0.000 0.552 591 P HA -0.103 nan 4.420 nan 0.000 0.270 591 P C -0.121 177.161 177.300 -0.030 0.000 1.221 591 P CA -0.059 63.031 63.100 -0.016 0.000 0.788 591 P CB 0.467 32.162 31.700 -0.009 0.000 0.904 592 D N 0.435 120.820 120.400 -0.025 0.000 2.982 592 D HA 0.025 4.665 4.640 -0.000 0.000 0.238 592 D C -0.134 176.125 176.300 -0.068 0.000 1.168 592 D CA 0.442 54.421 54.000 -0.035 0.000 0.947 592 D CB -0.402 40.385 40.800 -0.022 0.000 1.147 592 D HN 0.222 nan 8.370 nan 0.000 0.450 593 E N -0.472 119.678 120.200 -0.083 0.000 2.433 593 E HA 0.191 4.541 4.350 -0.000 0.000 0.278 593 E C -0.801 175.743 176.600 -0.095 0.000 0.976 593 E CA -0.961 55.388 56.400 -0.086 0.000 0.793 593 E CB 1.018 30.724 29.700 0.010 0.000 1.311 593 E HN -0.002 nan 8.360 nan 0.000 0.460 594 F N 2.592 122.604 119.950 0.103 0.000 2.600 594 F HA 0.043 4.570 4.527 -0.000 0.000 0.345 594 F C 0.653 176.494 175.800 0.068 0.000 1.271 594 F CA -0.162 57.906 58.000 0.113 0.000 1.138 594 F CB 0.002 39.073 39.000 0.117 0.000 1.449 594 F HN 0.018 nan 8.300 nan 0.000 0.645 595 Q N 2.729 122.634 119.800 0.175 0.000 2.478 595 Q HA -0.108 4.232 4.340 -0.000 0.000 0.323 595 Q C 0.421 176.489 176.000 0.114 0.000 1.087 595 Q CA 0.674 56.537 55.803 0.100 0.000 1.056 595 Q CB 0.107 28.873 28.738 0.047 0.000 1.018 595 Q HN 0.620 nan 8.270 nan 0.000 0.387 596 E N 1.750 121.978 120.200 0.046 0.000 2.373 596 E HA 0.041 4.391 4.350 -0.000 0.000 0.263 596 E C -0.311 176.241 176.600 -0.079 0.000 1.073 596 E CA -0.578 55.808 56.400 -0.023 0.000 0.894 596 E CB 0.464 30.087 29.700 -0.127 0.000 1.008 596 E HN 0.530 nan 8.360 nan 0.000 0.420 597 H N 0.205 119.309 119.070 0.057 0.000 3.157 597 H HA 0.313 4.869 4.556 -0.000 0.000 0.299 597 H C -0.514 174.820 175.328 0.008 0.000 0.961 597 H CA 0.137 56.206 56.048 0.034 0.000 1.428 597 H CB 0.291 30.065 29.762 0.020 0.000 1.459 597 H HN 0.486 nan 8.280 nan 0.000 0.566 598 A N 2.765 125.637 122.820 0.087 0.000 2.467 598 A HA 0.563 4.883 4.320 -0.000 0.000 0.301 598 A C -0.013 177.583 177.584 0.020 0.000 1.126 598 A CA -0.657 51.401 52.037 0.034 0.000 0.632 598 A CB 0.122 19.109 19.000 -0.022 0.000 1.331 598 A HN 1.069 nan 8.150 nan 0.000 0.482 599 T N -1.067 113.486 114.554 -0.001 0.000 2.802 599 T HA 0.498 4.848 4.350 -0.000 0.000 0.305 599 T C 1.407 176.067 174.700 -0.067 0.000 1.053 599 T CA 0.345 62.437 62.100 -0.013 0.000 1.058 599 T CB 0.967 69.833 68.868 -0.003 0.000 0.988 599 T HN 1.897 nan 8.240 nan 0.000 0.539 600 A N 0.911 123.681 122.820 -0.083 0.000 1.902 600 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 600 A C 2.220 179.632 177.584 -0.286 0.000 1.181 600 A CA 1.565 53.453 52.037 -0.248 0.000 0.623 600 A CB -1.016 17.913 19.000 -0.118 0.000 0.818 600 A HN 0.919 nan 8.150 nan 0.000 0.443 601 E N 0.673 120.857 120.200 -0.027 0.000 2.085 601 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 601 E C 2.409 178.997 176.600 -0.020 0.000 0.994 601 E CA 1.858 58.282 56.400 0.040 0.000 0.801 601 E CB -0.321 29.404 29.700 0.041 0.000 0.743 601 E HN 0.792 nan 8.360 nan 0.000 0.453 602 S N -0.136 115.538 115.700 -0.043 0.000 2.387 602 S HA -0.082 4.388 4.470 -0.000 0.000 0.226 602 S C 2.188 176.761 174.600 -0.047 0.000 1.026 602 S CA 0.844 59.021 58.200 -0.039 0.000 0.972 602 S CB -0.520 62.662 63.200 -0.031 0.000 0.814 602 S HN 0.081 nan 8.310 nan 0.000 0.477 603 V N 2.240 122.098 119.914 -0.093 0.000 2.490 603 V HA -0.151 3.968 4.120 -0.000 0.000 0.250 603 V C 2.665 178.736 176.094 -0.037 0.000 1.061 603 V CA 1.854 64.095 62.300 -0.099 0.000 1.064 603 V CB -0.936 30.790 31.823 -0.162 0.000 0.670 603 V HN 0.557 nan 8.190 nan 0.000 0.461 604 H N 0.192 119.265 119.070 0.004 0.000 2.363 604 H HA 0.072 4.628 4.556 -0.000 0.000 0.301 604 H C 2.351 177.643 175.328 -0.059 0.000 1.074 604 H CA 1.420 57.467 56.048 -0.002 0.000 1.354 604 H CB -0.567 29.223 29.762 0.047 0.000 1.397 604 H HN 0.442 nan 8.280 nan 0.000 0.516 605 A N 1.257 124.098 122.820 0.035 0.000 1.877 605 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 605 A C 2.478 180.056 177.584 -0.009 0.000 1.186 605 A CA 1.429 53.452 52.037 -0.024 0.000 0.620 605 A CB -0.304 18.669 19.000 -0.045 0.000 0.822 605 A HN 0.301 nan 8.150 nan 0.000 0.443 606 R N -0.752 119.747 120.500 -0.002 0.000 2.119 606 R HA 0.070 4.410 4.340 -0.000 0.000 0.222 606 R C 2.223 178.527 176.300 0.008 0.000 1.088 606 R CA 0.944 57.042 56.100 -0.003 0.000 0.984 606 R CB -0.309 29.985 30.300 -0.009 0.000 0.884 606 R HN 0.479 nan 8.270 nan 0.000 0.447 607 A N 0.201 123.037 122.820 0.028 0.000 2.167 607 A HA 0.150 4.469 4.320 -0.000 0.000 0.214 607 A C 1.399 179.003 177.584 0.033 0.000 1.151 607 A CA 0.947 53.006 52.037 0.037 0.000 0.735 607 A CB -0.140 18.902 19.000 0.070 0.000 0.802 607 A HN 0.453 nan 8.150 nan 0.000 0.467 608 G N -0.433 108.382 108.800 0.025 0.000 2.132 608 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.228 608 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.228 608 G C 0.593 175.490 174.900 -0.005 0.000 1.000 608 G CA 0.457 45.558 45.100 0.002 0.000 0.693 608 G HN 1.337 nan 8.290 nan 0.000 0.515 609 I N -2.804 117.767 120.570 0.003 0.000 4.018 609 I HA 0.434 4.604 4.170 -0.000 0.000 0.337 609 I C 0.533 176.595 176.117 -0.092 0.000 1.327 609 I CA -0.452 60.840 61.300 -0.014 0.000 1.100 609 I CB 0.204 38.195 