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 2pf4_1_B DATA FIRST_RESID 15 DATA SEQUENCE VLIDELRNED VQLRLNSIKK LSTIALALGV ERTRSELLPF LTDTIYDEDE DATA SEQUENCE VLLALAEQLG TFTTLVGGPE YVHCLLPPLE SLATVEETVV RDKAVESLRA DATA SEQUENCE ISHEHSPSDL EAHFVPLVKR LAGGDWFTSR TSACGLFSVC YPRVSSAVKA DATA SEQUENCE ELRQYFRNLC SDDTPMVRRA AASKLGEFAK VLELDNVKSE IIPMFSNLAS DATA SEQUENCE DEQDSVRLLA VEACVNIAQL LPQEDLEALV MPTLRQAAED KSWRVRYMVA DATA SEQUENCE DKFTELQKAV GPEITKTDLV PAFQNLMKDC EAEVRAAASH KVKEFCENLS DATA SEQUENCE ADCRENVIMT QILPCIKELV SDANQHVKSA LASVIMGLSP ILGKDNTIEH DATA SEQUENCE LLPLFLAQLK DECPEVRLNI ISNLDCVNEV IGIRQLSQSL LPAIVELAED DATA SEQUENCE AKWRVRLAII EYMPLLAGQL GVEFFDEKLN SLCMAWLVDH VYAIREAATS DATA SEQUENCE NLKKLVEKFG KEWAHATIIP KVLAMSGDPN YLHRMTTLFC INVLSEVCGQ DATA SEQUENCE DITTKHMLPT VLRMAGDPVA NVRFNVAKSL QKIGPILDNS TLQSEVKPIL DATA SEQUENCE EKLTQDQDVD VKYFAQEALT VLSLA 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 15 V HA 0.000 nan 4.120 nan 0.000 0.244 15 V C 0.000 176.045 176.094 -0.081 0.000 1.182 15 V CA 0.000 62.266 62.300 -0.056 0.000 1.235 15 V CB 0.000 31.794 31.823 -0.048 0.000 1.184 16 L N 2.899 124.047 121.223 -0.126 0.000 4.342 16 L HA -0.158 3.879 4.340 -0.504 0.000 0.395 16 L C 1.066 177.812 176.870 -0.206 0.000 0.764 16 L CA 2.572 57.284 54.840 -0.215 0.000 2.417 16 L CB -0.759 41.192 42.059 -0.180 0.000 1.210 16 L HN 1.003 nan 8.230 nan 0.000 0.626 17 I N -3.054 117.453 120.570 -0.106 0.000 3.810 17 I HA 0.210 4.078 4.170 -0.504 0.000 0.322 17 I C 0.362 176.452 176.117 -0.046 0.000 1.288 17 I CA 0.064 61.331 61.300 -0.055 0.000 1.143 17 I CB -0.222 37.764 38.000 -0.023 0.000 1.012 17 I HN 0.056 nan 8.210 nan 0.000 0.423 18 D N 4.411 124.765 120.400 -0.076 0.000 2.713 18 D HA 0.062 4.400 4.640 -0.504 0.000 0.229 18 D C -0.115 176.156 176.300 -0.049 0.000 1.136 18 D CA 0.195 54.164 54.000 -0.052 0.000 1.010 18 D CB 0.260 41.028 40.800 -0.054 0.000 1.084 18 D HN 0.652 nan 8.370 nan 0.000 0.495 19 E N 0.629 120.827 120.200 -0.004 0.000 2.109 19 E HA 0.265 4.312 4.350 -0.504 0.000 0.278 19 E C -0.497 176.142 176.600 0.065 0.000 0.954 19 E CA -0.886 55.556 56.400 0.069 0.000 0.779 19 E CB 1.838 31.644 29.700 0.176 0.000 1.093 19 E HN 0.013 nan 8.360 nan 0.000 0.401 20 L N 4.121 125.381 121.223 0.062 0.000 2.260 20 L HA 0.243 4.280 4.340 -0.504 0.000 0.289 20 L C -0.011 176.895 176.870 0.059 0.000 1.057 20 L CA -0.122 54.748 54.840 0.049 0.000 0.811 20 L CB 0.455 42.536 42.059 0.036 0.000 1.184 20 L HN 0.503 nan 8.230 nan 0.000 0.429 21 R N 4.079 124.609 120.500 0.050 0.000 2.881 21 R HA 0.287 4.325 4.340 -0.504 0.000 0.331 21 R C -0.364 175.956 176.300 0.033 0.000 1.207 21 R CA -0.275 55.853 56.100 0.046 0.000 1.265 21 R CB -0.011 30.318 30.300 0.049 0.000 1.351 21 R HN 0.756 nan 8.270 nan 0.000 0.613 22 N N 0.525 119.242 118.700 0.029 0.000 2.288 22 N HA -0.035 4.402 4.740 -0.504 0.000 0.237 22 N C 0.089 175.611 175.510 0.021 0.000 1.311 22 N CA -0.198 52.865 53.050 0.022 0.000 0.909 22 N CB 0.555 39.054 38.487 0.020 0.000 1.167 22 N HN -0.065 nan 8.380 nan 0.000 0.476 23 E N 1.620 121.830 120.200 0.016 0.000 2.773 23 E HA 0.020 4.067 4.350 -0.504 0.000 0.302 23 E C -0.619 175.990 176.600 0.015 0.000 1.574 23 E CA 0.243 56.652 56.400 0.015 0.000 1.775 23 E CB -1.035 28.672 29.700 0.012 0.000 1.413 23 E HN 0.369 nan 8.360 nan 0.000 0.471 24 D N -1.529 118.882 120.400 0.018 0.000 3.215 24 D HA -0.315 4.022 4.640 -0.504 0.000 0.194 24 D C 1.182 177.492 176.300 0.016 0.000 1.369 24 D CA 1.598 55.609 54.000 0.019 0.000 1.068 24 D CB -0.644 40.168 40.800 0.019 0.000 0.604 24 D HN 0.100 nan 8.370 nan 0.000 0.683 25 V N -1.684 118.239 119.914 0.015 0.000 0.690 25 V HA -0.415 3.402 4.120 -0.504 0.000 0.092 25 V C 1.914 178.016 176.094 0.014 0.000 0.789 25 V CA 3.042 65.350 62.300 0.013 0.000 3.100 25 V CB -1.684 30.146 31.823 0.011 0.000 0.195 25 V HN 0.730 nan 8.190 nan 0.000 0.099 26 Q N -0.057 119.751 119.800 0.013 0.000 2.297 26 Q HA -0.054 3.983 4.340 -0.504 0.000 0.208 26 Q C 1.531 177.539 176.000 0.014 0.000 0.981 26 Q CA 2.272 58.083 55.803 0.013 0.000 0.876 26 Q CB -0.314 28.430 28.738 0.011 0.000 0.921 26 Q HN 0.716 nan 8.270 nan 0.000 0.446 27 L N -1.610 119.621 121.223 0.015 0.000 2.253 27 L HA 0.120 4.157 4.340 -0.504 0.000 0.205 27 L C 2.603 179.485 176.870 0.020 0.000 1.078 27 L CA 1.557 56.407 54.840 0.016 0.000 0.805 27 L CB -0.631 41.437 42.059 0.015 0.000 0.963 27 L HN 0.110 nan 8.230 nan 0.000 0.459 28 R N -0.215 120.298 120.500 0.022 0.000 2.153 28 R HA 0.047 4.084 4.340 -0.504 0.000 0.218 28 R C 1.953 178.268 176.300 0.025 0.000 1.072 28 R CA 1.295 57.411 56.100 0.027 0.000 0.990 28 R CB -1.398 28.919 30.300 0.029 0.000 0.889 28 R HN 0.295 nan 8.270 nan 0.000 0.452 29 L N 1.153 122.388 121.223 0.020 0.000 2.046 29 L HA -0.163 3.874 4.340 -0.504 0.000 0.208 29 L C 1.414 178.296 176.870 0.021 0.000 1.077 29 L CA 2.303 57.154 54.840 0.019 0.000 0.747 29 L CB -0.786 41.282 42.059 0.016 0.000 0.896 29 L HN 0.553 nan 8.230 nan 0.000 0.432 30 N N -0.888 117.823 118.700 0.019 0.000 2.188 30 N HA -0.143 4.294 4.740 -0.504 0.000 0.184 30 N C 1.686 177.208 175.510 0.020 0.000 1.018 30 N CA 1.311 54.371 53.050 0.018 0.000 0.858 30 N CB 0.078 38.574 38.487 0.014 0.000 0.989 30 N HN 0.281 nan 8.380 nan 0.000 0.426 31 S N 0.783 116.497 115.700 0.022 0.000 2.428 31 S HA -0.008 4.159 4.470 -0.504 0.000 0.230 31 S C 1.796 176.415 174.600 0.031 0.000 1.014 31 S CA 0.393 58.607 58.200 0.023 0.000 0.957 31 S CB 0.054 63.270 63.200 0.025 0.000 0.784 31 S HN 0.221 nan 8.310 nan 0.000 0.499 32 I N 1.971 122.562 120.570 0.035 0.000 2.716 32 I HA -0.072 3.796 4.170 -0.504 0.000 0.259 32 I C 1.753 177.900 176.117 0.050 0.000 1.172 32 I CA 0.901 62.226 61.300 0.042 0.000 1.478 32 I CB -0.034 37.987 38.000 0.035 0.000 1.104 32 I HN 0.138 nan 8.210 nan 0.000 0.439 33 K N 0.204 120.629 120.400 0.042 0.000 2.366 33 K HA -0.081 3.936 4.320 -0.504 0.000 0.198 33 K C 1.754 178.382 176.600 0.046 0.000 1.044 33 K CA 1.096 57.411 56.287 0.046 0.000 0.973 33 K CB -0.482 32.037 32.500 0.032 0.000 0.767 33 K HN 0.024 nan 8.250 nan 0.000 0.475 34 K N 0.426 120.849 120.400 0.038 0.000 2.546 34 K HA 0.140 4.157 4.320 -0.504 0.000 0.198 34 K C 0.644 177.270 176.600 0.043 0.000 1.028 34 K CA -0.065 56.239 56.287 0.028 0.000 1.150 34 K CB 0.016 32.526 32.500 0.016 0.000 0.876 34 K HN 0.066 nan 8.250 nan 0.000 0.508 35 L N -0.022 121.253 121.223 0.087 0.000 2.341 35 L HA -0.013 4.024 4.340 -0.504 0.000 0.214 35 L C 1.769 178.762 176.870 0.205 0.000 1.115 35 L CA 1.173 56.109 54.840 0.160 0.000 0.820 35 L CB -0.006 42.178 42.059 0.208 0.000 0.944 35 L HN 0.216 nan 8.230 nan 0.000 0.452 36 S N -2.930 112.816 115.700 0.076 0.000 2.607 36 S HA -0.040 4.127 4.470 -0.504 0.000 0.224 36 S C 1.399 175.924 174.600 -0.125 0.000 0.969 36 S CA 0.850 58.968 58.200 -0.136 0.000 0.927 36 S CB -0.570 62.549 63.200 -0.136 0.000 0.772 36 S HN 0.510 nan 8.310 nan 0.000 0.533 37 T N -1.002 113.524 114.554 -0.046 0.000 2.975 37 T HA 0.409 4.456 4.350 -0.504 0.000 0.257 37 T C 1.488 176.171 174.700 -0.029 0.000 1.003 37 T CA -0.277 61.796 62.100 -0.045 0.000 0.932 37 T CB -0.463 68.386 68.868 -0.031 0.000 1.087 37 T HN 0.313 nan 8.240 nan 0.000 0.512 38 I N 1.851 122.417 120.570 -0.006 0.000 2.286 38 I HA -0.097 3.771 4.170 -0.504 0.000 0.248 38 I C 2.852 178.964 176.117 -0.009 0.000 1.115 38 I CA 1.501 62.798 61.300 -0.006 0.000 1.392 38 I CB -0.209 37.793 38.000 0.003 0.000 1.065 38 I HN 0.371 nan 8.210 nan 0.000 0.418 39 A N -0.068 122.747 122.820 -0.008 0.000 2.044 39 A HA 0.077 4.094 4.320 -0.504 0.000 0.213 39 A C 2.141 179.687 177.584 -0.064 0.000 1.169 39 A CA 0.233 52.254 52.037 -0.026 0.000 0.724 39 A CB -0.423 18.575 19.000 -0.004 0.000 0.840 39 A HN 0.303 nan 8.150 nan 0.000 0.463 40 L N -0.868 120.305 121.223 -0.084 0.000 2.261 40 L HA -0.181 3.856 4.340 -0.504 0.000 0.216 40 L C 2.576 179.415 176.870 -0.051 0.000 1.114 40 L CA 1.327 56.122 54.840 -0.075 0.000 0.777 40 L CB -0.025 41.988 42.059 -0.077 0.000 0.910 40 L HN 0.463 nan 8.230 nan 0.000 0.440 41 A N -1.364 121.430 122.820 -0.042 0.000 2.070 41 A HA 0.439 4.457 4.320 -0.504 0.000 0.202 41 A C 0.917 178.483 177.584 -0.031 0.000 1.277 41 A CA 0.500 52.517 52.037 -0.034 0.000 0.872 41 A CB -0.375 18.607 19.000 -0.030 0.000 0.933 41 A HN 0.095 nan 8.150 nan 0.000 0.475 42 L N -0.370 120.834 121.223 -0.031 0.000 2.479 42 L HA 0.712 4.749 4.340 -0.504 0.000 0.248 42 L C 1.060 177.911 176.870 -0.031 0.000 1.205 42 L CA -0.333 54.490 54.840 -0.030 0.000 0.817 42 L CB -1.109 40.933 42.059 -0.028 0.000 1.162 42 L HN 0.567 nan 8.230 nan 0.000 0.486 43 G N -1.521 107.260 108.800 -0.032 0.000 2.606 43 G HA2 0.411 4.068 3.960 -0.504 0.000 0.252 43 G HA3 0.411 4.068 3.960 -0.504 0.000 0.252 43 G C 1.162 176.036 174.900 -0.043 0.000 1.206 43 G CA 0.539 45.617 45.100 -0.037 0.000 0.861 43 G HN 1.713 nan 8.290 nan 0.000 0.561 44 V N 0.127 120.008 119.914 -0.056 0.000 2.307 44 V HA -0.113 3.704 4.120 -0.504 0.000 0.245 44 V C 2.387 178.417 176.094 -0.105 0.000 1.045 44 V CA 2.731 64.985 62.300 -0.078 0.000 1.024 44 V CB -0.566 31.202 31.823 -0.091 0.000 0.651 44 V HN 0.863 nan 8.190 nan 0.000 0.449 45 E N -0.420 119.715 120.200 -0.108 0.000 2.107 45 E HA -0.149 3.898 4.350 -0.504 0.000 0.191 45 E C 2.412 178.966 176.600 -0.078 0.000 0.982 45 E CA 0.975 57.303 56.400 -0.120 0.000 0.809 45 E CB -0.222 29.418 29.700 -0.099 0.000 0.756 45 E HN 0.522 nan 8.360 nan 0.000 0.459 46 R N 0.504 120.972 120.500 -0.054 0.000 2.115 46 R HA -0.060 3.978 4.340 -0.504 0.000 0.230 46 R C 2.293 178.576 176.300 -0.029 0.000 1.111 46 R CA 1.352 57.430 56.100 -0.037 0.000 0.976 46 R CB -0.275 30.005 30.300 -0.032 