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 1m8p_1_A DATA FIRST_RESID 1 DATA SEQUENCE MANAPHGGVL KDLLARDAPR QAELAAEAES LPAVTLTERQ LCDLELIMNG DATA SEQUENCE GFSPLEGFMN QADYDRVCED NRLADGNVFS MPITLDASQE VIDEKKLQAA DATA SEQUENCE SRITLRDFRD DRNLAILTID DIYRPDKTKE AKLVFGGDPE HPAIVYLNNT DATA SEQUENCE VKEFYIGGKI EAVNKLNHYD YVALRYTPAE LRVHFDKLGW SRVVAFQTRN DATA SEQUENCE PMHRAHRELT VRAARSRQAN VLIHPVVGLT KPGDIDHFTR VRAYQALLPR DATA SEQUENCE YPNGMAVLGL LGLAMRMGGP REAIWHAIIR KNHGATHFIV GRDHAGPGSN DATA SEQUENCE SKGEDFYGPY DAQHAVEKYK DELGIEVVEF QMVTYLPDTD EYRPVDQVPA DATA SEQUENCE GVKTLNISGT ELRRRLRSGA HIPEWFSYPE VVKILRESNP PRATQGFTIF DATA SEQUENCE LTGYMNSGKD AIARALQVTL NQQGGRSVSL LLGDTVRHEL SSELGFTRED DATA SEQUENCE RHTNIQRIAF VATELTRAGA AVIAAPIAPY EESRKFARDA VSQAGSFFLV DATA SEQUENCE HVATPLEHCE QSDKRGIYAA ARRGEIKGFT GVDDPYETPE KADLVVDFSK DATA SEQUENCE QSVRSIVHEI ILVLESQGFL ERQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.339 176.300 0.065 0.000 1.140 1 M CA 0.000 55.333 55.300 0.055 0.000 0.988 1 M CB 0.000 32.624 32.600 0.041 0.000 1.302 2 A N 0.816 123.693 122.820 0.096 0.000 3.559 2 A HA 0.386 4.706 4.320 -0.000 0.000 0.145 2 A C 0.119 177.724 177.584 0.035 0.000 1.506 2 A CA 0.449 52.529 52.037 0.072 0.000 1.065 2 A CB -0.627 18.447 19.000 0.122 0.000 1.485 2 A HN 0.905 nan 8.150 nan 0.000 0.698 3 N N -0.846 117.868 118.700 0.024 0.000 2.525 3 N HA 0.413 5.153 4.740 -0.000 0.000 0.271 3 N C -0.003 175.528 175.510 0.036 0.000 1.194 3 N CA 0.015 53.074 53.050 0.016 0.000 0.964 3 N CB 0.590 39.079 38.487 0.003 0.000 1.126 3 N HN 0.719 nan 8.380 nan 0.000 0.452 4 A N 3.388 126.230 122.820 0.036 0.000 2.466 4 A HA 0.264 4.583 4.320 -0.000 0.000 0.238 4 A C -2.023 175.595 177.584 0.058 0.000 1.074 4 A CA -0.869 51.193 52.037 0.042 0.000 0.774 4 A CB -0.151 18.872 19.000 0.038 0.000 1.015 4 A HN 0.561 nan 8.150 nan 0.000 0.498 5 P HA 0.053 nan 4.420 nan 0.000 0.281 5 P C -0.434 176.953 177.300 0.145 0.000 1.274 5 P CA 0.220 63.368 63.100 0.080 0.000 0.794 5 P CB 0.219 31.955 31.700 0.060 0.000 1.201 6 H N -1.213 117.881 119.070 0.041 0.000 2.517 6 H HA 0.454 5.009 4.556 -0.000 0.000 0.317 6 H C 1.303 176.671 175.328 0.066 0.000 1.080 6 H CA 0.918 56.999 56.048 0.055 0.000 1.301 6 H CB -0.155 29.650 29.762 0.072 0.000 1.425 6 H HN 0.628 nan 8.280 nan 0.000 0.471 7 G N 2.852 111.510 108.800 -0.236 0.000 2.320 7 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 7 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 7 G C 1.097 175.966 174.900 -0.052 0.000 1.033 7 G CA 0.726 45.721 45.100 -0.177 0.000 0.620 7 G HN 1.800 nan 8.290 nan 0.000 0.517 8 G N -2.442 106.357 108.800 -0.002 0.000 2.336 8 G HA2 0.181 4.141 3.960 -0.000 0.000 0.194 8 G HA3 0.181 4.141 3.960 -0.000 0.000 0.194 8 G C 0.129 175.040 174.900 0.018 0.000 0.999 8 G CA 0.572 45.678 45.100 0.011 0.000 0.669 8 G HN 1.721 nan 8.290 nan 0.000 0.482 9 V N 1.411 121.338 119.914 0.021 0.000 2.638 9 V HA 0.663 4.783 4.120 -0.000 0.000 0.306 9 V C -0.141 175.970 176.094 0.029 0.000 1.052 9 V CA -0.836 61.476 62.300 0.020 0.000 0.885 9 V CB 1.919 33.749 31.823 0.013 0.000 0.999 9 V HN 0.462 nan 8.190 nan 0.000 0.424 10 L N 4.789 126.024 121.223 0.018 0.000 2.433 10 L HA 0.360 4.699 4.340 -0.000 0.000 0.275 10 L C 0.751 177.627 176.870 0.010 0.000 1.128 10 L CA 0.113 54.960 54.840 0.012 0.000 0.875 10 L CB 0.412 42.464 42.059 -0.012 0.000 1.171 10 L HN 0.522 nan 8.230 nan 0.000 0.463 11 K N 3.107 123.522 120.400 0.026 0.000 2.989 11 K HA 0.033 4.353 4.320 -0.000 0.000 0.264 11 K C -0.085 176.515 176.600 0.000 0.000 1.228 11 K CA 0.238 56.539 56.287 0.023 0.000 1.186 11 K CB -0.787 31.745 32.500 0.053 0.000 1.409 11 K HN 0.423 nan 8.250 nan 0.000 0.271 12 D N 1.477 121.869 120.400 -0.012 0.000 2.767 12 D HA -0.004 4.636 4.640 -0.000 0.000 0.231 12 D C 0.843 177.133 176.300 -0.018 0.000 1.105 12 D CA 0.072 54.057 54.000 -0.026 0.000 1.024 12 D CB -0.015 40.767 40.800 -0.030 0.000 1.123 12 D HN 0.286 nan 8.370 nan 0.000 0.470 13 L N 0.406 121.621 121.223 -0.013 0.000 2.089 13 L HA -0.238 4.102 4.340 -0.000 0.000 0.213 13 L C 2.367 179.230 176.870 -0.011 0.000 1.079 13 L CA 0.839 55.675 54.840 -0.007 0.000 0.758 13 L CB -0.398 41.658 42.059 -0.004 0.000 0.891 13 L HN 0.322 nan 8.230 nan 0.000 0.433 14 L N -0.166 121.045 121.223 -0.019 0.000 2.017 14 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 14 L C 2.937 179.795 176.870 -0.020 0.000 1.073 14 L CA 1.324 56.151 54.840 -0.021 0.000 0.745 14 L CB -0.617 41.425 42.059 -0.029 0.000 0.894 14 L HN 0.243 nan 8.230 nan 0.000 0.432 15 A N -0.239 122.568 122.820 -0.022 0.000 1.858 15 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 15 A C 2.343 179.919 177.584 -0.014 0.000 1.190 15 A CA 1.805 53.830 52.037 -0.020 0.000 0.617 15 A CB -0.611 18.376 19.000 -0.022 0.000 0.827 15 A HN 0.342 nan 8.150 nan 0.000 0.443 16 R N 0.082 120.575 120.500 -0.011 0.000 2.205 16 R HA -0.194 4.146 4.340 -0.000 0.000 0.221 16 R C 0.974 177.271 176.300 -0.005 0.000 1.101 16 R CA 2.088 58.184 56.100 -0.006 0.000 0.869 16 R CB -0.703 29.596 30.300 -0.003 0.000 0.815 16 R HN 0.439 nan 8.270 nan 0.000 0.434 17 D N 0.405 120.803 120.400 -0.004 0.000 2.417 17 D HA -0.099 4.541 4.640 -0.000 0.000 0.240 17 D C 1.160 177.457 176.300 -0.005 0.000 1.062 17 D CA 0.832 54.831 54.000 -0.002 0.000 0.959 17 D CB -0.095 40.706 40.800 0.001 0.000 0.877 17 D HN 0.433 nan 8.370 nan 0.000 0.528 18 A N 1.281 124.096 122.820 -0.008 0.000 1.929 18 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 18 A C -0.013 177.565 177.584 -0.009 0.000 1.176 18 A CA 0.647 52.678 52.037 -0.011 0.000 0.628 18 A CB -1.095 17.897 19.000 -0.014 0.000 0.816 18 A HN 0.192 nan 8.150 nan 0.000 0.444 19 P HA -0.034 nan 4.420 nan 0.000 0.226 19 P C 1.022 178.319 177.300 -0.005 0.000 1.153 19 P CA 0.790 63.886 63.100 -0.006 0.000 0.777 19 P CB 0.072 31.768 31.700 -0.005 0.000 0.794 20 R N -1.037 119.461 120.500 -0.004 0.000 2.468 20 R HA 0.117 4.457 4.340 -0.000 0.000 0.280 20 R C 1.836 178.135 176.300 -0.002 0.000 0.963 20 R CA -0.175 55.924 56.100 -0.002 0.000 1.083 20 R CB -0.085 30.216 30.300 0.000 0.000 1.200 20 R HN 0.166 nan 8.270 nan 0.000 0.541 21 Q N 1.539 121.336 119.800 -0.004 0.000 1.998 21 Q HA -0.231 4.109 4.340 -0.000 0.000 0.209 21 Q C 1.802 177.800 176.000 -0.004 0.000 1.002 21 Q CA 2.534 58.334 55.803 -0.005 0.000 0.858 21 Q CB -0.164 28.569 28.738 -0.009 0.000 0.932 21 Q HN 0.360 nan 8.270 nan 0.000 0.416 22 A N 0.502 123.319 122.820 -0.004 0.000 1.917 22 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 22 A C 1.927 179.510 177.584 -0.001 0.000 1.182 22 A CA 2.065 54.100 52.037 -0.003 0.000 0.633 22 A CB -0.565 18.433 19.000 -0.004 0.000 0.819 22 A HN 0.459 nan 8.150 nan 0.000 0.448 23 E N -0.145 120.055 120.200 -0.000 0.000 2.015 23 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 23 E C 1.916 178.518 176.600 0.003 0.000 0.991 23 E CA 1.093 57.493 56.400 0.001 0.000 0.802 23 E CB -0.528 29.173 29.700 0.002 0.000 0.759 23 E HN 0.564 nan 8.360 nan 0.000 0.447 24 L N 0.320 121.545 121.223 0.004 0.000 2.187 24 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 24 L C 2.143 179.017 176.870 0.007 0.000 1.100 24 L CA 1.121 55.965 54.840 0.007 0.000 0.765 24 L CB -0.450 41.613 42.059 0.008 0.000 0.904 24 L HN 0.115 nan 8.230 nan 0.000 0.437 25 A N -0.020 122.802 122.820 0.003 0.000 1.828 25 A HA -0.193 4.126 4.320 -0.000 0.000 0.215 25 A C 2.533 180.119 177.584 0.004 0.000 1.203 25 A CA 1.788 53.826 52.037 0.003 0.000 0.614 25 A CB -1.104 17.896 19.000 -0.001 0.000 0.844 25 A HN 0.356 nan 8.150 nan 0.000 0.445 26 A N -0.696 122.126 122.820 0.003 0.000 1.978 26 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 26 A C 2.021 179.608 177.584 0.005 0.000 1.170 26 A CA 1.961 54.000 52.037 0.003 0.000 0.636 26 A CB -0.612 18.389 19.000 0.002 0.000 0.810 26 A HN 0.704 nan 8.150 nan 0.000 0.448 27 E N -0.335 119.868 120.200 0.006 0.000 2.204 27 E HA -0.072 4.277 4.350 -0.000 0.000 0.194 27 E C 1.887 178.493 176.600 0.009 0.000 0.989 27 E CA 0.767 57.172 56.400 0.007 0.000 0.824 27 E CB -0.170 29.535 29.700 0.009 0.000 0.756 27 E HN 0.582 nan 8.360 nan 0.000 0.477 28 A N 0.803 123.629 122.820 0.010 0.000 2.167 28 A HA -0.058 4.261 4.320 -0.000 0.000 0.214 28 A C 1.739 179.330 177.584 0.011 0.000 1.151 28 A CA 0.366 52.411 52.037 0.013 0.000 0.735 28 A CB -0.094 18.914 19.000 0.015 0.000 0.802 28 A HN 0.162 nan 8.150 nan 0.000 0.467 29 E N 0.266 120.471 120.200 0.008 0.000 2.265 29 E HA -0.093 4.257 4.350 -0.000 0.000 0.196 29 E C 1.437 178.041 176.600 0.007 0.000 0.996 29 E CA 1.461 57.865 56.400 0.007 0.000 0.832 29 E CB 0.024 29.727 29.700 0.005 0.000 0.756 29 E HN 0.616 nan 8.360 nan 0.000 0.491 30 S N -0.304 115.400 115.700 0.007 0.000 2.613 30 S HA 0.153 4.622 4.470 -0.000 0.000 0.235 30 S C 0.986 175.590 174.600 0.007 0.000 1.073 30 S CA -0.380 57.824 58.200 0.006 0.000 0.899 30 S CB 0.482 63.684 63.200 0.005 0.000 0.818 30 S HN 0.022 nan 8.310 nan 0.000 0.484 31 L N 2.498 123.726 121.223 0.009 0.000 2.498 31 L HA 0.082 4.421 4.340 -0.000 0.000 0.293 31 L C -2.508 174.367 176.870 0.009 0.000 1.271 31 L CA -0.928 53.918 54.840 0.010 0.000 0.831 31 L CB -0.580 41.487 42.059 0.014 0.000 1.091 31 L HN -0.027 nan 8.230 nan 0.000 0.535 32 P HA 0.123 nan 4.420 nan 0.000 0.273 32 P C -0.804 176.502 177.300 0.009 0.000 1.319 32 P CA -0.033 63.071 63.100 0.006 0.000 0.885 32 P CB 0.725 32.426 31.700 0.002 0.000 1.015 33 A N 3.668 126.495 122.820 0.012 0.000 2.407 33 A HA 0.464 4.784 4.320 -0.000 0.000 0.248 33 A C -0.159 177.434 177.584 0.014 0.000 1.082 33 A CA -0.040 52.007 52.037 0.016 0.000 0.785 33 A CB 0.428 19.440 19.000 0.020 0.000 1.020 33 A HN 0.350 nan 8.150 nan 0.000 0.489 34 V N 1.681 121.606 119.914 0.018 0.000 2.623 34 V HA 0.352 4.472 4.120 -0.000 0.000 0.304 34 V C 0.042 176.153 176.094 0.028 0.000 1.054 34 V CA -0.532 61.775 62.300 0.012 0.000 0.882 34 V CB 1.879 33.697 31.823 -0.008 0.000 1.002 34 V HN 0.931 nan 8.190 nan 0.000 0.424 35 T N 6.432 121.007 114.554 0.036 0.000 2.780 35 T HA 0.576 4.926 4.350 -0.000 0.000 0.294 35 T C 0.018 174.755 174.700 0.060 0.000 0.949 35 T CA -0.087 62.057 62.100 0.074 0.000 1.074 35 T CB 0.371 69.294 68.868 0.093 0.000 0.910 35 T HN 0.357 nan 8.240 nan 0.000 0.501 36 L N 3.017 124.301 121.223 0.103 0.000 2.421 36 L HA 0.447 4.787 4.340 -0.000 0.000 0.263 36 L C 1.560 178.476 176.870 0.077 0.000 1.122 36 L CA -1.043 53.845 54.840 0.080 0.000 0.804 36 L CB 0.611 42.742 42.059 0.120 0.000 1.150 36 L HN 0.687 nan 8.230 nan 0.000 0.457 37 T N -3.017 111.545 114.554 0.014 0.000 2.793 37 T HA 0.064 4.413 4.350 -0.000 0.000 0.299 37 T C 0.846 175.575 174.700 0.049 0.000 1.038 37 T CA -0.393 61.661 62.100 -0.076 0.000 0.948 37 T CB 0.981 69.846 68.868 -0.006 0.000 1.231 37 T HN 0.737 nan 8.240 nan 0.000 0.538 38 E N -0.153 120.058 120.200 0.019 0.000 2.046 38 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 38 E C 2.398 179.102 176.600 0.173 0.000 0.982 38 E CA 0.381 56.890 56.400 0.182 0.000 0.800 38 E CB -0.085 29.700 29.700 0.142 0.000 0.756 38 E HN 0.621 nan 8.360 nan 0.000 0.449 39 R N 0.238 120.817 120.500 0.132 0.000 2.159 39 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 39 R C 2.124 178.559 176.300 0.224 0.000 1.131 39 R CA 1.779 57.966 56.100 0.144 0.000 0.982 39 R CB 0.041 30.385 30.300 0.073 0.000 0.868 39 R HN 0.314 nan 8.270 nan 0.000 0.453 40 Q N -0.113 119.817 119.800 0.217 0.000 2.123 40 Q HA -0.071 4.268 4.340 -0.000 0.000 0.196 40 Q C 2.225 178.424 176.000 0.330 0.000 0.958 40 Q CA 0.987 56.959 55.803 0.281 0.000 0.841 40 Q CB 0.037 28.858 28.738 0.138 0.000 0.915 40 Q HN 0.320 nan 8.270 nan 0.000 0.455 41 L N 0.043 121.426 121.223 0.268 0.000 2.083 41 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 41 L C 2.413 179.403 176.870 0.201 0.000 1.083 41 L CA 0.867 55.851 54.840 0.240 0.000 0.752 41 L CB -0.274 41.934 42.059 0.249 0.000 0.899 41 L HN 0.341 nan 8.230 nan 0.000 0.433 42 C N -0.464 118.958 119.300 0.205 0.000 2.435 42 C HA -0.126 4.334 4.460 -0.000 0.000 0.279 42 C C 2.300 177.391 174.990 0.168 0.000 1.321 42 C CA 0.493 59.608 59.018 0.161 0.000 1.752 42 C CB -0.785 27.051 27.740 0.159 0.000 1.959 42 C HN 0.545 nan 8.230 nan 0.000 0.500 43 D N 0.413 120.983 120.400 0.284 0.000 2.162 43 D HA -0.047 4.593 4.640 -0.000 0.000 0.203 43 D C 1.896 178.278 176.300 0.136 0.000 0.967 43 D CA 0.579 54.812 54.000 0.388 0.000 0.840 43 D CB -0.475 40.633 40.800 0.515 0.000 0.972 43 D HN 0.331 nan 8.370 nan 0.000 0.482 44 L N 1.320 122.635 121.223 0.153 0.000 2.141 44 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 44 L C 1.943 178.801 176.870 -0.021 0.000 1.094 44 L CA 1.695 56.574 54.840 0.064 0.000 0.763 44 L CB -0.361 41.824 42.059 0.210 0.000 0.908 44 L HN -0.065 nan 8.230 nan 0.000 0.437 45 E N -0.564 119.624 120.200 -0.022 0.000 2.047 45 E HA -0.188 4.161 4.350 -0.000 0.000 0.191 45 E C 2.102 178.602 176.600 -0.167 0.000 0.987 45 E CA 1.346 57.712 56.400 -0.055 0.000 0.799 45 E CB -0.159 29.543 29.700 0.003 0.000 0.752 45 E HN 0.575 nan 8.360 nan 0.000 0.449 46 L N 0.584 121.590 121.223 -0.362 0.000 2.478 46 L HA -0.029 4.311 4.340 -0.000 0.000 0.223 46 L C 2.055 178.578 176.870 -0.579 0.000 1.140 46 L CA 0.172 54.624 54.840 -0.648 0.000 0.842 46 L CB -0.093 41.173 42.059 -1.322 0.000 0.953 46 L HN 0.229 nan 8.230 nan 0.000 0.452 47 I N -0.598 119.778 120.570 -0.323 0.000 2.368 47 I HA -0.183 3.987 4.170 -0.000 0.000 0.238 47 I C 2.371 178.449 176.117 -0.065 0.000 1.076 47 I CA 0.922 62.177 61.300 -0.074 0.000 1.397 47 I CB -0.064 37.892 38.000 -0.073 0.000 1.141 47 I HN 0.138 nan 8.210 nan 0.000 0.430 48 M N 1.313 120.871 119.600 -0.071 0.000 2.426 48 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 48 M C 1.157 177.426 176.300 -0.052 0.000 1.068 48 M CA 1.588 56.861 55.300 -0.044 0.000 1.066 48 M CB -0.606 31.976 32.600 -0.031 0.000 1.399 48 M HN 0.414 nan 8.290 nan 0.000 0.449 49 N N -1.065 117.586 118.700 -0.081 0.000 2.184 49 N HA 0.186 4.926 4.740 -0.000 0.000 0.206 49 N C 0.855 176.304 175.510 -0.101 0.000 1.151 49 N CA 0.689 53.689 53.050 -0.083 0.000 0.878 49 N CB 0.502 38.939 38.487 -0.084 0.000 1.014 49 N HN 0.276 nan 8.380 nan 0.000 0.512 50 G N -1.161 107.591 108.800 -0.080 0.000 2.176 50 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.232 50 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.232 50 G C 1.076 175.942 174.900 -0.058 0.000 0.986 50 G CA 0.144 45.215 45.100 -0.048 0.000 0.643 50 G HN 0.650 nan 8.290 nan 0.000 0.522 51 G N -0.014 108.697 108.800 -0.148 0.000 2.462 51 G HA2 0.007 3.967 3.960 -0.000 0.000 0.220 51 G HA3 0.007 3.967 3.960 -0.000 0.000 0.220 51 G C 1.270 176.270 174.900 0.167 0.000 1.121 51 G CA 1.246 46.271 45.100 -0.125 0.000 0.758 51 G HN 0.617 nan 8.290 nan 0.000 0.559 52 F N 1.051 121.069 119.950 0.114 0.000 2.664 52 F HA 0.231 4.758 4.527 -0.000 0.000 0.303 52 F C 0.988 176.969 175.800 0.303 0.000 1.092 52 F CA -0.943 57.216 58.000 0.265 0.000 1.305 52 F CB 0.461 39.648 39.000 0.312 0.000 1.054 52 F HN -0.095 nan 8.300 nan 0.000 0.565 53 S N 3.257 119.164 115.700 0.345 0.000 2.571 53 S HA -0.077 4.393 4.470 -0.000 0.000 0.298 53 S C -1.137 173.694 174.600 0.386 0.000 1.280 53 S CA -0.664 57.696 58.200 0.268 0.000 1.052 53 S CB 0.443 63.743 63.200 0.167 0.000 0.799 53 S HN 0.182 nan 8.310 nan 0.000 0.501 54 P HA 0.012 nan 4.420 nan 0.000 0.229 54 P C 0.464 177.836 177.300 0.120 0.000 1.160 54 P CA 0.093 63.279 63.100 0.142 0.000 0.777 54 P CB 0.048 31.782 31.700 0.057 0.000 0.814 55 L N 2.350 123.662 121.223 0.149 0.000 2.615 55 L HA -0.099 4.241 4.340 -0.000 0.000 0.284 55 L C 0.921 177.829 176.870 0.064 0.000 1.237 55 L CA 1.154 56.011 54.840 0.029 0.000 0.905 55 L CB -0.507 41.506 42.059 -0.077 0.000 1.149 55 L HN 0.152 nan 8.230 nan 0.000 0.499 56 E N 3.506 123.711 120.200 0.009 0.000 3.918 56 E HA 0.560 4.910 4.350 -0.000 0.000 0.183 56 E C -0.115 176.480 176.600 -0.009 0.000 1.021 56 E CA -0.064 56.344 56.400 0.012 0.000 1.431 56 E CB 0.133 29.845 29.700 0.021 0.000 1.140 56 E HN 0.762 nan 8.360 nan 0.000 0.435 57 G N 0.342 109.113 108.800 -0.050 0.000 2.328 57 G HA2 0.298 4.258 3.960 -0.000 0.000 0.295 57 G HA3 0.298 4.258 3.960 -0.000 0.000 0.295 57 G C -1.510 173.328 174.900 -0.104 0.000 1.413 57 G CA -1.127 43.953 45.100 -0.033 0.000 0.817 57 G HN 0.048 nan 8.290 nan 0.000 0.546 58 F N 0.969 120.946 119.950 0.045 0.000 2.429 58 F HA 0.468 4.995 4.527 -0.000 0.000 0.348 58 F C 1.562 177.370 175.800 0.012 0.000 1.109 58 F CA -0.107 57.906 58.000 0.020 0.000 1.232 58 F CB 1.031 40.036 39.000 0.009 0.000 1.157 58 F HN 0.175 nan 8.300 nan 0.000 0.564 59 M N 4.174 123.845 119.600 0.119 0.000 2.390 59 M HA -0.003 4.477 4.480 -0.000 0.000 0.353 59 M C 0.227 176.649 176.300 0.204 0.000 1.623 59 M CA -0.052 55.301 55.300 0.088 0.000 1.065 59 M CB -0.221 32.398 32.600 0.033 0.000 2.025 59 M HN 0.605 nan 8.290 nan 0.000 0.461 60 N N 2.217 121.014 118.700 0.161 0.000 2.290 60 N HA -0.010 4.730 4.740 -0.000 0.000 0.269 60 N C 0.508 176.008 175.510 -0.016 0.000 1.295 60 N CA -0.394 52.772 53.050 0.192 0.000 0.932 60 N CB 0.244 38.797 38.487 0.111 0.000 1.128 60 N HN 0.705 nan 8.380 nan 0.000 0.532 61 Q N -1.175 118.380 119.800 -0.408 0.000 2.124 61 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 61 Q C 1.733 177.604 176.000 -0.215 0.000 0.977 61 Q CA 1.675 57.079 55.803 -0.666 0.000 0.850 61 Q CB -0.371 27.882 28.738 -0.808 0.000 0.901 61 Q HN 0.715 nan 8.270 nan 0.000 0.429 62 A N 1.519 124.265 122.820 -0.124 0.000 1.841 62 A HA -0.265 4.055 4.320 -0.000 0.000 0.216 62 A C 1.758 179.310 177.584 -0.054 0.000 1.199 62 A CA 1.938 53.931 52.037 -0.074 0.000 0.621 62 A CB -0.948 18.025 19.000 -0.045 0.000 0.835 62 A HN 0.489 nan 8.150 nan 0.000 0.445 63 D N -1.488 118.893 120.400 -0.030 0.000 2.103 63 D HA -0.213 4.427 4.640 -0.000 0.000 0.190 63 D C 1.762 178.062 176.300 -0.000 0.000 0.997 63 D CA 1.985 55.966 54.000 -0.032 0.000 0.833 63 D CB -0.720 40.049 40.800 -0.051 0.000 0.961 63 D HN 0.554 nan 8.370 nan 0.000 0.447 64 Y N 2.129 122.386 120.300 -0.073 0.000 2.181 64 Y HA -0.240 4.310 4.550 -0.000 0.000 0.284 64 Y C 1.671 177.571 175.900 -0.000 0.000 1.179 64 Y CA 1.631 59.724 58.100 -0.012 0.000 1.179 64 Y CB -0.175 38.342 38.460 0.094 0.000 0.973 64 Y HN -0.069 nan 8.280 nan 0.000 0.519 65 D N -0.690 119.524 120.400 -0.309 0.000 2.197 65 D HA -0.070 4.570 4.640 -0.000 0.000 0.212 65 D C 2.231 178.408 176.300 -0.205 0.000 0.963 65 D CA 0.918 54.698 54.000 -0.367 0.000 0.864 65 D CB -0.361 40.298 40.800 -0.236 0.000 1.009 65 D HN 0.298 nan 8.370 nan 0.000 0.479 66 R N 0.928 121.356 120.500 -0.121 0.000 2.200 66 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 66 R C 2.004 178.273 176.300 -0.052 0.000 1.127 66 R CA 0.646 56.707 56.100 -0.066 0.000 0.989 66 R CB -0.002 30.275 30.300 -0.038 0.000 0.869 66 R HN -0.015 nan 8.270 nan 0.000 0.459 67 V N -0.779 119.090 119.914 -0.074 0.000 2.407 67 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 67 V C 2.232 178.281 176.094 -0.074 0.000 1.041 67 V CA 1.498 63.769 62.300 -0.048 0.000 1.040 67 V CB -0.172 31.629 31.823 -0.036 0.000 0.671 67 V HN 0.523 nan 8.190 nan 0.000 0.455 68 C N 0.873 120.091 119.300 -0.137 0.000 2.419 68 C HA -0.094 4.366 4.460 -0.000 0.000 0.281 68 C C 2.481 177.430 174.990 -0.068 0.000 1.336 68 C CA 1.312 60.257 59.018 -0.122 0.000 1.770 68 C CB -1.067 26.547 27.740 -0.210 0.000 1.929 68 C HN 0.808 nan 8.230 nan 0.000 0.509 69 E N 0.264 120.428 120.200 -0.060 0.000 2.288 69 E HA 0.016 4.366 4.350 -0.000 0.000 0.200 69 E C 0.585 177.190 176.600 0.008 0.000 0.880 69 E CA 0.637 57.024 56.400 -0.023 0.000 0.971 69 E CB -0.419 29.263 29.700 -0.031 0.000 0.954 69 E HN 0.351 nan 8.360 nan 0.000 0.489 70 D N 0.278 120.684 120.400 0.011 0.000 2.354 70 D HA 0.063 4.703 4.640 -0.000 0.000 0.209 70 D C 0.150 176.505 176.300 0.091 0.000 1.015 70 D CA 0.137 54.167 54.000 0.050 0.000 0.867 70 D CB 0.216 41.039 40.800 0.039 0.000 0.933 70 D HN 0.034 nan 8.370 nan 0.000 0.520 71 N N 0.021 118.748 118.700 0.045 0.000 2.828 71 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 71 N C -0.662 174.882 175.510 0.056 0.000 1.044 71 N CA 0.695 53.755 53.050 0.017 0.000 0.851 71 N CB -0.458 38.040 38.487 