38.000 -0.015 0.000 1.025 609 I HN -0.062 nan 8.210 nan 0.000 0.396 610 D N 2.270 122.553 120.400 -0.195 0.000 2.563 610 D HA 0.008 4.648 4.640 -0.000 0.000 0.229 610 D C 1.535 177.643 176.300 -0.319 0.000 1.159 610 D CA 1.039 54.797 54.000 -0.402 0.000 0.869 610 D CB 1.309 41.978 40.800 -0.219 0.000 1.203 610 D HN 0.354 nan 8.370 nan 0.000 0.478 611 A N 5.005 127.584 122.820 -0.402 0.000 1.869 611 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 611 A C -0.616 176.915 177.584 -0.088 0.000 1.203 611 A CA 1.711 53.664 52.037 -0.138 0.000 0.638 611 A CB -1.448 17.500 19.000 -0.087 0.000 0.831 611 A HN 0.697 nan 8.150 nan 0.000 0.450 612 P HA 0.203 nan 4.420 nan 0.000 0.253 612 P C 0.792 178.059 177.300 -0.055 0.000 1.260 612 P CA 1.085 64.149 63.100 -0.061 0.000 0.800 612 P CB 0.239 31.905 31.700 -0.056 0.000 1.162 613 A N -0.027 122.751 122.820 -0.069 0.000 1.997 613 A HA 0.075 4.395 4.320 -0.000 0.000 0.212 613 A C 2.052 179.617 177.584 -0.033 0.000 1.178 613 A CA 0.420 52.428 52.037 -0.049 0.000 0.698 613 A CB -1.021 17.946 19.000 -0.055 0.000 0.842 613 A HN 0.089 nan 8.150 nan 0.000 0.458 614 I N -0.516 120.035 120.570 -0.032 0.000 2.315 614 I HA -0.212 3.957 4.170 -0.000 0.000 0.248 614 I C 2.525 178.633 176.117 -0.014 0.000 1.117 614 I CA 1.018 62.309 61.300 -0.016 0.000 1.404 614 I CB -0.310 37.687 38.000 -0.006 0.000 1.071 614 I HN 0.210 nan 8.210 nan 0.000 0.419 615 R N 0.209 120.698 120.500 -0.019 0.000 2.193 615 R HA -0.117 4.222 4.340 -0.000 0.000 0.229 615 R C 2.233 178.524 176.300 -0.014 0.000 1.110 615 R CA 1.635 57.726 56.100 -0.015 0.000 0.988 615 R CB -0.488 29.801 30.300 -0.019 0.000 0.871 615 R HN 0.376 nan 8.270 nan 0.000 0.458 616 T N 0.223 114.767 114.554 -0.017 0.000 2.812 616 T HA -0.066 4.284 4.350 -0.000 0.000 0.264 616 T C 1.905 176.599 174.700 -0.010 0.000 1.042 616 T CA 1.054 63.145 62.100 -0.014 0.000 1.140 616 T CB -0.017 68.841 68.868 -0.016 0.000 0.870 616 T HN -0.001 nan 8.240 nan 0.000 0.445 617 V N 1.423 121.332 119.914 -0.009 0.000 2.453 617 V HA -0.047 4.073 4.120 -0.000 0.000 0.247 617 V C 2.412 178.504 176.094 -0.004 0.000 1.048 617 V CA 1.271 63.567 62.300 -0.006 0.000 1.049 617 V CB -0.585 31.235 31.823 -0.005 0.000 0.672 617 V HN 0.418 nan 8.190 nan 0.000 0.457 618 L N 0.200 121.421 121.223 -0.004 0.000 2.131 618 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 618 L C 2.618 179.487 176.870 -0.002 0.000 1.092 618 L CA 1.506 56.345 54.840 -0.002 0.000 0.759 618 L CB -0.689 41.369 42.059 -0.003 0.000 0.903 618 L HN 0.348 nan 8.230 nan 0.000 0.435 619 A N -0.516 122.302 122.820 -0.004 0.000 2.015 619 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 