0.000 0.870 46 R HN 0.169 nan 8.270 nan 0.000 0.445 47 T N 0.638 115.178 114.554 -0.025 0.000 2.674 47 T HA -0.118 3.929 4.350 -0.504 0.000 0.265 47 T C 1.839 176.536 174.700 -0.006 0.000 1.039 47 T CA 1.056 63.160 62.100 0.006 0.000 1.150 47 T CB -0.115 68.778 68.868 0.042 0.000 0.864 47 T HN 0.288 nan 8.240 nan 0.000 0.427 48 R N 1.179 121.653 120.500 -0.042 0.000 2.082 48 R HA -0.119 3.918 4.340 -0.504 0.000 0.234 48 R C 3.098 179.376 176.300 -0.038 0.000 1.136 48 R CA 1.968 58.032 56.100 -0.061 0.000 0.935 48 R CB -0.665 29.562 30.300 -0.123 0.000 0.842 48 R HN 0.542 nan 8.270 nan 0.000 0.430 49 S N 0.444 116.122 115.700 -0.037 0.000 2.338 49 S HA -0.128 4.040 4.470 -0.504 0.000 0.218 49 S C 1.901 176.501 174.600 -0.000 0.000 1.032 49 S CA 0.970 59.159 58.200 -0.018 0.000 0.999 49 S CB -0.223 62.965 63.200 -0.020 0.000 0.905 49 S HN 0.330 nan 8.310 nan 0.000 0.439 50 E N 0.564 120.762 120.200 -0.003 0.000 2.045 50 E HA 0.195 4.242 4.350 -0.504 0.000 0.190 50 E C 2.231 178.843 176.600 0.021 0.000 0.968 50 E CA 0.406 56.812 56.400 0.008 0.000 0.813 50 E CB -0.208 29.484 29.700 -0.013 0.000 0.780 50 E HN 0.340 nan 8.360 nan 0.000 0.455 51 L N 1.159 122.380 121.223 -0.003 0.000 1.976 51 L HA -0.201 3.836 4.340 -0.504 0.000 0.209 51 L C 2.410 179.305 176.870 0.043 0.000 1.071 51 L CA 0.870 55.708 54.840 -0.004 0.000 0.746 51 L CB -0.253 41.806 42.059 0.001 0.000 0.890 51 L HN 0.256 nan 8.230 nan 0.000 0.432 52 L N 0.197 121.426 121.223 0.009 0.000 1.997 52 L HA -0.211 3.826 4.340 -0.504 0.000 0.216 52 L C 0.104 176.985 176.870 0.017 0.000 1.074 52 L CA 2.481 57.312 54.840 -0.015 0.000 0.763 52 L CB -2.761 39.278 42.059 -0.032 0.000 0.890 52 L HN 0.199 nan 8.230 nan 0.000 0.434 53 P HA -0.225 nan 4.420 nan 0.000 0.215 53 P C 1.864 179.207 177.300 0.071 0.000 1.153 53 P CA 1.168 64.295 63.100 0.045 0.000 0.853 53 P CB -0.252 31.479 31.700 0.051 0.000 0.788 54 F N 0.480 120.410 119.950 -0.034 0.000 2.120 54 F HA -0.170 4.054 4.527 -0.505 0.000 0.300 54 F C 1.460 177.231 175.800 -0.049 0.000 1.095 54 F CA 1.521 59.504 58.000 -0.029 0.000 1.249 54 F CB -0.748 38.236 39.000 -0.026 0.000 0.995 54 F HN -0.236 nan 8.300 nan 0.000 0.480 55 L N 0.005 121.304 121.223 0.127 0.000 2.672 55 L HA 0.060 4.097 4.340 -0.504 0.000 0.236 55 L C 1.154 177.952 176.870 -0.120 0.000 1.186 55 L CA 0.375 55.213 54.840 -0.003 0.000 0.977 55 L CB -0.694 41.375 42.059 0.016 0.000 1.203 55 L HN 0.143 nan 8.230 nan 0.000 0.448 56 T N -2.457 112.021 114.554 -0.126 0.000 3.026 56 T HA 0.014 4.062 4.350 -0.504 0.000 0.245 56 T C 0.949 175.571 174.700 -0.131 0.000 1.004 56 T CA 0.287 62.318 62.100 -0.116 0.000 1.069 56 T CB 0.217 69.049 68.868 -0.059 0.000 1.005 56 T HN 0.425 nan 8.240 nan 0.000 0.472 57 D N 0.601 120.928 120.400 -0.121 0.000 2.720 57 D HA 0.184 4.522 4.640 -0.504 0.000 0.285 57 D C 0.203 176.521 176.300 0.030 0.000 1.359 57 D CA -0.047 53.966 54.000 0.021 0.000 0.818 57 D CB 0.516 41.342 40.800 0.043 0.000 1.108 57 D HN 0.114 nan 8.370 nan 0.000 0.474 58 T N -0.120 114.305 114.554 -0.215 0.000 2.980 58 T HA 0.203 4.251 4.350 -0.504 0.000 0.252 58 T C 0.539 175.112 174.700 -0.212 0.000 0.962 58 T CA 0.084 62.034 62.100 -0.250 0.000 0.932 58 T CB 0.791 69.200 68.868 -0.765 0.000 1.188 58 T HN -0.001 nan 8.240 nan 0.000 0.500 59 I N 2.904 123.199 120.570 -0.459 0.000 2.282 59 I HA 0.248 4.115 4.170 -0.504 0.000 0.290 59 I C -1.158 174.568 176.117 -0.652 0.000 1.090 59 I CA -0.323 60.746 61.300 -0.384 0.000 1.231 59 I CB -0.071 37.780 38.000 -0.248 0.000 1.434 59 I HN 0.211 nan 8.210 nan 0.000 0.487 60 Y N 3.646 123.914 120.300 -0.055 0.000 2.495 60 Y HA 0.362 4.610 4.550 -0.504 0.000 0.362 60 Y C 0.378 176.258 175.900 -0.034 0.000 0.956 60 Y CA -0.711 57.361 58.100 -0.045 0.000 1.127 60 Y CB 0.237 38.667 38.460 -0.049 0.000 1.173 60 Y HN 0.456 nan 8.280 nan 0.000 0.639 61 D N 1.057 121.476 120.400 0.033 0.000 2.560 61 D HA 0.141 4.479 4.640 -0.504 0.000 0.277 61 D C 0.021 176.332 176.300 0.018 0.000 1.194 61 D CA -0.278 53.737 54.000 0.026 0.000 1.092 61 D CB 1.027 41.829 40.800 0.004 0.000 1.169 61 D HN 0.537 nan 8.370 nan 0.000 0.607 62 E N -0.233 119.973 120.200 0.011 0.000 2.280 62 E HA 0.096 4.144 4.350 -0.504 0.000 0.261 62 E C 0.440 177.040 176.600 -0.000 0.000 1.088 62 E CA -0.527 55.877 56.400 0.007 0.000 0.915 62 E CB 0.800 30.505 29.700 0.009 0.000 1.141 62 E HN 0.284 nan 8.360 nan 0.000 0.433 63 D N 0.603 121.003 120.400 -0.000 0.000 2.263 63 D HA -0.231 4.107 4.640 -0.504 0.000 0.208 63 D C 1.231 177.531 176.300 -0.000 0.000 0.971 63 D CA 0.817 54.815 54.000 -0.003 0.000 0.867 63 D CB -0.133 40.667 40.800 -0.000 0.000 0.929 63 D HN 0.467 nan 8.370 nan 0.000 0.492 64 E N 0.706 120.908 120.200 0.003 0.000 2.017 64 E HA -0.102 3.945 4.350 -0.504 0.000 0.193 64 E C 2.368 178.970 176.600 0.005 0.000 0.997 64 E CA 0.702 57.106 56.400 0.006 0.000 0.804 64 E CB -0.030 29.675 29.700 0.008 0.000 0.757 64 E HN 0.202 nan 8.360 nan 0.000 0.448 65 V N 1.551 121.467 119.914 0.003 0.000 2.358 65 V HA -0.230 3.587 4.120 -0.504 0.000 0.246 65 V C 2.600 178.689 176.094 -0.008 0.000 1.047 65 V CA 1.263 63.564 62.300 0.002 0.000 1.035 65 V CB -0.459 31.366 31.823 0.003 0.000 0.658 65 V HN 0.231 nan 8.190 nan 0.000 0.452 66 L N -0.977 120.235 121.223 -0.018 0.000 2.201 66 L HA -0.138 3.899 4.340 -0.504 0.000 0.212 66 L C 2.387 179.242 176.870 -0.024 0.000 1.105 66 L CA 0.778 55.598 54.840 -0.034 0.000 0.775 66 L CB -0.453 41.580 42.059 -0.044 0.000 0.913 66 L HN 0.312 nan 8.230 nan 0.000 0.440 67 L N 0.081 121.298 121.223 -0.010 0.000 2.093 67 L HA -0.115 3.922 4.340 -0.504 0.000 0.208 67 L C 2.702 179.575 176.870 0.005 0.000 1.085 67 L CA 1.884 56.722 54.840 -0.002 0.000 0.755 67 L CB -0.846 41.215 42.059 0.004 0.000 0.904 67 L HN 0.155 nan 8.230 nan 0.000 0.435 68 A N -1.112 121.713 122.820 0.008 0.000 1.933 68 A HA -0.204 3.814 4.320 -0.504 0.000 0.218 68 A C 2.194 179.790 177.584 0.020 0.000 1.175 68 A CA 1.803 53.851 52.037 0.019 0.000 0.628 68 A CB -0.803 18.210 19.000 0.022 0.000 0.814 68 A HN 0.375 nan 8.150 nan 0.000 0.444 69 L N -0.234 120.987 121.223 -0.002 0.000 2.005 69 L HA -0.024 4.014 4.340 -0.504 0.000 0.207 69 L C 2.738 179.588 176.870 -0.034 0.000 1.072 69 L CA 2.116 56.940 54.840 -0.027 0.000 0.744 69 L CB -1.276 40.751 42.059 -0.055 0.000 0.895 69 L HN 0.373 nan 8.230 nan 0.000 0.433 70 A N 0.176 122.980 122.820 -0.027 0.000 1.859 70 A HA -0.336 3.682 4.320 -0.504 0.000 0.218 70 A C 2.198 179.790 177.584 0.013 0.000 1.209 70 A CA 2.434 54.461 52.037 -0.016 0.000 0.639 70 A CB -1.110 17.884 19.000 -0.009 0.000 0.835 70 A HN 0.717 nan 8.150 nan 0.000 0.450 71 E N -0.790 119.426 120.200 0.028 0.000 2.204 71 E HA -0.264 3.783 4.350 -0.504 0.000 0.194 71 E C 1.978 178.626 176.600 0.081 0.000 0.989 71 E CA 1.368 57.796 56.400 0.047 0.000 0.824 71 E CB -0.264 29.459 29.700 0.039 0.000 0.756 71 E HN 0.670 nan 8.360 nan 0.000 0.477 72 Q N 0.993 120.851 119.800 0.096 0.000 2.050 72 Q HA -0.075 3.962 4.340 -0.504 0.000 0.202 72 Q C 2.152 178.338 176.000 0.310 0.000 0.980 72 Q CA 1.766 57.690 55.803 0.201 0.000 0.840 72 Q CB -0.125 28.730 28.738 0.194 0.000 0.898 72 Q HN 0.450 nan 8.270 nan 0.000 0.424 73 L N -0.634 120.651 121.223 0.103 0.000 2.376 73 L HA 0.018 4.055 4.340 -0.504 0.000 0.219 73 L C 2.002 178.952 176.870 0.134 0.000 1.133 73 L CA 0.615 55.480 54.840 0.041 0.000 0.816 73 L CB -0.492 41.489 42.059 -0.128 0.000 0.933 73 L HN 0.369 nan 8.230 nan 0.000 0.449 74 G N -1.478 107.391 108.800 0.115 0.000 2.776 74 G HA2 -0.166 3.491 3.960 -0.504 0.000 0.209 74 G HA3 -0.166 3.491 3.960 -0.504 0.000 0.209 74 G C 1.250 176.212 174.900 0.103 0.000 1.145 74 G CA 1.103 46.261 45.100 0.096 0.000 0.791 74 G HN 0.309 nan 8.290 nan 0.000 0.530 75 T N -1.726 112.920 114.554 0.154 0.000 3.262 75 T HA 0.235 4.282 4.350 -0.504 0.000 0.300 75 T C 0.836 175.588 174.700 0.087 0.000 0.959 75 T CA -0.554 61.602 62.100 0.095 0.000 0.936 75 T CB -0.316 68.580 68.868 0.047 0.000 1.169 75 T HN 0.095 nan 8.240 nan 0.000 0.532 76 F N 1.688 121.636 119.950 -0.003 0.000 2.802 76 F HA 0.100 4.324 4.527 -0.505 0.000 0.300 76 F C 2.280 178.076 175.800 -0.007 0.000 1.168 76 F CA 0.591 58.587 58.000 -0.007 0.000 1.433 76 F CB 0.125 39.121 39.000 -0.007 0.000 1.115 76 F HN 0.238 nan 8.300 nan 0.000 0.582 77 T N -1.751 112.868 114.554 0.108 0.000 2.622 77 T HA -0.285 3.763 4.350 -0.504 0.000 0.266 77 T C 2.008 176.732 174.700 0.040 0.000 1.047 77 T CA 2.007 64.146 62.100 0.066 0.000 1.159 77 T CB -0.689 68.199 68.868 0.033 0.000 0.863 77 T HN 0.161 nan 8.240 nan 0.000 0.422 78 T N 0.545 115.098 114.554 -0.001 0.000 3.308 78 T HA 0.147 4.194 4.350 -0.504 0.000 0.255 78 T C 1.008 175.681 174.700 -0.044 0.000 1.162 78 T CA 0.340 62.430 62.100 -0.016 0.000 1.031 78 T CB -0.460 68.390 68.868 -0.030 0.000 0.973 78 T HN 0.105 nan 8.240 nan 0.000 0.544 79 L N -0.920 120.272 121.223 -0.051 0.000 2.948 79 L HA 0.443 4.480 4.340 -0.504 0.000 0.259 79 L C 1.796 178.665 176.870 -0.002 0.000 1.136 79 L CA 0.213 55.003 54.840 -0.084 0.000 0.959 79 L CB 0.587 42.484 42.059 -0.271 0.000 1.370 79 L HN 0.123 nan 8.230 nan 0.000 0.552 80 V N -0.672 119.271 119.914 0.049 0.000 3.650 80 V HA 0.398 4.216 4.120 -0.504 0.000 0.271 80 V C 1.332 177.422 176.094 -0.008 0.000 1.281 80 V CA 1.178 63.499 62.300 0.034 0.000 1.120 80 V CB 0.481 32.349 31.823 0.075 0.000 0.856 80 V HN 0.576 nan 8.190 nan 0.000 0.443 81 G N -1.486 107.354 108.800 0.067 0.000 2.234 81 G HA2 0.270 3.928 3.960 -0.504 0.000 0.153 81 G HA3 0.270 3.928 3.960 -0.504 0.000 0.153 81 G C 0.863 175.932 174.900 0.282 0.000 1.013 81 G CA 0.097 45.292 45.100 0.158 0.000 0.712 81 G HN 1.687 nan 8.290 nan 0.000 0.491 82 G N -0.481 108.421 108.800 0.170 0.000 2.548 82 G HA2 0.158 3.815 3.960 -0.504 0.000 0.208 82 G HA3 0.158 3.815 3.960 -0.504 0.000 0.208 82 G C -1.056 173.897 174.900 0.089 0.000 1.308 82 G CA 0.342 45.505 45.100 0.105 0.000 0.924 82 G HN 0.484 nan 8.290 nan 0.000 0.540 83 P HA 0.018 nan 4.420 nan 0.000 0.215 83 P C 1.519 178.818 177.300 -0.002 0.000 1.157 83 P CA 1.950 65.059 63.100 0.016 0.000 0.868 83 P CB -0.139 31.565 31.700 0.006 0.000 0.788 84 E N -1.922 118.203 120.200 -0.124 0.000 2.301 84 E HA -0.202 3.845 4.350 -0.504 0.000 0.202 84 E C 0.661 176.991 176.600 -0.451 0.000 1.017 84 E CA 1.353 57.528 56.400 -0.375 0.000 0.831 84 E CB -0.698 28.572 29.700 -0.718 0.000 0.742 84 E HN 0.553 nan 8.360 nan 0.000 0.491 85 Y N -2.713 117.617 120.300 0.050 0.000 2.610 85 Y HA 0.232 4.479 4.550 -0.505 0.000 0.254 85 Y C 1.454 177.207 175.900 -0.244 0.000 1.110 85 Y CA -0.338 57.673 58.100 -0.149 0.000 1.238 85 Y CB 0.246 38.618 38.460 -0.146 0.000 1.322 85 Y HN -0.113 nan 8.280 nan 0.000 0.547 86 V N 1.639 121.599 119.914 0.078 0.000 2.764 86 V HA -0.345 3.472 4.120 -0.504 0.000 0.261 86 V C 2.132 178.281 176.094 0.091 0.000 1.108 86 V CA 2.840 65.164 62.300 0.040 0.000 1.129 86 V CB -0.504 31.287 31.823 -0.054 0.000 0.701 86 V HN 0.778 nan 8.190 nan 0.000 0.495 87 H N -2.827 116.367 119.070 0.207 0.000 2.545 87 H HA -0.050 4.203 4.556 -0.504 0.000 0.282 87 H C 1.977 177.312 175.328 0.010 0.000 1.020 87 H CA 1.400 57.542 56.048 0.158 0.000 1.243 87 H CB -1.224 28.405 29.762 -0.222 0.000 1.377 87 H HN 0.482 nan 8.280 nan 0.000 0.581 88 C N 0.552 119.682 119.300 -0.283 0.000 2.449 88 C HA 0.071 4.229 4.460 -0.504 0.000 0.283 88 C C 2.176 177.137 174.990 -0.048 0.000 1.453 88 C CA 0.344 59.270 59.018 -0.152 0.000 1.779 88 C CB -1.197 26.441 27.740 -0.171 0.000 1.779 88 C HN 0.623 nan 8.230 nan 0.000 0.546 89 L N -0.501 120.720 121.223 -0.004 0.000 2.558 89 L HA 0.051 4.088 4.340 -0.504 0.000 0.225 89 L C 2.092 178.973 176.870 0.018 0.000 1.128 89 L CA 0.190 55.031 54.840 0.002 0.000 0.868 89 L CB -0.264 41.814 42.059 0.031 0.000 1.006 89 L HN 0.245 nan 8.230 nan 0.000 0.454 90 L N 0.183 121.437 121.223 0.051 0.000 2.005 90 L HA -0.065 3.972 4.340 -0.504 0.000 0.207 90 L C -0.242 176.620 176.870 -0.013 0.000 1.072 90 L CA 1.954 56.818 54.840 0.040 0.000 0.744 90 L CB -1.675 40.422 42.059 0.064 0.000 0.895 90 L HN 0.103 nan 8.230 nan 0.000 0.433 91 P HA -0.177 nan 4.420 nan 0.000 0.217 91 P C -1.422 175.849 177.300 -0.048 0.000 1.158 91 P CA 2.050 65.132 63.100 -0.031 0.000 0.887 91 P CB -1.145 30.541 31.700 -0.024 0.000 0.792 92 P HA -0.034 nan 4.420 nan 0.000 0.215 92 P C 1.731 178.985 177.300 -0.078 0.000 1.157 92 P CA 1.031 64.081 63.100 -0.083 0.000 0.856 92 P CB -0.503 31.131 31.700 -0.110 0.000 0.786 93 L N -0.124 121.061 121.223 -0.063 0.000 2.043 93 L HA -0.212 3.825 4.340 -0.504 0.000 0.212 93 L C 2.676 179.512 176.870 -0.056 0.000 1.075 93 L CA 1.671 56.482 54.840 -0.049 0.000 0.752 93 L CB -0.873 41.176 42.059 -0.017 0.000 0.891 93 L HN 0.062 nan 8.230 nan 0.000 0.432 94 E N -0.476 119.685 120.200 -0.065 0.000 2.051 94 E HA -0.248 3.800 4.350 -0.504 0.000 0.192 94 E C 2.354 178.916 176.600 -0.062 0.000 0.991 94 E CA 1.506 57.857 56.400 -0.082 0.000 0.799 94 E CB 0.043 29.687 29.700 -0.095 0.000 0.748 94 E HN 0.310 nan 8.360 nan 0.000 0.449 95 S N 0.101 115.769 115.700 -0.054 0.000 2.359 95 S HA -0.156 4.011 4.470 -0.504 0.000 0.224 95 S C 2.031 176.609 174.600 -0.037 0.000 1.035 95 S CA 1.103 59.282 58.200 -0.035 0.000 1.018 95 S CB -0.224 62.941 63.200 -0.058 0.000 0.876 95 S HN 0.220 nan 8.310 nan 0.000 0.448 96 L N 1.294 122.478 121.223 -0.065 0.000 1.989 96 L HA -0.087 3.951 4.340 -0.504 0.000 0.211 96 L C 2.562 179.405 176.870 -0.045 0.000 1.071 96 L CA 1.322 56.123 54.840 -0.064 0.000 0.749 96 L CB -0.678 41.340 42.059 -0.067 0.000 0.890 96 L HN 0.352 nan 8.230 nan 0.000 0.431 97 A N -0.981 121.811 122.820 -0.046 0.000 2.310 97 A HA -0.126 3.892 4.320 -0.504 0.000 0.206 97 A C 1.580 179.138 177.584 -0.043 0.000 1.253 97 A CA 1.816 53.823 52.037 -0.050 0.000 0.768 97 A CB -0.835 18.124 19.000 -0.067 0.000 0.755 97 A HN 0.533 nan 8.150 nan 0.000 0.505 98 T N -1.400 113.147 114.554 -0.012 0.000 3.087 98 T HA 0.274 4.321 4.350 -0.504 0.000 0.283 98 T C 0.473 175.175 174.700 0.004 0.000 0.956 98 T CA 0.295 62.423 62.100 0.047 0.000 0.894 98 T CB -0.232 68.748 68.868 0.186 0.000 1.160 98 T HN 0.503 nan 8.240 nan 0.000 0.532 99 V N 0.716 120.608 119.914 -0.037 0.000 2.924 99 V HA 0.340 4.157 4.120 -0.504 0.000 0.305 99 V C 1.269 177.296 176.094 -0.112 0.000 1.073 99 V CA -0.239 62.024 62.300 -0.063 0.000 1.098 99 V CB 0.873 32.669 31.823 -0.045 0.000 1.000 99 V HN 0.239 nan 8.190 nan 0.000 0.484 100 E N 0.620 120.751 120.200 -0.115 0.000 2.110 100 E HA -0.142 3.905 4.350 -0.504 0.000 0.193 100 E C 0.708 177.278 176.600 -0.051 0.000 0.988 100 E CA 1.288 57.624 56.400 -0.106 0.000 0.804 100 E CB 0.114 29.773 29.700 -0.070 0.000 0.745 100 E HN 0.887 nan 8.360 nan 0.000 0.458 101 E N 0.926 121.105 120.200 -0.035 0.000 2.265 101 E HA -0.037 4.011 4.350 -0.504 0.000 0.272 101 E C 0.446 177.038 176.600 -0.013 0.000 1.067 101 E CA 0.240 56.633 56.400 -0.012 0.000 0.900 101 E CB 1.052 30.747 29.700 -0.008 0.000 1.017 101 E HN -0.123 nan 8.360 nan 0.000 0.431 102 T N 2.822 117.380 114.554 0.007 0.000 3.113 102 T HA -0.004 4.043 4.350 -0.504 0.000 0.263 102 T C 1.127 175.833 174.700 0.011 0.000 1.143 102 T CA 1.048 63.155 62.100 0.013 0.000 1.090 102 T CB 0.043 68.936 68.868 0.042 0.000 0.922 102 T HN 0.304 nan 8.240 nan 0.000 0.521 103 V N 0.222 120.140 119.914 0.008 0.000 2.825 103 V HA 0.048 3.865 4.120 -0.504 0.000 0.246 103 V C 2.526 178.622 176.094 0.002 0.000 1.068 103 V CA 0.755 63.061 62.300 0.009 0.000 1.088 103 V CB 0.157 31.986 31.823 0.010 0.000 0.733 103 V HN 0.356 nan 8.190 nan 0.000 0.468 104 V N -0.138 119.772 119.914 -0.007 0.000 2.407 104 V HA -0.111 3.706 4.120 -0.504 0.000 0.245 104 V C 2.554 178.637 176.094 -0.018 0.000 1.041 104 V CA 1.511 63.802 62.300 -0.014 0.000 1.040 104 V CB -0.709 31.100 31.823 -0.024 0.000 0.671 104 V HN 0.399 nan 8.190 nan 0.000 0.455 105 R N 0.331 120.816 120.500 -0.024 0.000 2.096 105 R HA -0.211 3.826 4.340 -0.504 0.000 0.240 105 R C 2.082 178.375 176.300 -0.013 0.000 1.139 105 R CA 2.075 58.158 56.100 -0.029 0.000 0.952 105 R CB -0.532 29.742 30.300 -0.044 0.000 0.854 105 R HN 0.517 nan 8.270 nan 0.000 0.436 106 D N 0.322 120.721 120.400 -0.001 0.000 2.123 106 D HA -0.155 4.183 4.640 -0.504 0.000 0.196 106 D C 1.841 178.152 176.300 0.018 0.000 0.992 106 D CA 1.107 55.115 54.000 0.014 0.000 0.833 106 D CB -0.078 40.734 40.800 0.020 0.000 0.954 106 D HN -0.011 nan 8.370 nan 0.000 0.455 107 K N 0.540 120.947 120.400 0.013 0.000 2.026 107 K HA 0.004 4.022 4.320 -0.504 0.000 0.208 107 K C 2.047 178.658 176.600 0.017 0.000 1.048 107 K CA 0.984 57.281 56.287 0.017 0.000 0.929 107 K CB -0.551 31.956 32.500 0.011 0.000 0.713 107 K HN 0.089 nan 8.250 nan 0.000 0.439 108 A N 1.048 123.870 122.820 0.003 0.000 1.873 108 A HA -0.184 3.834 4.320 -0.504 0.000 0.218 108 A C 2.490 180.084 177.584 0.016 0.000 1.193 108 A CA 2.251 54.287 52.037 -0.002 0.000 0.629 108 A CB -0.948 18.039 19.000 -0.022 0.000 0.826 108 A HN 0.087 nan 8.150 nan 0.000 0.447 109 V N 0.074 119.997 119.914 0.015 0.000 2.255 109 V HA -0.315 3.502 4.120 -0.504 0.000 0.247 109 V C 2.552 178.686 176.094 0.066 0.000 1.051 109 V CA 2.411 64.732 62.300 0.034 0.000 1.018 109 V CB -0.851 30.987 31.823 0.025 0.000 0.641 109 V HN 0.758 nan 8.190 nan 0.000 0.445 110 E N -0.309 119.926 120.200 0.057 0.000 2.171 110 E HA -0.235 3.812 4.350 -0.504 0.000 0.197 110 E C 2.352 178.999 176.600 0.078 0.000 0.997 110 E CA 1.611 58.052 56.400 0.067 0.000 0.810 110 E CB -0.052 29.679 29.700 0.051 0.000 0.738 110 E HN 0.580 nan 8.360 nan 0.000 0.467 111 S N -0.010 115.732 115.700 0.070 0.000 2.362 111 S HA -0.019 4.148 4.470 -0.504 0.000 0.221 111 S C 1.918 176.583 174.600 0.109 0.000 1.032 111 S CA 0.401 58.646 58.200 0.075 0.000 0.973 111 S CB -0.044 63.189 63.200 0.055 0.000 0.849 111 S HN 0.214 nan 8.310 nan 0.000 0.465 112 L N 1.112 122.413 121.223 0.129 0.000 1.990 112 L HA -0.182 3.855 4.340 -0.504 0.000 0.213 112 L C 2.694 179.737 176.870 0.289 0.000 1.072 112 L CA 1.496 56.476 54.840 0.233 0.000 0.755 112 L CB -0.517 41.663 42.059 0.202 0.000 0.889 112 L HN 0.217 nan 8.230 nan 0.000 0.432 113 R N -0.308 120.332 120.500 0.233 0.000 2.136 113 R HA -0.274 3.763 4.340 -0.504 0.000 0.242 113 R C 2.388 178.825 176.300 0.228 0.000 1.131 113 R CA 1.841 58.065 56.100 0.206 0.000 0.937 113 R CB -0.754 29.655 30.300 0.182 0.000 0.863 113 R HN 0.453 nan 8.270 nan 0.000 0.435 114 A N 1.496 124.420 122.820 0.174 0.000 1.869 114 A HA -0.222 3.795 4.320 -0.504 0.000 0.218 114 A C 2.198 179.882 177.584 0.167 0.000 1.203 114 A CA 2.174 54.296 52.037 0.141 0.000 0.638 114 A CB -0.856 18.190 19.000 0.077 0.000 0.831 114 A HN 0.552 nan 8.150 nan 0.000 0.450 115 I N -1.346 119.284 120.570 0.100 0.000 3.291 115 I HA -0.022 3.845 4.170 -0.504 0.000 0.279 115 I C 2.020 178.052 176.117 -0.142 0.000 1.294 115 I CA 1.409 62.711 61.300 0.003 0.000 1.428 115 I CB -0.290 37.711 38.000 0.001 0.000 1.070 115 I HN 0.294 nan 8.210 nan 0.000 0.478 116 S N 0.770 116.382 115.700 -0.147 0.000 2.447 116 S HA -0.218 3.949 4.470 -0.504 0.000 0.233 116 S C 1.663 176.018 174.600 -0.407 0.000 1.006 116 S CA 1.203 59.108 58.200 -0.493 0.000 0.957 116 S CB -0.978 61.575 63.200 -1.078 0.000 0.773 116 S HN 0.673 nan 8.310 nan 0.000 0.507 117 H N 1.295 120.261 119.070 -0.172 0.000 2.546 117 H HA 0.229 4.482 4.556 -0.504 0.000 0.277 117 H C 1.842 177.119 175.328 -0.084 0.000 1.004 