0.019 0.000 1.136 71 N HN 0.309 nan 8.380 nan 0.000 0.572 72 R N -0.263 120.285 120.500 0.080 0.000 2.873 72 R HA 0.615 4.955 4.340 -0.000 0.000 0.264 72 R C 0.418 176.761 176.300 0.071 0.000 1.026 72 R CA -0.806 55.358 56.100 0.107 0.000 1.002 72 R CB 1.301 31.663 30.300 0.103 0.000 1.174 72 R HN -0.024 nan 8.270 nan 0.000 0.488 73 L N 0.747 122.020 121.223 0.083 0.000 2.469 73 L HA 0.298 4.638 4.340 -0.000 0.000 0.253 73 L C 1.589 178.460 176.870 0.001 0.000 1.143 73 L CA -0.137 54.710 54.840 0.012 0.000 0.804 73 L CB 0.991 43.054 42.059 0.006 0.000 1.214 73 L HN 0.848 nan 8.230 nan 0.000 0.476 74 A N 1.259 124.065 122.820 -0.023 0.000 1.859 74 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 74 A C 1.418 178.998 177.584 -0.007 0.000 1.242 74 A CA 2.149 54.175 52.037 -0.018 0.000 0.661 74 A CB -1.039 17.947 19.000 -0.024 0.000 0.842 74 A HN 0.960 nan 8.150 nan 0.000 0.455 75 D N -1.044 119.351 120.400 -0.008 0.000 2.408 75 D HA 0.232 4.872 4.640 -0.000 0.000 0.248 75 D C 1.101 177.401 176.300 0.000 0.000 1.122 75 D CA 1.419 55.415 54.000 -0.006 0.000 0.964 75 D CB -1.070 39.723 40.800 -0.011 0.000 0.884 75 D HN 1.168 nan 8.370 nan 0.000 0.524 76 G N -0.356 108.452 108.800 0.013 0.000 2.320 76 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.242 76 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.242 76 G C 0.250 175.178 174.900 0.046 0.000 1.033 76 G CA -0.008 45.107 45.100 0.026 0.000 0.620 76 G HN 0.566 nan 8.290 nan 0.000 0.517 77 N N 0.458 119.175 118.700 0.029 0.000 2.407 77 N HA 0.360 5.100 4.740 -0.000 0.000 0.250 77 N C 0.507 176.122 175.510 0.175 0.000 1.236 77 N CA 0.167 53.236 53.050 0.033 0.000 0.879 77 N CB 1.108 39.540 38.487 -0.093 0.000 1.088 77 N HN 0.225 nan 8.380 nan 0.000 0.450 78 V N 2.998 123.075 119.914 0.272 0.000 2.655 78 V HA 0.096 4.216 4.120 -0.000 0.000 0.300 78 V C -0.195 176.101 176.094 0.336 0.000 1.044 78 V CA 0.610 63.079 62.300 0.281 0.000 1.095 78 V CB -0.495 31.484 31.823 0.261 0.000 0.952 78 V HN 0.575 nan 8.190 nan 0.000 0.485 79 F N 3.663 123.624 119.950 0.018 0.000 3.588 79 F HA 0.195 4.722 4.527 -0.000 0.000 0.396 79 F C 0.776 176.490 175.800 -0.143 0.000 1.213 79 F CA -0.455 57.525 58.000 -0.033 0.000 1.387 79 F CB 1.237 40.240 39.000 0.005 0.000 2.059 79 F HN 0.466 nan 8.300 nan 0.000 0.754 80 S N 3.166 118.803 115.700 -0.106 0.000 2.754 80 S HA 0.266 4.735 4.470 -0.000 0.000 0.223 80 S C -0.003 174.447 174.600 -0.250 0.000 0.951 80 S CA -0.160 57.936 58.200 -0.173 0.000 0.954 80 S CB -0.046 62.984 63.200 -0.283 0.000 0.780 80 S HN 0.540 nan 8.310 nan 0.000 0.509 81 M N 2.207 121.683 119.600 -0.207 0.000 2.255 81 M HA 0.434 4.914 4.480 -0.000 0.000 0.275 81 M C -3.064 173.042 176.300 -0.323 0.000 1.050 81 M CA -1.912 53.072 55.300 -0.526 0.000 0.978 81 M CB 2.008 33.785 32.600 -1.372 0.000 1.761 81 M HN -0.219 nan 8.290 nan 0.000 0.479 82 P HA 0.147 nan 4.420 nan 0.000 0.267 82 P C -0.921 176.291 177.300 -0.147 0.000 1.205 82 P CA 0.047 63.103 63.100 -0.073 0.000 0.765 82 P CB 0.309 32.102 31.700 0.155 0.000 0.828 83 I N 4.075 124.567 120.570 -0.129 0.000 2.555 83 I HA 0.185 4.355 4.170 -0.000 0.000 0.275 83 I C 0.579 176.795 176.117 0.164 0.000 1.082 83 I CA -0.284 61.007 61.300 -0.015 0.000 1.167 83 I CB 0.590 38.518 38.000 -0.121 0.000 1.312 83 I HN 0.316 nan 8.210 nan 0.000 0.493 84 T N 2.586 117.177 114.554 0.063 0.000 2.863 84 T HA 0.682 5.032 4.350 -0.000 0.000 0.285 84 T C -0.524 173.995 174.700 -0.302 0.000 1.009 84 T CA -0.740 61.282 62.100 -0.130 0.000 0.989 84 T CB 2.636 70.947 68.868 -0.928 0.000 1.004 84 T HN 0.167 nan 8.240 nan 0.000 0.455 85 L N 2.436 123.326 121.223 -0.555 0.000 2.399 85 L HA 0.754 5.094 4.340 -0.000 0.000 0.266 85 L C -0.508 176.175 176.870 -0.312 0.000 1.114 85 L CA 0.074 54.468 54.840 -0.744 0.000 0.804 85 L CB 0.820 42.278 42.059 -1.001 0.000 1.146 85 L HN 1.049 nan 8.230 nan 0.000 0.451 86 D N 2.374 122.661 120.400 -0.188 0.000 2.559 86 D HA 0.890 5.530 4.640 -0.000 0.000 0.250 86 D C -1.370 174.913 176.300 -0.030 0.000 1.135 86 D CA -0.486 53.502 54.000 -0.019 0.000 0.955 86 D CB 1.868 42.721 40.800 0.088 0.000 1.442 86 D HN 0.828 nan 8.370 nan 0.000 0.471 87 A N -0.151 122.688 122.820 0.031 0.000 2.566 87 A HA 0.697 5.017 4.320 -0.000 0.000 0.290 87 A C -1.196 176.469 177.584 0.135 0.000 1.071 87 A CA -0.566 51.500 52.037 0.049 0.000 0.658 87 A CB 1.055 20.080 19.000 0.041 0.000 1.285 87 A HN 1.046 nan 8.150 nan 0.000 0.427 88 S N -0.344 115.425 115.700 0.114 0.000 2.593 88 S HA 0.475 4.945 4.470 -0.000 0.000 0.297 88 S C 0.695 175.455 174.600 0.267 0.000 1.112 88 S CA -0.087 58.215 58.200 0.171 0.000 1.043 88 S CB 1.704 64.924 63.200 0.034 0.000 1.054 88 S HN 0.904 nan 8.310 nan 0.000 0.516 89 Q N 1.026 121.072 119.800 0.411 0.000 2.173 89 Q HA -0.201 4.139 4.340 -0.000 0.000 0.208 89 Q C 1.494 177.529 176.000 0.059 0.000 0.989 89 Q CA 2.329 58.236 55.803 0.174 0.000 0.872 89 Q CB -0.617 28.231 28.738 0.184 0.000 0.909 89 Q HN 0.903 nan 8.270 nan 0.000 0.420 90 E N -1.336 118.900 120.200 0.059 0.000 2.118 90 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 90 E C 1.784 178.390 176.600 0.011 0.000 0.992 90 E CA 1.609 58.022 56.400 0.023 0.000 0.804 90 E CB -0.025 29.684 29.700 0.015 0.000 0.741 90 E HN 0.262 nan 8.360 nan 0.000 0.458 91 V N 0.468 120.393 119.914 0.018 0.000 2.878 91 V HA -0.075 4.044 4.120 -0.000 0.000 0.250 91 V C 2.002 178.091 176.094 -0.008 0.000 1.075 91 V CA 0.818 63.121 62.300 0.005 0.000 1.096 91 V CB -0.348 31.479 31.823 0.007 0.000 0.724 91 V HN 0.241 nan 8.190 nan 0.000 0.467 92 I N 0.650 121.210 120.570 -0.016 0.000 2.226 92 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 92 I C 2.192 178.277 176.117 -0.053 0.000 1.100 92 I CA 1.533 62.799 61.300 -0.057 0.000 1.374 92 I CB -0.445 37.473 38.000 -0.136 0.000 1.057 92 I HN 0.334 nan 8.210 nan 0.000 0.413 93 D N 0.711 121.085 120.400 -0.042 0.000 2.107 93 D HA -0.187 4.453 4.640 -0.000 0.000 0.204 93 D C 1.873 178.160 176.300 -0.022 0.000 0.978 93 D CA 0.954 54.934 54.000 -0.034 0.000 0.852 93 D CB -0.665 40.118 40.800 -0.028 0.000 1.008 93 D HN 0.322 nan 8.370 nan 0.000 0.458 94 E N 0.965 121.157 120.200 -0.015 0.000 2.301 94 E HA -0.302 4.048 4.350 -0.000 0.000 0.224 94 E C 1.178 177.772 176.600 -0.010 0.000 1.092 94 E CA 1.834 58.228 56.400 -0.010 0.000 0.913 94 E CB 0.085 29.781 29.700 -0.006 0.000 0.776 94 E HN 0.197 nan 8.360 nan 0.000 0.465 95 K N -0.661 119.732 120.400 -0.012 0.000 2.355 95 K HA 0.127 4.447 4.320 -0.000 0.000 0.198 95 K C -0.455 176.137 176.600 -0.013 0.000 1.039 95 K CA 0.087 56.368 56.287 -0.010 0.000 1.075 95 K CB 0.707 33.202 32.500 -0.008 0.000 0.870 95 K HN -0.007 nan 8.250 nan 0.000 0.540 96 K N 1.496 121.884 120.400 -0.019 0.000 4.215 96 K HA -0.125 4.195 4.320 -0.000 0.000 0.318 96 K C -1.172 175.414 176.600 -0.024 0.000 1.077 96 K CA 0.214 56.487 56.287 -0.022 0.000 0.979 96 K CB -1.634 30.856 32.500 -0.016 0.000 1.497 96 K HN 0.155 nan 8.250 nan 0.000 0.436 97 L N 2.529 123.732 121.223 -0.034 0.000 2.298 97 L HA 0.393 4.733 4.340 -0.000 0.000 0.284 97 L C 0.360 177.202 176.870 -0.046 0.000 1.013 97 L CA -0.428 54.391 54.840 -0.035 0.000 0.824 97 L CB 1.263 43.298 42.059 -0.040 0.000 1.221 97 L HN 0.407 nan 8.230 nan 0.000 0.418 98 Q N 2.764 122.547 119.800 -0.029 0.000 2.511 98 Q HA 0.778 5.117 4.340 -0.000 0.000 0.289 98 Q C -0.843 175.153 176.000 -0.007 0.000 1.021 98 Q CA -1.093 54.694 55.803 -0.027 0.000 0.785 98 Q CB 1.908 30.630 28.738 -0.027 0.000 1.472 98 Q HN 0.549 nan 8.270 nan 0.000 0.411 99 A N 0.866 123.688 122.820 0.003 0.000 2.639 99 A HA 0.280 4.600 4.320 -0.000 0.000 0.229 99 A C 1.235 178.827 177.584 0.014 0.000 1.062 99 A CA 1.501 53.549 52.037 0.018 0.000 0.761 99 A CB -0.898 18.115 19.000 0.022 0.000 0.988 99 A HN 2.143 nan 8.150 nan 0.000 0.510 100 A N 0.959 123.791 122.820 0.020 0.000 3.383 100 A HA -0.129 4.190 4.320 -0.000 0.000 0.264 100 A C 0.894 178.487 177.584 0.014 0.000 1.154 100 A CA 1.189 53.236 52.037 0.016 0.000 1.179 100 A CB -2.538 nan 19.000 nan 0.000 1.133 100 A HN 1.786 nan 8.150 nan 0.000 0.933 101 S N 0.138 115.846 115.700 0.013 0.000 2.528 101 S HA 0.469 4.939 4.470 -0.000 0.000 0.277 101 S C 0.433 175.044 174.600 0.017 0.000 1.297 101 S CA -0.346 57.861 58.200 0.010 0.000 1.052 101 S CB 0.795 63.997 63.200 0.003 0.000 0.917 101 S HN 0.457 nan 8.310 nan 0.000 0.492 102 R N 3.033 123.543 120.500 0.016 0.000 2.280 102 R HA 0.332 4.672 4.340 -0.000 0.000 0.326 102 R C 0.083 176.395 176.300 0.020 0.000 1.080 102 R CA -0.223 55.890 56.100 0.021 0.000 1.002 102 R CB 0.071 30.382 30.300 0.019 0.000 1.136 102 R HN 0.652 nan 8.270 nan 0.000 0.509 103 I N -1.004 119.581 120.570 0.025 0.000 2.566 103 I HA 0.451 4.621 4.170 -0.000 0.000 0.303 103 I C -0.200 175.936 176.117 0.031 0.000 0.983 103 I CA -0.549 60.765 61.300 0.023 0.000 1.235 103 I CB 2.049 40.059 38.000 0.017 0.000 1.386 103 I HN 0.138 nan 8.210 nan 0.000 0.494 104 T N 6.495 121.066 114.554 0.027 0.000 2.767 104 T HA 0.480 4.830 4.350 -0.000 0.000 0.284 104 T C -0.053 174.671 174.700 0.039 0.000 0.973 104 T CA -0.430 61.690 62.100 0.033 0.000 0.996 104 T CB 0.812 69.695 68.868 0.025 0.000 0.927 104 T HN 0.362 nan 8.240 nan 0.000 0.456 105 L N 4.293 125.550 121.223 0.056 0.000 2.260 105 L HA 0.509 4.849 4.340 -0.000 0.000 0.289 105 L C 0.602 177.512 176.870 0.066 0.000 1.057 105 L CA -0.622 54.259 54.840 0.068 0.000 0.811 105 L CB 0.695 42.822 42.059 0.113 0.000 1.184 105 L HN 0.408 nan 8.230 nan 0.000 0.429 106 R N 2.391 122.930 120.500 0.065 0.000 2.474 106 R HA 0.211 4.551 4.340 -0.000 0.000 0.295 106 R C -0.551 175.809 176.300 0.099 0.000 0.980 106 R CA -0.619 55.520 56.100 0.066 0.000 0.934 106 R CB 1.337 31.672 30.300 0.058 0.000 1.101 106 R HN 0.514 nan 8.270 nan 0.000 0.469 107 D N 5.093 125.534 120.400 0.067 0.000 2.313 107 D HA 0.006 4.646 4.640 -0.000 0.000 0.239 107 D C 1.021 177.346 176.300 0.043 0.000 1.142 107 D CA -0.358 53.670 54.000 0.047 0.000 0.847 107 D CB 0.613 41.382 40.800 -0.052 0.000 1.082 107 D HN 0.577 nan 8.370 nan 0.000 0.480 108 F N 4.253 124.219 119.950 0.025 0.000 2.171 108 F HA -0.071 4.456 4.527 -0.000 0.000 0.300 108 F C 1.943 177.758 175.800 0.024 0.000 1.090 108 F CA 0.564 58.578 58.000 0.023 0.000 1.293 108 F CB -0.350 38.666 39.000 0.027 0.000 1.013 108 F HN 0.207 nan 8.300 nan 0.000 0.486 109 R N 0.871 120.807 120.500 -0.939 0.000 2.127 109 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 109 R C 0.563 176.731 176.300 -0.219 0.000 1.134 109 R CA 1.636 57.377 56.100 -0.598 0.000 0.975 109 R CB -0.662 29.248 30.300 -0.651 0.000 0.865 109 R HN 0.617 nan 8.270 nan 0.000 0.447 110 D N -2.668 117.637 120.400 -0.157 0.000 2.530 110 D HA 0.017 4.657 4.640 -0.000 0.000 0.253 110 D C -0.439 175.842 176.300 -0.031 0.000 1.338 110 D CA -0.343 53.616 54.000 -0.069 0.000 0.806 110 D CB 0.060 40.832 40.800 -0.047 0.000 1.160 110 D HN -0.126 nan 8.370 nan 0.000 0.514 111 D N 0.466 120.856 120.400 -0.018 0.000 2.945 111 D HA -0.157 4.483 4.640 -0.000 0.000 0.225 111 D C -0.349 175.954 176.300 0.004 0.000 1.158 111 D CA 0.562 54.568 54.000 0.010 0.000 0.805 111 D CB -0.460 40.349 40.800 0.016 0.000 1.098 111 D HN 0.368 nan 8.370 nan 0.000 0.426 112 R N 0.826 121.320 120.500 -0.009 0.000 2.441 112 R HA 0.221 4.561 4.340 -0.000 0.000 0.284 112 R C 0.601 176.901 176.300 0.001 0.000 1.070 112 R CA -0.412 55.682 56.100 -0.010 0.000 1.047 112 R CB 0.454 30.739 30.300 -0.026 0.000 1.016 112 R HN 0.039 nan 8.270 nan 0.000 0.477 113 N N 3.529 122.231 118.700 0.004 0.000 2.411 113 N HA 0.093 4.833 4.740 -0.000 0.000 0.259 113 N C 0.937 176.452 175.510 0.009 0.000 1.103 113 N CA -0.005 53.053 53.050 0.012 0.000 0.954 113 N CB 1.188 39.682 38.487 0.011 0.000 1.085 113 N HN 0.409 nan 8.380 nan 0.000 0.485 114 L N 0.404 121.639 121.223 0.020 0.000 2.347 114 L HA 0.411 4.750 4.340 -0.000 0.000 0.196 114 L C 0.874 177.762 176.870 0.031 0.000 1.072 114 L CA 0.430 55.282 54.840 0.019 0.000 0.817 114 L CB -0.060 42.017 42.059 0.030 0.000 1.029 114 L HN 0.421 nan 8.230 nan 0.000 0.478 115 A N -0.091 122.761 122.820 0.054 0.000 2.556 115 A HA 0.735 5.054 4.320 -0.000 0.000 0.294 115 A C -1.240 176.383 177.584 0.065 0.000 1.091 115 A CA -0.404 51.670 52.037 0.062 0.000 0.704 115 A CB 1.557 20.613 19.000 0.092 0.000 1.300 115 A HN 0.082 nan 8.150 nan 0.000 0.406 116 I N 1.619 122.224 120.570 0.059 0.000 2.354 116 I HA 0.318 4.488 4.170 -0.000 0.000 0.286 116 I C -0.644 175.515 176.117 0.069 0.000 1.007 116 I CA -0.271 61.062 61.300 0.054 0.000 1.167 116 I CB 1.428 39.451 38.000 0.038 0.000 1.320 116 I HN 0.590 nan 8.210 nan 0.000 0.458 117 L N 6.469 127.741 121.223 0.082 0.000 2.264 117 L HA 0.437 4.777 4.340 -0.000 0.000 0.289 117 L C -0.199 176.713 176.870 0.071 0.000 1.044 117 L CA -0.017 54.883 54.840 0.100 0.000 0.807 117 L CB 1.102 43.243 42.059 0.137 0.000 1.192 117 L HN 0.506 nan 8.230 nan 0.000 0.425 118 T N 6.670 121.264 114.554 0.065 0.000 2.762 118 T HA 0.403 4.753 4.350 -0.000 0.000 0.303 118 T C 0.479 175.213 174.700 0.057 0.000 0.977 118 T CA -0.306 61.824 62.100 0.050 0.000 0.961 118 T CB -0.056 68.836 68.868 0.040 0.000 0.944 118 T HN 0.394 nan 8.240 nan 0.000 0.481 119 I N 2.776 123.377 120.570 0.053 0.000 3.058 119 I HA -0.087 4.083 4.170 -0.000 0.000 0.299 119 I C 0.831 176.984 176.117 0.060 0.000 1.238 119 I CA 0.456 61.791 61.300 0.060 0.000 1.423 119 I CB 0.388 38.414 38.000 0.043 0.000 1.330 119 I HN 0.629 nan 8.210 nan 0.000 0.589 120 D N 1.488 121.936 120.400 0.079 0.000 2.448 120 D HA 0.134 4.774 4.640 -0.000 0.000 0.256 120 D C -0.656 175.696 176.300 0.086 0.000 1.108 120 D CA 0.305 54.349 54.000 0.073 0.000 0.848 120 D CB 0.485 41.331 40.800 0.076 0.000 1.281 120 D HN 0.762 nan 8.370 nan 0.000 0.509 121 D N -1.267 119.206 120.400 0.121 0.000 2.804 121 D HA 0.233 4.873 4.640 -0.000 0.000 0.309 121 D C -0.831 175.568 176.300 0.166 0.000 1.311 121 D CA -0.631 53.461 54.000 0.153 0.000 0.765 121 D CB 0.721 41.643 40.800 0.203 0.000 1.293 121 D HN -0.128 nan 8.370 nan 0.000 0.434 122 I N -0.040 120.624 120.570 0.158 0.000 3.013 122 I HA 0.144 4.314 4.170 -0.000 0.000 0.321 122 I C -0.537 175.561 176.117 -0.032 0.000 1.497 122 I CA -0.794 60.512 61.300 0.011 0.000 0.862 122 I CB -0.001 37.946 38.000 -0.088 0.000 1.654 122 I HN 0.441 nan 8.210 nan 0.000 0.609 123 Y N 0.189 120.510 120.300 0.035 0.000 2.452 123 Y HA 0.458 5.008 4.550 -0.000 0.000 0.355 123 Y C 0.725 176.690 175.900 0.109 0.000 1.266 123 Y CA -0.468 57.668 58.100 0.060 0.000 1.514 123 Y CB 0.141 38.656 38.460 0.091 0.000 1.363 123 Y HN 0.182 nan 8.280 nan 0.000 0.677 124 R N 1.954 122.547 120.500 0.154 0.000 2.412 124 R HA 0.433 4.772 4.340 -0.000 0.000 0.304 124 R C -3.061 173.251 176.300 0.019 0.000 1.066 124 R CA -2.118 54.017 56.100 0.058 0.000 0.923 124 R CB -0.643 nan 30.300 nan 0.000 1.156 124 R HN 0.751 nan 8.270 nan 0.000 0.513 125 P HA 0.022 nan 4.420 nan 0.000 0.265 125 P C -0.911 176.387 177.300 -0.004 0.000 1.193 125 P CA -0.143 62.940 63.100 -0.028 0.000 0.765 125 P CB 1.050 32.414 31.700 -0.561 0.000 0.823 126 D N 3.456 123.931 120.400 0.125 0.000 2.597 126 D HA -0.020 4.620 4.640 -0.000 0.000 0.228 126 D C 0.910 177.256 176.300 0.078 0.000 1.120 126 D CA -0.009 54.035 54.000 0.072 0.000 1.083 126 D CB -0.150 40.695 40.800 0.075 0.000 1.116 126 D HN 0.247 nan 8.370 nan 0.000 0.487 127 K N 0.302 120.715 120.400 0.022 0.000 2.588 127 K HA -0.118 4.201 4.320 -0.000 0.000 0.196 127 K C 1.346 177.970 176.600 0.040 0.000 1.044 127 K CA 0.911 57.218 56.287 0.032 0.000 0.934 127 K CB 0.202 32.677 32.500 -0.041 0.000 0.773 127 K HN 0.312 nan 8.250 nan 0.000 0.489 128 T N 0.258 114.836 114.554 0.040 0.000 3.004 128 T HA -0.032 4.318 4.350 -0.000 0.000 0.243 128 T C 1.730 176.466 174.700 0.059 0.000 1.020 128 T CA 0.407 62.530 62.100 0.037 0.000 1.145 128 T CB 0.130 69.011 68.868 0.023 0.000 0.876 128 T HN 0.210 nan 8.240 nan 0.000 0.449 129 K N 1.466 121.904 120.400 0.062 0.000 1.973 129 K HA -0.155 4.165 4.320 -0.000 0.000 0.212 129 K C 2.268 178.924 176.600 0.094 0.000 1.047 129 K CA 1.594 57.918 56.287 0.061 0.000 0.937 129 K CB -0.177 32.347 32.500 0.040 0.000 0.721 129 K HN 0.362 nan 8.250 nan 0.000 0.440 130 E N 0.135 120.416 120.200 0.135 0.000 2.028 130 E HA -0.291 4.058 4.350 -0.000 0.000 0.217 130 E C 1.731 178.488 176.600 0.262 0.000 1.039 130 E CA 1.852 58.385 56.400 0.222 0.000 0.882 130 E CB -0.397 29.521 29.700 0.363 0.000 0.794 130 E HN 0.436 nan 8.360 nan 0.000 0.488 131 A N 0.927 123.875 122.820 0.213 0.000 2.159 131 A HA -0.258 4.061 4.320 -0.000 0.000 0.222 131 A C 2.070 179.756 177.584 0.171 0.000 1.163 131 A CA 1.964 54.096 52.037 0.158 0.000 0.664 131 A CB -0.552 18.452 19.000 0.007 0.000 0.803 131 A HN 0.245 nan 8.150 nan 0.000 0.470 132 K N -0.221 120.264 120.400 0.141 0.000 2.121 132 K HA 0.078 4.398 4.320 -0.000 0.000 0.203 132 K C 1.869 178.540 176.600 0.119 0.000 1.041 132 K CA 1.195 57.551 56.287 0.115 0.000 0.969 132 K CB -0.306 32.240 32.500 0.078 0.000 0.799 132 K HN 0.532 nan 8.250 nan 0.000 0.456 133 L N 0.239 121.522 121.223 0.100 0.000 2.127 133 L HA 0.027 4.367 4.340 -0.000 0.000 0.203 133 L C 2.424 179.329 176.870 0.058 0.000 1.080 133 L CA 0.371 55.255 54.840 0.073 0.000 0.768 133 L CB -0.733 41.352 42.059 0.044 0.000 0.924 133 L HN -0.206 nan 8.230 nan 0.000 0.444 134 V N -0.327 119.625 119.914 0.062 0.000 2.379 134 V HA -0.144 3.976 4.120 -0.000 0.000 0.245 134 V C 1.639 177.596 176.094 -0.228 0.000 1.044 134 V CA 1.742 63.992 62.300 -0.083 0.000 1.036 134 V CB -0.447 31.343 31.823 -0.054 0.000 0.664 134 V HN 0.303 nan 8.190 nan 0.000 0.453 135 F N -0.046 119.896 119.950 -0.012 0.000 2.647 135 F HA 0.550 5.076 4.527 -0.000 0.000 0.300 135 F C 1.673 177.501 175.800 0.047 0.000 1.106 135 F CA 0.520 58.479 58.000 -0.068 0.000 1.313 135 F CB 0.296 39.106 39.000 -0.316 0.000 1.007 135 F HN 0.214 nan 8.300 nan 0.000 0.536 136 G N -0.061 108.884 108.800 0.241 0.000 2.363 136 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.238 136 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.238 136 G C 1.157 176.157 174.900 0.166 0.000 1.062 136 G CA 0.166 45.402 45.100 0.226 0.000 0.629 136 G HN 1.145 nan 8.290 nan 0.000 0.514 137 G N 0.434 109.337 108.800 0.172 0.000 2.134 137 G HA2 0.135 4.095 3.960 -0.000 0.000 0.225 137 G HA3 0.135 4.095 3.960 -0.000 0.000 0.225 137 G C 0.005 174.995 174.900 0.149 0.000 1.944 137 G CA 0.944 46.122 45.100 0.131 0.000 1.512 137 G HN 1.929 nan 8.290 nan 0.000 0.493 138 D N 2.928 123.410 120.400 0.138 0.000 6.321 138 D HA -0.052 4.588 4.640 -0.000 0.000 0.124 138 D C -0.702 175.713 176.300 0.192 0.000 1.040 138 D CA 0.641 54.717 54.000 0.127 0.000 0.707 138 D CB 0.580 41.411 40.800 0.052 0.000 1.390 138 D HN 0.153 nan 8.370 nan 0.000 0.789 139 P HA -0.137 nan 4.420 nan 0.000 0.224 139 P C 0.787 178.169 177.300 0.136 0.000 1.142 139 P CA 1.083 64.240 63.100 0.095 0.000 0.778 139 P CB 0.236 31.965 31.700 0.049 0.000 0.764 140 E N -2.193 118.133 120.200 0.210 0.000 2.045 140 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 140 E C 0.736 177.547 176.600 0.351 0.000 0.968 140 E CA -0.064 56.495 56.400 0.265 0.000 0.813 140 E CB -0.572 29.299 29.700 0.286 0.000 0.780 140 E HN 0.286 nan 8.360 nan 0.000 0.455 141 H N 2.292 121.629 119.070 0.445 0.000 3.123 141 H HA -0.107 4.449 4.556 -0.000 0.000 0.275 141 H C -1.864 173.440 175.328 -0.040 0.000 0.864 141 H CA -0.199 55.842 56.048 -0.012 0.000 1.398 141 H CB 0.498 30.280 29.762 0.033 0.000 1.228 141 H HN -0.051 nan 8.280 nan 0.000 0.552 142 P HA -0.209 nan 4.420 nan 0.000 0.216 142 P C 1.161 178.582 177.300 0.202 0.000 1.157 142 P CA 2.710 65.860 63.100 0.083 0.000 0.880 142 P CB -0.049 31.615 31.700 -0.060 0.000 0.791 143 A N -1.590 121.450 122.820 0.367 0.000 1.930 143 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 143 A C 2.183 179.638 177.584 -0.214 0.000 1.175 143 A CA 1.320 53.338 52.037 -0.032 0.000 0.627 143 A CB -1.554 17.272 19.000 -0.290 0.000 0.815 143 A HN 0.089 nan 8.150 nan 0.000 0.443 144 I N -0.426 120.032 120.570 -0.186 0.000 2.113 144 I HA -0.208 3.962 4.170 -0.000 0.000 0.238 144 I C 2.299 178.397 176.117 -0.032 0.000 1.070 144 I CA 1.325 62.532 61.300 -0.156 0.000 1.332 144 I CB -0.165 37.818 38.000 -0.028 