619 A C 2.007 179.590 177.584 -0.003 0.000 1.163 619 A CA 1.141 53.176 52.037 -0.003 0.000 0.646 619 A CB -0.296 18.701 19.000 -0.005 0.000 0.806 619 A HN 0.426 nan 8.150 nan 0.000 0.448 620 E N -0.782 119.416 120.200 -0.003 0.000 2.494 620 E HA 0.167 4.517 4.350 -0.000 0.000 0.193 620 E C -0.106 176.494 176.600 -0.000 0.000 1.074 620 E CA 0.027 56.426 56.400 -0.002 0.000 0.867 620 E CB 0.036 29.734 29.700 -0.003 0.000 0.924 620 E HN 0.577 nan 8.360 nan 0.000 0.502 621 L N -0.676 120.548 121.223 0.001 0.000 3.288 621 L HA 0.350 4.690 4.340 -0.000 0.000 0.293 621 L C 0.854 177.725 176.870 0.003 0.000 1.294 621 L CA -0.285 54.556 54.840 0.002 0.000 1.006 621 L CB 0.774 42.835 42.059 0.003 0.000 1.407 621 L HN 0.127 nan 8.230 nan 0.000 0.592 622 G N 0.452 109.253 108.800 0.002 0.000 2.153 622 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.252 622 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.252 622 G C 0.082 174.983 174.900 0.002 0.000 0.994 622 G CA 0.196 45.297 45.100 0.002 0.000 0.698 622 G HN 0.193 nan 8.290 nan 0.000 0.521 623 V N 1.368 121.283 119.914 0.002 0.000 2.370 623 V HA 0.259 4.379 4.120 -0.000 0.000 0.279 623 V C 0.450 176.544 176.094 0.000 0.000 1.029 623 V CA -1.053 61.248 62.300 0.002 0.000 0.870 623 V CB 1.603 33.428 31.823 0.002 0.000 0.984 623 V HN 0.305 nan 8.190 nan 0.000 0.451 624 D N 3.967 124.367 120.400 0.000 0.000 2.455 624 D HA 0.027 4.667 4.640 -0.000 0.000 0.265 624 D C -0.336 175.963 176.300 -0.001 0.000 1.284 624 D CA 0.589 54.589 54.000 -0.000 0.000 0.944 624 D CB 1.080 41.880 40.800 0.000 0.000 1.121 624 D HN 0.217 nan 8.370 nan 0.000 0.525 625 V N 5.638 125.550 119.914 -0.002 0.000 2.417 625 V HA 0.201 4.320 4.120 -0.000 0.000 0.291 625 V C -1.936 174.156 176.094 -0.004 0.000 1.024 625 V CA -1.655 60.643 62.300 -0.003 0.000 0.861 625 V CB 1.728 33.548 31.823 -0.005 0.000 0.985 625 V HN 0.368 nan 8.190 nan 0.000 0.436 626 P HA 0.134 nan 4.420 nan 0.000 0.261 626 P C 1.053 178.350 177.300 -0.005 0.000 1.203 626 P CA -0.096 63.001 63.100 -0.004 0.000 0.767 626 P CB 0.365 32.063 31.700 -0.004 0.000 0.785 627 I N 0.972 121.539 120.570 -0.005 0.000 2.091 627 I HA -0.146 4.024 4.170 -0.000 0.000 0.239 627 I C 1.074 177.187 176.117 -0.007 0.000 1.061 627 I CA 2.023 63.319 61.300 -0.006 0.000 1.317 627 I CB -0.672 37.325 38.000 -0.005 0.000 1.031 627 I HN 0.431 nan 8.210 nan 0.000 0.401 628 E N 0.000 120.196 120.200 -0.006 0.000 2.725 628 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 628 E CA 0.000 56.396 56.400 -0.006 0.000 0.976 628 E CB 0.000 29.696 29.700 -0.007 0.000 0.812 628 E HN 0.000 nan 8.360 nan 0.000 0.440