117 H CA 1.305 57.291 56.048 -0.102 0.000 1.231 117 H CB 0.001 29.724 29.762 -0.065 0.000 1.382 117 H HN 0.660 nan 8.280 nan 0.000 0.580 118 E N -0.305 119.868 120.200 -0.046 0.000 2.415 118 E HA -0.003 4.044 4.350 -0.504 0.000 0.197 118 E C -0.098 176.474 176.600 -0.047 0.000 1.007 118 E CA -0.123 56.245 56.400 -0.052 0.000 0.890 118 E CB 0.424 30.079 29.700 -0.074 0.000 0.891 118 E HN 0.499 nan 8.360 nan 0.000 0.496 119 H N 2.208 121.277 119.070 -0.002 0.000 3.004 119 H HA 0.021 4.274 4.556 -0.504 0.000 0.316 119 H C 0.641 175.963 175.328 -0.010 0.000 1.014 119 H CA -0.146 55.909 56.048 0.012 0.000 1.454 119 H CB 0.407 30.159 29.762 -0.018 0.000 1.472 119 H HN 0.073 nan 8.280 nan 0.000 0.571 120 S N 4.006 119.790 115.700 0.140 0.000 2.573 120 S HA 0.024 4.191 4.470 -0.504 0.000 0.277 120 S C -1.543 173.080 174.600 0.039 0.000 1.346 120 S CA -1.174 57.064 58.200 0.063 0.000 1.034 120 S CB 1.032 64.259 63.200 0.044 0.000 0.879 120 S HN 0.336 nan 8.310 nan 0.000 0.528 121 P HA -0.181 nan 4.420 nan 0.000 0.217 121 P C 1.846 179.131 177.300 -0.025 0.000 1.151 121 P CA 1.692 64.786 63.100 -0.011 0.000 0.849 121 P CB -0.114 31.577 31.700 -0.015 0.000 0.787 122 S N -0.692 114.992 115.700 -0.027 0.000 2.335 122 S HA -0.197 3.970 4.470 -0.504 0.000 0.216 122 S C 1.885 176.433 174.600 -0.086 0.000 1.032 122 S CA 1.754 59.922 58.200 -0.053 0.000 1.000 122 S CB -1.409 61.762 63.200 -0.048 0.000 0.928 122 S HN -0.015 nan 8.310 nan 0.000 0.434 123 D N 1.229 121.598 120.400 -0.051 0.000 2.172 123 D HA -0.114 4.223 4.640 -0.504 0.000 0.196 123 D C 1.918 178.132 176.300 -0.144 0.000 0.999 123 D CA 0.938 54.910 54.000 -0.047 0.000 0.856 123 D CB -0.547 40.342 40.800 0.149 0.000 0.934 123 D HN 0.375 nan 8.370 nan 0.000 0.453 124 L N 0.759 121.930 121.223 -0.087 0.000 2.042 124 L HA -0.203 3.834 4.340 -0.504 0.000 0.210 124 L C 2.194 179.036 176.870 -0.047 0.000 1.076 124 L CA 1.481 56.271 54.840 -0.084 0.000 0.749 124 L CB -0.086 41.949 42.059 -0.041 0.000 0.893 124 L HN 0.104 nan 8.230 nan 0.000 0.432 125 E N -0.451 119.704 120.200 -0.074 0.000 2.086 125 E HA -0.115 3.932 4.350 -0.504 0.000 0.190 125 E C 2.142 178.661 176.600 -0.135 0.000 0.975 125 E CA 0.964 57.322 56.400 -0.069 0.000 0.813 125 E CB -0.097 29.564 29.700 -0.065 0.000 0.768 125 E HN 0.524 nan 8.360 nan 0.000 0.457 126 A N 2.136 124.803 122.820 -0.254 0.000 1.865 126 A HA -0.208 3.809 4.320 -0.504 0.000 0.217 126 A C 1.878 179.182 177.584 -0.467 0.000 1.191 126 A CA 1.674 53.433 52.037 -0.462 0.000 0.623 126 A CB -0.483 18.045 19.000 -0.786 0.000 0.826 126 A HN 0.242 nan 8.150 nan 0.000 0.444 127 H N -3.969 115.012 119.070 -0.148 0.000 2.373 127 H HA 0.177 4.430 4.556 -0.504 0.000 0.290 127 H C 1.937 177.204 175.328 -0.103 0.000 0.989 127 H CA 0.713 56.678 56.048 -0.139 0.000 1.250 127 H CB -0.698 28.957 29.762 -0.178 0.000 1.477 127 H HN 0.476 nan 8.280 nan 0.000 0.551 128 F N 2.111 121.969 119.950 -0.154 0.000 2.075 128 F HA -0.188 4.036 4.527 -0.505 0.000 0.297 128 F C 2.380 178.134 175.800 -0.078 0.000 1.113 128 F CA 1.132 59.065 58.000 -0.112 0.000 1.218 128 F CB -0.362 38.564 39.000 -0.123 0.000 0.984 128 F HN -0.188 nan 8.300 nan 0.000 0.472 129 V N 1.110 121.091 119.914 0.113 0.000 2.287 129 V HA -0.262 3.555 4.120 -0.504 0.000 0.248 129 V C -0.479 175.573 176.094 -0.069 0.000 1.053 129 V CA 2.348 64.675 62.300 0.045 0.000 1.027 129 V CB -2.004 29.870 31.823 0.084 0.000 0.646 129 V HN 0.233 nan 8.190 nan 0.000 0.447 130 P HA -0.166 nan 4.420 nan 0.000 0.218 130 P C 1.931 179.139 177.300 -0.154 0.000 1.148 130 P CA 1.321 64.370 63.100 -0.085 0.000 0.822 130 P CB -0.029 31.636 31.700 -0.059 0.000 0.784 131 L N -0.830 120.266 121.223 -0.212 0.000 1.994 131 L HA -0.159 3.878 4.340 -0.504 0.000 0.208 131 L C 2.100 178.757 176.870 -0.355 0.000 1.071 131 L CA 1.664 56.331 54.840 -0.288 0.000 0.745 131 L CB -0.912 40.914 42.059 -0.389 0.000 0.892 131 L HN -0.195 nan 8.230 nan 0.000 0.431 132 V N 0.336 119.988 119.914 -0.437 0.000 2.231 132 V HA -0.394 3.423 4.120 -0.504 0.000 0.250 132 V C 2.607 178.438 176.094 -0.438 0.000 1.058 132 V CA 2.504 64.523 62.300 -0.467 0.000 1.022 132 V CB -0.798 30.753 31.823 -0.452 0.000 0.640 132 V HN 0.472 nan 8.190 nan 0.000 0.445 133 K N -0.640 119.526 120.400 -0.389 0.000 2.103 133 K HA -0.202 3.815 4.320 -0.504 0.000 0.207 133 K C 2.436 178.817 176.600 -0.365 0.000 1.048 133 K CA 1.454 57.424 56.287 -0.528 0.000 0.930 133 K CB -0.272 32.071 32.500 -0.261 0.000 0.716 133 K HN 0.314 nan 8.250 nan 0.000 0.444 134 R N 0.876 121.225 120.500 -0.252 0.000 2.081 134 R HA -0.095 3.942 4.340 -0.504 0.000 0.235 134 R C 2.296 178.466 176.300 -0.218 0.000 1.131 134 R CA 1.250 57.231 56.100 -0.199 0.000 0.960 134 R CB -0.183 30.012 30.300 -0.175 0.000 0.856 134 R HN 0.156 nan 8.270 nan 0.000 0.436 135 L N -0.585 120.488 121.223 -0.249 0.000 2.044 135 L HA -0.057 3.980 4.340 -0.504 0.000 0.205 135 L C 2.634 179.380 176.870 -0.206 0.000 1.075 135 L CA 1.103 55.809 54.840 -0.223 0.000 0.747 135 L CB -0.482 41.434 42.059 -0.239 0.000 0.903 135 L HN 0.227 nan 8.230 nan 0.000 0.435 136 A N 0.130 122.787 122.820 -0.271 0.000 1.972 136 A HA -0.118 3.899 4.320 -0.504 0.000 0.219 136 A C 2.228 179.736 177.584 -0.126 0.000 1.169 136 A CA 1.810 53.726 52.037 -0.202 0.000 0.635 136 A CB -0.978 17.857 19.000 -0.275 0.000 0.810 136 A HN 0.462 nan 8.150 nan 0.000 0.446 137 G N -0.828 107.874 108.800 -0.164 0.000 2.939 137 G HA2 0.386 4.043 3.960 -0.504 0.000 0.210 137 G HA3 0.386 4.043 3.960 -0.504 0.000 0.210 137 G C 0.831 175.695 174.900 -0.060 0.000 1.160 137 G CA 0.518 45.594 45.100 -0.040 0.000 0.770 137 G HN 0.755 nan 8.290 nan 0.000 0.543 138 G N -0.156 108.575 108.800 -0.115 0.000 2.630 138 G HA2 0.134 3.791 3.960 -0.504 0.000 0.236 138 G HA3 0.134 3.791 3.960 -0.504 0.000 0.236 138 G C 0.448 175.274 174.900 -0.123 0.000 1.248 138 G CA -0.169 44.831 45.100 -0.167 0.000 0.844 138 G HN 0.093 nan 8.290 nan 0.000 0.588 139 D N -0.382 119.886 120.400 -0.220 0.000 2.183 139 D HA -0.029 4.308 4.640 -0.504 0.000 0.203 139 D C 0.112 176.485 176.300 0.121 0.000 0.969 139 D CA 0.760 54.701 54.000 -0.097 0.000 0.842 139 D CB 0.202 40.896 40.800 -0.178 0.000 0.957 139 D HN 0.301 nan 8.370 nan 0.000 0.484 140 W N 1.256 122.559 121.300 0.005 0.000 2.351 140 W HA 0.133 4.490 4.660 -0.504 0.000 0.311 140 W C 1.084 177.599 176.519 -0.007 0.000 1.168 140 W CA -1.404 55.947 57.345 0.010 0.000 1.200 140 W CB -0.401 29.017 29.460 -0.069 0.000 1.221 140 W HN -0.117 nan 8.180 nan 0.000 0.519 141 F N 0.493 120.560 119.950 0.196 0.000 2.333 141 F HA -0.211 4.013 4.527 -0.505 0.000 0.300 141 F C 1.802 177.651 175.800 0.081 0.000 1.083 141 F CA 1.789 59.847 58.000 0.096 0.000 1.395 141 F CB -1.195 37.838 39.000 0.056 0.000 1.056 141 F HN 0.209 nan 8.300 nan 0.000 0.529 142 T N -3.262 110.736 114.554 -0.927 0.000 2.904 142 T HA -0.069 3.978 4.350 -0.504 0.000 0.267 142 T C 2.018 176.572 174.700 -0.243 0.000 1.059 142 T CA 1.161 62.816 62.100 -0.742 0.000 1.137 142 T CB -0.724 67.754 68.868 -0.650 0.000 0.879 142 T HN 0.335 nan 8.240 nan 0.000 0.467 143 S N 0.764 116.407 115.700 -0.096 0.000 2.414 143 S HA 0.108 4.275 4.470 -0.504 0.000 0.227 143 S C 2.271 176.827 174.600 -0.073 0.000 1.022 143 S CA 0.310 58.475 58.200 -0.059 0.000 0.958 143 S CB -0.179 62.996 63.200 -0.042 0.000 0.797 143 S HN 0.462 nan 8.310 nan 0.000 0.493 144 R N 0.620 121.100 120.500 -0.033 0.000 2.119 144 R HA -0.042 3.996 4.340 -0.504 0.000 0.222 144 R C 2.549 178.840 176.300 -0.015 0.000 1.088 144 R CA 1.673 57.764 56.100 -0.015 0.000 0.984 144 R CB -0.644 29.681 30.300 0.040 0.000 0.884 144 R HN 0.561 nan 8.270 nan 0.000 0.447 145 T N -1.695 112.857 114.554 -0.003 0.000 2.777 145 T HA -0.039 4.008 4.350 -0.504 0.000 0.266 145 T C 2.108 176.794 174.700 -0.023 0.000 1.040 145 T CA 1.345 63.449 62.100 0.007 0.000 1.141 145 T CB -0.263 68.632 68.868 0.044 0.000 0.868 145 T HN -0.028 nan 8.240 nan 0.000 0.444 146 S N 1.731 117.398 115.700 -0.055 0.000 2.402 146 S HA -0.008 4.159 4.470 -0.504 0.000 0.233 146 S C 2.535 177.076 174.600 -0.098 0.000 1.030 146 S CA 1.065 59.226 58.200 -0.066 0.000 1.003 146 S CB -0.829 62.320 63.200 -0.085 0.000 0.813 146 S HN 0.767 nan 8.310 nan 0.000 0.477 147 A N 0.257 122.997 122.820 -0.133 0.000 1.933 147 A HA -0.148 3.869 4.320 -0.504 0.000 0.218 147 A C 2.343 179.803 177.584 -0.207 0.000 1.175 147 A CA 1.457 53.346 52.037 -0.247 0.000 0.628 147 A CB -1.226 17.646 19.000 -0.214 0.000 0.814 147 A HN 0.634 nan 8.150 nan 0.000 0.444 148 C N -0.983 118.313 119.300 -0.005 0.000 2.403 148 C HA -0.015 4.142 4.460 -0.504 0.000 0.282 148 C C 2.403 177.523 174.990 0.217 0.000 1.297 148 C CA 0.816 59.911 59.018 0.128 0.000 1.785 148 C CB -1.426 26.323 27.740 0.015 0.000 1.963 148 C HN 0.707 nan 8.230 nan 0.000 0.507 149 G N -1.106 107.747 108.800 0.088 0.000 3.434 149 G HA2 0.406 4.064 3.960 -0.504 0.000 0.258 149 G HA3 0.406 4.064 3.960 -0.504 0.000 0.258 149 G C 0.892 175.852 174.900 0.099 0.000 1.128 149 G CA -0.007 45.165 45.100 0.119 0.000 0.792 149 G HN 0.533 nan 8.290 nan 0.000 0.539 150 L N -1.705 119.523 121.223 0.008 0.000 2.878 150 L HA 0.367 4.404 4.340 -0.504 0.000 0.253 150 L C 1.936 178.851 176.870 0.075 0.000 1.135 150 L CA -0.218 54.645 54.840 0.038 0.000 0.943 150 L CB -0.008 42.025 42.059 -0.043 0.000 1.307 150 L HN 0.073 nan 8.230 nan 0.000 0.545 151 F N 0.771 120.819 119.950 0.165 0.000 2.069 151 F HA -0.305 3.920 4.527 -0.505 0.000 0.298 151 F C 3.002 178.999 175.800 0.328 0.000 1.113 151 F CA 2.040 60.136 58.000 0.161 0.000 1.214 151 F CB -0.514 38.375 39.000 -0.186 0.000 0.978 151 F HN 0.086 nan 8.300 nan 0.000 0.474 152 S N 0.464 116.476 115.700 0.520 0.000 