0.000 1.044 144 I HN 0.130 nan 8.210 nan 0.000 0.402 145 V N -0.213 119.732 119.914 0.050 0.000 2.828 145 V HA -0.310 3.810 4.120 -0.000 0.000 0.260 145 V C 1.973 178.099 176.094 0.053 0.000 1.101 145 V CA 1.815 64.146 62.300 0.051 0.000 1.123 145 V CB -1.041 30.829 31.823 0.079 0.000 0.704 145 V HN 0.501 nan 8.190 nan 0.000 0.493 146 Y N -0.340 119.927 120.300 -0.055 0.000 2.262 146 Y HA -0.001 4.549 4.550 -0.000 0.000 0.295 146 Y C 2.091 177.946 175.900 -0.076 0.000 1.121 146 Y CA 1.105 59.172 58.100 -0.054 0.000 1.144 146 Y CB -0.074 38.358 38.460 -0.046 0.000 1.043 146 Y HN 0.183 nan 8.280 nan 0.000 0.528 147 L N 1.381 122.597 121.223 -0.012 0.000 1.990 147 L HA -0.283 4.057 4.340 -0.000 0.000 0.213 147 L C 1.778 178.571 176.870 -0.128 0.000 1.072 147 L CA 2.169 56.959 54.840 -0.082 0.000 0.755 147 L CB -1.199 40.778 42.059 -0.136 0.000 0.889 147 L HN 0.292 nan 8.230 nan 0.000 0.432 148 N N -0.296 118.339 118.700 -0.108 0.000 2.171 148 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 148 N C 1.544 176.975 175.510 -0.131 0.000 1.021 148 N CA 1.622 54.609 53.050 -0.104 0.000 0.854 148 N CB -0.475 37.973 38.487 -0.065 0.000 0.994 148 N HN 0.463 nan 8.380 nan 0.000 0.426 149 N N -0.442 118.172 118.700 -0.144 0.000 2.336 149 N HA 0.015 4.755 4.740 -0.000 0.000 0.177 149 N C 1.434 176.807 175.510 -0.229 0.000 1.018 149 N CA 1.095 54.054 53.050 -0.153 0.000 0.878 149 N CB -0.195 38.228 38.487 -0.106 0.000 0.997 149 N HN 0.171 nan 8.380 nan 0.000 0.433 150 T N -0.194 114.125 114.554 -0.391 0.000 3.034 150 T HA 0.205 4.555 4.350 -0.000 0.000 0.248 150 T C 0.688 175.118 174.700 -0.450 0.000 1.040 150 T CA -0.101 61.692 62.100 -0.511 0.000 1.107 150 T CB 0.205 68.501 68.868 -0.953 0.000 0.932 150 T HN -0.143 nan 8.240 nan 0.000 0.474 151 V N 3.665 123.322 119.914 -0.428 0.000 2.585 151 V HA 0.168 4.288 4.120 -0.000 0.000 0.296 151 V C 0.530 176.523 176.094 -0.168 0.000 1.035 151 V CA -0.683 61.492 62.300 -0.209 0.000 1.084 151 V CB 0.272 32.063 31.823 -0.053 0.000 0.953 151 V HN 0.214 nan 8.190 nan 0.000 0.483 152 K N 3.065 123.387 120.400 -0.130 0.000 2.180 152 K HA 0.102 4.421 4.320 -0.000 0.000 0.251 152 K C 1.362 177.769 176.600 -0.322 0.000 1.014 152 K CA -0.131 56.040 56.287 -0.193 0.000 0.913 152 K CB 0.475 32.898 32.500 -0.128 0.000 1.008 152 K HN 0.800 nan 8.250 nan 0.000 0.490 153 E N 0.351 120.218 120.200 -0.554 0.000 2.097 153 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 153 E C -0.424 175.615 176.600 -0.935 0.000 1.000 153 E CA 1.364 57.237 56.400 -0.877 0.000 0.804 153 E CB 0.118 29.005 29.700 -1.356 0.000 0.740 153 E HN 0.389 nan 8.360 nan 0.000 0.454 154 F N -1.348 118.442 119.950 -0.266 0.000 2.561 154 F HA 0.455 4.982 4.527 -0.000 0.000 0.321 154 F C -0.594 175.017 175.800 -0.315 0.000 1.065 154 F CA -1.204 56.565 58.000 -0.385 0.000 0.934 154 F CB 0.714 39.548 39.000 -0.277 0.000 1.215 154 F HN -0.212 nan 8.300 nan 0.000 0.471 155 Y N 1.133 121.172 120.300 -0.435 0.000 2.387 155 Y HA 0.649 5.199 4.550 -0.000 0.000 0.330 155 Y C -0.058 175.568 175.900 -0.456 0.000 1.133 155 Y CA -1.202 56.590 58.100 -0.513 0.000 1.152 155 Y CB 1.895 39.935 38.460 -0.701 0.000 1.215 155 Y HN 0.343 nan 8.280 nan 0.000 0.466 156 I N 2.695 123.228 120.570 -0.061 0.000 2.405 156 I HA 0.292 4.462 4.170 -0.000 0.000 0.280 156 I C 0.502 176.681 176.117 0.103 0.000 1.027 156 I CA -0.329 60.968 61.300 -0.005 0.000 1.161 156 I CB 0.912 38.891 38.000 -0.036 0.000 1.300 156 I HN 0.683 nan 8.210 nan 0.000 0.463 157 G N 3.714 112.658 108.800 0.241 0.000 2.539 157 G HA2 0.687 4.647 3.960 -0.000 0.000 0.258 157 G HA3 0.687 4.647 3.960 -0.000 0.000 0.258 157 G C -0.108 174.900 174.900 0.181 0.000 1.202 157 G CA -0.294 44.965 45.100 0.265 0.000 0.851 157 G HN 0.873 nan 8.290 nan 0.000 0.556 158 G N 0.323 109.224 108.800 0.167 0.000 2.282 158 G HA2 0.344 4.304 3.960 -0.000 0.000 0.274 158 G HA3 0.344 4.304 3.960 -0.000 0.000 0.274 158 G C -0.684 174.291 174.900 0.125 0.000 1.718 158 G CA -0.969 44.206 45.100 0.126 0.000 0.927 158 G HN 0.583 nan 8.290 nan 0.000 0.733 159 K N 0.529 120.979 120.400 0.083 0.000 2.187 159 K HA 0.512 4.832 4.320 -0.000 0.000 0.247 159 K C 0.659 177.305 176.600 0.077 0.000 1.019 159 K CA -0.393 55.933 56.287 0.064 0.000 0.893 159 K CB 0.655 33.180 32.500 0.041 0.000 1.025 159 K HN 0.394 nan 8.250 nan 0.000 0.500 160 I N 1.064 121.670 120.570 0.059 0.000 2.797 160 I HA 0.279 4.448 4.170 -0.000 0.000 0.307 160 I C -0.145 175.997 176.117 0.042 0.000 1.033 160 I CA -0.580 60.758 61.300 0.064 0.000 1.071 160 I CB 1.880 39.915 38.000 0.059 0.000 1.255 160 I HN 0.490 nan 8.210 nan 0.000 0.445 161 E N 2.348 122.574 120.200 0.044 0.000 2.224 161 E HA 0.563 4.913 4.350 -0.000 0.000 0.265 161 E C -0.832 175.784 176.600 0.027 0.000 0.878 161 E CA -0.724 55.693 56.400 0.029 0.000 0.759 161 E CB 2.314 32.030 29.700 0.027 0.000 1.164 161 E HN 0.681 nan 8.360 nan 0.000 0.414 162 A N 2.805 125.634 122.820 0.015 0.000 2.404 162 A HA 0.202 4.522 4.320 -0.000 0.000 0.273 162 A C 0.599 178.186 177.584 0.005 0.000 1.144 162 A CA -0.211 51.831 52.037 0.009 0.000 0.806 162 A CB 0.609 19.608 19.000 -0.003 0.000 1.080 162 A HN 0.525 nan 8.150 nan 0.000 0.509 163 V N 2.618 122.536 119.914 0.006 0.000 3.455 163 V HA 0.296 4.416 4.120 -0.000 0.000 0.250 163 V C 0.044 176.133 176.094 -0.008 0.000 1.230 163 V CA 0.777 63.078 62.300 0.002 0.000 1.105 163 V CB -0.102 31.727 31.823 0.008 0.000 0.850 163 V HN 0.802 nan 8.190 nan 0.000 0.461 164 N N 0.074 118.766 118.700 -0.012 0.000 2.367 164 N HA 0.291 5.031 4.740 -0.000 0.000 0.278 164 N C 0.089 175.575 175.510 -0.040 0.000 1.117 164 N CA -0.367 52.667 53.050 -0.027 0.000 0.867 164 N CB 2.177 40.647 38.487 -0.028 0.000 1.649 164 N HN 0.040 nan 8.380 nan 0.000 0.479 165 K N 1.048 121.415 120.400 -0.055 0.000 2.113 165 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 165 K C -0.269 176.272 176.600 -0.100 0.000 1.047 165 K CA 1.080 57.325 56.287 -0.070 0.000 0.928 165 K CB 0.004 32.457 32.500 -0.078 0.000 0.716 165 K HN 0.446 nan 8.250 nan 0.000 0.446 166 L N 0.913 122.053 121.223 -0.138 0.000 1.545 166 L HA -0.140 4.200 4.340 -0.000 0.000 0.629 166 L C -1.924 174.710 176.870 -0.392 0.000 1.008 166 L CA 0.489 55.195 54.840 -0.223 0.000 1.322 166 L CB -2.016 39.925 42.059 -0.196 0.000 2.157 166 L HN 0.296 nan 8.230 nan 0.000 1.048 167 N N 5.694 124.184 118.700 -0.349 0.000 2.416 167 N HA 0.275 5.015 4.740 -0.000 0.000 0.265 167 N C -0.555 174.662 175.510 -0.489 0.000 1.195 167 N CA -0.394 52.400 53.050 -0.426 0.000 0.943 167 N CB 0.270 38.587 38.487 -0.284 0.000 1.115 167 N HN 0.434 nan 8.380 nan 0.000 0.481 168 H N 1.736 120.603 119.070 -0.339 0.000 2.469 168 H HA 0.135 4.691 4.556 -0.000 0.000 0.342 168 H C -0.272 174.839 175.328 -0.362 0.000 1.115 168 H CA -0.350 55.585 56.048 -0.187 0.000 1.204 168 H CB 1.089 30.783 29.762 -0.113 0.000 1.492 168 H HN 0.608 nan 8.280 nan 0.000 0.499 169 Y N 0.114 120.457 120.300 0.072 0.000 2.557 169 Y HA 0.054 4.604 4.550 -0.000 0.000 0.247 169 Y C 0.261 176.144 175.900 -0.029 0.000 1.164 169 Y CA -0.546 57.563 58.100 0.014 0.000 1.218 169 Y CB 0.787 39.251 38.460 0.005 0.000 1.210 169 Y HN 0.500 nan 8.280 nan 0.000 0.529 170 D N -1.432 118.998 120.400 0.051 0.000 2.498 170 D HA 0.144 4.784 4.640 -0.000 0.000 0.247 170 D C -0.275 175.922 176.300 -0.172 0.000 1.070 170 D CA -0.948 52.933 54.000 -0.197 0.000 0.842 170 D CB 0.895 41.531 40.800 -0.274 0.000 1.361 170 D HN 0.304 nan 8.370 nan 0.000 0.484 171 Y N 0.124 120.454 120.300 0.048 0.000 3.108 171 Y HA -0.317 4.232 4.550 -0.000 0.000 0.208 171 Y C 1.834 177.700 175.900 -0.057 0.000 1.245 171 Y CA 0.269 58.365 58.100 -0.006 0.000 1.171 171 Y CB -1.896 36.550 38.460 -0.023 0.000 1.331 171 Y HN 0.423 nan 8.280 nan 0.000 0.534 172 V N -2.662 117.269 119.914 0.028 0.000 2.392 172 V HA -0.295 3.824 4.120 -0.000 0.000 0.249 172 V C 2.213 178.234 176.094 -0.122 0.000 1.059 172 V CA 1.836 64.103 62.300 -0.054 0.000 1.051 172 V CB -0.790 30.991 31.823 -0.070 0.000 0.658 172 V HN 0.605 nan 8.190 nan 0.000 0.455 173 A N 0.605 123.378 122.820 -0.080 0.000 2.070 173 A HA 0.072 4.392 4.320 -0.000 0.000 0.220 173 A C 2.136 179.568 177.584 -0.254 0.000 1.159 173 A CA 2.015 53.961 52.037 -0.152 0.000 0.656 173 A CB -0.600 18.372 19.000 -0.046 0.000 0.800 173 A HN 0.658 nan 8.150 nan 0.000 0.453 174 L N -1.289 119.856 121.223 -0.128 0.000 2.585 174 L HA 0.152 4.492 4.340 -0.000 0.000 0.226 174 L C 0.586 177.400 176.870 -0.094 0.000 1.113 174 L CA -0.218 54.577 54.840 -0.076 0.000 0.876 174 L CB -0.027 42.032 42.059 -0.001 0.000 1.072 174 L HN 0.153 nan 8.230 nan 0.000 0.468 175 R N 0.492 120.872 120.500 -0.200 0.000 2.210 175 R HA 0.371 4.711 4.340 -0.000 0.000 0.338 175 R C -1.423 174.739 176.300 -0.232 0.000 1.062 175 R CA -0.145 55.876 56.100 -0.132 0.000 0.902 175 R CB 0.447 30.687 30.300 -0.099 0.000 1.050 175 R HN -0.033 nan 8.270 nan 0.000 0.461 176 Y N 0.397 120.677 120.300 -0.033 0.000 2.409 176 Y HA 0.204 4.754 4.550 -0.000 0.000 0.343 176 Y C 0.911 176.821 175.900 0.017 0.000 0.973 176 Y CA -0.726 57.347 58.100 -0.044 0.000 1.064 176 Y CB 2.207 40.605 38.460 -0.104 0.000 1.207 176 Y HN 0.536 nan 8.280 nan 0.000 0.452 177 T N -0.920 113.715 114.554 0.134 0.000 2.881 177 T HA 0.291 4.641 4.350 -0.000 0.000 0.278 177 T C -2.221 172.448 174.700 -0.052 0.000 0.982 177 T CA -2.201 59.920 62.100 0.035 0.000 0.989 177 T CB 1.640 70.491 68.868 -0.028 0.000 1.058 177 T HN 0.286 nan 8.240 nan 0.000 0.529 178 P HA 0.026 nan 4.420 nan 0.000 0.220 178 P C 1.522 178.712 177.300 -0.184 0.000 1.148 178 P CA 1.155 64.021 63.100 -0.391 0.000 0.803 178 P CB -0.243 31.144 31.700 -0.522 0.000 0.782 179 A N 0.072 122.816 122.820 -0.128 0.000 1.855 179 A HA -0.223 4.097 4.320 -0.000 0.000 0.215 179 A C 2.148 179.682 177.584 -0.083 0.000 1.191 179 A CA 1.620 53.604 52.037 -0.088 0.000 0.613 179 A CB -1.244 17.718 19.000 -0.064 0.000 0.829 179 A HN 0.136 nan 8.150 nan 0.000 0.442 180 E N -0.764 119.406 120.200 -0.051 0.000 2.085 180 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 180 E C 1.866 178.407 176.600 -0.100 0.000 0.994 180 E CA 1.280 57.678 56.400 -0.004 0.000 0.801 180 E CB -0.233 29.527 29.700 0.100 0.000 0.743 180 E HN 0.405 nan 8.360 nan 0.000 0.453 181 L N 0.788 121.862 121.223 -0.249 0.000 2.093 181 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 181 L C 2.134 178.517 176.870 -0.813 0.000 1.085 181 L CA 1.541 55.943 54.840 -0.730 0.000 0.755 181 L CB -0.247 41.407 42.059 -0.676 0.000 0.904 181 L HN -0.030 nan 8.230 nan 0.000 0.435 182 R N -1.717 118.570 120.500 -0.355 0.000 2.081 182 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 182 R C 2.160 178.393 176.300 -0.112 0.000 1.131 182 R CA 1.347 57.359 56.100 -0.148 0.000 0.960 182 R CB -0.525 29.744 30.300 -0.052 0.000 0.856 182 R HN 0.192 nan 8.270 nan 0.000 0.436 183 V N 0.105 119.947 119.914 -0.120 0.000 2.407 183 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 183 V C 2.125 178.159 176.094 -0.101 0.000 1.055 183 V CA 2.156 64.408 62.300 -0.079 0.000 1.049 183 V CB -0.558 31.231 31.823 -0.057 0.000 0.662 183 V HN 0.407 nan 8.190 nan 0.000 0.455 184 H N -0.292 118.603 119.070 -0.292 0.000 2.299 184 H HA -0.154 4.402 4.556 -0.000 0.000 0.302 184 H C 2.097 177.246 175.328 -0.299 0.000 1.078 184 H CA 2.147 57.989 56.048 -0.343 0.000 1.323 184 H CB -0.303 29.162 29.762 -0.494 0.000 1.381 184 H HN 0.432 nan 8.280 nan 0.000 0.498 185 F N -0.243 119.637 119.950 -0.117 0.000 2.250 185 F HA -0.169 4.357 4.527 -0.000 0.000 0.301 185 F C 2.158 177.888 175.800 -0.116 0.000 1.077 185 F CA 0.796 58.718 58.000 -0.131 0.000 1.348 185 F CB -0.021 39.012 39.000 0.054 0.000 1.040 185 F HN 0.352 nan 8.300 nan 0.000 0.509 186 D N 0.338 120.781 120.400 0.072 0.000 2.137 186 D HA -0.109 4.531 4.640 -0.000 0.000 0.202 186 D C 2.056 178.328 176.300 -0.047 0.000 0.970 186 D CA 0.966 54.982 54.000 0.028 0.000 0.837 186 D CB 0.063 40.871 40.800 0.013 0.000 0.981 186 D HN 0.012 nan 8.370 nan 0.000 0.475 187 K N -0.235 120.086 120.400 -0.131 0.000 2.147 187 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 187 K C 1.696 178.189 176.600 -0.180 0.000 1.049 187 K CA 0.720 56.912 56.287 -0.159 0.000 0.936 187 K CB -0.016 32.354 32.500 -0.216 0.000 0.722 187 K HN 0.287 nan 8.250 nan 0.000 0.446 188 L N -0.364 120.683 121.223 -0.293 0.000 2.591 188 L HA 0.120 4.459 4.340 -0.000 0.000 0.228 188 L C 1.169 178.075 176.870 0.061 0.000 1.133 188 L CA 0.272 54.952 54.840 -0.267 0.000 0.880 188 L CB 0.013 41.565 42.059 -0.844 0.000 1.033 188 L HN 0.375 nan 8.230 nan 0.000 0.450 189 G N -1.425 107.423 108.800 0.080 0.000 2.162 189 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.260 189 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.260 189 G C -0.168 174.903 174.900 0.285 0.000 0.976 189 G CA -0.395 44.799 45.100 0.156 0.000 0.655 189 G HN 0.221 nan 8.290 nan 0.000 0.533 190 W N 1.892 123.183 121.300 -0.015 0.000 2.397 190 W HA 0.525 5.185 4.660 -0.000 0.000 0.327 190 W C 1.244 177.713 176.519 -0.083 0.000 1.421 190 W CA 0.117 57.424 57.345 -0.063 0.000 1.288 190 W CB 0.251 29.656 29.460 -0.091 0.000 1.312 190 W HN 0.208 nan 8.180 nan 0.000 0.559 191 S N 3.452 119.182 115.700 0.050 0.000 2.755 191 S HA 0.211 4.681 4.470 -0.000 0.000 0.165 191 S C 0.463 174.998 174.600 -0.110 0.000 0.723 191 S CA -0.442 57.750 58.200 -0.013 0.000 0.867 191 S CB -0.339 62.846 63.200 -0.025 0.000 0.740 191 S HN 0.451 nan 8.310 nan 0.000 0.568 192 R N 1.715 122.122 120.500 -0.155 0.000 2.458 192 R HA 0.411 4.751 4.340 -0.000 0.000 0.303 192 R C -1.400 174.722 176.300 -0.296 0.000 1.013 192 R CA -0.045 55.912 56.100 -0.238 0.000 1.026 192 R CB -0.237 29.965 30.300 -0.163 0.000 0.948 192 R HN 0.181 nan 8.270 nan 0.000 0.417 193 V N 4.491 124.202 119.914 -0.338 0.000 2.443 193 V HA 0.166 4.286 4.120 -0.000 0.000 0.293 193 V C -0.178 175.808 176.094 -0.182 0.000 1.021 193 V CA -0.956 61.133 62.300 -0.351 0.000 0.848 193 V CB 2.018 33.489 31.823 -0.587 0.000 0.998 193 V HN 0.579 nan 8.190 nan 0.000 0.424 194 V N 4.823 124.682 119.914 -0.091 0.000 2.385 194 V HA 0.658 4.778 4.120 -0.000 0.000 0.269 194 V C 0.714 176.839 176.094 0.052 0.000 1.043 194 V CA -0.201 62.128 62.300 0.049 0.000 0.906 194 V CB 1.361 33.217 31.823 0.055 0.000 0.995 194 V HN 0.976 nan 8.190 nan 0.000 0.467 195 A N 5.432 128.348 122.820 0.160 0.000 2.293 195 A HA 0.812 5.131 4.320 -0.000 0.000 0.302 195 A C -0.976 176.763 177.584 0.258 0.000 1.119 195 A CA -0.309 51.861 52.037 0.222 0.000 0.823 195 A CB 0.736 19.938 19.000 0.337 0.000 1.097 195 A HN 0.693 nan 8.150 nan 0.000 0.491 196 F N 0.940 120.901 119.950 0.019 0.000 2.518 196 F HA 0.564 5.091 4.527 -0.000 0.000 0.323 196 F C -0.254 175.524 175.800 -0.037 0.000 1.129 196 F CA -0.788 57.161 58.000 -0.084 0.000 0.920 196 F CB 2.194 41.122 39.000 -0.121 0.000 1.160 196 F HN 0.623 nan 8.300 nan 0.000 0.440 197 Q N 4.149 123.559 119.800 -0.650 0.000 2.271 197 Q HA 0.641 4.981 4.340 -0.000 0.000 0.258 197 Q C -1.307 174.116 176.000 -0.962 0.000 0.936 197 Q CA -0.037 55.439 55.803 -0.545 0.000 0.909 197 Q CB 1.837 30.525 28.738 -0.083 0.000 1.253 197 Q HN 0.782 nan 8.270 nan 0.000 0.440 198 T N 2.612 116.752 114.554 -0.690 0.000 2.840 198 T HA 0.580 4.930 4.350 -0.000 0.000 0.317 198 T C -1.054 173.483 174.700 -0.272 0.000 1.401 198 T CA -0.581 61.193 62.100 -0.544 0.000 1.028 198 T CB 0.746 69.287 68.868 -0.545 0.000 1.317 198 T HN 0.777 nan 8.240 nan 0.000 0.495 199 R N 1.392 121.804 120.500 -0.147 0.000 2.569 199 R HA 0.425 4.765 4.340 -0.000 0.000 0.422 199 R C -0.238 176.069 176.300 0.011 0.000 0.980 199 R CA -0.702 55.369 56.100 -0.048 0.000 1.164 199 R CB 0.192 30.456 30.300 -0.060 0.000 1.520 199 R HN 0.281 nan 8.270 nan 0.000 0.567 200 N N 0.983 119.699 118.700 0.027 0.000 2.509 200 N HA 0.280 5.020 4.740 -0.000 0.000 0.280 200 N C -2.333 173.200 175.510 0.038 0.000 1.306 200 N CA -1.884 51.183 53.050 0.028 0.000 0.782 200 N CB 2.031 40.534 38.487 0.027 0.000 1.493 200 N HN -0.339 nan 8.380 nan 0.000 0.498 201 P HA -0.113 nan 4.420 nan 0.000 0.218 201 P C -0.166 176.994 177.300 -0.234 0.000 1.147 201 P CA 1.275 64.219 63.100 -0.259 0.000 0.827 201 P CB 0.177 31.728 31.700 -0.249 0.000 0.778 202 M N -1.636 117.912 119.600 -0.087 0.000 4.037 202 M HA -0.206 4.274 4.480 -0.000 0.000 0.157 202 M C 0.283 176.564 176.300 -0.031 0.000 1.531 202 M CA 0.539 55.959 55.300 0.200 0.000 1.094 202 M CB -0.570 32.222 32.600 0.321 0.000 1.345 202 M HN 0.259 nan 8.290 nan 0.000 0.203 203 H N 1.621 120.793 119.070 0.170 0.000 3.584 203 H HA 0.358 4.914 4.556 -0.000 0.000 0.154 203 H C 1.234 176.503 175.328 -0.100 0.000 1.584 203 H CA 0.099 56.055 56.048 -0.154 0.000 1.585 203 H CB 0.074 29.460 29.762 -0.627 0.000 0.705 203 H HN 0.605 nan 8.280 nan 0.000 0.748 204 R N 0.694 121.087 120.500 -0.177 0.000 2.128 204 R HA 0.190 4.530 4.340 -0.000 0.000 0.211 204 R C 1.965 178.058 176.300 -0.345 0.000 1.067 204 R CA 1.377 57.344 56.100 -0.222 0.000 1.010 204 R CB -0.779 29.200 30.300 -0.535 0.000 0.922 204 R HN 0.461 nan 8.270 nan 0.000 0.457 205 A N -0.224 122.343 122.820 -0.421 0.000 2.015 205 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 205 A C 1.711 179.109 177.584 -0.310 0.000 1.163 205 A CA 1.518 53.324 52.037 -0.385 0.000 0.646 205 A CB -0.799 18.052 19.000 -0.249 0.000 0.806 205 A HN 0.621 nan 8.150 nan 0.000 0.448 206 H N -1.364 117.554 119.070 -0.253 0.000 2.326 206 H HA -0.055 4.501 4.556 -0.000 0.000 0.301 206 H C 2.323 177.448 175.328 -0.337 0.000 1.081 206 H CA 1.008 56.863 56.048 -0.321 0.000 1.334 206 H CB 0.033 29.659 29.762 -0.228 0.000 1.385 206 H HN 0.280 nan 8.280 nan 0.000 0.504 207 R N 1.449 121.871 120.500 -0.130 0.000 2.249 207 R HA -0.136 4.204 4.340 -0.000 0.000 0.230 207 R C 0.993 177.111 176.300 -0.304 0.000 1.121 207 R CA 1.175 57.103 56.100 -0.287 0.000 0.997 207 R CB -0.016 30.089 30.300 -0.324 0.000 0.867 207 R HN 0.468 nan 8.270 nan 0.000 0.465 208 E N 0.191 120.214 120.200 -0.296 0.000 2.190 208 E HA -0.009 4.341 4.350 -0.000 0.000 0.191 208 E C 2.088 178.568 176.600 -0.201 0.000 0.978 208 E CA 0.177 56.400 56.400 -0.295 0.000 0.839 208 E CB -0.084 29.332 29.700 -0.473 0.000 0.787 208 E HN 0.299 nan 8.360 nan 0.000 0.473 209 L N 1.234 122.331 121.223 -0.210 0.000 1.973 209 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 209 L C 2.778 179.546 176.870 -0.170 0.000 1.073 209 L CA 2.120 56.850 54.840 -0.183 0.000 0.746 209 L CB -1.010 40.885 42.059 -0.273 0.000 0.891 209 L HN 0.254 nan 8.230 nan 0.000 0.433 210 T N -2.461 111.948 114.554 -0.241 0.000 2.607 210 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 210 T C 1.804 176.473 174.700 -0.053 0.000 1.049 210 T CA 1.746 63.745 62.100 -0.168 0.000 1.162 210 T CB -1.104 67.662 68.868 -0.170 0.000 0.863 210 T HN 0.088 nan 8.240 nan 0.000 0.424 211 V N 2.090 121.991 119.914 -0.021 0.000 2.255 211 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 211 V C 3.195 179.263 176.094 -0.044 0.000 1.051 211 V CA 1.956 64.248 62.300 -0.014 0.000 1.018 211 V CB -0.669 31.114 31.823 -0.066 0.000 0.641 211 V HN 0.426 nan 8.190 nan 0.000 0.445 212 R N 0.158 120.622 120.500 -0.060 0.000 2.091 212 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 212 R C 2.360 178.637 176.300 -0.037 0.000 1.136 212 R CA 1.637 57.712 56.100 -0.043 0.000 0.959 212 R CB -1.157 29.120 30.300 -0.038 0.000 0.856 212 R HN 0.559 nan 8.270 nan 0.000 0.437 213 A N 0.984 123.777 122.820 -0.044 0.000 1.930 213 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 213 A C 2.364 179.921 177.584 -0.046 0.000 1.175 213 A CA 1.676 53.690 52.037 -0.039 0.000 0.627 213 A CB -0.440 18.538 19.000 -0.037 0.000 0.815 213 A HN 0.345 nan 8.150 nan 0.000 0.443 214 A N -0.423 122.367 122.820 -0.050 0.000 1.897 214 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 214 A C 2.200 179.747 177.584 -0.063 0.000 1.181 214 A CA 1.233 53.234 52.037 -0.060 0.000 0.620 214 A CB -0.407 18.541 19.000 -0.087 0.000 0.821 214 A HN 0.484 nan 8.150 nan 0.000 0.443 215 R N 0.309 120.777 120.500 -0.054 0.000 2.193 215 R HA -0.095 4.245 4.340 -0.000 0.000 0.229 215 R C 2.330 178.606 176.300 -0.040 0.000 1.110 215 R CA 1.465 57.535 56.100 -0.049 0.000 0.988 215 R CB -0.180 30.097 30.300 -0.038 0.000 0.871 215 R HN 0.733 nan 8.270 nan 0.000 0.458 216 S N -0.224 115.454 115.700 -0.037 0.000 2.458 216 S HA 0.065 4.535 4.470 -0.000 0.000 0.223 216 S C 1.535 176.113 174.600 -0.035 0.000 1.019 216 S CA 0.084 58.265 58.200 -0.032 0.000 0.937 216 S CB 0.284 63.467 63.200 -0.028 0.000 0.788 216 S HN 0.103 nan 8.310 nan 0.000 0.511 217 R N 1.101 121.576 120.500 -0.041 0.000 2.388 217 R HA 0.289 4.629 4.340 -0.000 0.000 0.247 217 R C -0.120 176.182 176.300 0.003 0.000 0.931 217 R CA -0.060 56.024 56.100 -0.028 0.000 1.082 217 R CB -0.679 29.585 30.300 -0.060 0.000 1.135 217 R HN 0.379 nan 8.270 nan 0.000 0.525 218 Q N -0.606 119.176 119.800 -0.029 0.000 2.439 218 Q HA -0.203 4.137 4.340 -0.000 0.000 0.325 218 Q C -0.496 175.456 176.000 -0.081 0.000 1.372 218 Q CA 1.140 56.913 55.803 -0.050 0.000 0.909 218 Q CB -1.665 27.052 28.738 -0.035 0.000 1.167 218 Q HN 0.472 nan 8.270 nan 0.000 0.418 219 A N 0.073 122.828 122.820 -0.108 0.000 2.475 219 A HA 0.796 5.115 4.320 -0.000 0.000 0.281 219 A C -0.011 177.384 177.584 -0.315 0.000 1.263 219 A CA -0.711 51.213 52.037 -0.189 0.000 0.776 219 A CB 1.131 20.074 19.000 -0.095 0.000 1.347 219 A HN 0.220 nan 8.150 nan 0.000 0.443 220 N N -0.992 117.407 118.700 -0.503 0.000 2.476 220 N HA 0.582 5.322 4.740 -0.000 0.000 0.276 220 N C -1.223 174.014 175.510 -0.454 0.000 1.204 220 N CA -0.181 52.423 53.050 -0.744 0.000 0.974 220 N CB 1.730 39.184 38.487 -1.721 0.000 1.204 220 N HN 0.331 nan 8.380 nan 0.000 0.543 221 V N 1.744 121.430 119.914 -0.380 0.000 2.448 221 V HA 0.325 4.445 4.120 -0.000 0.000 0.295 221 V C -0.416 175.612 176.094 -0.110 0.000 1.025 221 V CA -0.800 61.373 62.300 -0.210 0.000 0.859 221 V CB 1.599 33.283 31.823 -0.232 0.000 0.988 221 V HN 0.409 nan 8.190 nan 0.000 0.431 222 L N 6.808 127.993 121.223 -0.065 0.000 2.277 222 L HA 0.597 4.937 4.340 -0.000 0.000 0.284 222 L C -0.400 176.447 176.870 -0.039 0.000 1.028 222 L CA 0.218 55.039 54.840 -0.032 0.000 0.835 222 L CB 0.746 42.791 42.059 -0.023 0.000 1.215 222 L HN 0.555 nan 8.230 nan 0.000 0.425 223 I N 5.339 125.856 120.570 -0.089 0.000 2.322 223 I HA 0.143 4.312 4.170 -0.000 0.000 0.292 223 I C 0.160 176.255 176.117 -0.037 0.000 1.060 223 I CA 0.115 61.387 61.300 -0.047 0.000 1.309 223 I CB 0.233 38.143 38.000 -0.151 0.000 1.415 223 I HN 0.636 nan 8.210 nan 0.000 0.492 224 H N 7.597 126.578 119.070 -0.147 0.000 2.412 224 H HA 0.273 4.829 4.556 -0.000 0.000 0.239 224 H C -2.251 172.890 175.328 -0.312 0.000 1.388 224 H CA -2.129 53.788 56.048 -0.220 0.000 1.148 224 H CB 0.563 30.220 29.762 -0.175 0.000 1.637 224 H HN 0.371 nan 8.280 nan 0.000 0.542 225 P HA -0.037 nan 4.420 nan 0.000 0.269 225 P C 0.078 177.182 177.300 -0.326 0.000 1.215 225 P CA -0.014 62.830 63.100 -0.426 0.000 0.780 225 P CB 2.088 33.332 31.700 -0.760 0.000 0.898 226 V N 2.332 122.093 119.914 -0.256 0.000 2.743 226 V HA 0.496 4.615 4.120 -0.000 0.000 0.301 226 V C 0.748 176.793 176.094 -0.082 0.000 1.057 226 V CA -0.423 61.751 62.300 -0.209 0.000 1.006 226 V CB 1.328 33.028 31.823 -0.205 0.000 1.024 226 V HN 0.608 nan 8.190 nan 0.000 0.473 227 V N -0.030 119.835 119.914 -0.081 0.000 2.969 227 V HA 0.962 5.082 4.120 -0.000 0.000 0.304 227 V C -0.022 176.032 176.094 -0.066 0.000 1.192 227 V CA 0.081 62.363 62.300 -0.030 0.000 0.962 227 V CB 1.255 33.096 31.823 0.030 0.000 1.045 227 V HN 1.013 nan 8.190 nan 0.000 0.428 228 G N 2.600 111.363 108.800 -0.062 0.000 2.630 228 G HA2 0.617 4.577 3.960 -0.000 0.000 0.223 228 G HA3 0.617 4.577 3.960 -0.000 0.000 0.223 228 G C -0.302 174.569 174.900 -0.049 0.000 1.434 228 G CA -1.137 43.948 45.100 -0.026 0.000 1.057 228 G HN 0.857 nan 8.290 nan 0.000 0.570 229 L N 0.355 121.592 121.223 0.024 0.000 2.395 229 L HA 0.275 4.615 4.340 -0.000 0.000 0.269 229 L C 0.291 177.124 176.870 -0.062 0.000 1.133 229 L CA -0.289 54.577 54.840 0.043 0.000 0.812 229 L CB 1.303 43.457 42.059 0.159 0.000 1.125 229 L HN 0.301 nan 8.230 nan 0.000 0.452 230 T N 2.777 117.267 114.554 -0.108 0.000 2.737 230 T HA 0.150 4.500 4.350 -0.000 0.000 0.296 230 T C 0.078 174.759 174.700 -0.032 0.000 0.922 230 T CA -0.491 61.487 62.100 -0.204 0.000 1.079 230 T CB 0.179 68.897 68.868 -0.251 0.000 0.892 230 T HN 0.355 nan 8.240 nan 0.000 0.514 231 K N 5.303 125.702 120.400 -0.002 0.000 2.338 231 K HA 0.139 4.459 4.320 -0.000 0.000 0.290 231 K C -1.680 175.006 176.600 0.144 0.000 1.069 231 K CA -1.770 54.566 56.287 0.082 0.000 0.941 231 K CB 0.765 33.319 32.500 0.090 0.000 1.023 231 K HN 0.256 nan 8.250 nan 0.000 0.477 232 P HA -0.247 nan 4.420 nan 0.000 0.221 232 P C 0.646 178.072 177.300 0.210 0.000 1.151 232 P CA 1.307 64.512 63.100 0.174 0.000 0.843 232 P CB 0.244 31.990 31.700 0.076 0.000 0.778 233 G N -1.927 106.982 108.800 0.183 0.000 4.100 233 G HA2 0.024 3.984 3.960 -0.000 0.000 0.294 233 G HA3 0.024 3.984 3.960 -0.000 0.000 0.294 233 G C -0.324 174.698 174.900 0.202 0.000 1.040 233 G CA -0.075 45.112 45.100 0.145 0.000 0.829 233 G HN 0.072 nan 8.290 nan 0.000 0.505 234 D N 1.823 122.410 120.400 0.311 0.000 2.801 234 D HA 0.075 4.715 4.640 -0.000 0.000 0.232 234 D C 1.968 178.516 176.300 0.413 0.000 1.128 234 D CA -0.712 53.450 54.000 0.271 0.000 1.003 234 D CB -0.224 40.686 40.800 0.184 0.000 1.110 234 D HN 0.028 nan 8.370 nan 0.000 0.477 235 I N 0.903 121.678 120.570 0.341 0.000 2.182 235 I HA -0.336 3.834 4.170 -0.000 0.000 0.248 235 I C 1.670 177.992 176.117 0.341 0.000 1.073 235 I CA 1.230 62.737 61.300 0.344 0.000 1.335 235 I CB -0.687 37.389 38.000 0.128 0.000 1.031 235 I HN 0.348 nan 8.210 nan 0.000 0.420 236 D N -0.368 120.164 120.400 0.220 0.000 2.149 236 D HA -0.271 4.369 4.640 -0.000 0.000 0.194 236 D C 2.053 178.439 176.300 0.143 0.000 1.001 236 D CA 2.008 56.096 54.000 0.146 0.000 0.849 236 D CB -0.384 40.481 40.800 0.109 0.000 0.939 236 D HN 0.538 nan 8.370 nan 0.000 0.449 237 H N 0.106 119.225 119.070 0.081 0.000 2.290 237 H HA -0.157 4.399 4.556 -0.000 0.000 0.298 237 H C 1.951 177.256 175.328 -0.038 0.000 1.087 237 H CA 1.736 57.758 56.048 -0.042 0.000 1.291 237 H CB -0.669 28.989 29.762 -0.173 0.000 1.369 237 H HN 0.070 nan 8.280 nan 0.000 0.492 238 F N -0.286 119.649 119.950 -0.024 0.000 2.269 238 F HA -0.126 4.401 4.527 -0.000 0.000 0.301 238 F C 2.800 178.571 175.800 -0.048 0.000 1.082 238 F CA 1.410 59.414 58.000 0.007 0.000 1.360 238 F CB -0.908 38.161 39.000 0.116 0.000 1.041 238 F HN 0.188 nan 8.300 nan 0.000 0.512 239 T N -0.379 114.257 114.554 0.137 0.000 2.737 239 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 239 T C 2.310 176.949 174.700 -0.101 0.000 1.038 239 T CA 0.928 63.049 62.100 0.034 0.000 1.144 239 T CB -0.084 68.808 68.868 0.040 0.000 0.866 239 T HN 0.091 nan 8.240 nan 0.000 0.434 240 R N 0.492 120.889 120.500 -0.172 0.000 2.080 240 R HA -0.089 4.251 4.340 -0.000 0.000 0.236 240 R C 2.414 178.418 176.300 -0.494 0.000 1.137 240 R CA 1.362 57.250 56.100 -0.353 0.000 0.943 240 R CB -0.946 29.188 30.300 -0.276 0.000 0.846 240 R HN 0.270 nan 8.270 nan 0.000 0.431 241 V N 0.994 120.680 119.914 -0.380 0.000 2.287 241 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 241 V C 2.513 178.436 176.094 -0.284 0.000 1.053 241 V CA 1.860 63.947 62.300 -0.354 0.000 1.027 241 V CB -0.500 30.841 31.823 -0.803 0.000 0.646 241 V HN 0.384 nan 8.190 nan 0.000 0.447 242 R N -0.310 120.059 120.500 -0.218 0.000 2.105 242 R HA -0.161 4.179 4.340 -0.000 0.000 0.239 242 R C 2.399 178.639 176.300 -0.100 0.000 1.135 242 R CA 1.448 57.484 56.100 -0.106 0.000 0.967 242 R CB -0.546 29.744 30.300 -0.017 0.000 0.861 242 R HN 0.572 nan 8.270 nan 0.000 0.442 243 A N 0.399 123.117 122.820 -0.170 0.000 1.877 243 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 243 A C 1.898 179.424 177.584 -0.097 0.000 1.186 243 A CA 1.158 53.096 52.037 -0.166 0.000 0.620 243 A CB -0.862 17.968 19.000 -0.284 0.000 0.822 243 A HN 0.373 nan 8.150 nan 0.000 0.443 244 Y N 0.042 120.286 120.300 -0.093 0.000 2.128 244 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 244 Y C 2.899 178.751 175.900 -0.080 0.000 1.154 244 Y CA 1.494 59.543 58.100 -0.085 0.000 1.149 244 Y CB -0.290 38.100 38.460 -0.117 0.000 0.976 244 Y HN 0.413 nan 8.280 nan 0.000 0.505 245 Q N -0.243 119.588 119.800 0.052 0.000 2.170 245 Q HA -0.174 4.166 4.340 -0.000 0.000 0.203 245 Q C 2.491 178.496 176.000 0.009 0.000 0.976 245 Q CA 1.102 56.909 55.803 0.006 0.000 0.858 245 Q CB -0.260 28.454 28.738 -0.040 0.000 0.907 245 Q HN 0.524 nan 8.270 nan 0.000 0.433 246 A N 0.702 123.522 122.820 -0.001 0.000 2.014 246 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 246 A C 1.975 179.534 177.584 -0.042 0.000 1.163 246 A CA 0.697 52.726 52.037 -0.014 0.000 0.652 246 A CB -0.303 18.689 19.000 -0.013 0.000 0.808 246 A HN 0.340 nan 8.150 nan 0.000 0.449 247 L N -0.647 120.561 121.223 -0.024 0.000 2.217 247 L HA 0.051 4.391 4.340 -0.000 0.000 0.211 247 L C 2.036 178.910 176.870 0.006 0.000 1.107 247 L CA 1.141 55.935 54.840 -0.075 0.000 0.783 247 L CB -0.332 41.751 42.059 0.039 0.000 0.919 247 L HN 0.373 nan 8.230 nan 0.000 0.442 248 L N -0.000 121.267 121.223 0.074 0.000 2.079 248 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 248 L C -0.358 176.583 176.870 0.119 0.000 1.081 248 L CA 1.397 56.312 54.840 0.125 0.000 0.752 248 L CB -1.277 40.809 42.059 0.045 0.000 0.896 248 L HN 0.305 nan 8.230 nan 0.000 0.433 249 P HA -0.037 nan 4.420 nan 0.000 0.245 249 P C 0.844 178.124 177.300 -0.033 0.000 1.212 249 P CA 0.538 63.648 63.100 0.017 0.000 0.774 249 P CB 0.075 31.775 31.700 -0.000 0.000 0.999 250 R N -1.494 118.922 120.500 -0.139 0.000 2.319 250 R HA 0.136 4.476 4.340 -0.000 0.000 0.204 250 R C -0.089 176.027 176.300 -0.307 0.000 0.954 250 R CA 0.034 55.950 56.100 -0.306 0.000 1.066 250 R CB -0.625 29.215 30.300 -0.767 0.000 0.991 250 R HN 0.331 nan 8.270 nan 0.000 0.486 251 Y N 0.874 121.111 120.300 -0.106 0.000 2.361 251 Y HA 0.286 4.836 4.550 -0.000 0.000 0.332 251 Y C -1.699 174.179 175.900 -0.037 0.000 1.101 251 Y CA -2.606 55.452 58.100 -0.070 0.000 1.137 251 Y CB 0.874 39.297 38.460 -0.060 0.000 1.207 251 Y HN -0.089 nan 8.280 nan 0.000 0.463 252 P HA -0.173 nan 4.420 nan 0.000 0.260 252 P C -0.284 177.069 177.300 0.089 0.000 1.172 252 P CA 0.304 63.442 63.100 0.063 0.000 0.760 252 P CB 0.303 32.030 31.700 0.044 0.000 0.773 253 N N 3.304 122.046 118.700 0.070 0.000 2.223 253 N HA -0.123 4.617 4.740 -0.000 0.000 0.271 253 N C 1.359 176.927 175.510 0.096 0.000 1.315 253 N CA 1.897 54.995 53.050 0.080 0.000 0.835 253 N CB -0.157 38.367 38.487 0.061 0.000 1.066 253 N HN 0.747 nan 8.380 nan 0.000 0.486 254 G N 3.914 112.790 108.800 0.128 0.000 2.184 254 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.264 254 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.264 254 G C 0.917 175.945 174.900 0.213 0.000 0.975 254 G CA 0.637 45.853 45.100 0.193 0.000 0.642 254 G HN 0.648 nan 8.290 nan 0.000 0.536 255 M N 0.243 119.901 119.600 0.098 0.000 2.200 255 M HA 0.450 4.930 4.480 -0.000 0.000 0.265 255 M C 1.403 177.642 176.300 -0.102 0.000 1.066 255 M CA 2.104 57.382 55.300 -0.037 0.000 1.127 255 M CB -0.035 32.570 32.600 0.008 0.000 1.379 255 M HN 0.816 nan 8.290 nan 0.000 0.420 256 A N -0.190 122.625 122.820 -0.008 0.000 2.386 256 A HA 0.703 5.023 4.320 -0.000 0.000 0.308 256 A C -1.058 176.599 177.584 0.121 0.000 1.128 256 A CA -0.739 51.260 52.037 -0.064 0.000 0.789 256 A CB 1.592 20.253 19.000 -0.565 0.000 1.325 256 A HN 0.118 nan 8.150 nan 0.000 0.437 257 V N 0.675 120.640 119.914 0.086 0.000 2.735 257 V HA 0.522 4.642 4.120 -0.000 0.000 0.310 257 V C -1.098 174.931 176.094 -0.107 0.000 1.061 257 V CA -0.595 61.704 62.300 -0.002 0.000 0.913 257 V CB 1.633 33.406 31.823 -0.085 0.000 1.005 257 V HN 0.821 nan 8.190 nan 0.000 0.428 258 L N 3.576 124.741 121.223 -0.095 0.000 2.280 258 L HA 0.925 5.265 4.340 -0.000 0.000 0.287 258 L C 0.194 177.058 176.870 -0.011 0.000 1.023 258 L CA 0.139 54.930 54.840 -0.081 0.000 0.819 258 L CB 0.842 42.865 42.059 -0.060 0.000 1.212 258 L HN 0.790 nan 8.230 nan 0.000 0.420 259 G N 5.864 114.653 108.800 -0.017 0.000 2.687 259 G HA2 0.550 4.510 3.960 -0.000 0.000 0.301 259 G HA3 0.550 4.510 3.960 -0.000 0.000 0.301 259 G C -1.485 173.502 174.900 0.145 0.000 1.416 259 G CA -0.676 44.501 45.100 0.128 0.000 1.005 259 G HN 0.590 nan 8.290 nan 0.000 0.509 260 L N 2.027 123.301 121.223 0.086 0.000 2.276 260 L HA 0.428 4.768 4.340 -0.000 0.000 0.286 260 L C -0.396 176.415 176.870 -0.099 0.000 1.061 260 L CA -0.894 53.922 54.840 -0.040 0.000 0.807 260 L CB 1.621 43.659 42.059 -0.035 0.000 1.177 260 L HN 0.333 nan 8.230 nan 0.000 0.429 261 L N 3.272 124.311 121.223 -0.306 0.000 2.276 261 L HA 0.475 4.815 4.340 -0.000 0.000 0.286 261 L C 0.638 177.338 176.870 -0.284 0.000 1.024 261 L CA 0.014 54.593 54.840 -0.435 0.000 0.826 261 L CB 1.264 42.761 42.059 -0.935 0.000 1.211 261 L HN 0.562 nan 8.230 nan 0.000 0.422 262 G N 5.674 114.358 108.800 -0.192 0.000 2.924 262 G HA2 0.331 4.291 3.960 -0.000 0.000 0.273 262 G HA3 0.331 4.291 3.960 -0.000 0.000 0.273 262 G C -0.532 174.300 174.900 -0.113 0.000 0.734 262 G CA -0.160 44.857 45.100 -0.139 0.000 2.065 262 G HN 0.565 nan 8.290 nan 0.000 0.580 263 L N 1.808 122.946 121.223 -0.142 0.000 2.317 263 L HA 0.811 5.151 4.340 -0.000 0.000 0.281 263 L C 0.169 177.045 176.870 0.011 0.000 1.024 263 L CA -0.997 53.784 54.840 -0.097 0.000 0.810 263 L CB 1.864 43.776 42.059 -0.246 0.000 1.240 263 L HN 0.192 nan 8.230 nan 0.000 0.427 264 A N 6.529 129.436 122.820 0.145 0.000 2.366 264 A HA 0.561 4.881 4.320 -0.000 0.000 0.322 264 A C -0.062 177.691 177.584 0.281 0.000 1.397 264 A CA -0.529 51.613 52.037 0.174 0.000 0.984 264 A CB -0.336 18.779 19.000 0.192 0.000 1.149 264 A HN 0.829 nan 8.150 nan 0.000 0.540 265 M N 1.465 121.187 119.600 0.203 0.000 2.243 265 M HA 0.237 4.717 4.480 -0.000 0.000 0.341 265 M C 0.994 177.440 176.300 0.242 0.000 1.130 265 M CA 0.050 55.523 55.300 0.288 0.000 1.162 265 M CB 0.772 33.484 32.600 0.187 0.000 1.497 265 M HN 0.643 nan 8.290 nan 0.000 0.456 266 R N 1.352 122.036 120.500 0.308 0.000 2.397 266 R HA 0.302 4.642 4.340 -0.000 0.000 0.241 266 R C -0.202 176.282 176.300 0.307 0.000 0.914 266 R CA 0.165 56.431 56.100 0.277 0.000 1.071 266 R CB 0.236 30.755 30.300 0.364 0.000 1.116 266 R HN 0.707 nan 8.270 nan 0.000 0.524 267 M N -0.157 119.568 119.600 0.207 0.000 2.253 267 M HA -0.153 4.327 4.480 -0.000 0.000 0.199 267 M C 0.430 176.888 176.300 0.263 0.000 0.342 267 M CA 1.153 56.536 55.300 0.137 0.000 0.417 267 M CB -2.327 30.287 32.600 0.023 0.000 1.338 267 M HN 0.314 nan 8.290 nan 0.000 0.920 268 G N -0.013 108.926 108.800 0.233 0.000 3.639 268 G HA2 0.455 4.415 3.960 -0.000 0.000 0.279 268 G HA3 0.455 4.415 3.960 -0.000 0.000 0.279 268 G C 1.201 176.037 174.900 -0.107 0.000 1.312 268 G CA 0.595 45.815 45.100 0.201 0.000 1.355 268 G HN 1.012 nan 8.290 nan 0.000 0.595 269 G N 1.451 110.083 108.800 -0.280 0.000 2.582 269 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.369 269 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.369 269 G C -0.444 174.208 174.900 -0.414 0.000 1.370 269 G CA 0.468 45.155 45.100 -0.688 0.000 0.955 269 G HN 0.320 nan 8.290 nan 0.000 0.525 270 P HA -0.194 nan 4.420 nan 0.000 0.222 270 P C 2.050 179.250 177.300 -0.167 0.000 1.154 270 P CA 2.325 65.309 63.100 -0.194 0.000 0.874 270 P CB -0.115 31.515 31.700 -0.117 0.000 0.787 271 R N -0.910 119.469 120.500 -0.202 0.000 2.119 271 R HA -0.079 4.261 4.340 -0.000 0.000 0.222 271 R C 2.336 178.523 176.300 -0.188 0.000 1.088 271 R CA 1.062 57.037 56.100 -0.208 0.000 0.984 271 R CB -0.337 29.813 30.300 -0.250 0.000 0.884 271 R HN 0.304 nan 8.270 nan 0.000 0.447 272 E N 0.576 120.680 120.200 -0.160 0.000 2.072 272 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 272 E C 1.806 178.306 176.600 -0.167 0.000 0.982 272 E CA 0.986 57.352 56.400 -0.058 0.000 0.803 272 E CB 0.016 29.681 29.700 -0.059 0.000 0.755 272 E HN 0.285 nan 8.360 nan 0.000 0.453 273 A N 1.641 124.378 122.820 -0.139 0.000 1.852 273 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 273 A C 2.212 179.731 177.584 -0.108 0.000 1.215 273 A CA 2.000 53.955 52.037 -0.136 0.000 0.641 273 A CB -1.130 17.760 19.000 -0.185 0.000 0.838 273 A HN 0.401 nan 8.150 nan 0.000 0.450 274 I N -2.250 118.240 120.570 -0.132 0.000 2.290 274 I HA -0.324 3.846 4.170 -0.000 0.000 0.253 274 I C 2.368 178.382 176.117 -0.170 0.000 1.112 274 I CA 1.918 63.114 61.300 -0.174 0.000 1.377 274 I CB -0.309 37.526 38.000 -0.276 0.000 1.060 274 I HN 0.784 nan 8.210 nan 0.000 0.428 275 W N 1.524 122.608 121.300 -0.360 0.000 2.379 275 W HA -0.155 4.505 4.660 -0.000 0.000 0.307 275 W C 2.530 178.892 176.519 -0.263 0.000 1.200 275 W CA 1.625 58.724 57.345 -0.410 0.000 1.297 275 W CB -0.920 28.331 29.460 -0.347 0.000 1.140 275 W HN 0.186 nan 8.180 nan 0.000 0.507 276 H N -0.555 118.358 119.070 -0.261 0.000 2.319 276 H HA -0.162 4.394 4.556 -0.000 0.000 0.299 276 H C 2.324 177.205 175.328 -0.745 0.000 1.092 276 H CA 1.426 57.194 56.048 -0.466 0.000 1.302 276 H CB -0.430 29.271 29.762 -0.101 0.000 1.373 276 H HN 0.188 nan 8.280 nan 0.000 0.497 277 A N 0.935 123.424 122.820 -0.552 0.000 1.948 277 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 277 A C 2.379 179.684 177.584 -0.464 0.000 1.177 277 A CA 1.530 53.175 52.037 -0.652 0.000 0.636 277 A CB -0.670 18.172 19.000 -0.262 0.000 0.815 277 A HN 0.353 nan 8.150 nan 0.000 0.449 278 I N -0.519 119.805 120.570 -0.409 0.000 2.353 278 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 278 I C 2.196 178.157 176.117 -0.260 0.000 1.119 278 I CA 0.948 62.002 61.300 -0.411 0.000 1.417 278 I CB -0.254 37.404 38.000 -0.569 0.000 1.078 278 I HN 0.307 nan 8.210 nan 0.000 0.421 279 I N 0.341 120.753 120.570 -0.265 0.000 2.208 279 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 279 I C 2.633 178.771 176.117 0.035 0.000 1.097 279 I CA 1.288 62.529 61.300 -0.097 0.000 1.363 279 I CB -0.373 37.476 38.000 -0.253 0.000 1.051 279 I HN 0.165 nan 8.210 nan 0.000 0.413 280 R N 0.985 121.368 120.500 -0.195 0.000 2.073 280 R HA -0.096 4.243 4.340 -0.000 0.000 0.229 280 R C 2.175 178.471 176.300 -0.008 0.000 1.120 280 R CA 1.074 57.114 56.100 -0.101 0.000 0.967 280 R CB -0.594 29.521 30.300 -0.308 0.000 0.862 280 R HN 0.284 nan 8.270 nan 0.000 0.436 281 K N 0.502 120.846 120.400 -0.094 0.000 2.103 281 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 281 K C 1.193 177.806 176.600 0.022 0.000 1.048 281 K CA 1.697 57.964 56.287 -0.035 0.000 0.930 281 K CB -0.076 32.380 32.500 -0.074 0.000 0.716 281 K HN 0.070 nan 8.250 nan 0.000 0.444 282 N N 0.493 119.208 118.700 0.025 0.000 2.309 282 N HA -0.117 4.623 4.740 -0.000 0.000 0.182 282 N C 1.038 176.525 175.510 -0.039 0.000 1.018 282 N CA 1.081 54.138 53.050 0.013 0.000 0.876 282 N CB -0.290 38.203 38.487 0.010 0.000 0.972 282 N HN 0.390 nan 8.380 nan 0.000 0.434 283 H N -1.035 118.034 119.070 -0.001 0.000 2.547 283 H HA 0.241 4.797 4.556 -0.000 0.000 0.266 283 H C 1.287 176.659 175.328 0.072 0.000 0.988 283 H CA 0.709 56.758 56.048 0.001 0.000 1.147 283 H CB 0.002 29.760 29.762 -0.006 0.000 1.365 283 H HN 0.310 nan 8.280 nan 0.000 0.589 284 G N -0.636 108.273 108.800 0.181 0.000 2.176 284 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.232 284 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.232 284 G C 0.456 175.463 174.900 0.178 0.000 0.986 284 G CA 0.001 45.244 45.100 0.239 0.000 0.643 284 G HN 0.647 nan 8.290 nan 0.000 0.522 285 A N 0.307 123.193 122.820 0.110 0.000 2.388 285 A HA 0.712 5.032 4.320 -0.000 0.000 0.257 285 A C 1.584 179.128 177.584 -0.068 0.000 1.095 285 A CA 1.385 53.411 52.037 -0.018 0.000 0.791 285 A CB 0.521 19.542 19.000 0.035 0.000 1.029 285 A HN 1.499 nan 8.150 nan 0.000 0.489 286 T N -0.648 113.790 114.554 -0.194 0.000 3.051 286 T HA 0.158 4.508 4.350 -0.000 0.000 0.255 286 T C 0.555 175.060 174.700 -0.325 0.000 1.085 286 T CA 0.809 62.719 62.100 -0.316 0.000 1.109 286 T CB -0.212 68.326 68.868 -0.549 0.000 0.921 286 T HN 0.681 nan 8.240 nan 0.000 0.488 287 H N -0.561 118.527 119.070 0.030 0.000 2.865 287 H HA 0.703 5.258 4.556 -0.000 0.000 0.372 287 H C -1.864 173.583 175.328 0.197 0.000 1.173 287 H CA -1.726 54.369 56.048 0.078 0.000 1.147 287 H CB 1.601 31.381 29.762 0.030 0.000 1.805 287 H HN 