2.374 152 S HA -0.193 3.975 4.470 -0.504 0.000 0.227 152 S C 2.167 176.947 174.600 0.300 0.000 1.037 152 S CA 1.950 60.417 58.200 0.445 0.000 1.024 152 S CB -0.882 62.508 63.200 0.317 0.000 0.861 152 S HN 0.246 nan 8.310 nan 0.000 0.456 153 V N 1.091 121.136 119.914 0.219 0.000 2.548 153 V HA -0.037 3.780 4.120 -0.504 0.000 0.249 153 V C 2.716 178.803 176.094 -0.012 0.000 1.055 153 V CA 1.287 63.633 62.300 0.077 0.000 1.065 153 V CB -1.868 29.940 31.823 -0.026 0.000 0.681 153 V HN 0.893 nan 8.190 nan 0.000 0.462 154 C N -1.563 117.788 119.300 0.085 0.000 2.504 154 C HA 0.108 4.265 4.460 -0.504 0.000 0.279 154 C C 2.559 177.646 174.990 0.161 0.000 1.358 154 C CA 0.492 59.536 59.018 0.043 0.000 1.747 154 C CB -1.511 26.300 27.740 0.119 0.000 2.037 154 C HN 0.580 nan 8.230 nan 0.000 0.503 155 Y N 3.791 124.197 120.300 0.178 0.000 2.096 155 Y HA -0.099 4.148 4.550 -0.504 0.000 0.278 155 Y C -0.576 175.373 175.900 0.083 0.000 1.192 155 Y CA 2.748 60.958 58.100 0.183 0.000 1.143 155 Y CB -1.418 37.211 38.460 0.281 0.000 0.963 155 Y HN 0.273 nan 8.280 nan 0.000 0.505 156 P HA -0.074 nan 4.420 nan 0.000 0.225 156 P C 0.781 178.095 177.300 0.023 0.000 1.148 156 P CA 1.684 64.866 63.100 0.137 0.000 0.779 156 P CB 0.110 31.883 31.700 0.121 0.000 0.780 157 R N -1.366 119.132 120.500 -0.005 0.000 2.373 157 R HA 0.120 4.157 4.340 -0.504 0.000 0.221 157 R C 0.547 176.816 176.300 -0.052 0.000 0.893 157 R CA 0.002 56.085 56.100 -0.028 0.000 1.049 157 R CB -0.065 30.220 30.300 -0.025 0.000 1.119 157 R HN 0.094 nan 8.270 nan 0.000 0.535 158 V N 0.053 119.922 119.914 -0.075 0.000 3.185 158 V HA 0.258 4.075 4.120 -0.504 0.000 0.305 158 V C 0.666 176.692 176.094 -0.114 0.000 1.090 158 V CA -1.159 61.091 62.300 -0.083 0.000 1.107 158 V CB 1.305 33.086 31.823 -0.070 0.000 1.061 158 V HN 0.252 nan 8.190 nan 0.000 0.480 159 S N 1.140 116.789 115.700 -0.085 0.000 2.589 159 S HA 0.107 4.274 4.470 -0.504 0.000 0.265 159 S C 1.447 175.986 174.600 -0.103 0.000 1.342 159 S CA 0.396 58.550 58.200 -0.077 0.000 1.005 159 S CB 0.905 64.075 63.200 -0.050 0.000 0.909 159 S HN 1.286 nan 8.310 nan 0.000 0.555 160 S N 1.494 117.146 115.700 -0.080 0.000 2.387 160 S HA -0.183 3.985 4.470 -0.504 0.000 0.230 160 S C 1.960 176.527 174.600 -0.055 0.000 1.035 160 S CA 1.504 59.661 58.200 -0.072 0.000 1.014 160 S CB -1.129 62.047 63.200 -0.039 0.000 0.836 160 S HN 0.976 nan 8.310 nan 0.000 0.466 161 A N 0.153 122.950 122.820 -0.038 0.000 1.970 161 A HA 0.110 4.128 4.320 -0.504 0.000 0.216 161 A C 2.221 179.801 177.584 -0.006 0.000 1.170 161 A CA 1.319 53.346 52.037 -0.017 0.000 0.645 161 A CB -0.517 18.475 19.000 -0.013 0.000 0.816 161 A HN 0.460 nan 8.150 nan 0.000 0.447 162 V N 0.138 120.040 119.914 -0.020 0.000 2.591 162 V HA -0.190 3.627 4.120 -0.504 0.000 0.249 162 V C 2.263 178.369 176.094 0.021 0.000 1.053 162 V CA 1.918 64.226 62.300 0.013 0.000 1.068 162 V CB -0.652 31.173 31.823 0.003 0.000 0.689 162 V HN 0.501 nan 8.190 nan 0.000 0.462 163 K N 0.904 121.240 120.400 -0.106 0.000 2.044 163 K HA -0.210 3.808 4.320 -0.504 0.000 0.210 163 K C 2.358 179.048 176.600 0.150 0.000 1.049 163 K CA 1.701 57.881 56.287 -0.177 0.000 0.927 163 K CB -0.503 31.730 32.500 -0.445 0.000 0.713 163 K HN 0.473 nan 8.250 nan 0.000 0.443 164 A N 1.867 124.739 122.820 0.086 0.000 1.883 164 A HA -0.256 3.762 4.320 -0.504 0.000 0.217 164 A C 1.973 179.618 177.584 0.102 0.000 1.186 164 A CA 1.841 53.937 52.037 0.097 0.000 0.624 164 A CB -0.529 18.498 19.000 0.044 0.000 0.822 164 A HN 0.366 nan 8.150 nan 0.000 0.444 165 E N -0.060 120.194 120.200 0.090 0.000 2.085 165 E HA -0.169 3.879 4.350 -0.504 0.000 0.194 165 E C 1.995 178.717 176.600 0.202 0.000 0.994 165 E CA 1.230 57.674 56.400 0.073 0.000 0.801 165 E CB -0.376 29.388 29.700 0.107 0.000 0.743 165 E HN 0.624 nan 8.360 nan 0.000 0.453 166 L N 0.632 122.063 121.223 0.347 0.000 2.017 166 L HA -0.188 3.849 4.340 -0.504 0.000 0.208 166 L C 2.679 179.742 176.870 0.321 0.000 1.073 166 L CA 1.249 56.395 54.840 0.509 0.000 0.745 166 L CB -0.389 42.054 42.059 0.641 0.000 0.894 166 L HN 0.081 nan 8.230 nan 0.000 0.432 167 R N -0.407 120.296 120.500 0.340 0.000 2.105 167 R HA -0.229 3.808 4.340 -0.504 0.000 0.239 167 R C 2.305 178.679 176.300 0.123 0.000 1.135 167 R CA 1.496 57.750 56.100 0.256 0.000 0.967 167 R CB -0.270 30.177 30.300 0.244 0.000 0.861 167 R HN 0.251 nan 8.270 nan 0.000 0.442 168 Q N -0.066 119.773 119.800 0.064 0.000 2.167 168 Q HA -0.135 3.902 4.340 -0.504 0.000 0.202 168 Q C 1.387 177.360 176.000 -0.045 0.000 0.970 168 Q CA 1.625 57.411 55.803 -0.030 0.000 0.855 168 Q CB -0.192 28.472 28.738 -0.123 0.000 0.911 168 Q HN 0.472 nan 8.270 nan 0.000 0.438 169 Y N -1.547 118.770 120.300 0.028 0.000 2.153 169 Y HA -0.167 4.081 4.550 -0.504 0.000 0.289 169 Y C 1.848 177.663 175.900 -0.141 0.000 1.127 169 Y CA 0.891 59.000 58.100 0.016 0.000 1.131 169 Y CB -0.196 38.376 38.460 0.187 0.000 0.995 169 Y HN 0.167 nan 8.280 nan 0.000 0.505 170 F N 0.836 120.506 119.950 -0.467 0.000 2.126 170 F HA -0.256 3.968 4.527 -0.505 0.000 0.299 170 F C 2.602 178.270 175.800 -0.220 0.000 1.096 170 F CA 1.596 59.206 58.000 -0.650 0.000 1.255 170 F CB -0.313 38.053 39.000 -1.057 0.000 0.997 170 F HN -0.137 nan 8.300 nan 0.000 0.479 171 R N 0.350 120.921 120.500 0.118 0.000 2.080 171 R HA -0.217 3.820 4.340 -0.504 0.000 0.236 171 R C 2.133 178.454 176.300 0.036 0.000 1.137 171 R CA 1.971 58.133 56.100 0.103 0.000 0.943 171 R CB -0.485 29.862 30.300 0.079 0.000 0.846 171 R HN 0.297 nan 8.270 nan 0.000 0.431 172 N N 0.805 119.523 118.700 0.030 0.000 2.094 172 N HA -0.203 4.234 4.740 -0.504 0.000 0.191 172 N C 1.939 177.450 175.510 0.001 0.000 1.023 172 N CA 1.443 54.512 53.050 0.032 0.000 0.857 172 N CB -0.350 38.183 38.487 0.077 0.000 1.013 172 N HN 0.294 nan 8.380 nan 0.000 0.426 173 L N 0.570 121.759 121.223 -0.057 0.000 2.046 173 L HA -0.162 3.875 4.340 -0.504 0.000 0.208 173 L C 2.414 179.205 176.870 -0.131 0.000 1.077 173 L CA 0.895 55.660 54.840 -0.125 0.000 0.747 173 L CB -0.684 41.224 42.059 -0.252 0.000 0.896 173 L HN 0.198 nan 8.230 nan 0.000 0.432 174 C N -0.834 118.384 119.300 -0.136 0.000 2.409 174 C HA -0.107 4.050 4.460 -0.504 0.000 0.284 174 C C 2.391 177.377 174.990 -0.007 0.000 1.354 174 C CA 0.714 59.705 59.018 -0.045 0.000 1.787 174 C CB -1.028 26.736 27.740 0.041 0.000 1.900 174 C HN 0.435 nan 8.230 nan 0.000 0.520 175 S N -0.053 115.645 115.700 -0.004 0.000 2.622 175 S HA 0.053 4.220 4.470 -0.504 0.000 0.236 175 S C 0.172 174.775 174.600 0.006 0.000 0.956 175 S CA -0.146 58.058 58.200 0.006 0.000 0.971 175 S CB -0.433 62.774 63.200 0.013 0.000 0.782 175 S HN 0.626 nan 8.310 nan 0.000 0.468 176 D N 1.920 122.320 120.400 0.001 0.000 2.400 176 D HA 0.008 4.345 4.640 -0.504 0.000 0.238 176 D C 0.015 176.321 176.300 0.010 0.000 1.157 176 D CA 0.283 54.290 54.000 0.011 0.000 0.889 176 D CB 0.869 41.677 40.800 0.012 0.000 1.199 176 D HN 0.116 nan 8.370 nan 0.000 0.436 177 D N -0.258 120.151 120.400 0.016 0.000 2.323 177 D HA -0.025 4.312 4.640 -0.504 0.000 0.209 177 D C 0.427 176.722 176.300 -0.009 0.000 0.973 177 D CA 0.671 54.675 54.000 0.006 0.000 0.874 177 D CB 0.178 40.986 40.800 0.013 0.000 0.930 177 D HN 0.343 nan 8.370 nan 0.000 0.521 178 T N -2.269 112.281 114.554 -0.007 0.000 2.829 178 T HA 0.355 4.403 4.350 -0.504 0.000 0.282 178 T C -2.144 172.534 174.700 -0.038 0.000 0.990 178 T CA -2.087 59.985 62.100 -0.047 0.000 1.028 178 T CB 2.312 71.138 68.868 -0.070 0.000 0.951 178 T HN -0.304 nan 8.240 nan 0.000 0.460 179 P HA -0.023 nan 4.420 nan 0.000 0.218 179 P C 1.460 178.745 177.300 -0.025 0.000 1.149 179 P CA 0.816 63.892 63.100 -0.039 0.000 0.817 179 P CB -0.143 31.526 31.700 -0.050 0.000 0.785 180 M N -1.147 118.425 119.600 -0.047 0.000 2.106 180 M HA -0.147 4.030 4.480 -0.504 0.000 0.259 180 M C 1.953 178.306 176.300 0.089 0.000 1.068 180 M CA 1.783 57.099 55.300 0.026 0.000 1.100 180 M CB -1.689 30.927 32.600 0.026 0.000 1.351 180 M HN -0.226 nan 8.290 nan 0.000 0.404 181 V N -0.476 119.492 119.914 0.089 0.000 2.488 181 V HA -0.155 3.663 4.120 -0.504 0.000 0.246 181 V C 2.408 178.508 176.094 0.010 0.000 1.046 181 V CA 1.449 63.792 62.300 0.071 0.000 1.053 181 V CB -0.642 31.225 31.823 0.072 0.000 0.679 181 V HN 0.398 nan 8.190 nan 0.000 0.458 182 R N 0.140 120.643 120.500 0.006 0.000 2.081 182 R HA -0.113 3.925 4.340 -0.504 0.000 0.235 182 R C 2.541 178.848 176.300 0.013 0.000 1.131 182 R CA 1.361 57.459 56.100 -0.003 0.000 0.960 182 R CB -0.351 29.950 30.300 0.001 0.000 0.856 182 R HN 0.500 nan 8.270 nan 0.000 0.436 183 R N 0.320 120.833 120.500 0.022 0.000 2.091 183 R HA -0.108 3.930 4.340 -0.504 0.000 0.238 183 R C 2.290 178.616 176.300 0.043 0.000 1.136 183 R CA 1.544 57.664 56.100 0.033 0.000 0.959 183 R CB -0.395 29.923 30.300 0.030 0.000 0.856 183 R HN 0.199 nan 8.270 nan 0.000 0.437 184 A N 1.054 123.897 122.820 0.037 0.000 1.968 184 A HA 0.006 4.024 4.320 -0.504 0.000 0.217 184 A C 2.310 179.908 177.584 0.023 0.000 1.169 184 A CA 1.400 53.461 52.037 0.039 0.000 0.638 184 A CB -0.362 18.660 19.000 0.036 0.000 0.812 184 A HN 0.388 nan 8.150 nan 0.000 0.446 185 A N -0.061 122.734 122.820 -0.040 0.000 1.897 185 A HA 0.274 4.292 4.320 -0.504 0.000 0.215 185 A C 2.490 180.142 177.584 0.114 0.000 1.181 185 A CA 1.669 53.627 52.037 -0.131 0.000 0.620 185 A CB -1.018 17.809 19.000 -0.288 0.000 0.821 185 A HN 0.989 nan 8.150 nan 0.000 0.443 186 A N 0.571 123.453 122.820 0.103 0.000 1.917 186 A HA -0.176 3.841 4.320 -0.504 0.000 0.219 186 A C 2.447 180.126 177.584 0.157 0.000 1.182 186 A CA 2.613 54.739 52.037 0.147 0.000 0.633 186 A CB -0.991 18.073 19.000 0.108 0.000 0.819 186 A HN 0.815 nan 8.150 nan 0.000 0.448 