0.212 nan 8.280 nan 0.000 0.553 288 F N 1.306 121.342 119.950 0.143 0.000 2.581 288 F HA 0.462 4.989 4.527 -0.000 0.000 0.311 288 F C -1.078 174.772 175.800 0.084 0.000 1.113 288 F CA -0.886 57.164 58.000 0.084 0.000 0.935 288 F CB 1.082 40.100 39.000 0.031 0.000 1.232 288 F HN 0.370 nan 8.300 nan 0.000 0.445 289 I N 6.033 126.329 120.570 -0.458 0.000 2.342 289 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 289 I C -0.839 174.956 176.117 -0.537 0.000 1.010 289 I CA -0.800 60.335 61.300 -0.274 0.000 1.308 289 I CB 1.290 39.309 38.000 0.032 0.000 1.400 289 I HN 0.220 nan 8.210 nan 0.000 0.488 290 V N 5.961 125.728 119.914 -0.246 0.000 2.378 290 V HA 0.554 4.674 4.120 -0.000 0.000 0.288 290 V C 0.609 176.602 176.094 -0.168 0.000 1.016 290 V CA -0.493 61.657 62.300 -0.250 0.000 0.840 290 V CB 1.246 32.947 31.823 -0.204 0.000 0.994 290 V HN 0.904 nan 8.190 nan 0.000 0.431 291 G N 3.727 112.540 108.800 0.022 0.000 2.531 291 G HA2 0.519 4.479 3.960 -0.000 0.000 0.313 291 G HA3 0.519 4.479 3.960 -0.000 0.000 0.313 291 G C -0.342 174.373 174.900 -0.309 0.000 1.238 291 G CA -1.001 43.920 45.100 -0.298 0.000 0.994 291 G HN 0.619 nan 8.290 nan 0.000 0.493 292 R N 0.705 120.914 120.500 -0.484 0.000 2.449 292 R HA 0.151 4.491 4.340 -0.000 0.000 0.296 292 R C -0.516 175.733 176.300 -0.085 0.000 1.047 292 R CA 0.118 56.001 56.100 -0.362 0.000 1.018 292 R CB 0.256 30.334 30.300 -0.370 0.000 0.962 292 R HN 0.611 nan 8.270 nan 0.000 0.428 293 D N 0.800 121.168 120.400 -0.055 0.000 2.800 293 D HA -0.206 4.434 4.640 -0.000 0.000 0.232 293 D C -0.252 176.078 176.300 0.050 0.000 1.137 293 D CA 0.965 54.989 54.000 0.040 0.000 0.718 293 D CB -1.459 39.386 40.800 0.076 0.000 1.084 293 D HN 0.693 nan 8.370 nan 0.000 0.432 294 H N -0.108 118.934 119.070 -0.046 0.000 3.034 294 H HA 0.304 4.859 4.556 -0.000 0.000 0.324 294 H C 1.344 176.649 175.328 -0.038 0.000 1.015 294 H CA 1.370 57.408 56.048 -0.017 0.000 1.429 294 H CB 0.497 30.244 29.762 -0.025 0.000 1.429 294 H HN 0.301 nan 8.280 nan 0.000 0.585 295 A N 2.816 125.500 122.820 -0.226 0.000 2.829 295 A HA -0.183 4.137 4.320 -0.000 0.000 0.267 295 A C 1.099 178.666 177.584 -0.028 0.000 1.370 295 A CA 1.022 53.001 52.037 -0.097 0.000 0.900 295 A CB -2.175 16.800 19.000 -0.042 0.000 1.044 295 A HN 1.110 nan 8.150 nan 0.000 0.691 296 G N -1.093 107.709 108.800 0.004 0.000 2.483 296 G HA2 0.467 4.427 3.960 -0.000 0.000 0.248 296 G HA3 0.467 4.427 3.960 -0.000 0.000 0.248 296 G C -1.063 173.870 174.900 0.056 0.000 1.248 296 G CA -0.454 44.709 45.100 0.105 0.000 0.838 296 G HN 0.260 nan 8.290 nan 0.000 0.566 297 P HA 0.192 nan 4.420 nan 0.000 0.261 297 P C 1.302 178.599 177.300 -0.006 0.000 1.268 297 P CA 0.758 63.738 63.100 -0.200 0.000 0.833 297 P CB 0.677 31.881 31.700 -0.827 0.000 1.231 298 G N 0.505 109.387 108.800 0.136 0.000 2.652 298 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.278 298 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.278 298 G C 0.225 175.294 174.900 0.282 0.000 1.263 298 G CA 0.312 45.521 45.100 0.181 0.000 0.966 298 G HN 0.569 nan 8.290 nan 0.000 0.544 299 S N 0.825 116.675 115.700 0.250 0.000 2.798 299 S HA 0.791 5.260 4.470 -0.000 0.000 0.312 299 S C -0.193 174.534 174.600 0.211 0.000 1.122 299 S CA 0.418 58.727 58.200 0.180 0.000 0.949 299 S CB 2.093 65.343 63.200 0.084 0.000 1.235 299 S HN 1.890 nan 8.310 nan 0.000 0.552 300 N N -0.978 117.693 118.700 -0.048 0.000 2.966 300 N HA 0.412 5.152 4.740 -0.000 0.000 0.314 300 N C 1.008 176.496 175.510 -0.036 0.000 1.397 300 N CA -0.228 52.770 53.050 -0.087 0.000 0.776 300 N CB 0.236 38.453 38.487 -0.450 0.000 1.576 300 N HN 0.645 nan 8.380 nan 0.000 0.592 301 S N 0.340 116.027 115.700 -0.022 0.000 2.401 301 S HA -0.364 4.106 4.470 -0.000 0.000 0.236 301 S C 1.341 175.929 174.600 -0.020 0.000 1.058 301 S CA 1.775 59.970 58.200 -0.008 0.000 1.151 301 S CB -0.999 62.197 63.200 -0.008 0.000 1.049 301 S HN 0.793 nan 8.310 nan 0.000 0.432 302 K N 1.560 121.934 120.400 -0.043 0.000 2.515 302 K HA 0.146 4.466 4.320 -0.000 0.000 0.196 302 K C 1.496 178.075 176.600 -0.034 0.000 1.038 302 K CA 0.953 57.218 56.287 -0.037 0.000 0.967 302 K CB -0.911 31.561 32.500 -0.047 0.000 0.780 302 K HN 0.997 nan 8.250 nan 0.000 0.483 303 G N 1.332 110.107 108.800 -0.041 0.000 2.148 303 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.203 303 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.203 303 G C -0.693 174.181 174.900 -0.043 0.000 0.993 303 G CA -0.223 44.862 45.100 -0.024 0.000 0.661 303 G HN 0.452 nan 8.290 nan 0.000 0.518 304 E N 1.444 121.583 120.200 -0.102 0.000 2.316 304 E HA 0.305 4.655 4.350 -0.000 0.000 0.275 304 E C -0.647 175.860 176.600 -0.154 0.000 1.029 304 E CA -0.532 55.788 56.400 -0.133 0.000 0.871 304 E CB 0.797 30.381 29.700 -0.193 0.000 1.022 304 E HN 0.247 nan 8.360 nan 0.000 0.418 305 D N 3.261 123.629 120.400 -0.053 0.000 2.358 305 D HA -0.009 4.631 4.640 -0.000 0.000 0.258 305 D C 0.626 176.923 176.300 -0.005 0.000 1.223 305 D CA 0.143 54.166 54.000 0.038 0.000 0.886 305 D CB 0.448 41.302 40.800 0.091 0.000 1.120 305 D HN 0.396 nan 8.370 nan 0.000 0.482 306 F N 1.357 121.240 119.950 -0.112 0.000 2.120 306 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 306 F C 0.787 176.284 175.800 -0.505 0.000 1.095 306 F CA 1.366 59.154 58.000 -0.354 0.000 1.249 306 F CB -0.270 38.409 39.000 -0.534 0.000 0.995 306 F HN 0.382 nan 8.300 nan 0.000 0.480 307 Y N -1.770 118.693 120.300 0.271 0.000 2.605 307 Y HA 0.590 5.140 4.550 -0.000 0.000 0.343 307 Y C 0.680 176.660 175.900 0.133 0.000 1.036 307 Y CA -1.726 56.482 58.100 0.179 0.000 1.065 307 Y CB 0.547 39.107 38.460 0.166 0.000 1.288 307 Y HN -0.229 nan 8.280 nan 0.000 0.481 308 G N 0.544 109.521 108.800 0.296 0.000 2.476 308 G HA2 0.342 4.302 3.960 -0.000 0.000 0.269 308 G HA3 0.342 4.302 3.960 -0.000 0.000 0.269 308 G C -2.194 172.830 174.900 0.208 0.000 1.195 308 G CA -1.454 43.776 45.100 0.216 0.000 0.843 308 G HN 0.428 nan 8.290 nan 0.000 0.545 309 P HA -0.054 nan 4.420 nan 0.000 0.229 309 P C -0.170 176.984 177.300 -0.243 0.000 1.150 309 P CA 1.198 64.323 63.100 0.040 0.000 0.765 309 P CB 0.047 31.829 31.700 0.136 0.000 0.783 310 Y N -3.008 117.321 120.300 0.048 0.000 2.717 310 Y HA 0.153 4.703 4.550 -0.000 0.000 0.250 310 Y C 1.272 177.205 175.900 0.054 0.000 1.149 310 Y CA -0.480 57.639 58.100 0.031 0.000 1.211 310 Y CB -0.334 38.141 38.460 0.024 0.000 1.289 310 Y HN -0.152 nan 8.280 nan 0.000 0.552 311 D N 0.521 121.024 120.400 0.172 0.000 2.264 311 D HA -0.087 4.553 4.640 -0.000 0.000 0.208 311 D C 2.056 178.414 176.300 0.096 0.000 0.966 311 D CA 1.221 55.304 54.000 0.139 0.000 0.864 311 D CB 0.162 41.063 40.800 0.169 0.000 0.933 311 D HN 0.388 nan 8.370 nan 0.000 0.499 312 A N 0.720 123.563 122.820 0.038 0.000 1.843 312 A HA -0.143 4.177 4.320 -0.000 0.000 0.213 312 A C 2.081 179.670 177.584 0.008 0.000 1.202 312 A CA 0.857 52.886 52.037 -0.014 0.000 0.607 312 A CB -0.506 18.478 19.000 -0.027 0.000 0.847 312 A HN 0.124 nan 8.150 nan 0.000 0.445 313 Q N -0.958 118.847 119.800 0.008 0.000 2.096 313 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 313 Q C 2.084 178.137 176.000 0.087 0.000 0.982 313 Q CA 1.566 57.377 55.803 0.014 0.000 0.850 313 Q CB -0.449 28.292 28.738 0.005 0.000 0.901 313 Q HN 0.854 nan 8.270 nan 0.000 0.422 314 H N 0.353 119.459 119.070 0.060 0.000 2.462 314 H HA 0.079 4.634 4.556 -0.000 0.000 0.292 314 H C 1.769 177.140 175.328 0.071 0.000 1.049 314 H CA 1.254 57.344 56.048 0.069 0.000 1.334 314 H CB 0.259 30.073 29.762 0.086 0.000 1.404 314 H HN 0.252 nan 8.280 nan 0.000 0.544 315 A N 0.358 123.299 122.820 0.201 0.000 1.929 315 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 315 A C 2.743 180.405 177.584 0.130 0.000 1.176 315 A CA 1.181 53.321 52.037 0.171 0.000 0.628 315 A CB -0.621 18.440 19.000 0.102 0.000 0.816 315 A HN 0.277 nan 8.150 nan 0.000 0.444 316 V N 1.169 121.119 119.914 0.060 0.000 2.548 316 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 316 V C 2.474 178.613 176.094 0.075 0.000 1.055 316 V CA 2.023 64.356 62.300 0.055 0.000 1.065 316 V CB -0.861 30.973 31.823 0.018 0.000 0.681 316 V HN 0.909 nan 8.190 nan 0.000 0.462 317 E N 0.561 120.767 120.200 0.010 0.000 2.204 317 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 317 E C 1.993 178.566 176.600 -0.046 0.000 0.989 317 E CA 1.057 57.438 56.400 -0.031 0.000 0.824 317 E CB -0.299 29.343 29.700 -0.097 0.000 0.756 317 E HN 0.536 nan 8.360 nan 0.000 0.477 318 K N 0.043 120.421 120.400 -0.037 0.000 2.057 318 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 318 K C 1.285 177.791 176.600 -0.156 0.000 1.049 318 K CA 1.701 57.923 56.287 -0.109 0.000 0.931 318 K CB -0.167 32.292 32.500 -0.068 0.000 0.714 318 K HN 0.271 nan 8.250 nan 0.000 0.440 319 Y N 0.719 121.002 120.300 -0.029 0.000 2.449 319 Y HA 0.114 4.664 4.550 -0.000 0.000 0.254 319 Y C 1.909 177.806 175.900 -0.004 0.000 1.140 319 Y CA -0.227 57.868 58.100 -0.008 0.000 1.272 319 Y CB -0.024 38.434 38.460 -0.003 0.000 1.114 319 Y HN -0.031 nan 8.280 nan 0.000 0.525 320 K N 1.337 121.813 120.400 0.127 0.000 2.032 320 K HA -0.313 4.006 4.320 -0.000 0.000 0.218 320 K C 0.860 177.501 176.600 0.068 0.000 1.054 320 K CA 2.752 59.087 56.287 0.080 0.000 0.941 320 K CB -0.318 32.210 32.500 0.047 0.000 0.720 320 K HN 0.331 nan 8.250 nan 0.000 0.449 321 D N -0.052 120.374 120.400 0.043 0.000 2.104 321 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 321 D C 1.966 178.297 176.300 0.052 0.000 0.994 321 D CA 1.602 55.624 54.000 0.037 0.000 0.830 321 D CB -0.025 40.782 40.800 0.012 0.000 0.959 321 D HN 0.414 nan 8.370 nan 0.000 0.452 322 E N 0.265 120.502 120.200 0.062 0.000 2.058 322 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 322 E C 2.071 178.744 176.600 0.120 0.000 0.997 322 E CA 0.697 57.147 56.400 0.084 0.000 0.801 322 E CB -0.062 29.698 29.700 0.100 0.000 0.746 322 E HN 0.284 nan 8.360 nan 0.000 0.450 323 L N -0.977 120.330 121.223 0.140 0.000 2.131 323 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 323 L C 2.062 178.996 176.870 0.107 0.000 1.092 323 L CA 1.080 56.004 54.840 0.141 0.000 0.759 323 L CB -0.323 41.772 42.059 0.060 0.000 0.903 323 L HN 0.578 nan 8.230 nan 0.000 0.435 324 G N 0.034 108.883 108.800 0.081 0.000 2.399 324 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.216 324 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.216 324 G C 0.318 175.254 174.900 0.060 0.000 1.096 324 G CA 0.080 45.219 45.100 0.066 0.000 0.650 324 G HN 0.221 nan 8.290 nan 0.000 0.512 325 I N 2.462 123.064 120.570 0.054 0.000 2.634 325 I HA 0.364 4.533 4.170 -0.000 0.000 0.284 325 I C 0.417 176.608 176.117 0.123 0.000 1.124 325 I CA -0.214 61.128 61.300 0.069 0.000 1.417 325 I CB 0.539 38.559 38.000 0.034 0.000 1.396 325 I HN 0.299 nan 8.210 nan 0.000 0.571 326 E N 5.530 125.865 120.200 0.224 0.000 2.242 326 E HA 0.361 4.711 4.350 -0.000 0.000 0.275 326 E C -1.070 175.638 176.600 0.179 0.000 1.002 326 E CA -0.836 55.694 56.400 0.217 0.000 0.841 326 E CB 2.152 32.013 29.700 0.269 0.000 1.109 326 E HN 0.315 nan 8.360 nan 0.000 0.394 327 V N 2.296 122.257 119.914 0.078 0.000 2.509 327 V HA 0.151 4.271 4.120 -0.000 0.000 0.284 327 V C -0.011 176.069 176.094 -0.025 0.000 1.047 327 V CA -0.589 61.741 62.300 0.050 0.000 0.952 327 V CB 1.546 33.389 31.823 0.033 0.000 0.988 327 V HN 0.413 nan 8.190 nan 0.000 0.469 328 V N 4.210 124.108 119.914 -0.026 0.000 2.266 328 V HA 0.271 4.391 4.120 -0.000 0.000 0.266 328 V C 0.213 176.300 176.094 -0.011 0.000 1.036 328 V CA -0.597 61.677 62.300 -0.044 0.000 0.828 328 V CB 0.479 32.273 31.823 -0.048 0.000 1.081 328 V HN 0.924 nan 8.190 nan 0.000 0.449 329 E N 3.587 123.773 120.200 -0.025 0.000 2.417 329 E HA 0.231 4.581 4.350 -0.000 0.000 0.261 329 E C -0.337 176.267 176.600 0.006 0.000 1.000 329 E CA -0.108 56.255 56.400 -0.062 0.000 0.919 329 E CB 0.623 30.292 29.700 -0.051 0.000 0.955 329 E HN 0.592 nan 8.360 nan 0.000 0.455 330 F N 1.266 121.225 119.950 0.015 0.000 2.385 330 F HA 0.266 4.793 4.527 -0.000 0.000 0.336 330 F C 0.093 175.924 175.800 0.051 0.000 1.100 330 F CA -1.254 56.762 58.000 0.027 0.000 1.116 330 F CB 0.653 39.675 39.000 0.036 0.000 1.166 330 F HN 0.296 nan 8.300 nan 0.000 0.511 331 Q N 4.577 124.615 119.800 0.398 0.000 2.769 331 Q HA 0.303 4.643 4.340 -0.000 0.000 0.375 331 Q C -0.346 175.854 176.000 0.333 0.000 0.996 331 Q CA -0.587 55.400 55.803 0.307 0.000 1.042 331 Q CB 0.603 29.447 28.738 0.177 0.000 1.329 331 Q HN 0.919 nan 8.270 nan 0.000 0.427 332 M N 2.182 122.079 119.600 0.495 0.000 2.207 332 M HA -0.121 4.358 4.480 -0.000 0.000 0.392 332 M C 0.038 176.441 176.300 0.171 0.000 1.286 332 M CA 0.351 55.775 55.300 0.207 0.000 0.828 332 M CB 0.507 33.185 32.600 0.131 0.000 1.903 332 M HN 0.574 nan 8.290 nan 0.000 0.499 333 V N 2.105 122.094 119.914 0.126 0.000 3.262 333 V HA 0.705 4.825 4.120 -0.000 0.000 0.313 333 V C 0.028 176.233 176.094 0.186 0.000 1.070 333 V CA -0.533 61.857 62.300 0.149 0.000 1.049 333 V CB 1.671 33.588 31.823 0.157 0.000 1.157 333 V HN 0.902 nan 8.190 nan 0.000 0.454 334 T N -0.546 114.123 114.554 0.193 0.000 2.797 334 T HA 0.547 4.897 4.350 -0.000 0.000 0.267 334 T C -1.431 173.427 174.700 0.263 0.000 0.986 334 T CA -0.361 61.868 62.100 0.215 0.000 0.999 334 T CB 1.255 70.196 68.868 0.121 0.000 1.508 334 T HN 0.863 nan 8.240 nan 0.000 0.595 335 Y N 0.588 120.856 120.300 -0.053 0.000 2.446 335 Y HA 0.657 5.207 4.550 -0.000 0.000 0.345 335 Y C -1.313 174.363 175.900 -0.372 0.000 0.984 335 Y CA -1.612 56.294 58.100 -0.323 0.000 1.058 335 Y CB 1.204 39.392 38.460 -0.453 0.000 1.220 335 Y HN 0.458 nan 8.280 nan 0.000 0.455 336 L N 9.018 129.562 121.223 -1.131 0.000 2.366 336 L HA 0.359 4.699 4.340 -0.000 0.000 0.266 336 L C -2.143 173.997 176.870 -1.217 0.000 1.010 336 L CA -1.793 52.524 54.840 -0.873 0.000 0.879 336 L CB 1.547 43.310 42.059 -0.493 0.000 1.228 336 L HN 0.496 nan 8.230 nan 0.000 0.439 337 P HA -0.202 nan 4.420 nan 0.000 0.213 337 P C 0.744 177.800 177.300 -0.407 0.000 1.170 337 P CA 1.595 64.278 63.100 -0.695 0.000 0.902 337 P CB 0.229 31.679 31.700 -0.416 0.000 0.789 338 D N -1.340 118.872 120.400 -0.315 0.000 2.133 338 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 338 D C 1.616 177.795 176.300 -0.202 0.000 0.997 338 D CA 1.877 55.755 54.000 -0.204 0.000 0.840 338 D CB -1.317 39.381 40.800 -0.170 0.000 0.947 338 D HN 0.215 nan 8.370 nan 0.000 0.452 339 T N -0.831 113.557 114.554 -0.276 0.000 2.770 339 T HA -0.091 4.259 4.350 -0.000 0.000 0.258 339 T C 0.804 175.371 174.700 -0.221 0.000 1.039 339 T CA 1.220 63.179 62.100 -0.234 0.000 1.143 339 T CB -0.297 68.415 68.868 -0.260 0.000 0.866 339 T HN 0.237 nan 8.240 nan 0.000 0.428 340 D N 0.898 121.075 120.400 -0.372 0.000 2.956 340 D HA -0.113 4.527 4.640 -0.000 0.000 0.223 340 D C -0.354 175.874 176.300 -0.121 0.000 1.102 340 D CA 0.500 54.388 54.000 -0.186 0.000 0.797 340 D CB -1.300 39.490 40.800 -0.017 0.000 1.094 340 D HN 0.651 nan 8.370 nan 0.000 0.438 341 E N -1.141 118.839 120.200 -0.366 0.000 2.459 341 E HA 0.629 4.978 4.350 -0.000 0.000 0.275 341 E C -0.964 175.393 176.600 -0.405 0.000 0.987 341 E CA -0.938 55.345 56.400 -0.194 0.000 0.828 341 E CB 1.185 30.855 29.700 -0.051 0.000 1.428 341 E HN 0.069 nan 8.360 nan 0.000 0.457 342 Y N -0.228 120.119 120.300 0.079 0.000 2.499 342 Y HA 0.665 5.215 4.550 -0.000 0.000 0.347 342 Y C -0.169 175.750 175.900 0.033 0.000 0.987 342 Y CA -0.926 57.227 58.100 0.090 0.000 1.044 342 Y CB 1.841 40.373 38.460 0.121 0.000 1.245 342 Y HN 0.227 nan 8.280 nan 0.000 0.461 343 R N 1.226 121.824 120.500 0.164 0.000 2.663 343 R HA 0.421 4.761 4.340 -0.000 0.000 0.267 343 R C -3.142 173.214 176.300 0.093 0.000 1.038 343 R CA -2.233 53.926 56.100 0.099 0.000 0.886 343 R CB 2.064 32.389 30.300 0.041 0.000 1.249 343 R HN 0.332 nan 8.270 nan 0.000 0.463 344 P HA -0.136 nan 4.420 nan 0.000 0.270 344 P C 0.966 178.314 177.300 0.079 0.000 1.216 344 P CA 0.044 63.197 63.100 0.088 0.000 0.788 344 P CB 0.469 32.214 31.700 0.074 0.000 0.883 345 V N -2.434 117.536 119.914 0.093 0.000 3.330 345 V HA -0.117 4.002 4.120 -0.000 0.000 0.273 345 V C 0.529 176.658 176.094 0.058 0.000 1.179 345 V CA 1.739 64.089 62.300 0.083 0.000 1.174 345 V CB -1.061 30.824 31.823 0.103 0.000 0.794 345 V HN 0.408 nan 8.190 nan 0.000 0.527 346 D N -1.315 119.115 120.400 0.050 0.000 2.318 346 D HA 0.035 4.675 4.640 -0.000 0.000 0.294 346 D C 1.604 177.917 176.300 0.022 0.000 1.091 346 D CA 0.075 54.094 54.000 0.033 0.000 0.883 346 D CB -0.042 40.779 40.800 0.034 0.000 1.545 346 D HN 0.392 nan 8.370 nan 0.000 0.513 347 Q N 1.115 120.931 119.800 0.026 0.000 2.547 347 Q HA 0.048 4.388 4.340 -0.000 0.000 0.217 347 Q C 0.201 176.201 176.000 0.000 0.000 0.978 347 Q CA 0.318 56.130 55.803 0.015 0.000 0.962 347 Q CB 0.221 28.973 28.738 0.023 0.000 0.990 347 Q HN 0.127 nan 8.270 nan 0.000 0.538 348 V N 2.825 122.737 119.914 -0.002 0.000 2.328 348 V HA 0.232 4.352 4.120 -0.000 0.000 0.278 348 V C -2.001 174.078 176.094 -0.024 0.000 1.021 348 V CA -1.722 60.565 62.300 -0.022 0.000 0.838 348 V CB 1.134 32.943 31.823 -0.023 0.000 0.999 348 V HN 0.067 nan 8.190 nan 0.000 0.447 349 P HA 0.143 nan 4.420 nan 0.000 0.267 349 P C -0.063 177.218 177.300 -0.032 0.000 1.200 349 P CA -0.080 63.002 63.100 -0.030 0.000 0.772 349 P CB 0.503 32.181 31.700 -0.037 0.000 0.855 350 A N 2.762 125.568 122.820 -0.025 0.000 2.507 350 A HA 0.409 4.728 4.320 -0.000 0.000 0.281 350 A C 1.333 178.898 177.584 -0.031 0.000 1.154 350 A CA 0.731 52.754 52.037 -0.023 0.000 0.828 350 A CB -1.652 17.338 19.000 -0.017 0.000 1.069 350 A HN 0.880 nan 8.150 nan 0.000 0.522 351 G N 1.481 110.259 108.800 -0.038 0.000 2.143 351 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.175 351 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.175 351 G C 0.535 175.396 174.900 -0.065 0.000 1.004 351 G CA 0.091 45.164 45.100 -0.045 0.000 0.671 351 G HN 0.880 nan 8.290 nan 0.000 0.512 352 V N -0.146 119.721 119.914 -0.078 0.000 2.267 352 V HA 0.355 4.475 4.120 -0.000 0.000 0.228 352 V C 1.077 177.089 176.094 -0.136 0.000 1.040 352 V CA 1.550 63.783 62.300 -0.113 0.000 1.010 352 V CB -0.092 31.654 31.823 -0.130 0.000 0.649 352 V HN 0.270 nan 8.190 nan 0.000 0.464 353 K N 0.140 120.446 120.400 -0.157 0.000 2.664 353 K HA 0.154 4.474 4.320 -0.000 0.000 0.298 353 K C -0.420 176.083 176.600 -0.161 0.000 1.152 353 K CA 0.031 56.212 56.287 -0.176 0.000 1.038 353 K CB 0.993 33.336 32.500 -0.262 0.000 1.342 353 K HN 0.353 nan 8.250 nan 0.000 0.496 354 T N 3.431 117.927 114.554 -0.095 0.000 3.802 354 T HA 0.139 4.489 4.350 -0.000 0.000 0.243 354 T C 0.433 175.107 174.700 -0.042 0.000 0.934 354 T CA -0.123 61.948 62.100 -0.049 0.000 0.931 354 T CB -0.709 68.151 68.868 -0.013 0.000 1.167 354 T HN 0.321 nan 8.240 nan 0.000 0.655 355 L N 3.241 124.387 121.223 -0.129 0.000 2.536 355 L HA 0.293 4.633 4.340 -0.000 0.000 0.282 355 L C 0.192 177.083 176.870 0.035 0.000 1.147 355 L CA -0.020 54.709 54.840 -0.185 0.000 0.936 355 L CB -0.422 41.274 42.059 -0.605 0.000 1.279 355 L HN 0.370 nan 8.230 nan 0.000 0.461 356 N N 3.461 122.309 118.700 0.246 0.000 2.519 356 N HA 0.420 5.159 4.740 -0.000 0.000 0.291 356 N C -0.720 174.979 175.510 0.314 0.000 1.107 356 N CA -0.434 52.849 53.050 0.388 0.000 0.904 356 N CB 1.710 40.346 38.487 0.248 0.000 1.500 356 N HN 0.294 nan 8.380 nan 0.000 0.510 357 I N 0.867 121.610 120.570 0.288 0.000 2.581 357 I HA 0.213 4.383 4.170 -0.000 0.000 0.288 357 I C 0.843 176.949 176.117 -0.018 0.000 1.047 357 I CA -0.321 60.927 61.300 -0.087 0.000 1.374 357 I CB 1.331 38.817 38.000 -0.857 0.000 1.423 357 I HN 0.411 nan 8.210 nan 0.000 0.549 358 S N 3.241 118.908 115.700 -0.055 0.000 2.601 358 S HA 0.301 4.771 4.470 -0.000 0.000 0.271 358 S C 1.131 175.738 174.600 0.011 0.000 1.305 358 S CA -0.131 58.078 58.200 0.015 0.000 1.022 358 S CB 1.435 64.642 63.200 0.011 0.000 0.940 358 S HN 0.798 nan 8.310 nan 0.000 0.525 359 G N 1.994 110.845 108.800 0.085 0.000 2.403 359 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.216 359 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.216 359 G C 1.223 176.160 174.900 0.062 0.000 1.154 359 G CA 1.035 46.203 45.100 0.112 0.000 0.784 359 G HN 0.728 nan 8.290 nan 0.000 0.538 360 T N 0.443 115.024 114.554 0.046 0.000 2.915 360 T HA -0.013 4.337 4.350 -0.000 0.000 0.269 360 T C 2.105 176.806 174.700 0.002 0.000 1.071 360 T CA 1.063 63.181 62.100 0.030 0.000 1.132 360 T CB 0.027 68.914 68.868 0.032 0.000 0.878 360 T HN 0.162 nan 8.240 nan 0.000 0.479 361 E N 0.714 120.901 120.200 -0.022 0.000 2.170 361 E HA 0.029 4.379 4.350 -0.000 0.000 0.191 361 E C 2.071 178.609 176.600 -0.105 0.000 0.981 361 E CA 0.379 56.742 56.400 -0.061 0.000 0.830 361 E CB -0.158 29.494 29.700 -0.080 0.000 0.775 361 E HN 0.337 nan 8.360 nan 0.000 0.470 362 L N 1.161 122.312 121.223 -0.119 0.000 2.027 362 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 362 L C 2.301 179.141 176.870 -0.051 0.000 1.074 362 L CA 1.583 56.335 54.840 -0.146 0.000 0.745 362 L CB -0.277 41.728 42.059 -0.089 0.000 0.898 362 L HN -0.084 nan 8.230 nan 0.000 0.433 363 R N -0.807 119.694 120.500 0.001 0.000 2.080 363 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 363 R C 2.488 178.784 176.300 -0.006 0.000 1.137 363 R CA 1.644 57.754 56.100 0.015 0.000 0.943 363 R CB -0.562 29.756 30.300 0.030 0.000 0.846 363 R HN 0.300 nan 8.270 nan 0.000 0.431 364 R N 0.970 121.461 120.500 -0.015 0.000 2.113 364 R HA -0.184 4.156 4.340 -0.000 0.000 0.244 364 R C 2.219 178.500 176.300 -0.032 0.000 1.142 364 R CA 1.848 57.937 56.100 -0.020 0.000 0.953 364 R CB -0.127 30.159 30.300 -0.023 0.000 0.860 364 R HN 0.265 nan 8.270 nan 0.000 0.438 365 R N 0.093 120.560 120.500 -0.056 0.000 2.066 365 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 365 R C 2.550 178.818 176.300 -0.054 0.000 1.131 365 R CA 1.239 57.298 56.100 -0.068 0.000 0.955 365 R CB -0.521 29.708 30.300 -0.118 0.000 0.851 365 R HN 0.248 nan 8.270 nan 0.000 0.432 366 L N 0.564 121.759 121.223 -0.048 0.000 2.051 366 L HA -0.262 4.078 4.340 -0.000 0.000 0.214 366 L C 2.659 179.518 176.870 -0.019 0.000 1.076 366 L CA 1.650 56.473 54.840 -0.028 0.000 0.758 366 L CB -0.391 41.666 42.059 -0.003 0.000 0.890 366 L HN 0.191 nan 8.230 nan 0.000 0.433 367 R N -0.212 120.280 120.500 -0.014 0.000 2.070 367 R HA -0.162 4.178 4.340 -0.000 0.000 0.232 367 R C 2.565 178.855 176.300 -0.016 0.000 1.138 367 R CA 1.842 57.937 56.100 -0.009 0.000 0.936 367 R CB -0.743 29.554 30.300 -0.004 0.000 0.839 367 R HN 0.447 nan 8.270 nan 0.000 0.429 368 S N -0.585 115.104 115.700 -0.019 0.000 2.442 368 S HA -0.024 4.446 4.470 -0.000 0.000 0.236 368 S C 1.615 176.202 174.600 -0.022 0.000 1.007 368 S CA 0.984 59.172 58.200 -0.021 0.000 0.965 368 S CB -0.061 63.127 63.200 -0.019 0.000 0.773 368 S HN 0.636 nan 8.310 nan 0.000 0.504 369 G N 0.629 109.414 108.800 -0.025 0.000 2.157 369 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.248 369 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.248 369 G C 0.195 175.086 174.900 -0.015 0.000 0.979 369 G CA 0.029 45.115 45.100 -0.023 0.000 0.650 369 G HN 1.445 nan 8.290 nan 0.000 0.529 370 A N 1.174 123.982 122.820 -0.019 0.000 2.484 370 A HA 0.488 4.808 4.320 -0.000 0.000 0.268 370 A C 0.880 178.463 177.584 -0.001 0.000 1.114 370 A CA 0.248 52.284 52.037 -0.002 0.000 0.780 370 A CB -0.115 18.876 19.000 -0.015 0.000 1.061 370 A HN 0.880 nan 8.150 nan 0.000 0.505 371 H N 1.874 120.911 119.070 -0.054 0.000 3.181 371 H HA -0.076 4.479 4.556 -0.000 0.000 0.316 371 H C -0.539 174.726 175.328 -0.105 0.000 0.995 371 H CA 1.500 57.510 56.048 -0.064 0.000 1.332 371 H CB 0.237 29.971 29.762 -0.045 0.000 1.245 371 H HN 0.546 nan 8.280 nan 0.000 0.592 372 I N 7.276 127.480 120.570 -0.610 0.000 2.436 372 I HA 0.184 4.354 4.170 -0.000 0.000 0.289 372 I C -2.104 173.709 176.117 -0.506 0.000 1.010 372 I CA -2.101 58.928 61.300 -0.452 0.000 1.098 372 I CB 1.879 39.665 38.000 -0.356 0.000 1.266 372 I HN 0.435 nan 8.210 nan 0.000 0.434 373 P HA -0.080 nan 4.420 nan 0.000 0.258 373 P C 0.563 177.536 177.300 -0.545 0.000 1.172 373 P CA 0.410 63.225 63.100 -0.476 0.000 0.762 373 P CB 0.465 31.519 31.700 -1.077 0.000 0.764 374 E N 3.600 123.653 120.200 -0.244 0.000 2.333 374 E HA -0.150 4.200 4.350 -0.000 0.000 0.198 374 E C 1.008 177.436 176.600 -0.287 0.000 1.007 374 E CA 0.606 56.877 56.400 -0.214 0.000 0.845 374 E CB -0.032 29.634 29.700 -0.056 0.000 0.766 374 E HN 0.647 nan 8.360 nan 0.000 0.507 375 W N -0.568 120.584 121.300 -0.247 0.000 2.800 375 W HA -0.030 4.630 4.660 -0.000 0.000 0.249 375 W C 1.181 177.486 176.519 -0.357 0.000 1.294 375 W CA -0.246 56.801 57.345 -0.496 0.000 1.402 375 W CB -0.659 28.190 29.460 -1.018 0.000 1.126 375 W HN 0.040 nan 8.180 nan 0.000 0.652 376 F N 1.974 121.317 119.950 -1.012 0.000 2.274 376 F HA 0.299 4.826 4.527 -0.000 0.000 0.288 376 F C 0.697 176.157 175.800 -0.567 0.000 1.069 376 F CA 1.211 58.657 58.000 -0.923 0.000 1.343 376 F CB 0.004 38.210 39.000 -1.324 0.000 1.089 376 F HN -0.225 nan 8.300 nan 0.000 0.517 377 S N -0.977 114.428 115.700 -0.492 0.000 2.546 377 S HA 0.404 4.874 4.470 -0.000 0.000 0.272 377 S C -1.470 172.995 174.600 -0.226 0.000 1.140 377 S CA -0.632 57.358 58.200 -0.350 0.000 0.920 377 S CB 0.266 63.323 63.200 -0.239 0.000 1.083 377 S HN 0.089 nan 8.310 nan 0.000 0.476 378 Y N 3.411 123.657 120.300 -0.091 0.000 2.578 378 Y HA 0.156 4.705 4.550 -0.000 0.000 0.339 378 Y C -1.376 174.494 175.900 -0.050 0.000 1.231 378 Y CA -0.916 57.147 58.100 -0.062 0.000 1.461 378 Y CB -0.231 38.201 38.460 -0.047 0.000 1.323 378 Y HN 0.544 nan 8.280 nan 0.000 0.590 379 P HA -0.259 nan 4.420 nan 0.000 0.210 379 P C 1.428 178.756 177.300 0.047 0.000 1.185 379 P CA 2.292 65.416 63.100 0.040 0.000 0.924 379 P CB 0.131 31.861 31.700 0.050 0.000 0.786 380 E N -0.180 120.059 120.200 0.065 0.000 2.219 380 E HA -0.142 4.208 4.350 -0.000 0.000 0.198 380 E C 1.887 178.508 176.600 0.034 0.000 0.998 380 E CA 1.377 57.802 56.400 0.041 0.000 0.818 380 E CB -1.458 28.262 29.700 0.033 0.000 0.741 380 E HN 0.128 nan 8.360 nan 0.000 0.477 381 V N 1.200 121.150 119.914 0.059 0.000 2.379 381 V HA -0.154 3.965 4.120 -0.000 0.000 0.243 381 V C 2.638 178.756 176.094 0.041 0.000 1.035 381 V CA 1.222 63.551 62.300 0.048 0.000 1.035 381 V CB -0.079 31.803 31.823 0.098 0.000 0.673 381 V HN 0.110 nan 8.190 nan 0.000 0.457 382 V N 0.151 120.093 119.914 0.047 0.000 2.515 382 V HA -0.260 3.860 4.120 -0.000 0.000 0.250 382 V C 2.379 178.472 176.094 -0.002 0.000 1.058 382 V CA 2.134 64.445 62.300 0.018 0.000 1.064 382 V CB -0.701 31.104 31.823 -0.030 0.000 0.675 382 V HN 0.546 nan 8.190 nan 0.000 0.461 383 K N 0.064 120.464 120.400 0.000 0.000 2.152 383 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 383 K C 1.965 178.566 176.600 0.002 0.000 1.048 383 K CA 1.689 57.976 56.287 -0.000 0.000 0.933 383 K CB -0.162 32.342 32.500 0.008 0.000 0.721 383 K HN 0.467 nan 8.250 nan 0.000 0.447 384 I N 0.478 121.049 120.570 0.002 0.000 2.400 384 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 384 I C 1.981 178.095 176.117 -0.006 0.000 1.109 384 I CA 0.573 61.872 61.300 -0.002 0.000 1.425 384 I CB -0.105 37.887 38.000 -0.013 0.000 1.094 384 I HN 0.112 nan 8.210 nan 0.000 0.425 385 L N 0.512 121.731 121.223 -0.007 0.000 2.261 385 L HA -0.186 4.154 4.340 -0.000 0.000 0.216 385 L C 2.644 179.517 176.870 0.005 0.000 1.114 385 L CA 1.268 56.106 54.840 -0.003 0.000 0.777 385 L CB -0.520 41.552 42.059 0.022 0.000 0.910 385 L HN 0.224 nan 8.230 nan 0.000 0.440 386 R N 0.002 120.503 120.500 0.002 0.000 2.119 386 R HA -0.100 4.240 4.340 -0.000 0.000 0.222 386 R C 1.967 178.270 176.300 0.005 0.000 1.088 386 R CA 0.822 56.922 56.100 -0.000 0.000 0.984 386 R CB -0.138 30.157 30.300 -0.009 0.000 0.884 386 R HN 0.449 nan 8.270 nan 0.000 0.447 387 E N 0.617 120.822 120.200 0.008 0.000 2.339 387 E HA -0.186 4.164 4.350 -0.000 0.000 0.201 387 E C 1.474 178.086 176.600 0.020 0.000 1.015 387 E CA 1.545 57.953 56.400 0.013 0.000 0.841 387 E CB -0.088 29.621 29.700 0.015 0.000 0.754 387 E HN 0.341 nan 8.360 nan 0.000 0.508 388 S N 0.182 115.895 115.700 0.022 0.000 2.593 388 S HA 0.063 4.533 4.470 -0.000 0.000 0.217 388 S C 0.613 175.228 174.600 0.026 0.000 0.966 388 S CA -0.269 57.949 58.200 0.031 0.000 0.914 388 S CB 0.239 63.460 63.200 0.036 0.000 0.776 388 S HN 0.087 nan 8.310 nan 0.000 0.523 389 N N 2.353 121.063 118.700 0.017 0.000 2.697 389 N HA 0.322 5.062 4.740 -0.000 0.000 0.253 389 N C -3.259 172.253 175.510 0.004 0.000 1.604 389 N CA -0.779 52.278 53.050 0.012 0.000 0.772 389 N CB 1.405 39.897 38.487 0.007 0.000 1.267 389 N HN 0.243 nan 8.380 nan 0.000 0.510 390 P HA 0.217 nan 4.420 nan 0.000 0.271 390 P C -2.520 174.771 177.300 -0.015 0.000 1.233 390 P CA -0.715 62.386 63.100 0.003 0.000 0.789 390 P CB -0.156 31.553 31.700 0.015 0.000 0.951 391 P HA 0.259 nan 4.420 nan 0.000 0.285 391 P C 0.769 178.018 177.300 -0.084 0.000 1.259 391 P CA -0.387 62.683 63.100 -0.050 0.000 0.794 391 P CB 0.568 32.250 31.700 -0.031 0.000 0.940 392 R N 2.784 123.171 120.500 -0.189 0.000 2.204 392 R HA -0.186 4.154 4.340 -0.000 0.000 0.253 392 R C 1.581 177.755 176.300 -0.211 0.000 1.172 392 R CA 1.725 57.581 56.100 -0.408 0.000 0.994 392 R CB -1.483 28.387 30.300 -0.717 0.000 0.874 392 R HN 0.559 nan 8.270 nan 0.000 0.462 393 A N -0.574 122.199 122.820 -0.079 0.000 2.239 393 A HA -0.011 4.309 4.320 -0.000 0.000 0.209 393 A C 1.658 179.289 177.584 0.078 0.000 1.171 393 A CA 1.164 53.219 52.037 0.031 0.000 0.768 393 A CB -0.001 19.010 19.000 0.019 0.000 0.790 393 A HN 0.221 nan 8.150 nan 0.000 0.478 394 T N -0.755 113.836 114.554 0.062 0.000 2.964 394 T HA 0.109 4.459 4.350 -0.000 0.000 0.249 394 T C 0.678 175.440 174.700 0.103 0.000 1.000 394 T CA -0.126 62.015 62.100 0.069 0.000 0.992 394 T CB 0.083 68.972 68.868 0.035 0.000 1.087 394 T HN 0.558 nan 8.240 nan 0.000 0.489 395 Q N 1.409 121.297 119.800 0.145 0.000 2.330 395 Q HA 0.405 4.745 4.340 -0.000 0.000 0.279 395 Q C 0.650 176.819 176.000 0.281 0.000 1.024 395 Q CA -0.189 55.743 55.803 0.215 0.000 0.900 395 Q CB 0.659 29.572 28.738 0.291 0.000 1.221 395 Q HN 0.392 nan 8.270 nan 0.000 0.396 396 G N 1.397 110.283 108.800 0.144 0.000 2.616 396 G HA2 0.512 4.472 3.960 -0.000 0.000 0.268 396 G HA3 0.512 4.472 3.960 -0.000 0.000 0.268 396 G C -0.733 174.239 174.900 0.120 0.000 1.213 396 G CA -0.336 44.752 45.100 -0.020 0.000 0.926 396 G HN 0.569 nan 8.290 nan 0.000 0.523 397 F N -3.027 116.976 119.950 0.088 0.000 2.741 397 F HA 0.682 5.209 4.527 -0.000 0.000 0.311 397 F C -0.745 175.080 175.800 0.042 0.000 1.149 397 F CA -1.458 56.575 58.000 0.056 0.000 0.930 397 F CB 1.071 40.028 39.000 -0.072 0.000 1.312 397 F HN 0.464 nan 8.300 nan 0.000 0.450 398 T N 3.512 118.290 114.554 0.374 0.000 2.824 398 T HA 0.615 4.965 4.350 -0.000 0.000 0.282 398 T C -0.885 173.930 174.700 0.193 0.000 0.993 398 T CA -0.405 61.843 62.100 0.247 0.000 0.967 398 T CB 1.360 70.373 68.868 0.242 0.000 0.960 398 T HN 0.493 nan 8.240 nan 0.000 0.441 399 I N 3.716 124.383 120.570 0.162 0.000 2.328 399 I HA 0.339 4.509 4.170 -0.000 0.000 0.287 399 I C -0.593 175.517 176.117 -0.013 0.000 1.012 399 I CA -0.886 60.447 61.300 0.055 0.000 1.195 399 I CB 0.438 38.465 38.000 0.044 0.000 1.350 399 I HN 0.657 nan 8.210 nan 0.000 0.464 400 F N 7.521 127.312 119.950 -0.264 0.000 2.313 400 F HA 0.455 4.982 4.527 -0.000 0.000 0.369 400 F C -0.199 175.558 175.800 -0.072 0.000 1.109 400 F CA -0.513 57.383 58.000 -0.173 0.000 1.132 400 F CB 0.658 39.467 39.000 -0.317 0.000 1.291 400 F HN 0.247 nan 8.300 nan 0.000 0.496 401 L N 4.381 125.578 121.223 -0.045 0.000 2.399 401 L HA 0.563 4.903 4.340 -0.000 0.000 0.266 401 L C 0.228 177.177 176.870 0.132 0.000 1.114 401 L CA -0.485 54.389 54.840 0.056 0.000 0.804 401 L CB 1.671 43.719 42.059 -0.018 0.000 1.146 401 L HN 0.508 nan 8.230 nan 0.000 0.451 402 T N 0.662 115.346 114.554 0.216 0.000 2.982 402 T HA 0.752 5.102 4.350 -0.000 0.000 0.321 402 T C -0.717 174.145 174.700 0.269 0.000 1.229 402 T CA 0.036 62.298 62.100 0.270 0.000 1.044 402 T CB 1.723 70.801 68.868 0.350 0.000 1.184 402 T HN 1.006 nan 8.240 nan 0.000 0.477 403 G N 1.953 110.859 108.800 0.178 0.000 2.316 403 G HA2 0.387 4.347 3.960 -0.000 0.000 0.296 403 G HA3 0.387 4.347 3.960 -0.000 0.000 0.296 403 G C -1.622 173.122 174.900 -0.260 0.000 1.399 403 G CA -0.901 44.135 45.100 -0.106 0.000 0.833 403 G HN 0.764 nan 8.290 nan 0.000 0.565 404 Y N 0.204 120.325 120.300 -0.298 0.000 2.546 404 Y HA 0.285 4.835 4.550 -0.000 0.000 0.351 404 Y C 1.645 177.555 175.900 0.016 0.000 1.266 404 Y CA -0.148 57.863 58.100 -0.148 0.000 1.487 404 Y CB 0.514 38.942 38.460 -0.054 0.000 1.365 404 Y HN 0.454 nan 8.280 nan 0.000 0.642 405 M N 3.067 122.837 119.600 0.283 0.000 2.239 405 M HA -0.055 4.424 4.480 -0.000 0.000 0.348 405 M C 0.360 176.853 176.300 0.321 0.000 1.239 405 M CA 0.393 55.809 55.300 0.194 0.000 1.114 405 M CB -0.405 32.231 32.600 0.060 0.000 1.641 405 M HN 0.937 nan 8.290 nan 0.000 0.453 406 N N 1.905 120.731 118.700 0.209 0.000 2.735 406 N HA -0.175 4.564 4.740 -0.000 0.000 0.248 406 N C 0.133 175.760 175.510 0.195 0.000 1.083 406 N CA 1.058 54.224 53.050 0.194 0.000 0.703 406 N CB -1.116 37.528 38.487 0.262 0.000 1.005 406 N HN 0.717 nan 8.380 nan 0.000 0.550 407 S N -1.792 113.996 115.700 0.147 0.000 2.593 407 S HA 0.415 4.885 4.470 -0.000 0.000 0.217 407 S C 1.675 176.288 174.600 0.021 0.000 0.966 407 S CA 0.758 59.056 58.200 0.163 0.000 0.914 407 S CB 0.424 63.699 63.200 0.126 0.000 0.776 407 S HN 1.367 nan 8.310 nan 0.000 0.523 408 G N 2.667 111.336 108.800 -0.219 0.000 2.176 408 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.232 408 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.232 408 G C 0.837 175.429 174.900 -0.513 0.000 0.986 408 G CA 0.310 44.906 45.100 -0.840 0.000 0.643 408 G HN 0.674 nan 8.290 nan 0.000 0.522 409 K N 0.271 120.535 120.400 -0.226 0.000 2.152 409 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 409 K C 1.520 178.041 176.600 -0.131 0.000 1.048 409 K CA 1.762 57.967 56.287 -0.137 0.000 0.933 409 K CB -0.210 32.258 32.500 -0.053 0.000 0.721 409 K HN 0.252 nan 8.250 nan 0.000 0.447 410 D N 1.633 121.957 120.400 -0.126 0.000 2.097 410 D HA -0.081 4.559 4.640 -0.000 0.000 0.197 410 D C 2.060 178.297 176.300 -0.104 0.000 0.984 410 D CA 1.812 55.758 54.000 -0.090 0.000 0.826 410 D CB -0.195 40.570 40.800 -0.059 0.000 0.973 410 D HN 0.395 nan 8.370 nan 0.000 0.460 411 A N 0.209 122.933 122.820 -0.160 0.000 1.930 411 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 411 A C 2.253 179.769 177.584 -0.113 0.000 1.175 411 A CA 0.837 52.794 52.037 -0.133 0.000 0.627 411 A CB -0.699 18.194 19.000 -0.178 0.000 0.815 411 A HN 0.196 nan 8.150 nan 0.000 0.443 412 I N -0.231 120.244 120.570 -0.158 0.000 2.179 412 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 412 I C 3.012 179.095 176.117 -0.058 0.000 1.088 412 I CA 1.086 62.331 61.300 -0.092 0.000 1.357 412 I CB -0.390 37.552 38.000 -0.097 0.000 1.051 412 I HN 0.361 nan 8.210 nan 0.000 0.409 413 A N 0.844 123.624 122.820 -0.067 0.000 1.883 413 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 413 A C 2.407 179.971 177.584 -0.034 0.000 1.186 413 A CA 1.762 53.769 52.037 -0.049 0.000 0.624 413 A CB -0.679 18.286 19.000 -0.058 0.000 0.822 413 A HN 0.313 nan 8.150 nan 0.000 0.444 414 R N -0.798 119.681 120.500 -0.034 0.000 2.091 414 R HA -0.105 4.235 4.340 -0.000 0.000 0.238 414 R C 2.409 178.703 176.300 -0.010 0.000 1.136 414 R CA 1.266 57.355 56.100 -0.020 0.000 0.959 414 R CB -0.436 29.853 30.300 -0.018 0.000 0.856 414 R HN 0.529 nan 8.270 nan 0.000 0.437 415 A N 0.798 123.613 122.820 -0.009 0.000 2.014 415 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 415 A C 1.982 179.570 177.584 0.006 0.000 1.163 415 A CA 0.750 52.789 52.037 0.004 0.000 0.652 415 A CB -0.231 18.776 19.000 0.012 0.000 0.808 415 A HN 0.226 nan 8.150 nan 0.000 0.449 416 L N -0.193 121.029 121.223 -0.002 0.000 2.156 416 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 416 L C 2.389 179.266 176.870 0.012 0.000 1.095 416 L CA 2.413 57.255 54.840 0.002 0.000 0.770 416 L CB -0.654 41.400 42.059 -0.009 0.000 0.914 416 L HN 0.612 nan 8.230 nan 0.000 0.439 417 Q N -0.925 118.878 119.800 0.005 0.000 1.993 417 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 417 Q C 2.053 178.059 176.000 0.011 0.000 0.984 417 Q CA 2.658 58.464 55.803 0.006 0.000 0.837 417 Q CB -0.220 28.517 28.738 -0.003 0.000 0.902 417 Q HN 0.378 nan 8.270 nan 0.000 0.423 418 V N 0.870 120.790 119.914 0.010 0.000 2.332 418 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 418 V C 2.320 178.425 176.094 0.018 0.000 1.055 418 V CA 2.211 64.518 62.300 0.013 0.000 1.038 418 V CB -0.967 30.863 31.823 0.012 0.000 0.651 418 V HN 0.529 nan 8.190 nan 0.000 0.450 419 T N 0.255 114.823 114.554 0.022 0.000 2.674 419 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 419 T C 1.883 176.604 174.700 0.035 0.000 1.039 419 T CA 1.533 63.651 62.100 0.030 0.000 1.150 419 T CB -0.298 68.590 68.868 0.033 0.000 0.864 419 T HN 0.302 nan 8.240 nan 0.000 0.427 420 L N 1.149 122.395 121.223 0.039 0.000 2.141 420 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 420 L C 2.400 179.292 176.870 0.037 0.000 1.094 420 L CA 0.821 55.693 54.840 0.053 0.000 0.763 420 L CB -0.487 41.616 42.059 0.074 0.000 0.908 420 L HN 0.210 nan 8.230 nan 0.000 0.437 421 N N -0.363 118.351 118.700 0.023 0.000 2.459 421 N HA -0.182 4.558 4.740 -0.000 0.000 0.181 421 N C 1.739 177.260 175.510 0.019 0.000 1.046 421 N CA 0.724 53.783 53.050 0.016 0.000 0.904 421 N CB 0.062 38.554 38.487 0.009 0.000 0.964 421 N HN 0.479 nan 8.380 nan 0.000 0.444 422 Q N 0.684 120.497 119.800 0.023 0.000 2.163 422 Q HA -0.138 4.201 4.340 -0.000 0.000 0.198 422 Q C 1.696 177.712 176.000 0.027 0.000 0.954 422 Q CA 0.897 56.714 55.803 0.023 0.000 0.851 422 Q CB 0.143 28.895 28.738 0.023 0.000 0.928 422 Q HN 0.280 nan 8.270 nan 0.000 0.459 423 Q N -0.475 119.347 119.800 0.036 0.000 2.436 423 Q HA 0.046 4.386 4.340 -0.000 0.000 0.209 423 Q C 1.249 177.274 176.000 0.041 0.000 0.965 423 Q CA 1.433 57.261 55.803 0.042 0.000 0.910 423 Q CB -0.596 28.174 28.738 0.054 0.000 0.980 423 Q HN 0.436 nan 8.270 nan 0.000 0.491 424 G N -0.327 108.494 108.800 0.035 0.000 2.256 424 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.279 424 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.279 424 G C 0.868 175.785 174.900 0.029 0.000 0.998 424 G CA 0.533 45.650 45.100 0.027 0.000 0.720 424 G HN 0.787 nan 8.290 nan 0.000 0.521 425 G N -0.182 108.646 108.800 0.046 0.000 2.471 425 G HA2 0.275 4.234 3.960 -0.000 0.000 0.219 425 G HA3 0.275 4.234 3.960 -0.000 0.000 0.219 425 G C 0.850 175.770 174.900 0.034 0.000 1.125 425 G CA 1.109 46.240 45.100 0.052 0.000 0.775 425 G HN 0.979 nan 8.290 nan 0.000 0.548 426 R N -0.916 119.592 120.500 0.012 0.000 2.733 426 R HA 0.468 4.808 4.340 -0.000 0.000 0.272 426 R C -0.886 175.389 176.300 -0.042 0.000 1.029 426 R CA -0.498 55.587 56.100 -0.026 0.000 0.888 426 R CB 0.335 30.594 30.300 -0.068 0.000 1.251 426 R HN 0.076 nan 8.270 nan 0.000 0.464 427 S N 0.078 115.745 115.700 -0.055 0.000 2.592 427 S HA 0.460 4.930 4.470 -0.000 0.000 0.271 427 S C 0.195 174.748 174.600 -0.079 0.000 1.326 427 S CA -0.685 57.483 58.200 -0.052 0.000 1.024 427 S CB 1.383 64.555 63.200 -0.046 0.000 0.921 427 S HN 0.354 nan 8.310 nan 0.000 0.527 428 V N 1.990 121.868 119.914 -0.060 0.000 2.448 428 V HA 0.498 4.618 4.120 -0.000 0.000 0.295 428 V C -0.135 175.926 176.094 -0.054 0.000 1.025 428 V CA -0.637 61.622 62.300 -0.068 0.000 0.859 428 V CB 1.647 33.447 31.823 -0.039 0.000 0.988 428 V HN 0.969 nan 8.190 nan 0.000 0.431 429 S N 4.752 120.414 115.700 -0.064 0.000 2.433 429 S HA 0.627 5.097 4.470 -0.000 0.000 0.310 429 S C -0.664 173.913 174.600 -0.038 0.000 1.097 429 S CA -0.362 57.810 58.200 -0.046 0.000 1.103 429 S CB 1.180 64.350 63.200 -0.050 0.000 0.992 429 S HN 0.560 nan 8.310 nan 0.000 0.469 430 L N 5.561 126.767 121.223 -0.028 0.000 2.265 430 L HA 0.534 4.874 4.340 -0.000 0.000 0.289 430 L C -1.080 175.776 176.870 -0.024 0.000 1.033 430 L CA -0.111 54.713 54.840 -0.027 0.000 0.814 430 L CB 0.499 42.546 42.059 -0.020 0.000 1.203 430 L HN 0.614 nan 8.230 nan 0.000 0.423 431 L N 6.980 128.181 121.223 -0.036 0.000 2.506 431 L HA 0.353 4.693 4.340 -0.000 0.000 0.247 431 L C -0.230 176.612 176.870 -0.047 0.000 1.141 431 L CA -0.377 54.444 54.840 -0.032 0.000 0.973 431 