187 S N -0.636 115.143 115.700 0.132 0.000 2.436 187 S HA -0.004 4.163 4.470 -0.504 0.000 0.228 187 S C 1.468 176.160 174.600 0.152 0.000 1.014 187 S CA 0.979 59.251 58.200 0.120 0.000 0.950 187 S CB -0.024 63.233 63.200 0.095 0.000 0.784 187 S HN 0.498 nan 8.310 nan 0.000 0.504 188 K N 1.156 121.692 120.400 0.226 0.000 2.404 188 K HA 0.366 4.383 4.320 -0.504 0.000 0.194 188 K C 1.631 178.431 176.600 0.332 0.000 1.023 188 K CA -0.096 56.363 56.287 0.286 0.000 1.094 188 K CB -0.439 32.263 32.500 0.337 0.000 0.841 188 K HN 0.338 nan 8.250 nan 0.000 0.523 189 L N 0.801 122.233 121.223 0.349 0.000 2.012 189 L HA -0.179 3.858 4.340 -0.504 0.000 0.210 189 L C 2.134 179.026 176.870 0.036 0.000 1.073 189 L CA 1.829 56.796 54.840 0.211 0.000 0.748 189 L CB -0.711 41.487 42.059 0.232 0.000 0.891 189 L HN 0.280 nan 8.230 nan 0.000 0.431 190 G N -0.012 108.797 108.800 0.015 0.000 2.459 190 G HA2 -0.348 3.309 3.960 -0.504 0.000 0.217 190 G HA3 -0.348 3.309 3.960 -0.504 0.000 0.217 190 G C 1.250 176.125 174.900 -0.042 0.000 1.183 190 G CA 1.033 46.098 45.100 -0.058 0.000 0.776 190 G HN 0.688 nan 8.290 nan 0.000 0.552 191 E N -0.931 119.286 120.200 0.027 0.000 2.285 191 E HA 0.049 4.097 4.350 -0.504 0.000 0.194 191 E C 2.024 178.648 176.600 0.040 0.000 0.997 191 E CA 0.392 56.813 56.400 0.035 0.000 0.845 191 E CB -0.333 29.416 29.700 0.082 0.000 0.782 191 E HN 0.379 nan 8.360 nan 0.000 0.491 192 F N 2.013 121.874 119.950 -0.149 0.000 2.187 192 F HA 0.210 4.434 4.527 -0.505 0.000 0.295 192 F C 2.334 177.923 175.800 -0.352 0.000 1.091 192 F CA 0.950 58.775 58.000 -0.292 0.000 1.308 192 F CB -0.585 38.075 39.000 -0.567 0.000 1.030 192 F HN 0.099 nan 8.300 nan 0.000 0.487 193 A N 0.448 123.032 122.820 -0.394 0.000 1.986 193 A HA -0.263 3.754 4.320 -0.504 0.000 0.220 193 A C 2.271 179.634 177.584 -0.370 0.000 1.171 193 A CA 2.023 53.809 52.037 -0.419 0.000 0.640 193 A CB -0.766 18.081 19.000 -0.255 0.000 0.811 193 A HN 0.479 nan 8.150 nan 0.000 0.451 194 K N -0.561 119.678 120.400 -0.268 0.000 2.155 194 K HA -0.056 3.962 4.320 -0.504 0.000 0.203 194 K C 1.632 178.112 176.600 -0.200 0.000 1.052 194 K CA 1.495 57.671 56.287 -0.185 0.000 0.948 194 K CB -0.186 32.250 32.500 -0.106 0.000 0.728 194 K HN 0.570 nan 8.250 nan 0.000 0.448 195 V N -0.960 118.781 119.914 -0.288 0.000 3.649 195 V HA 0.174 3.992 4.120 -0.504 0.000 0.275 195 V C 0.753 176.648 176.094 -0.333 0.000 1.281 195 V CA -0.039 62.130 62.300 -0.218 0.000 1.143 195 V CB -0.579 31.186 31.823 -0.096 0.000 0.892 195 V HN 0.010 nan 8.190 nan 0.000 0.441 196 L N 2.128 123.010 121.223 -0.568 0.000 2.418 196 L HA 0.425 4.463 4.340 -0.504 0.000 0.265 196 L C 0.658 177.397 176.870 -0.218 0.000 1.143 196 L CA -0.502 54.037 54.840 -0.501 0.000 0.809 196 L CB 0.641 42.295 42.059 -0.675 0.000 1.124 196 L HN 0.339 nan 8.230 nan 0.000 0.456 197 E N 2.300 122.436 120.200 -0.106 0.000 2.366 197 E HA 0.046 4.093 4.350 -0.504 0.000 0.266 197 E C 0.708 177.263 176.600 -0.075 0.000 1.051 197 E CA -0.456 55.910 56.400 -0.056 0.000 0.884 197 E CB 1.601 31.298 29.700 -0.004 0.000 1.006 197 E HN 0.611 nan 8.360 nan 0.000 0.417 198 L N 1.199 122.386 121.223 -0.059 0.000 2.127 198 L HA -0.219 3.818 4.340 -0.504 0.000 0.211 198 L C 1.149 177.992 176.870 -0.045 0.000 1.089 198 L CA 1.653 56.459 54.840 -0.057 0.000 0.757 198 L CB -0.229 41.804 42.059 -0.043 0.000 0.899 198 L HN 0.485 nan 8.230 nan 0.000 0.434 199 D N 0.040 120.421 120.400 -0.031 0.000 2.158 199 D HA -0.193 4.144 4.640 -0.504 0.000 0.197 199 D C 1.650 177.936 176.300 -0.024 0.000 0.995 199 D CA 1.177 55.165 54.000 -0.020 0.000 0.846 199 D CB -0.166 40.627 40.800 -0.011 0.000 0.941 199 D HN 0.375 nan 8.370 nan 0.000 0.456 200 N N -0.593 118.083 118.700 -0.039 0.000 2.356 200 N HA 0.006 4.443 4.740 -0.504 0.000 0.178 200 N C 1.779 177.244 175.510 -0.074 0.000 1.075 200 N CA 0.064 53.087 53.050 -0.046 0.000 0.889 200 N CB 0.504 38.963 38.487 -0.046 0.000 0.999 200 N HN 0.076 nan 8.380 nan 0.000 0.464 201 V N 1.411 121.269 119.914 -0.094 0.000 2.453 201 V HA -0.127 3.690 4.120 -0.504 0.000 0.247 201 V C 2.046 178.113 176.094 -0.045 0.000 1.048 201 V CA 1.414 63.654 62.300 -0.099 0.000 1.049 201 V CB -0.308 31.444 31.823 -0.119 0.000 0.672 201 V HN 0.221 nan 8.190 nan 0.000 0.457 202 K N 0.887 121.269 120.400 -0.031 0.000 2.155 202 K HA -0.081 3.936 4.320 -0.504 0.000 0.203 202 K C 2.320 178.923 176.600 0.004 0.000 1.052 202 K CA 1.645 57.927 56.287 -0.007 0.000 0.948 202 K CB -0.158 32.337 32.500 -0.009 0.000 0.728 202 K HN 0.636 nan 8.250 nan 0.000 0.448 203 S N -0.086 115.613 115.700 -0.002 0.000 2.499 203 S HA 0.092 4.260 4.470 -0.504 0.000 0.225 203 S C 1.618 176.228 174.600 0.016 0.000 1.050 203 S CA -0.031 58.174 58.200 0.007 0.000 0.928 203 S CB 0.276 63.478 63.200 0.004 0.000 0.803 203 S HN 0.199 nan 8.310 nan 0.000 0.506 204 E N 0.466 120.672 120.200 0.010 0.000 2.288 204 E HA 0.243 4.290 4.350 -0.504 0.000 0.200 204 E C 1.651 178.275 176.600 0.039 0.000 0.880 204 E CA 0.011 56.426 56.400 0.025 0.000 0.971 204 E CB 0.072 29.784 29.700 0.021 0.000 0.954 204 E HN 0.261 nan 8.360 nan 0.000 0.489 205 I N 2.091 122.666 120.570 0.008 0.000 2.090 205 I HA -0.236 3.631 4.170 -0.504 0.000 0.236 205 I C 2.461 178.642 176.117 0.107 0.000 1.064 205 I CA 1.129 62.445 61.300 0.027 0.000 1.324 205 I CB -0.861 37.103 38.000 -0.059 0.000 1.044 205 I HN 0.131 nan 8.210 nan 0.000 0.399 206 I N 1.219 121.850 120.570 0.102 0.000 2.145 206 I HA -0.234 3.633 4.170 -0.504 0.000 0.244 206 I C -0.030 176.172 176.117 0.142 0.000 1.075 206 I CA 2.107 63.510 61.300 0.172 0.000 1.332 206 I CB -3.014 35.056 38.000 0.117 0.000 1.033 206 I HN 0.160 nan 8.210 nan 0.000 0.410 207 P HA -0.145 nan 4.420 nan 0.000 0.215 207 P C 2.194 179.537 177.300 0.072 0.000 1.153 207 P CA 1.448 64.581 63.100 0.054 0.000 0.853 207 P CB -0.062 31.664 31.700 0.043 0.000 0.788 208 M N -2.210 117.460 119.600 0.117 0.000 2.080 208 M HA -0.148 4.029 4.480 -0.504 0.000 0.260 208 M C 1.965 178.382 176.300 0.195 0.000 1.068 208 M CA 1.861 57.250 55.300 0.149 0.000 1.109 208 M CB -0.729 31.985 32.600 0.191 0.000 1.342 208 M HN -0.143 nan 8.290 nan 0.000 0.405 209 F N -0.501 119.480 119.950 0.051 0.000 1.997 209 F HA -0.362 3.862 4.527 -0.505 0.000 0.296 209 F C 2.724 178.542 175.800 0.030 0.000 1.160 209 F CA 1.832 59.857 58.000 0.042 0.000 1.176 209 F CB -0.810 38.204 39.000 0.024 0.000 0.964 209 F HN 0.224 nan 8.300 nan 0.000 0.484 210 S N 0.894 116.346 115.700 -0.414 0.000 2.429 210 S HA -0.379 3.788 4.470 -0.504 0.000 0.251 210 S C 1.833 176.303 174.600 -0.217 0.000 1.104 210 S CA 2.274 60.226 58.200 -0.414 0.000 1.130 210 S CB -0.886 62.190 63.200 -0.206 0.000 1.000 210 S HN 0.631 nan 8.310 nan 0.000 0.449 211 N N 0.902 119.549 118.700 -0.088 0.000 2.058 211 N HA -0.002 4.435 4.740 -0.504 0.000 0.191 211 N C 1.674 177.167 175.510 -0.027 0.000 1.037 211 N CA 1.409 54.436 53.050 -0.038 0.000 0.848 211 N CB -0.837 37.654 38.487 0.007 0.000 1.021 211 N HN 0.302 nan 8.380 nan 0.000 0.422 212 L N 1.367 122.599 121.223 0.014 0.000 2.012 212 L HA -0.043 3.995 4.340 -0.504 0.000 0.210 212 L C 2.106 178.979 176.870 0.005 0.000 1.073 212 L CA 1.340 56.206 54.840 0.043 0.000 0.748 212 L CB -1.565 40.570 42.059 0.126 0.000 0.891 212 L HN 0.121 nan 8.230 nan 0.000 0.431 213 A N -1.336 121.445 122.820 -0.064 0.000 2.234 213 A HA -0.111 3.906 4.320 -0.504 0.000 0.216 213 A C 1.863 179.395 177.584 -0.087 0.000 1.167 213 A CA 1.591 53.565 52.037 -0.106 0.000 0.698 213 A CB -0.595 18.208 19.000 -0.328 0.000 0.779 213 A HN 0.557 nan 8.150 nan 0.000 0.475 214 S N -1.618 114.039 115.700 -0.072 0.000 3.009 214 S HA 0.144 4.311 4.470 -0.504 0.000 0.254 214 S C -0.148 174.431 174.600 -0.034 0.000 1.004 214 S CA -0.220 57.948 58.200 -0.055 0.000 1.119 214 S CB -0.219 62.941 63.200 -0.067 0.000 1.075 214 S HN 0.388 nan 8.310 nan 0.000 0.618 215 D N 3.374 123.760 120.400 -0.024 0.000 2.563 215 D HA -0.086 4.252 4.640 -0.504 0.000 0.229 215 D C 1.460 177.749 176.300 -0.018 0.000 1.159 215 D CA 0.659 54.650 54.000 -0.015 0.000 0.869 215 D CB 0.920 41.716 40.800 -0.007 0.000 1.203 215 D HN 0.515 nan 8.370 nan 0.000 0.478 216 E N 3.211 123.401 120.200 -0.017 0.000 2.058 216 E HA -0.269 3.779 4.350 -0.504 0.000 0.194 216 E C 0.605 177.193 176.600 -0.020 0.000 0.997 216 E CA 0.893 57.282 56.400 -0.017 0.000 0.801 216 E CB -0.472 29.219 29.700 -0.015 0.000 0.746 216 E HN 0.564 nan 8.360 nan 0.000 0.450 217 Q N 1.846 121.633 119.800 -0.021 0.000 2.244 217 Q HA -0.044 3.993 4.340 -0.504 0.000 0.278 217 Q C 0.022 176.003 176.000 -0.032 0.000 1.093 217 Q CA 0.188 55.975 55.803 -0.027 0.000 0.916 217 Q CB 0.786 29.509 28.738 -0.026 0.000 1.159 217 Q HN 0.089 nan 8.270 nan 0.000 0.384 218 D N 1.326 121.699 120.400 -0.045 0.000 2.133 218 D HA -0.241 4.096 4.640 -0.504 0.000 0.195 218 D C 1.583 177.844 176.300 -0.066 0.000 0.997 218 D CA 1.674 55.635 54.000 -0.065 0.000 0.840 218 D CB -0.431 40.310 40.800 -0.098 0.000 0.947 218 D HN 0.563 nan 8.370 nan 0.000 0.452 219 S N -0.296 115.368 115.700 -0.060 0.000 2.420 219 S HA -0.144 4.024 4.470 -0.504 0.000 0.237 219 S C 1.849 176.435 174.600 -0.023 0.000 1.023 219 S CA 1.161 59.332 58.200 -0.049 0.000 0.991 219 S CB -0.128 63.048 63.200 -0.040 0.000 0.792 219 S HN 0.150 nan 8.310 nan 0.000 0.488 220 V N 1.144 121.050 119.914 -0.013 0.000 2.436 220 V HA 0.135 3.952 4.120 -0.504 0.000 0.240 220 V C 2.573 178.679 176.094 0.021 0.000 1.040 220 V CA 1.073 63.379 62.300 0.010 0.000 1.052 220 V CB -0.685 31.144 31.823 0.010 0.000 0.707 220 V HN 0.339 nan 8.190 nan 0.000 0.469 221 R N 0.146 120.649 120.500 0.005 0.000 2.139 221 R HA -0.196 3.841 4.340 -0.504 0.000 0.243 221 R C 2.315 178.629 