L CB 0.548 42.588 42.059 -0.032 0.000 1.319 431 L HN 0.537 nan 8.230 nan 0.000 0.455 432 L N 0.612 121.820 121.223 -0.026 0.000 2.473 432 L HA 0.182 4.522 4.340 -0.000 0.000 0.268 432 L C 1.806 178.671 176.870 -0.009 0.000 1.215 432 L CA 0.279 55.103 54.840 -0.026 0.000 0.823 432 L CB 1.059 43.112 42.059 -0.010 0.000 1.099 432 L HN 0.560 nan 8.230 nan 0.000 0.483 433 G N 0.872 109.669 108.800 -0.006 0.000 2.529 433 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.219 433 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.219 433 G C 1.147 176.080 174.900 0.056 0.000 1.177 433 G CA 1.019 46.135 45.100 0.026 0.000 0.773 433 G HN 0.938 nan 8.290 nan 0.000 0.573 434 D N -0.062 120.374 120.400 0.059 0.000 2.117 434 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 434 D C 2.238 178.595 176.300 0.097 0.000 0.987 434 D CA 1.743 55.791 54.000 0.079 0.000 0.829 434 D CB -1.156 39.680 40.800 0.060 0.000 0.961 434 D HN 0.270 nan 8.370 nan 0.000 0.460 435 T N 1.072 115.671 114.554 0.076 0.000 2.635 435 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 435 T C 2.276 177.026 174.700 0.083 0.000 1.040 435 T CA 1.716 63.871 62.100 0.092 0.000 1.156 435 T CB -0.497 68.403 68.868 0.053 0.000 0.863 435 T HN 0.039 nan 8.240 nan 0.000 0.430 436 V N 1.194 121.140 119.914 0.054 0.000 2.287 436 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 436 V C 2.725 178.849 176.094 0.052 0.000 1.053 436 V CA 1.732 64.057 62.300 0.042 0.000 1.027 436 V CB -0.530 31.312 31.823 0.032 0.000 0.646 436 V HN 0.211 nan 8.190 nan 0.000 0.447 437 R N -0.652 119.894 120.500 0.077 0.000 2.081 437 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 437 R C 2.289 178.662 176.300 0.122 0.000 1.131 437 R CA 1.778 57.930 56.100 0.086 0.000 0.960 437 R CB -0.887 29.488 30.300 0.124 0.000 0.856 437 R HN 0.757 nan 8.270 nan 0.000 0.436 438 H N 0.359 119.447 119.070 0.030 0.000 2.343 438 H HA 0.068 4.624 4.556 -0.000 0.000 0.303 438 H C 1.366 176.705 175.328 0.018 0.000 1.068 438 H CA 1.650 57.713 56.048 0.025 0.000 1.359 438 H CB 0.256 30.033 29.762 0.026 0.000 1.402 438 H HN 0.109 nan 8.280 nan 0.000 0.515 439 E N -0.056 120.063 120.200 -0.134 0.000 2.170 439 E HA 0.010 4.360 4.350 -0.000 0.000 0.191 439 E C 1.875 178.418 176.600 -0.094 0.000 0.981 439 E CA 0.885 57.173 56.400 -0.185 0.000 0.830 439 E CB 0.447 30.093 29.700 -0.091 0.000 0.775 439 E HN 0.522 nan 8.360 nan 0.000 0.470 440 L N -1.082 120.118 121.223 -0.037 0.000 2.840 440 L HA 0.225 4.565 4.340 -0.000 0.000 0.249 440 L C 1.035 177.893 176.870 -0.021 0.000 1.119 440 L CA 0.127 54.957 54.840 -0.017 0.000 0.930 440 L CB 0.710 42.779 42.059 0.016 0.000 1.295 440 L HN -0.196 nan 8.230 nan 0.000 0.534 441 S N -0.739 114.951 115.700 -0.018 0.000 2.941 441 S HA 0.027 4.497 4.470 -0.000 0.000 0.251 441 S C 1.480 176.066 174.600 -0.023 0.000 1.029 441 S CA 0.249 58.429 58.200 -0.033 0.000 1.062 441 S CB 0.631 63.802 63.200 -0.049 0.000 0.977 441 S HN 0.368 nan 8.310 nan 0.000 0.552 442 S N 1.919 117.620 115.700 0.002 0.000 2.440 442 S HA -0.114 4.356 4.470 -0.000 0.000 0.240 442 S C 0.818 175.431 174.600 0.022 0.000 1.014 442 S CA 1.091 59.316 58.200 0.041 0.000 0.980 442 S CB -0.236 62.996 63.200 0.054 0.000 0.775 442 S HN 0.593 nan 8.310 nan 0.000 0.499 443 E N 0.209 120.403 120.200 -0.010 0.000 2.869 443 E HA 0.424 4.774 4.350 -0.000 0.000 0.207 443 E C -0.586 175.987 176.600 -0.044 0.000 0.986 443 E CA -0.222 56.169 56.400 -0.014 0.000 1.131 443 E CB 0.543 30.237 29.700 -0.009 0.000 1.098 443 E HN 0.482 nan 8.360 nan 0.000 0.459 444 L N -0.343 120.829 121.223 -0.085 0.000 2.358 444 L HA 0.616 4.955 4.340 -0.000 0.000 0.268 444 L C 0.837 177.576 176.870 -0.219 0.000 1.032 444 L CA -0.727 54.028 54.840 -0.142 0.000 0.805 444 L CB 1.416 43.370 42.059 -0.175 0.000 1.253 444 L HN 0.127 nan 8.230 nan 0.000 0.452 445 G N -0.574 108.079 108.800 -0.245 0.000 3.008 445 G HA2 0.429 4.389 3.960 -0.000 0.000 0.181 445 G HA3 0.429 4.389 3.960 -0.000 0.000 0.181 445 G C -0.721 173.824 174.900 -0.592 0.000 1.309 445 G CA -0.207 44.743 45.100 -0.251 0.000 1.009 445 G HN 0.417 nan 8.290 nan 0.000 0.584 446 F N 0.746 120.732 119.950 0.059 0.000 2.805 446 F HA 0.286 4.813 4.527 -0.000 0.000 0.317 446 F C 1.348 177.199 175.800 0.084 0.000 1.146 446 F CA -0.486 57.559 58.000 0.075 0.000 1.265 446 F CB 0.575 39.623 39.000 0.081 0.000 0.992 446 F HN 0.391 nan 8.300 nan 0.000 0.511 447 T N -2.693 111.940 114.554 0.131 0.000 2.849 447 T HA 0.208 4.558 4.350 -0.000 0.000 0.284 447 T C 1.688 176.424 174.700 0.060 0.000 1.004 447 T CA -0.563 61.595 62.100 0.096 0.000 1.021 447 T CB 1.363 70.254 68.868 0.038 0.000 1.013 447 T HN 0.150 nan 8.240 nan 0.000 0.527 448 R N 1.048 121.547 120.500 -0.002 0.000 2.136 448 R HA -0.193 4.147 4.340 -0.000 0.000 0.242 448 R C 2.233 178.450 176.300 -0.138 0.000 1.131 448 R CA 2.666 58.651 56.100 -0.192 0.000 0.937 448 R CB -0.813 29.294 30.300 -0.321 0.000 0.863 448 R HN 0.903 nan 8.270 nan 0.000 0.435 449 E N -0.085 120.056 120.200 -0.099 0.000 2.049 449 E HA -0.203 4.147 4.350 -0.000 0.000 0.198 449 E C 1.821 178.409 176.600 -0.020 0.000 1.007 449 E CA 1.481 57.844 56.400 -0.062 0.000 0.809 449 E CB -0.188 29.475 29.700 -0.061 0.000 0.749 449 E HN 0.357 nan 8.360 nan 0.000 0.450 450 D N 0.316 120.694 120.400 -0.036 0.000 2.117 450 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 450 D C 2.034 178.289 176.300 -0.075 0.000 0.987 450 D CA 0.993 54.950 54.000 -0.071 0.000 0.829 450 D CB -0.120 40.614 40.800 -0.111 0.000 0.961 450 D HN 0.102 nan 8.370 nan 0.000 0.460 451 R N -0.554 119.938 120.500 -0.013 0.000 2.081 451 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 451 R C 2.274 178.608 176.300 0.056 0.000 1.131 451 R CA 1.107 57.234 56.100 0.045 0.000 0.960 451 R CB -0.420 30.004 30.300 0.207 0.000 0.856 451 R HN 0.306 nan 8.270 nan 0.000 0.436 452 H N 0.390 119.438 119.070 -0.038 0.000 2.352 452 H HA -0.073 4.483 4.556 -0.000 0.000 0.299 452 H C 1.725 176.975 175.328 -0.129 0.000 1.097 452 H CA 2.163 58.160 56.048 -0.085 0.000 1.311 452 H CB -0.127 29.541 29.762 -0.157 0.000 1.377 452 H HN 0.010 nan 8.280 nan 0.000 0.504 453 T N 0.137 114.595 114.554 -0.161 0.000 2.746 453 T HA -0.192 4.157 4.350 -0.000 0.000 0.267 453 T C 1.951 176.551 174.700 -0.168 0.000 1.039 453 T CA 1.286 63.264 62.100 -0.204 0.000 1.142 453 T CB -0.393 68.404 68.868 -0.118 0.000 0.866 453 T HN 0.534 nan 8.240 nan 0.000 0.444 454 N N 0.730 119.365 118.700 -0.109 0.000 2.104 454 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 454 N C 1.685 177.190 175.510 -0.008 0.000 1.024 454 N CA 1.128 54.143 53.050 -0.058 0.000 0.853 454 N CB -0.045 38.409 38.487 -0.054 0.000 1.008 454 N HN 0.206 nan 8.380 nan 0.000 0.424 455 I N 1.564 122.125 120.570 -0.014 0.000 2.353 455 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 455 I C 2.267 178.434 176.117 0.083 0.000 1.119 455 I CA 1.050 62.405 61.300 0.093 0.000 1.417 455 I CB -1.307 36.766 38.000 0.122 0.000 1.078 455 I HN 0.264 nan 8.210 nan 0.000 0.421 456 Q N 0.104 119.811 119.800 -0.155 0.000 2.170 456 Q HA -0.201 4.139 4.340 -0.000 0.000 0.203 456 Q C 2.320 178.410 176.000 0.150 0.000 0.976 456 Q CA 1.211 56.964 55.803 -0.084 0.000 0.858 456 Q CB -0.187 28.183 28.738 -0.613 0.000 0.907 456 Q HN 0.412 nan 8.270 nan 0.000 0.433 457 R N 0.604 121.143 120.500 0.065 0.000 2.090 457 R HA -0.051 4.289 4.340 -0.000 0.000 0.228 457 R C 1.999 178.421 176.300 0.202 0.000 1.110 457 R CA 0.828 57.000 56.100 0.120 0.000 0.973 457 R CB 0.031 30.353 30.300 0.037 0.000 0.869 457 R HN 0.223 nan 8.270 nan 0.000 0.440 458 I N 0.348 121.028 120.570 0.184 0.000 2.286 458 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 458 I C 2.436 178.701 176.117 0.247 0.000 1.104 458 I CA 1.041 62.457 61.300 0.193 0.000 1.397 458 I CB -0.289 37.828 38.000 0.196 0.000 1.072 458 I HN 0.256 nan 8.210 nan 0.000 0.417 459 A N 0.831 123.839 122.820 0.312 0.000 1.902 459 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 459 A C 2.217 179.929 177.584 0.214 0.000 1.181 459 A CA 1.468 53.674 52.037 0.281 0.000 0.623 459 A CB -0.935 18.236 19.000 0.285 0.000 0.818 459 A HN 0.445 nan 8.150 nan 0.000 0.443 460 F N 0.851 120.882 119.950 0.136 0.000 2.046 460 F HA -0.173 4.354 4.527 -0.000 0.000 0.297 460 F C 2.270 178.109 175.800 0.064 0.000 1.123 460 F CA 2.171 60.224 58.000 0.089 0.000 1.199 460 F CB -0.599 38.451 39.000 0.084 0.000 0.972 460 F HN 0.021 nan 8.300 nan 0.000 0.474 461 V N 0.758 120.675 119.914 0.005 0.000 2.332 461 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 461 V C 2.765 178.791 176.094 -0.113 0.000 1.055 461 V CA 1.879 64.110 62.300 -0.115 0.000 1.038 461 V CB -1.660 30.195 31.823 0.052 0.000 0.651 461 V HN 0.535 nan 8.190 nan 0.000 0.450 462 A N -0.477 122.342 122.820 -0.003 0.000 1.902 462 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 462 A C 2.388 179.961 177.584 -0.018 0.000 1.181 462 A CA 2.458 54.512 52.037 0.028 0.000 0.623 462 A CB -0.938 18.150 19.000 0.147 0.000 0.818 462 A HN 0.499 nan 8.150 nan 0.000 0.443 463 T N -0.167 114.353 114.554 -0.057 0.000 2.867 463 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 463 T C 1.810 176.420 174.700 -0.150 0.000 1.057 463 T CA 1.427 63.476 62.100 -0.084 0.000 1.136 463 T CB -0.167 68.648 68.868 -0.089 0.000 0.874 463 T HN 0.438 nan 8.240 nan 0.000 0.466 464 E N 1.028 121.065 120.200 -0.272 0.000 2.072 464 E HA 0.046 4.396 4.350 -0.000 0.000 0.190 464 E C 2.293 178.805 176.600 -0.147 0.000 0.982 464 E CA 0.647 56.895 56.400 -0.252 0.000 0.803 464 E CB -0.381 29.092 29.700 -0.378 0.000 0.755 464 E HN 0.456 nan 8.360 nan 0.000 0.453 465 L N 0.545 121.692 121.223 -0.127 0.000 2.056 465 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 465 L C 2.517 179.340 176.870 -0.077 0.000 1.078 465 L CA 1.328 56.113 54.840 -0.091 0.000 0.749 465 L CB -0.610 41.401 42.059 -0.080 0.000 0.901 465 L HN 0.090 nan 8.230 nan 0.000 0.433 466 T N -0.803 113.717 114.554 -0.056 0.000 2.720 466 T HA -0.257 4.093 4.350 -0.000 0.000 0.268 466 T C 2.007 176.696 174.700 -0.019 0.000 1.037 466 T CA 1.496 63.580 62.100 -0.027 0.000 1.144 466 T CB -0.224 68.662 68.868 0.031 0.000 0.864 466 T HN 0.259 nan 8.240 nan 0.000 0.444 467 R N 1.037 121.517 120.500 -0.032 0.000 2.096 467 R HA 0.008 4.348 4.340 -0.000 0.000 0.235 467 R C 2.174 178.456 176.300 -0.031 0.000 1.127 467 R CA 1.355 57.439 56.100 -0.026 0.000 0.968 467 R CB -0.349 29.926 30.300 -0.042 0.000 0.861 467 R HN 0.343 nan 8.270 nan 0.000 0.440 468 A N -0.196 122.595 122.820 -0.049 0.000 2.252 468 A HA 0.188 4.508 4.320 -0.000 0.000 0.207 468 A C 1.211 178.769 177.584 -0.043 0.000 1.194 468 A CA 0.713 52.722 52.037 -0.047 0.000 0.809 468 A CB -0.454 18.512 19.000 -0.057 0.000 0.814 468 A HN 0.619 nan 8.150 nan 0.000 0.482 469 G N -2.092 106.686 108.800 -0.037 0.000 2.147 469 G HA2 0.073 4.032 3.960 -0.000 0.000 0.244 469 G HA3 0.073 4.032 3.960 -0.000 0.000 0.244 469 G C 0.410 175.255 174.900 -0.092 0.000 1.005 469 G CA 0.441 45.520 45.100 -0.036 0.000 0.713 469 G HN 1.551 nan 8.290 nan 0.000 0.515 470 A N -0.491 122.253 122.820 -0.127 0.000 2.257 470 A HA 0.941 5.261 4.320 -0.000 0.000 0.289 470 A C 0.694 178.062 177.584 -0.360 0.000 1.095 470 A CA 0.545 52.471 52.037 -0.185 0.000 0.836 470 A CB 0.997 19.917 19.000 -0.134 0.000 1.111 470 A HN 2.053 nan 8.150 nan 0.000 0.497 471 A N 0.522 123.087 122.820 -0.425 0.000 2.249 471 A HA 0.576 4.896 4.320 -0.000 0.000 0.314 471 A C -0.591 176.814 177.584 -0.298 0.000 1.290 471 A CA -0.382 51.230 52.037 -0.708 0.000 0.893 471 A CB 0.155 18.809 19.000 -0.576 0.000 1.165 471 A HN 0.929 nan 8.150 nan 0.000 0.530 472 V N 4.235 124.028 119.914 -0.202 0.000 2.398 472 V HA 0.415 4.535 4.120 -0.000 0.000 0.286 472 V C -0.219 175.874 176.094 -0.001 0.000 1.026 472 V CA -0.187 62.074 62.300 -0.065 0.000 0.868 472 V CB 1.206 33.018 31.823 -0.018 0.000 0.982 472 V HN 0.728 nan 8.190 nan 0.000 0.443 473 I N 4.300 124.858 120.570 -0.019 0.000 2.382 473 I HA 0.710 4.880 4.170 -0.000 0.000 0.285 473 I C 0.208 176.278 176.117 -0.079 0.000 1.007 473 I CA -0.389 60.896 61.300 -0.027 0.000 1.142 473 I CB 1.627 39.615 38.000 -0.019 0.000 1.289 473 I HN 0.682 nan 8.210 nan 0.000 0.453 474 A N 4.890 127.617 122.820 -0.155 0.000 2.342 474 A HA 0.880 5.200 4.320 -0.000 0.000 0.323 474 A C 0.003 177.372 177.584 -0.358 0.000 1.125 474 A CA -0.515 51.357 52.037 -0.276 0.000 0.785 474 A CB 1.419 20.164 19.000 -0.424 0.000 1.221 474 A HN 0.802 nan 8.150 nan 0.000 0.463 475 A N 3.811 126.480 122.820 -0.252 0.000 3.214 475 A HA 0.616 4.936 4.320 -0.000 0.000 0.304 475 A C -2.497 175.012 177.584 -0.125 0.000 0.969 475 A CA -1.131 50.797 52.037 -0.182 0.000 0.986 475 A CB -0.013 18.927 19.000 -0.100 0.000 1.073 475 A HN 0.594 nan 8.150 nan 0.000 0.487 476 P HA 0.376 nan 4.420 nan 0.000 0.282 476 P C 0.866 178.203 177.300 0.061 0.000 1.287 476 P CA -0.487 62.597 63.100 -0.026 0.000 0.792 476 P CB 1.250 32.944 31.700 -0.010 0.000 1.163 477 I N -0.053 120.588 120.570 0.118 0.000 2.277 477 I HA -0.071 4.099 4.170 -0.000 0.000 0.243 477 I C 1.052 177.310 176.117 0.236 0.000 1.094 477 I CA 1.080 62.476 61.300 0.160 0.000 1.393 477 I CB -0.731 37.347 38.000 0.130 0.000 1.078 477 I HN 0.427 nan 8.210 nan 0.000 0.417 478 A N 1.138 124.090 122.820 0.219 0.000 2.251 478 A HA -0.151 4.169 4.320 -0.000 0.000 0.283 478 A C -1.560 176.046 177.584 0.037 0.000 1.415 478 A CA 0.227 52.399 52.037 0.224 0.000 0.742 478 A CB -1.667 17.582 19.000 0.415 0.000 1.151 478 A HN 0.270 nan 8.150 nan 0.000 0.354 479 P HA 0.005 nan 4.420 nan 0.000 0.223 479 P C 0.102 176.947 177.300 -0.759 0.000 1.151 479 P CA 1.319 64.110 63.100 -0.515 0.000 0.787 479 P CB 0.063 31.446 31.700 -0.529 0.000 0.788 480 Y N -1.097 119.131 120.300 -0.121 0.000 2.377 480 Y HA 0.249 4.799 4.550 -0.000 0.000 0.339 480 Y C 1.760 177.605 175.900 -0.092 0.000 1.011 480 Y CA -0.825 57.212 58.100 -0.106 0.000 1.093 480 Y CB 1.172 39.613 38.460 -0.031 0.000 1.201 480 Y HN -0.277 nan 8.280 nan 0.000 0.455 481 E N 1.592 121.815 120.200 0.039 0.000 2.085 481 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 481 E C 1.745 178.368 176.600 0.038 0.000 0.994 481 E CA 1.945 58.342 56.400 -0.005 0.000 0.801 481 E CB 0.075 29.763 29.700 -0.020 0.000 0.743 481 E HN 0.826 nan 8.360 nan 0.000 0.453 482 E N -0.483 119.759 120.200 0.070 0.000 2.070 482 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 482 E C 2.030 178.737 176.600 0.179 0.000 1.004 482 E CA 1.552 57.988 56.400 0.061 0.000 0.805 482 E CB -0.086 29.583 29.700 -0.052 0.000 0.744 482 E HN 0.236 nan 8.360 nan 0.000 0.451 483 S N 0.340 116.191 115.700 0.251 0.000 2.343 483 S HA -0.160 4.310 4.470 -0.000 0.000 0.219 483 S C 1.852 176.520 174.600 0.114 0.000 1.033 483 S CA 1.203 59.563 58.200 0.267 0.000 1.014 483 S CB -0.296 63.057 63.200 0.254 0.000 0.915 483 S HN 0.281 nan 8.310 nan 0.000 0.435 484 R N 1.317 121.822 120.500 0.007 0.000 2.091 484 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 484 R C 2.460 178.630 176.300 -0.217 0.000 1.136 484 R CA 1.380 57.372 56.100 -0.180 0.000 0.959 484 R CB -0.336 29.887 30.300 -0.129 0.000 0.856 484 R HN 0.371 nan 8.270 nan 0.000 0.437 485 K N 0.428 120.770 120.400 -0.097 0.000 2.097 485 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 485 K C 1.949 178.460 176.600 -0.149 0.000 1.049 485 K CA 1.329 57.541 56.287 -0.125 0.000 0.933 485 K CB -0.169 32.306 32.500 -0.042 0.000 0.717 485 K HN 0.063 nan 8.250 nan 0.000 0.442 486 F N 1.298 121.163 119.950 -0.142 0.000 2.075 486 F HA -0.169 4.358 4.527 -0.000 0.000 0.297 486 F C 2.090 177.757 175.800 -0.222 0.000 1.113 486 F CA 1.715 59.644 58.000 -0.119 0.000 1.218 486 F CB -0.571 38.414 39.000 -0.025 0.000 0.984 486 F HN 0.089 nan 8.300 nan 0.000 0.472 487 A N 0.704 123.413 122.820 -0.184 0.000 1.908 487 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 487 A C 2.395 179.487 177.584 -0.820 0.000 1.181 487 A CA 1.902 53.738 52.037 -0.336 0.000 0.627 487 A CB -0.987 17.861 19.000 -0.254 0.000 0.818 487 A HN 0.517 nan 8.150 nan 0.000 0.445 488 R N -0.419 119.355 120.500 -1.210 0.000 2.091 488 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 488 R C 1.330 177.162 176.300 -0.780 0.000 1.136 488 R CA 1.969 57.105 56.100 -1.607 0.000 0.959 488 R CB -0.348 29.300 30.300 -1.087 0.000 0.856 488 R HN 0.479 nan 8.270 nan 0.000 0.437 489 D N 0.203 120.261 120.400 -0.569 0.000 2.149 489 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 489 D C 1.773 177.831 176.300 -0.404 0.000 0.972 489 D CA 1.316 55.071 54.000 -0.408 0.000 0.835 489 D CB -0.257 40.339 40.800 -0.341 0.000 0.966 489 D HN 0.385 nan 8.370 nan 0.000 0.476 490 A N 0.871 123.360 122.820 -0.553 0.000 1.865 490 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 490 A C 2.527 179.980 177.584 -0.218 0.000 1.191 490 A CA 1.430 53.217 52.037 -0.418 0.000 0.623 490 A CB -0.837 17.871 19.000 -0.487 0.000 0.826 490 A HN 0.146 nan 8.150 nan 0.000 0.444 491 V N 0.165 119.959 119.914 -0.199 0.000 2.515 491 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 491 V C 2.668 178.741 176.094 -0.035 0.000 1.058 491 V CA 2.108 64.380 62.300 -0.047 0.000 1.064 491 V CB -0.734 31.167 31.823 0.130 0.000 0.675 491 V HN 0.561 nan 8.190 nan 0.000 0.461 492 S N -0.267 115.369 115.700 -0.108 0.000 2.419 492 S HA -0.222 4.248 4.470 -0.000 0.000 0.235 492 S C 1.927 176.504 174.600 -0.038 0.000 1.019 492 S CA 0.988 59.150 58.200 -0.063 0.000 0.982 492 S CB -0.308 62.824 63.200 -0.114 0.000 0.789 492 S HN 0.582 nan 8.310 nan 0.000 0.490 493 Q N 0.662 120.427 119.800 -0.059 0.000 2.291 493 Q HA 0.102 4.442 4.340 -0.000 0.000 0.206 493 Q C 1.846 177.842 176.000 -0.006 0.000 0.976 493 Q CA 1.224 57.007 55.803 -0.034 0.000 0.875 493 Q CB -0.382 28.329 28.738 -0.045 0.000 0.927 493 Q HN 0.649 nan 8.270 nan 0.000 0.450 494 A N -1.050 121.771 122.820 0.001 0.000 2.358 494 A HA 0.560 4.880 4.320 -0.000 0.000 0.223 494 A C 0.829 178.445 177.584 0.054 0.000 1.218 494 A CA 0.705 52.753 52.037 0.019 0.000 0.942 494 A CB 0.788 19.788 19.000 -0.001 0.000 1.005 494 A HN 0.345 nan 8.150 nan 0.000 0.514 495 G N -1.301 107.545 108.800 0.077 0.000 2.335 495 G HA2 0.418 4.378 3.960 -0.000 0.000 0.291 495 G HA3 0.418 4.378 3.960 -0.000 0.000 0.291 495 G C -1.006 173.989 174.900 0.158 0.000 1.261 495 G CA 0.058 45.244 45.100 0.144 0.000 0.871 495 G HN 0.273 nan 8.290 nan 0.000 0.491 496 S N -0.613 115.232 115.700 0.241 0.000 2.610 496 S HA 0.686 5.156 4.470 -0.000 0.000 0.273 496 S C -1.084 173.528 174.600 0.021 0.000 1.274 496 S CA -0.171 58.087 58.200 0.095 0.000 1.023 496 S CB 1.244 64.528 63.200 0.139 0.000 0.962 496 S HN 0.691 nan 8.310 nan 0.000 0.523 497 F N 2.333 122.049 119.950 -0.390 0.000 2.529 497 F HA 0.675 5.202 4.527 -0.000 0.000 0.320 497 F C -1.784 173.648 175.800 -0.614 0.000 1.118 497 F CA -1.100 56.719 58.000 -0.301 0.000 0.915 497 F CB 0.810 39.705 39.000 -0.174 0.000 1.161 497 F HN 0.457 nan 8.300 nan 0.000 0.445 498 F N 6.762 126.369 119.950 -0.572 0.000 2.518 498 F HA 0.513 5.039 4.527 -0.000 0.000 0.323 498 F C -1.085 174.405 175.800 -0.516 0.000 1.129 498 F CA -0.991 56.779 58.000 -0.383 0.000 0.920 498 F CB 1.822 40.648 39.000 -0.289 0.000 1.160 498 F HN 0.298 nan 8.300 nan 0.000 0.440 499 L N 4.738 125.914 121.223 -0.080 0.000 2.272 499 L HA 0.705 5.045 4.340 -0.000 0.000 0.289 499 L C -1.040 175.894 176.870 0.106 0.000 1.032 499 L CA -0.466 54.386 54.840 0.021 0.000 0.810 499 L CB 1.154 43.305 42.059 0.154 0.000 1.205 499 L HN 0.393 nan 8.230 nan 0.000 0.422 500 V N 5.283 125.270 119.914 0.121 0.000 2.357 500 V HA 0.259 4.379 4.120 -0.000 0.000 0.284 500 V C -0.178 176.034 176.094 0.196 0.000 1.018 500 V CA -0.614 61.757 62.300 0.119 0.000 0.841 500 V CB 1.054 32.909 31.823 0.055 0.000 0.991 500 V HN 0.760 nan 8.190 nan 0.000 0.437 501 H N 4.657 123.776 119.070 0.082 0.000 2.846 501 H HA 0.387 4.943 4.556 -0.000 0.000 0.278 501 H C -0.634 174.729 175.328 0.059 0.000 1.117 501 H CA -0.741 55.364 56.048 0.094 0.000 1.406 501 H CB 1.319 31.140 29.762 0.099 0.000 1.445 501 H HN 0.479 nan 8.280 nan 0.000 0.469 502 V N 6.357 126.380 119.914 0.182 0.000 2.287 502 V HA 0.044 4.164 4.120 -0.000 0.000 0.246 502 V C 1.171 177.188 176.094 -0.128 0.000 1.165 502 V CA 0.412 62.715 