176.300 0.022 0.000 1.145 221 R CA 1.746 57.852 56.100 0.010 0.000 0.976 221 R CB -0.589 29.704 30.300 -0.012 0.000 0.866 221 R HN 0.479 nan 8.270 nan 0.000 0.449 222 L N 0.943 122.168 121.223 0.003 0.000 2.046 222 L HA -0.160 3.877 4.340 -0.504 0.000 0.208 222 L C 1.727 178.623 176.870 0.043 0.000 1.077 222 L CA 1.496 56.340 54.840 0.007 0.000 0.747 222 L CB -0.089 41.950 42.059 -0.034 0.000 0.896 222 L HN 0.203 nan 8.230 nan 0.000 0.432 223 L N -0.109 121.144 121.223 0.050 0.000 2.610 223 L HA 0.001 4.038 4.340 -0.504 0.000 0.232 223 L C 2.567 179.501 176.870 0.107 0.000 1.149 223 L CA 0.295 55.178 54.840 0.072 0.000 0.872 223 L CB -0.660 41.440 42.059 0.069 0.000 0.992 223 L HN 0.313 nan 8.230 nan 0.000 0.447 224 A N 0.061 122.959 122.820 0.129 0.000 1.930 224 A HA -0.106 3.912 4.320 -0.504 0.000 0.217 224 A C 2.307 180.026 177.584 0.225 0.000 1.175 224 A CA 1.370 53.547 52.037 0.234 0.000 0.627 224 A CB -0.461 18.663 19.000 0.206 0.000 0.815 224 A HN 0.193 nan 8.150 nan 0.000 0.443 225 V N 0.105 120.098 119.914 0.131 0.000 2.261 225 V HA -0.256 3.562 4.120 -0.504 0.000 0.246 225 V C 2.595 178.715 176.094 0.043 0.000 1.047 225 V CA 2.420 64.774 62.300 0.090 0.000 1.015 225 V CB -0.775 31.087 31.823 0.064 0.000 0.642 225 V HN 0.733 nan 8.190 nan 0.000 0.446 226 E N 0.897 121.118 120.200 0.035 0.000 2.118 226 E HA -0.197 3.851 4.350 -0.504 0.000 0.195 226 E C 2.079 178.653 176.600 -0.044 0.000 0.992 226 E CA 1.686 58.089 56.400 0.005 0.000 0.804 226 E CB -0.513 29.201 29.700 0.024 0.000 0.741 226 E HN 0.510 nan 8.360 nan 0.000 0.458 227 A N 0.279 123.066 122.820 -0.054 0.000 1.908 227 A HA -0.237 3.780 4.320 -0.504 0.000 0.218 227 A C 2.665 180.010 177.584 -0.399 0.000 1.181 227 A CA 1.619 53.538 52.037 -0.196 0.000 0.627 227 A CB -1.435 17.463 19.000 -0.170 0.000 0.818 227 A HN 0.576 nan 8.150 nan 0.000 0.445 228 C N -0.797 118.324 119.300 -0.298 0.000 2.442 228 C HA -0.095 4.063 4.460 -0.504 0.000 0.279 228 C C 2.645 177.544 174.990 -0.151 0.000 1.237 228 C CA 1.404 60.290 59.018 -0.219 0.000 1.722 228 C CB -1.504 26.321 27.740 0.142 0.000 2.056 228 C HN 0.452 nan 8.230 nan 0.000 0.469 229 V N 2.584 122.442 119.914 -0.095 0.000 2.250 229 V HA -0.298 3.519 4.120 -0.504 0.000 0.253 229 V C 2.347 178.381 176.094 -0.099 0.000 1.065 229 V CA 2.708 64.958 62.300 -0.084 0.000 1.039 229 V CB -0.964 30.824 31.823 -0.057 0.000 0.647 229 V HN 0.607 nan 8.190 nan 0.000 0.446 230 N N -0.299 118.328 118.700 -0.122 0.000 2.188 230 N HA -0.014 4.423 4.740 -0.504 0.000 0.184 230 N C 1.789 177.209 175.510 -0.151 0.000 1.018 230 N CA 1.416 54.394 53.050 -0.120 0.000 0.858 230 N CB -0.232 38.188 38.487 -0.112 0.000 0.989 230 N HN 0.461 nan 8.380 nan 0.000 0.426 231 I N 1.047 121.483 120.570 -0.224 0.000 2.286 231 I HA -0.160 3.708 4.170 -0.504 0.000 0.245 231 I C 2.285 178.324 176.117 -0.130 0.000 1.104 231 I CA 0.547 61.716 61.300 -0.218 0.000 1.397 231 I CB -0.287 37.498 38.000 -0.358 0.000 1.072 231 I HN 0.030 nan 8.210 nan 0.000 0.417 232 A N 0.497 123.252 122.820 -0.109 0.000 1.903 232 A HA -0.325 3.693 4.320 -0.504 0.000 0.219 232 A C 2.204 179.754 177.584 -0.057 0.000 1.191 232 A CA 1.970 53.970 52.037 -0.063 0.000 0.638 232 A CB -0.817 18.150 19.000 -0.056 0.000 0.823 232 A HN 0.486 nan 8.150 nan 0.000 0.451 233 Q N -0.707 119.054 119.800 -0.065 0.000 2.135 233 Q HA -0.122 3.915 4.340 -0.504 0.000 0.204 233 Q C 2.022 177.990 176.000 -0.053 0.000 0.981 233 Q CA 1.513 57.284 55.803 -0.053 0.000 0.856 233 Q CB -0.318 28.387 28.738 -0.054 0.000 0.902 233 Q HN 0.712 nan 8.270 nan 0.000 0.425 234 L N 0.071 121.253 121.223 -0.068 0.000 2.313 234 L HA 0.007 4.044 4.340 -0.504 0.000 0.214 234 L C 0.783 177.621 176.870 -0.054 0.000 1.119 234 L CA 0.185 54.985 54.840 -0.067 0.000 0.809 234 L CB 0.004 42.009 42.059 -0.091 0.000 0.933 234 L HN 0.142 nan 8.230 nan 0.000 0.449 235 L N 0.371 121.565 121.223 -0.048 0.000 2.360 235 L HA 0.350 4.388 4.340 -0.504 0.000 0.271 235 L C -2.031 174.824 176.870 -0.025 0.000 1.057 235 L CA -1.921 52.898 54.840 -0.034 0.000 0.803 235 L CB 0.848 42.891 42.059 -0.026 0.000 1.207 235 L HN -0.166 nan 8.230 nan 0.000 0.445 236 P HA 0.108 nan 4.420 nan 0.000 0.281 236 P C -0.117 177.177 177.300 -0.010 0.000 1.249 236 P CA -0.549 62.542 63.100 -0.014 0.000 0.810 236 P CB 1.097 32.790 31.700 -0.013 0.000 1.008 237 Q N 1.313 121.108 119.800 -0.008 0.000 2.118 237 Q HA -0.254 3.783 4.340 -0.504 0.000 0.211 237 Q C 1.640 177.639 176.000 -0.001 0.000 0.998 237 Q CA 2.273 58.073 55.803 -0.004 0.000 0.872 237 Q CB -0.262 28.474 28.738 -0.003 0.000 0.925 237 Q HN 0.585 nan 8.270 nan 0.000 0.414 238 E N 0.670 120.869 120.200 -0.002 0.000 2.063 238 E HA -0.230 3.817 4.350 -0.504 0.000 0.221 238 E C 1.675 178.276 176.600 0.002 0.000 1.052 238 E CA 1.583 57.983 56.400 0.000 0.000 0.891 238 E CB -0.322 29.377 29.700 -0.002 0.000 0.792 238 E HN 0.354 nan 8.360 nan 0.000 0.482 239 D N 0.382 120.782 120.400 0.001 0.000 2.351 239 D HA -0.100 4.237 4.640 -0.504 0.000 0.216 239 D C 1.909 178.214 176.300 0.009 0.000 0.968 239 D CA 0.562 54.565 54.000 0.004 0.000 0.899 239 D CB -0.037 40.763 40.800 0.001 0.000 0.907 239 D HN 0.190 nan 8.370 nan 0.000 0.514 240 L N 0.488 121.716 121.223 0.007 0.000 2.201 240 L HA -0.173 3.864 4.340 -0.504 0.000 0.212 240 L C 2.396 179.276 176.870 0.018 0.000 1.105 240 L CA 0.874 55.721 54.840 0.012 0.000 0.775 240 L CB -0.055 42.007 42.059 0.004 0.000 0.913 240 L HN -0.067 nan 8.230 nan 0.000 0.440 241 E N 0.517 120.725 120.200 0.014 0.000 2.076 241 E HA -0.132 3.916 4.350 -0.504 0.000 0.190 241 E C 2.039 178.648 176.600 0.015 0.000 0.979 241 E CA 1.441 57.850 56.400 0.014 0.000 0.807 241 E CB -0.023 29.684 29.700 0.012 0.000 0.761 241 E HN 0.304 nan 8.360 nan 0.000 0.454 242 A N -0.061 122.768 122.820 0.015 0.000 2.014 242 A HA 0.057 4.074 4.320 -0.504 0.000 0.218 242 A C 2.018 179.614 177.584 0.020 0.000 1.163 242 A CA 1.142 53.188 52.037 0.013 0.000 0.652 242 A CB -0.211 18.795 19.000 0.011 0.000 0.808 242 A HN 0.325 nan 8.150 nan 0.000 0.449 243 L N -2.043 119.199 121.223 0.032 0.000 2.672 243 L HA 0.173 4.211 4.340 -0.504 0.000 0.236 243 L C 1.398 178.328 176.870 0.100 0.000 1.092 243 L CA 0.053 54.926 54.840 0.055 0.000 0.887 243 L CB 0.834 42.925 42.059 0.053 0.000 1.168 243 L HN 0.155 nan 8.230 nan 0.000 0.502 244 V N -2.054 117.914 119.914 0.089 0.000 3.165 244 V HA 0.052 3.870 4.120 -0.504 0.000 0.231 244 V C 1.983 178.126 176.094 0.083 0.000 1.365 244 V CA 0.110 62.495 62.300 0.140 0.000 1.286 244 V CB 0.481 32.377 31.823 0.120 0.000 1.081 244 V HN 0.102 nan 8.190 nan 0.000 0.477 245 M N 0.609 120.236 119.600 0.044 0.000 2.108 245 M HA -0.076 4.101 4.480 -0.504 0.000 0.261 245 M C -0.237 176.072 176.300 0.015 0.000 1.066 245 M CA 1.975 57.290 55.300 0.026 0.000 1.107 245 M CB -2.317 30.295 32.600 0.019 0.000 1.356 245 M HN 0.246 nan 8.290 nan 0.000 0.406 246 P HA -0.081 nan 4.420 nan 0.000 0.215 246 P C 1.531 178.815 177.300 -0.026 0.000 1.157 246 P CA 1.528 64.622 63.100 -0.011 0.000 0.863 246 P CB -0.331 31.356 31.700 -0.022 0.000 0.787 247 T N 0.012 114.536 114.554 -0.049 0.000 2.746 247 T HA -0.124 3.924 4.350 -0.504 0.000 0.267 247 T C 1.763 176.451 174.700 -0.020 0.000 1.039 247 T CA 0.870 62.914 62.100 -0.094 0.000 1.142 247 T CB -0.952 67.762 68.868 -0.256 0.000 0.866 247 T HN 0.046 nan 8.240 nan 0.000 0.444 248 L N 0.399 121.639 121.223 0.029 0.000 2.083 248 L HA -0.088 3.949 4.340 -0.504 0.000 0.209 248 L C 2.785 179.663 176.870 0.014 0.000 1.083 248 L CA 1.438 56.295 54.840 0.029 0.000 0.752 248 L CB -0.151 41.916 42.059 0.014 0.000 0.899 248 L HN 0.183 nan 8.230 nan 0.000 0.433 249 R N -1.080 119.427 120.500 0.013 0.000 2.093 249 R HA -0.152 3.885 4.340 -0.504 0.000 0.224 249 R C 2.207 178.519 176.300 0.019 0.000 1.101 249 R CA 0.979 57.092 56.100 0.021 0.000 0.979 249 R CB -0.259 30.054 30.300 0.021 0.000 0.877 249 R HN 0.473 nan 8.270 nan 0.000 0.441 250 Q N 0.824 120.626 119.800 0.003 0.000 2.050 250 Q HA -0.171 3.867 4.340 -0.504 0.000 0.202 250 Q C 1.999 178.003 176.000 0.007 0.000 0.980 250 Q CA 1.809 57.610 55.803 -0.003 0.000 0.840 250 Q CB -0.060 28.662 28.738 -0.028 0.000 0.898 250 Q HN 0.326 nan 8.270 nan 0.000 0.424 251 A N 1.019 123.844 122.820 0.009 0.000 1.892 251 A HA -0.189 3.828 4.320 -0.504 0.000 0.218 251 A C 2.328 179.938 177.584 0.044 0.000 1.188 251 A CA 2.139 54.191 52.037 0.025 0.000 0.631 251 A CB -1.079 17.942 19.000 0.034 0.000 0.822 251 A HN 0.567 nan 8.150 nan 0.000 0.447 252 A N -0.512 122.340 122.820 0.053 0.000 1.978 252 A HA -0.158 3.859 4.320 -0.504 0.000 0.220 252 A C 1.773 179.399 177.584 0.070 0.000 1.170 252 A CA 1.712 53.798 52.037 0.080 0.000 0.636 252 A CB -0.414 18.645 19.000 0.098 0.000 0.810 252 A HN 0.656 nan 8.150 nan 0.000 0.448 253 E N 0.013 120.244 120.200 0.051 0.000 2.463 253 E HA 0.035 4.082 4.350 -0.504 0.000 0.193 253 E C -0.193 176.431 176.600 0.040 0.000 1.041 253 E CA -0.421 56.006 56.400 0.045 0.000 0.879 253 E CB 0.167 29.888 29.700 0.035 0.000 0.997 253 E HN 0.533 nan 8.360 nan 0.000 0.478 254 D N 1.322 121.745 120.400 0.039 0.000 2.478 254 D HA -0.092 4.245 4.640 -0.504 0.000 0.234 254 D C 1.057 177.379 176.300 0.037 0.000 1.154 254 D CA 0.334 54.351 54.000 0.028 0.000 0.874 254 D CB 0.928 41.741 40.800 0.021 0.000 1.198 254 D HN -0.155 nan 8.370 nan 0.000 0.455 255 K N 0.874 121.290 120.400 0.027 0.000 2.097 255 K HA -0.091 3.927 4.320 -0.504 0.000 0.206 255 K C 0.854 177.486 176.600 0.053 0.000 1.049 255 K CA 0.474 56.783 56.287 0.036 0.000 0.933 255 K CB -0.451 32.063 32.500 0.023 0.000 0.717 255 K HN 0.455 nan 8.250 nan 0.000 0.442 256 S N 1.158 116.872 115.700 0.022 0.000 2.480 256 S HA 0.129 4.296 