62.300 0.005 0.000 1.088 502 V CB -0.099 31.742 31.823 0.031 0.000 1.242 502 V HN 0.902 nan 8.190 nan 0.000 0.497 503 A N 3.296 125.821 122.820 -0.491 0.000 2.236 503 A HA 0.088 4.408 4.320 -0.000 0.000 0.214 503 A C 1.192 178.675 177.584 -0.169 0.000 1.287 503 A CA -0.020 51.645 52.037 -0.620 0.000 0.909 503 A CB -0.781 17.753 19.000 -0.777 0.000 0.839 503 A HN 0.617 nan 8.150 nan 0.000 0.486 504 T N 3.209 117.740 114.554 -0.037 0.000 2.866 504 T HA 0.239 4.589 4.350 -0.000 0.000 0.293 504 T C -2.394 172.385 174.700 0.131 0.000 1.005 504 T CA -0.160 61.978 62.100 0.064 0.000 1.162 504 T CB 0.270 69.246 68.868 0.181 0.000 0.968 504 T HN 0.240 nan 8.240 nan 0.000 0.530 505 P HA 0.082 nan 4.420 nan 0.000 0.268 505 P C 0.975 178.341 177.300 0.110 0.000 1.205 505 P CA -0.525 62.653 63.100 0.130 0.000 0.771 505 P CB 0.472 32.217 31.700 0.075 0.000 0.858 506 L N 4.137 125.368 121.223 0.014 0.000 1.997 506 L HA -0.288 4.052 4.340 -0.000 0.000 0.216 506 L C 1.789 178.496 176.870 -0.272 0.000 1.074 506 L CA 2.186 56.834 54.840 -0.319 0.000 0.763 506 L CB -1.213 40.528 42.059 -0.530 0.000 0.890 506 L HN 0.334 nan 8.230 nan 0.000 0.434 507 E N -1.344 118.763 120.200 -0.155 0.000 2.086 507 E HA -0.323 4.027 4.350 -0.000 0.000 0.200 507 E C 2.161 178.678 176.600 -0.139 0.000 1.012 507 E CA 1.850 58.165 56.400 -0.142 0.000 0.812 507 E CB -0.610 29.052 29.700 -0.064 0.000 0.743 507 E HN 0.739 nan 8.360 nan 0.000 0.453 508 H N -0.228 118.779 119.070 -0.105 0.000 2.319 508 H HA -0.109 4.447 4.556 -0.000 0.000 0.299 508 H C 1.771 177.055 175.328 -0.074 0.000 1.092 508 H CA 1.952 57.959 56.048 -0.068 0.000 1.302 508 H CB -0.383 29.364 29.762 -0.025 0.000 1.373 508 H HN 0.247 nan 8.280 nan 0.000 0.497 509 C N 0.738 119.985 119.300 -0.089 0.000 2.413 509 C HA -0.122 4.338 4.460 -0.000 0.000 0.276 509 C C 2.582 177.367 174.990 -0.342 0.000 1.236 509 C CA 1.264 60.209 59.018 -0.122 0.000 1.735 509 C CB -0.728 26.968 27.740 -0.073 0.000 2.031 509 C HN 0.693 nan 8.230 nan 0.000 0.474 510 E N 0.303 120.140 120.200 -0.606 0.000 2.031 510 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 510 E C 2.317 178.757 176.600 -0.267 0.000 0.994 510 E CA 1.087 57.126 56.400 -0.601 0.000 0.800 510 E CB -0.362 29.004 29.700 -0.558 0.000 0.752 510 E HN 0.660 nan 8.360 nan 0.000 0.447 511 Q N 0.266 119.914 119.800 -0.253 0.000 2.152 511 Q HA -0.164 4.176 4.340 -0.000 0.000 0.206 511 Q C 2.316 178.210 176.000 -0.176 0.000 0.985 511 Q CA 1.906 57.594 55.803 -0.192 0.000 0.863 511 Q CB -0.088 28.530 28.738 -0.199 0.000 0.904 511 Q HN 0.235 nan 8.270 nan 0.000 0.422 512 S N 0.014 115.572 115.700 -0.236 0.000 2.527 512 S HA -0.053 4.416 4.470 -0.000 0.000 0.222 512 S C 0.523 175.102 174.600 -0.034 0.000 0.985 512 S CA -0.111 57.998 58.200 -0.151 0.000 0.921 512 S CB 0.055 63.132 63.200 -0.205 0.000 0.772 512 S HN 0.186 nan 8.310 nan 0.000 0.529 513 D N 2.490 122.886 120.400 -0.006 0.000 2.520 513 D HA 0.045 4.685 4.640 -0.000 0.000 0.243 513 D C 0.153 176.479 176.300 0.043 0.000 1.160 513 D CA 0.542 54.592 54.000 0.083 0.000 0.877 513 D CB 0.551 41.470 40.800 0.198 0.000 1.150 513 D HN 0.357 nan 8.370 nan 0.000 0.494 514 K N 3.146 123.572 120.400 0.044 0.000 2.455 514 K HA 0.225 4.545 4.320 -0.000 0.000 0.206 514 K C 1.020 177.630 176.600 0.018 0.000 1.027 514 K CA -0.154 56.147 56.287 0.024 0.000 1.113 514 K CB 1.006 33.521 32.500 0.024 0.000 0.850 514 K HN 0.236 nan 8.250 nan 0.000 0.503 515 R N -0.556 119.956 120.500 0.020 0.000 2.531 515 R HA 0.106 4.446 4.340 -0.000 0.000 0.316 515 R C 0.561 176.847 176.300 -0.022 0.000 0.955 515 R CA 0.369 56.469 56.100 -0.000 0.000 1.120 515 R CB 1.252 31.553 30.300 0.001 0.000 1.361 515 R HN 0.289 nan 8.270 nan 0.000 0.534 516 G N 1.837 110.629 108.800 -0.013 0.000 2.179 516 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.257 516 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.257 516 G C 0.668 175.507 174.900 -0.101 0.000 1.010 516 G CA 0.501 45.578 45.100 -0.037 0.000 0.736 516 G HN 0.295 nan 8.290 nan 0.000 0.513 517 I N -1.447 119.038 120.570 -0.142 0.000 2.406 517 I HA -0.010 4.160 4.170 -0.000 0.000 0.249 517 I C 2.363 178.145 176.117 -0.559 0.000 1.122 517 I CA 0.981 62.066 61.300 -0.358 0.000 1.431 517 I CB -0.260 37.517 38.000 -0.371 0.000 1.087 517 I HN 0.282 nan 8.210 nan 0.000 0.424 518 Y N 0.670 120.795 120.300 -0.291 0.000 2.293 518 Y HA -0.186 4.364 4.550 -0.000 0.000 0.291 518 Y C 2.594 178.369 175.900 -0.208 0.000 1.137 518 Y CA 1.153 59.103 58.100 -0.249 0.000 1.202 518 Y CB -0.347 38.064 38.460 -0.082 0.000 0.990 518 Y HN 0.117 nan 8.280 nan 0.000 0.537 519 A N 0.140 122.948 122.820 -0.020 0.000 1.858 519 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 519 A C 2.428 179.956 177.584 -0.092 0.000 1.190 519 A CA 1.868 53.880 52.037 -0.041 0.000 0.617 519 A CB -1.346 17.633 19.000 -0.036 0.000 0.827 519 A HN 0.399 nan 8.150 nan 0.000 0.443 520 A N -0.134 122.597 122.820 -0.147 0.000 1.883 520 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 520 A C 2.522 179.993 177.584 -0.188 0.000 1.186 520 A CA 2.418 54.359 52.037 -0.159 0.000 0.624 520 A CB -1.145 17.744 19.000 -0.185 0.000 0.822 520 A HN 1.180 nan 8.150 nan 0.000 0.444 521 A N -0.904 121.726 122.820 -0.317 0.000 1.972 521 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 521 A C 2.206 179.726 177.584 -0.107 0.000 1.169 521 A CA 1.470 53.332 52.037 -0.291 0.000 0.635 521 A CB -0.437 18.201 19.000 -0.602 0.000 0.810 521 A HN 0.395 nan 8.150 nan 0.000 0.446 522 R N 0.100 120.556 120.500 -0.072 0.000 2.075 522 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 522 R C 1.627 177.916 176.300 -0.018 0.000 1.126 522 R CA 1.582 57.674 56.100 -0.013 0.000 0.963 522 R CB -0.437 29.862 30.300 -0.001 0.000 0.858 522 R HN 0.797 nan 8.270 nan 0.000 0.435 523 R N -0.196 120.281 120.500 -0.037 0.000 2.555 523 R HA 0.205 4.544 4.340 -0.000 0.000 0.272 523 R C 0.663 176.946 176.300 -0.030 0.000 1.089 523 R CA 0.601 56.684 56.100 -0.029 0.000 1.126 523 R CB -0.060 30.222 30.300 -0.031 0.000 1.250 523 R HN 0.156 nan 8.270 nan 0.000 0.551 524 G N 1.395 110.178 108.800 -0.029 0.000 2.196 524 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.268 524 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.268 524 G C 0.597 175.478 174.900 -0.033 0.000 0.975 524 G CA 0.666 45.753 45.100 -0.022 0.000 0.648 524 G HN 0.594 nan 8.290 nan 0.000 0.538 525 E N -0.600 119.566 120.200 -0.057 0.000 2.472 525 E HA 0.163 4.513 4.350 -0.000 0.000 0.200 525 E C 0.815 177.371 176.600 -0.073 0.000 1.046 525 E CA 0.649 57.012 56.400 -0.062 0.000 0.871 525 E CB 0.232 29.886 29.700 -0.077 0.000 0.806 525 E HN 0.674 nan 8.360 nan 0.000 0.533 526 I N 0.848 121.366 120.570 -0.085 0.000 2.571 526 I HA 0.169 4.339 4.170 -0.000 0.000 0.289 526 I C -0.246 175.858 176.117 -0.021 0.000 1.115 526 I CA -0.818 60.433 61.300 -0.081 0.000 1.045 526 I CB 2.301 40.185 38.000 -0.193 0.000 1.238 526 I HN -0.196 nan 8.210 nan 0.000 0.424 527 K N 3.591 124.003 120.400 0.019 0.000 2.107 527 K HA 0.334 4.654 4.320 -0.000 0.000 0.251 527 K C 0.907 177.562 176.600 0.093 0.000 1.012 527 K CA 0.168 56.488 56.287 0.055 0.000 0.920 527 K CB 1.064 33.603 32.500 0.066 0.000 1.033 527 K HN 0.854 nan 8.250 nan 0.000 0.478 528 G N 3.117 111.982 108.800 0.108 0.000 2.318 528 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.272 528 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.272 528 G C -0.241 174.746 174.900 0.146 0.000 0.845 528 G CA 0.393 45.572 45.100 0.131 0.000 1.153 528 G HN 0.479 nan 8.290 nan 0.000 0.460 529 F N 1.615 121.548 119.950 -0.028 0.000 2.467 529 F HA 0.389 4.915 4.527 -0.000 0.000 0.362 529 F C 1.375 177.183 175.800 0.014 0.000 1.090 529 F CA -0.316 57.639 58.000 -0.076 0.000 1.202 529 F CB 0.649 39.566 39.000 -0.138 0.000 1.113 529 F HN 0.136 nan 8.300 nan 0.000 0.541 530 T N 5.230 119.545 114.554 -0.399 0.000 2.933 530 T HA 0.335 4.685 4.350 -0.000 0.000 0.306 530 T C 1.101 175.847 174.700 0.076 0.000 1.045 530 T CA 1.155 63.190 62.100 -0.108 0.000 1.143 530 T CB 0.217 69.029 68.868 -0.093 0.000 1.003 530 T HN 1.083 nan 8.240 nan 0.000 0.540 531 G N 1.910 110.849 108.800 0.232 0.000 2.363 531 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.238 531 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.238 531 G C 0.917 175.895 174.900 0.130 0.000 1.062 531 G CA 0.363 45.555 45.100 0.153 0.000 0.629 531 G HN 0.628 nan 8.290 nan 0.000 0.514 532 V N 0.509 120.548 119.914 0.208 0.000 2.502 532 V HA 0.183 4.303 4.120 -0.000 0.000 0.234 532 V C 1.795 177.976 176.094 0.144 0.000 1.072 532 V CA 2.158 64.572 62.300 0.190 0.000 1.094 532 V CB -0.166 31.812 31.823 0.259 0.000 0.761 532 V HN 0.357 nan 8.190 nan 0.000 0.489 533 D N -1.039 119.455 120.400 0.157 0.000 2.469 533 D HA 0.213 4.852 4.640 -0.000 0.000 0.213 533 D C -0.317 176.057 176.300 0.124 0.000 1.135 533 D CA 0.202 54.276 54.000 0.123 0.000 0.834 533 D CB 1.254 42.122 40.800 0.113 0.000 1.009 533 D HN 0.311 nan 8.370 nan 0.000 0.507 534 D N 0.807 121.286 120.400 0.131 0.000 2.671 534 D HA 0.289 4.929 4.640 -0.000 0.000 0.232 534 D C -2.519 173.853 176.300 0.121 0.000 1.114 534 D CA -1.823 52.255 54.000 0.130 0.000 0.858 534 D CB 3.179 44.056 40.800 0.128 0.000 1.544 534 D HN -0.219 nan 8.370 nan 0.000 0.471 535 P HA 0.180 nan 4.420 nan 0.000 0.276 535 P C -1.225 176.051 177.300 -0.039 0.000 1.252 535 P CA -0.361 62.779 63.100 0.068 0.000 0.802 535 P CB 0.749 32.487 31.700 0.063 0.000 1.035 536 Y N 0.353 120.610 120.300 -0.072 0.000 2.426 536 Y HA 0.221 4.771 4.550 -0.000 0.000 0.325 536 Y C 0.005 175.800 175.900 -0.174 0.000 0.989 536 Y CA -0.616 57.373 58.100 -0.186 0.000 1.284 536 Y CB 0.954 39.294 38.460 -0.200 0.000 1.104 536 Y HN 0.293 nan 8.280 nan 0.000 0.481 537 E N 4.524 124.330 120.200 -0.657 0.000 1.985 537 E HA 0.046 4.396 4.350 -0.000 0.000 0.268 537 E C -0.095 176.178 176.600 -0.545 0.000 1.219 537 E CA 0.004 56.153 56.400 -0.419 0.000 0.942 537 E CB 0.293 29.827 29.700 -0.278 0.000 1.045 537 E HN 0.570 nan 8.360 nan 0.000 0.413 538 T N 5.241 119.645 114.554 -0.250 0.000 2.866 538 T HA 0.022 4.372 4.350 -0.000 0.000 0.293 538 T C -1.992 172.598 174.700 -0.183 0.000 1.005 538 T CA -0.874 61.147 62.100 -0.132 0.000 1.162 538 T CB 0.036 68.962 68.868 0.097 0.000 0.968 538 T HN 0.244 nan 8.240 nan 0.000 0.530 539 P HA 0.130 nan 4.420 nan 0.000 0.268 539 P C 0.534 177.817 177.300 -0.029 0.000 1.208 539 P CA 0.011 63.016 63.100 -0.158 0.000 0.777 539 P CB 0.696 32.287 31.700 -0.181 0.000 0.875 540 E N 0.978 121.174 120.200 -0.007 0.000 2.364 540 E HA 0.061 4.411 4.350 -0.000 0.000 0.203 540 E C 0.964 177.587 176.600 0.039 0.000 0.888 540 E CA 0.216 56.630 56.400 0.023 0.000 0.989 540 E CB 0.370 30.076 29.700 0.010 0.000 0.985 540 E HN 0.289 nan 8.360 nan 0.000 0.499 541 K N 0.956 121.378 120.400 0.036 0.000 3.045 541 K HA 0.603 4.922 4.320 -0.000 0.000 0.211 541 K C -0.124 176.515 176.600 0.065 0.000 1.141 541 K CA 0.227 56.541 56.287 0.045 0.000 1.036 541 K CB 0.460 32.978 32.500 0.031 0.000 0.851 541 K HN 0.180 nan 8.250 nan 0.000 0.462 542 A N 0.878 123.749 122.820 0.084 0.000 2.498 542 A HA 0.223 4.543 4.320 -0.000 0.000 0.239 542 A C 0.796 178.444 177.584 0.107 0.000 1.068 542 A CA 0.113 52.216 52.037 0.111 0.000 0.766 542 A CB 0.181 19.276 19.000 0.157 0.000 1.003 542 A HN 0.554 nan 8.150 nan 0.000 0.497 543 D N -0.378 120.094 120.400 0.120 0.000 2.219 543 D HA 0.002 4.642 4.640 -0.000 0.000 0.205 543 D C 0.007 176.367 176.300 0.100 0.000 0.970 543 D CA 1.444 55.525 54.000 0.134 0.000 0.851 543 D CB 0.057 40.991 40.800 0.223 0.000 0.943 543 D HN 0.362 nan 8.370 nan 0.000 0.488 544 L N 0.027 121.304 121.223 0.089 0.000 2.611 544 L HA 0.241 4.581 4.340 -0.000 0.000 0.260 544 L C -1.673 175.238 176.870 0.068 0.000 0.924 544 L CA -0.593 54.280 54.840 0.054 0.000 0.901 544 L CB 2.200 44.266 42.059 0.012 0.000 1.369 544 L HN -0.367 nan 8.230 nan 0.000 0.415 545 V N 5.163 125.104 119.914 0.045 0.000 2.459 545 V HA 0.840 4.959 4.120 -0.000 0.000 0.295 545 V C -0.404 175.675 176.094 -0.025 0.000 1.029 545 V CA -0.556 61.755 62.300 0.018 0.000 0.874 545 V CB 1.725 33.561 31.823 0.022 0.000 0.985 545 V HN 0.597 nan 8.190 nan 0.000 0.438 546 V N 2.784 122.662 119.914 -0.060 0.000 3.078 546 V HA 0.600 4.719 4.120 -0.000 0.000 0.311 546 V C -1.221 174.835 176.094 -0.062 0.000 1.138 546 V CA -0.622 61.654 62.300 -0.040 0.000 1.007 546 V CB 2.526 34.346 31.823 -0.005 0.000 1.045 546 V HN 0.910 nan 8.190 nan 0.000 0.432 547 D N 1.028 121.412 120.400 -0.027 0.000 2.542 547 D HA 0.249 4.888 4.640 -0.000 0.000 0.252 547 D C 0.007 176.323 176.300 0.027 0.000 1.222 547 D CA -0.453 53.530 54.000 -0.028 0.000 0.895 547 D CB 1.588 42.348 40.800 -0.067 0.000 1.207 547 D HN 0.386 nan 8.370 nan 0.000 0.558 548 F N 2.958 122.847 119.950 -0.103 0.000 2.641 548 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 548 F C 1.492 177.179 175.800 -0.188 0.000 1.146 548 F CA 0.819 58.764 58.000 -0.091 0.000 1.464 548 F CB 0.246 39.230 39.000 -0.026 0.000 1.101 548 F HN 0.204 nan 8.300 nan 0.000 0.585 549 S N -0.516 114.946 115.700 -0.398 0.000 2.439 549 S HA 0.005 4.475 4.470 -0.000 0.000 0.224 549 S C 1.785 176.163 174.600 -0.369 0.000 1.029 549 S CA 0.360 58.163 58.200 -0.661 0.000 0.946 549 S CB 0.063 62.867 63.200 -0.659 0.000 0.797 549 S HN 0.213 nan 8.310 nan 0.000 0.504 550 K N 1.053 121.316 120.400 -0.228 0.000 2.335 550 K HA 0.296 4.616 4.320 -0.000 0.000 0.195 550 K C 0.303 176.839 176.600 -0.107 0.000 1.058 550 K CA 0.440 56.642 56.287 -0.142 0.000 0.988 550 K CB 0.204 32.647 32.500 -0.096 0.000 0.880 550 K HN 0.438 nan 8.250 nan 0.000 0.513 551 Q N 0.612 120.356 119.800 -0.093 0.000 2.394 551 Q HA 0.301 4.641 4.340 -0.000 0.000 0.273 551 Q C -0.521 175.464 176.000 -0.025 0.000 1.089 551 Q CA -0.638 55.140 55.803 -0.041 0.000 0.812 551 Q CB 2.229 30.968 28.738 0.002 0.000 1.353 551 Q HN 0.030 nan 8.270 nan 0.000 0.438 552 S N -0.302 115.395 115.700 -0.005 0.000 2.600 552 S HA 0.138 4.607 4.470 -0.000 0.000 0.265 552 S C 1.317 175.986 174.600 0.114 0.000 1.325 552 S CA -0.268 57.952 58.200 0.035 0.000 1.002 552 S CB 0.707 63.919 63.200 0.019 0.000 0.921 552 S HN 0.589 nan 8.310 nan 0.000 0.554 553 V N 0.149 120.165 119.914 0.170 0.000 2.358 553 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 553 V C 2.698 178.845 176.094 0.089 0.000 1.047 553 V CA 1.675 64.066 62.300 0.152 0.000 1.035 553 V CB -1.543 30.367 31.823 0.145 0.000 0.658 553 V HN 1.012 nan 8.190 nan 0.000 0.452 554 R N 1.311 121.854 120.500 0.072 0.000 2.120 554 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 554 R C 2.412 178.759 176.300 0.079 0.000 1.123 554 R CA 1.956 58.092 56.100 0.059 0.000 0.975 554 R CB -0.908 29.413 30.300 0.034 0.000 0.866 554 R HN 0.512 nan 8.270 nan 0.000 0.446 555 S N 0.628 116.369 115.700 0.068 0.000 2.383 555 S HA -0.002 4.468 4.470 -0.000 0.000 0.227 555 S C 1.969 176.622 174.600 0.088 0.000 1.026 555 S CA 0.843 59.090 58.200 0.079 0.000 0.981 555 S CB -0.138 63.089 63.200 0.045 0.000 0.818 555 S HN 0.403 nan 8.310 nan 0.000 0.472 556 I N 0.913 121.525 120.570 0.071 0.000 2.202 556 I HA -0.108 4.062 4.170 -0.000 0.000 0.242 556 I C 2.293 178.425 176.117 0.024 0.000 1.091 556 I CA 0.894 62.223 61.300 0.048 0.000 1.368 556 I CB -0.477 37.561 38.000 0.063 0.000 1.058 556 I HN 0.172 nan 8.210 nan 0.000 0.410 557 V N 0.520 120.456 119.914 0.038 0.000 2.332 557 V HA -0.350 3.769 4.120 -0.000 0.000 0.248 557 V C 2.515 178.613 176.094 0.007 0.000 1.055 557 V CA 2.352 64.661 62.300 0.016 0.000 1.038 557 V CB -0.934 30.910 31.823 0.035 0.000 0.651 557 V HN 0.481 nan 8.190 nan 0.000 0.450 558 H N -0.132 118.923 119.070 -0.025 0.000 2.457 558 H HA -0.102 4.454 4.556 -0.000 0.000 0.294 558 H C 2.300 177.601 175.328 -0.045 0.000 1.064 558 H CA 1.867 57.897 56.048 -0.031 0.000 1.330 558 H CB 0.100 29.851 29.762 -0.019 0.000 1.395 558 H HN 0.490 nan 8.280 nan 0.000 0.541 559 E N -0.196 119.932 120.200 -0.121 0.000 2.072 559 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 559 E C 2.147 178.624 176.600 -0.204 0.000 0.985 559 E CA 1.140 57.450 56.400 -0.151 0.000 0.801 559 E CB 0.047 29.711 29.700 -0.060 0.000 0.750 559 E HN 0.541 nan 8.360 nan 0.000 0.452 560 I N 1.170 121.632 120.570 -0.179 0.000 2.179 560 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 560 I C 2.294 178.230 176.117 -0.302 0.000 1.088 560 I CA 0.682 61.845 61.300 -0.228 0.000 1.357 560 I CB -0.263 37.632 38.000 -0.175 0.000 1.051 560 I HN 0.178 nan 8.210 nan 0.000 0.409 561 I N 0.738 121.147 120.570 -0.268 0.000 2.226 561 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 561 I C 2.593 178.525 176.117 -0.308 0.000 1.100 561 I CA 1.727 62.868 61.300 -0.266 0.000 1.374 561 I CB -0.889 36.997 38.000 -0.189 0.000 1.057 561 I HN 0.292 nan 8.210 nan 0.000 0.413 562 L N -0.055 120.935 121.223 -0.389 0.000 2.046 562 L HA -0.209 4.130 4.340 -0.000 0.000 0.208 562 L C 2.661 179.402 176.870 -0.214 0.000 1.077 562 L CA 0.962 55.623 54.840 -0.297 0.000 0.747 562 L CB -0.397 41.481 42.059 -0.300 0.000 0.896 562 L HN 0.046 nan 8.230 nan 0.000 0.432 563 V N 0.120 119.883 119.914 -0.252 0.000 2.261 563 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 563 V C 2.397 178.315 176.094 -0.293 0.000 1.047 563 V CA 1.717 63.868 62.300 -0.247 0.000 1.015 563 V CB -0.355 31.277 31.823 -0.317 0.000 0.642 563 V HN 0.339 nan 8.190 nan 0.000 0.446 564 L N -0.430 120.517 121.223 -0.461 0.000 2.012 564 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 564 L C 2.583 179.401 176.870 -0.087 0.000 1.073 564 L CA 1.998 56.577 54.840 -0.434 0.000 0.748 564 L CB -0.606 41.104 42.059 -0.581 0.000 0.891 564 L HN 0.394 nan 8.230 nan 0.000 0.431 565 E N -0.102 120.036 120.200 -0.104 0.000 2.085 565 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 565 E C 2.206 178.803 176.600 -0.005 0.000 0.994 565 E CA 1.578 57.959 56.400 -0.033 0.000 0.801 565 E CB 0.016 29.683 29.700 -0.055 0.000 0.743 565 E HN 0.489 nan 8.360 nan 0.000 0.453 566 S N -0.275 115.411 115.700 -0.022 0.000 2.547 566 S HA -0.102 4.367 4.470 -0.000 0.000 0.235 566 S C 1.397 176.023 174.600 0.044 0.000 0.980 566 S CA 0.622 58.824 58.200 0.003 0.000 0.941 566 S CB 0.131 63.325 63.200 -0.009 0.000 0.763 566 S HN 0.213 nan 8.310 nan 0.000 0.532 567 Q N 0.007 119.866 119.800 0.099 0.000 2.175 567 Q HA 0.349 4.688 4.340 -0.000 0.000 0.225 567 Q C 0.993 176.997 176.000 0.006 0.000 0.837 567 Q CA 0.118 56.010 55.803 0.148 0.000 1.032 567 Q CB 0.516 29.491 28.738 0.396 0.000 1.137 567 Q HN 0.722 nan 8.270 nan 0.000 0.483 568 G N 0.383 109.178 108.800 -0.008 0.000 2.189 568 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.267 568 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.267 568 G C 0.461 175.289 174.900 -0.120 0.000 0.975 568 G CA 0.478 45.528 45.100 -0.084 0.000 0.644 568 G HN 0.462 nan 8.290 nan 0.000 0.537 569 F N 0.085 120.039 119.950 0.007 0.000 2.186 569 F HA 0.212 4.739 4.527 -0.000 0.000 0.299 569 F C 2.558 178.396 175.800 0.064 0.000 1.090 569 F CA 1.558 59.586 58.000 0.047 0.000 1.307 569 F CB -0.118 38.858 39.000 -0.039 0.000 1.019 569 F HN 0.242 nan 8.300 nan 0.000 0.489 570 L N -0.271 121.061 121.223 0.181 0.000 2.592 570 L HA 0.052 4.392 4.340 -0.000 0.000 0.227 570 L C 0.445 177.362 176.870 0.078 0.000 1.127 570 L CA -0.025 54.891 54.840 0.126 0.000 0.884 570 L CB -0.509 41.595 42.059 0.076 0.000 1.065 570 L HN -0.058 nan 8.230 nan 0.000 0.457 571 E N 3.030 123.262 120.200 0.054 0.000 3.160 571 E HA -0.135 4.215 4.350 -0.000 0.000 0.219 571 E C 0.263 176.887 176.600 0.040 0.000 1.126 571 E CA 0.494 56.914 56.400 0.032 0.000 0.915 571 E CB -0.357 29.352 29.700 0.015 0.000 0.985 571 E HN 0.418 nan 8.360 nan 0.000 0.536 572 R N 1.691 122.215 120.500 0.040 0.000 3.127 572 R HA -0.034 4.306 4.340 -0.000 0.000 0.290 572 R C 1.188 177.507 176.300 0.032 0.000 1.089 572 R CA 0.269 56.393 56.100 0.039 0.000 1.188 572 R CB 0.151 30.472 30.300 0.036 0.000 1.175 572 R HN 0.480 nan 8.270 nan 0.000 0.550 573 Q N 0.000 119.818 119.800 0.030 0.000 2.315 573 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 573 Q CA 0.000 55.818 55.803 0.024 0.000 1.022 573 Q CB 0.000 28.752 28.738 0.024 0.000 1.108 573 Q HN 0.000 nan 8.270 nan 0.000 0.481