4.470 -0.504 0.000 0.286 256 S C 1.255 175.855 174.600 -0.001 0.000 1.180 256 S CA -0.953 57.243 58.200 -0.007 0.000 1.075 256 S CB 0.577 63.712 63.200 -0.110 0.000 0.996 256 S HN 0.425 nan 8.310 nan 0.000 0.487 257 W N 4.974 126.302 121.300 0.046 0.000 2.359 257 W HA -0.175 4.182 4.660 -0.504 0.000 0.275 257 W C 1.099 177.683 176.519 0.107 0.000 1.217 257 W CA 0.633 58.020 57.345 0.070 0.000 1.196 257 W CB -0.716 28.778 29.460 0.056 0.000 1.129 257 W HN 0.723 nan 8.180 nan 0.000 0.566 258 R N 0.970 120.923 120.500 -0.911 0.000 2.066 258 R HA -0.110 3.928 4.340 -0.504 0.000 0.232 258 R C 2.536 178.701 176.300 -0.224 0.000 1.131 258 R CA 2.128 57.713 56.100 -0.858 0.000 0.955 258 R CB -0.802 28.984 30.300 -0.856 0.000 0.851 258 R HN 0.063 nan 8.270 nan 0.000 0.432 259 V N 1.122 120.953 119.914 -0.139 0.000 2.295 259 V HA -0.265 3.553 4.120 -0.504 0.000 0.246 259 V C 2.251 178.380 176.094 0.059 0.000 1.049 259 V CA 1.805 64.094 62.300 -0.017 0.000 1.024 259 V CB -0.509 31.305 31.823 -0.016 0.000 0.648 259 V HN 0.308 nan 8.190 nan 0.000 0.447 260 R N -1.207 119.346 120.500 0.088 0.000 2.120 260 R HA -0.204 3.833 4.340 -0.504 0.000 0.234 260 R C 2.299 178.705 176.300 0.177 0.000 1.123 260 R CA 1.932 58.114 56.100 0.137 0.000 0.975 260 R CB -0.568 29.827 30.300 0.157 0.000 0.866 260 R HN 0.650 nan 8.270 nan 0.000 0.446 261 Y N 1.210 121.587 120.300 0.129 0.000 2.128 261 Y HA -0.244 4.003 4.550 -0.505 0.000 0.284 261 Y C 2.220 178.193 175.900 0.122 0.000 1.154 261 Y CA 1.595 59.797 58.100 0.169 0.000 1.149 261 Y CB -0.051 38.536 38.460 0.211 0.000 0.976 261 Y HN -0.093 nan 8.280 nan 0.000 0.505 262 M N -0.763 118.964 119.600 0.213 0.000 2.358 262 M HA -0.168 4.009 4.480 -0.504 0.000 0.264 262 M C 2.005 178.332 176.300 0.046 0.000 1.064 262 M CA 0.944 56.319 55.300 0.126 0.000 1.093 262 M CB -1.130 31.551 32.600 0.135 0.000 1.401 262 M HN 0.264 nan 8.290 nan 0.000 0.440 263 V N 0.098 120.049 119.914 0.062 0.000 2.346 263 V HA -0.152 3.665 4.120 -0.504 0.000 0.244 263 V C 2.680 178.892 176.094 0.196 0.000 1.037 263 V CA 1.618 63.974 62.300 0.094 0.000 1.029 263 V CB -1.278 30.616 31.823 0.118 0.000 0.663 263 V HN 0.449 nan 8.190 nan 0.000 0.454 264 A N 0.204 123.104 122.820 0.134 0.000 1.883 264 A HA -0.334 3.683 4.320 -0.504 0.000 0.217 264 A C 2.027 179.641 177.584 0.051 0.000 1.186 264 A CA 2.447 54.557 52.037 0.121 0.000 0.624 264 A CB -0.818 18.147 19.000 -0.059 0.000 0.822 264 A HN 0.589 nan 8.150 nan 0.000 0.444 265 D N -0.765 119.535 120.400 -0.166 0.000 2.178 265 D HA -0.070 4.267 4.640 -0.504 0.000 0.202 265 D C 1.352 177.661 176.300 0.014 0.000 0.974 265 D CA 1.094 55.010 54.000 -0.139 0.000 0.841 265 D CB 0.006 40.653 40.800 -0.254 0.000 0.953 265 D HN 0.430 nan 8.370 nan 0.000 0.478 266 K N -0.646 119.778 120.400 0.040 0.000 2.570 266 K HA 0.067 4.084 4.320 -0.504 0.000 0.210 266 K C 0.552 177.178 176.600 0.043 0.000 1.048 266 K CA -0.389 55.923 56.287 0.041 0.000 1.167 266 K CB 0.253 32.764 32.500 0.019 0.000 0.892 266 K HN 0.166 nan 8.250 nan 0.000 0.480 267 F N 2.455 122.381 119.950 -0.040 0.000 2.060 267 F HA -0.234 3.990 4.527 -0.504 0.000 0.295 267 F C 2.567 178.308 175.800 -0.099 0.000 1.120 267 F CA 2.145 60.095 58.000 -0.084 0.000 1.205 267 F CB -0.383 38.547 39.000 -0.117 0.000 0.986 267 F HN 0.104 nan 8.300 nan 0.000 0.470 268 T N -2.081 112.597 114.554 0.208 0.000 2.918 268 T HA -0.210 3.838 4.350 -0.504 0.000 0.271 268 T C 1.454 176.202 174.700 0.080 0.000 1.104 268 T CA 1.738 63.935 62.100 0.161 0.000 1.114 268 T CB -0.600 68.354 68.868 0.144 0.000 0.855 268 T HN 0.483 nan 8.240 nan 0.000 0.518 269 E N 0.702 120.920 120.200 0.030 0.000 2.190 269 E HA 0.182 4.229 4.350 -0.504 0.000 0.191 269 E C 2.157 178.730 176.600 -0.045 0.000 0.978 269 E CA 0.254 56.653 56.400 -0.001 0.000 0.839 269 E CB -0.211 29.488 29.700 -0.002 0.000 0.787 269 E HN 0.412 nan 8.360 nan 0.000 0.473 270 L N 1.875 123.031 121.223 -0.112 0.000 2.012 270 L HA -0.290 3.747 4.340 -0.504 0.000 0.210 270 L C 3.011 179.799 176.870 -0.138 0.000 1.073 270 L CA 1.917 56.649 54.840 -0.180 0.000 0.748 270 L CB -0.597 41.234 42.059 -0.380 0.000 0.891 270 L HN 0.208 nan 8.230 nan 0.000 0.431 271 Q N 0.656 120.389 119.800 -0.110 0.000 2.014 271 Q HA -0.302 3.735 4.340 -0.504 0.000 0.207 271 Q C 2.049 178.054 176.000 0.008 0.000 0.993 271 Q CA 1.992 57.796 55.803 0.001 0.000 0.850 271 Q CB -0.399 28.439 28.738 0.166 0.000 0.916 271 Q HN 0.357 nan 8.270 nan 0.000 0.417 272 K N 0.282 120.690 120.400 0.013 0.000 2.286 272 K HA -0.143 3.874 4.320 -0.504 0.000 0.203 272 K C 2.007 178.600 176.600 -0.011 0.000 1.045 272 K CA 1.203 57.493 56.287 0.005 0.000 0.935 272 K CB -0.159 32.346 32.500 0.008 0.000 0.737 272 K HN 0.445 nan 8.250 nan 0.000 0.460 273 A N 0.598 123.403 122.820 -0.026 0.000 1.903 273 A HA -0.055 3.962 4.320 -0.504 0.000 0.213 273 A C 2.275 179.840 177.584 -0.030 0.000 1.185 273 A CA 1.109 53.126 52.037 -0.034 0.000 0.628 273 A CB -0.431 18.539 19.000 -0.050 0.000 0.830 273 A HN 0.147 nan 8.150 nan 0.000 0.446 274 V N -2.808 117.088 119.914 -0.030 0.000 2.249 274 V HA 0.534 4.351 4.120 -0.504 0.000 0.239 274 V C 1.113 177.201 176.094 -0.010 0.000 1.038 274 V CA 1.020 63.306 62.300 -0.022 0.000 1.005 274 V CB -1.243 30.564 31.823 -0.027 0.000 0.646 274 V HN 1.190 nan 8.190 nan 0.000 0.455 275 G N -1.347 107.452 108.800 -0.002 0.000 2.377 275 G HA2 0.432 4.090 3.960 -0.504 0.000 0.297 275 G HA3 0.432 4.090 3.960 -0.504 0.000 0.297 275 G C -2.694 172.212 174.900 0.010 0.000 1.547 275 G CA 0.086 45.188 45.100 0.002 0.000 0.833 275 G HN 0.162 nan 8.290 nan 0.000 0.583 276 P HA -0.019 nan 4.420 nan 0.000 0.218 276 P C 1.126 178.431 177.300 0.008 0.000 1.149 276 P CA 1.181 64.281 63.100 0.001 0.000 0.817 276 P CB 0.592 32.286 31.700 -0.009 0.000 0.785 277 E N -0.157 120.049 120.200 0.010 0.000 2.051 277 E HA -0.005 4.042 4.350 -0.504 0.000 0.189 277 E C 2.135 178.751 176.600 0.026 0.000 0.979 277 E CA 0.648 57.056 56.400 0.015 0.000 0.803 277 E CB -0.966 28.740 29.700 0.010 0.000 0.761 277 E HN 0.162 nan 8.360 nan 0.000 0.451 278 I N 0.663 121.247 120.570 0.024 0.000 2.335 278 I HA -0.286 3.581 4.170 -0.504 0.000 0.251 278 I C 1.946 178.093 176.117 0.051 0.000 1.129 278 I CA 1.157 62.474 61.300 0.030 0.000 1.402 278 I CB -0.450 37.560 38.000 0.017 0.000 1.069 278 I HN 0.146 nan 8.210 nan 0.000 0.424 279 T N 0.658 115.250 114.554 0.062 0.000 2.622 279 T HA -0.275 3.772 4.350 -0.504 0.000 0.266 279 T C 1.986 176.773 174.700 0.145 0.000 1.047 279 T CA 1.591 63.765 62.100 0.122 0.000 1.159 279 T CB -0.256 68.700 68.868 0.145 0.000 0.863 279 T HN 0.314 nan 8.240 nan 0.000 0.422 280 K N 0.257 120.714 120.400 0.095 0.000 2.103 280 K HA -0.140 3.877 4.320 -0.504 0.000 0.207 280 K C 2.350 179.000 176.600 0.084 0.000 1.048 280 K CA 1.508 57.845 56.287 0.084 0.000 0.930 280 K CB -0.307 32.217 32.500 0.040 0.000 0.716 280 K HN 0.281 nan 8.250 nan 0.000 0.444 281 T N 0.903 115.498 114.554 0.068 0.000 2.701 281 T HA -0.089 3.958 4.350 -0.504 0.000 0.263 281 T C 1.200 175.943 174.700 0.071 0.000 1.040 281 T CA 1.506 63.640 62.100 0.058 0.000 1.147 281 T CB -0.028 68.864 68.868 0.042 0.000 0.865 281 T HN 0.318 nan 8.240 nan 0.000 0.426 282 D N -0.334 120.114 120.400 0.080 0.000 2.597 282 D HA 0.254 4.591 4.640 -0.504 0.000 0.261 282 D C 2.176 178.548 176.300 0.121 0.000 1.023 282 D CA 0.136 54.184 54.000 0.081 0.000 0.927 282 D CB 0.283 41.114 40.800 0.051 0.000 1.168 282 D HN 0.229 nan 8.370 nan 0.000 0.491 283 L N 1.090 122.403 121.223 0.150 0.000 2.023 283 L HA -0.089 3.949 4.340 -0.504 0.000 0.205 283 L C 2.590 179.685 176.870 0.374 0.000 1.073 283 L CA 0.613 55.599 54.840 0.243 0.000 0.745 283 L CB -0.415 41.753 42.059 0.182 0.000 0.900 283 L HN -0.128 nan 8.230 nan 0.000 0.435 284 V N 0.328 120.464 119.914 0.369 0.000 2.277 284 V HA -0.246 3.571 4.120 -0.504 0.000 0.253 284 V C -0.288 175.973 176.094 0.279 0.000 1.067 284 V CA 2.314 64.845 62.300 0.384 0.000 1.047 284 V CB -1.964 30.040 31.823 0.302 0.000 0.649 284 V HN 0.383 nan 8.190 nan 0.000 0.447 285 P HA -0.026 nan 4.420 nan 0.000 0.221 285 P C 1.548 178.938 177.300 0.151 0.000 1.150 285 P CA 1.705 64.894 63.100 0.148 0.000 0.800 285 P CB -0.099 31.667 31.700 0.110 0.000 0.787 286 A N -1.419 121.527 122.820 0.211 0.000 1.970 286 A HA -0.113 3.904 4.320 -0.504 0.000 0.216 286 A C 1.985 179.698 177.584 0.215 0.000 1.170 286 A CA 0.780 52.949 52.037 0.219 0.000 0.645 286 A CB -1.665 17.498 19.000 0.272 0.000 0.816 286 A HN 0.074 nan 8.150 nan 0.000 0.447 287 F N 1.167 121.104 119.950 -0.021 0.000 2.134 287 F HA -0.183 4.040 4.527 -0.505 0.000 0.299 287 F C 2.492 178.162 175.800 -0.216 0.000 1.097 287 F CA 1.993 59.750 58.000 -0.405 0.000 1.264 287 F CB -0.450 38.114 39.000 -0.728 0.000 1.001 287 F HN 0.336 nan 8.300 nan 0.000 0.479 288 Q N -0.200 119.569 119.800 -0.051 0.000 2.197 288 Q HA -0.225 3.812 4.340 -0.504 0.000 0.207 288 Q C 1.696 177.623 176.000 -0.122 0.000 0.984 288 Q CA 1.536 57.279 55.803 -0.100 0.000 0.869 288 Q CB -0.419 28.324 28.738 0.009 0.000 0.906 288 Q HN 0.515 nan 8.270 nan 0.000 0.426 289 N N 0.355 119.012 118.700 -0.072 0.000 2.333 289 N HA -0.012 4.426 4.740 -0.504 0.000 0.178 289 N C 1.889 177.351 175.510 -0.080 0.000 1.018 289 N CA 0.612 53.634 53.050 -0.046 0.000 0.882 289 N CB 0.013 38.505 38.487 0.008 0.000 0.984 289 N HN 0.226 nan 8.380 nan 0.000 0.434 290 L N 1.042 122.185 121.223 -0.133 0.000 2.027 290 L HA 0.007 4.045 4.340 -0.504 0.000 0.206 290 L C 2.243 178.966 176.870 -0.246 0.000 1.074 290 L CA 0.882 55.624 54.840 -0.164 0.000 0.745 290 L CB -0.377 41.562 42.059 -0.200 0.000 0.898 290 L HN 0.093 nan 8.230 nan 0.000 0.433 291 M N -0.540 118.820 119.600 -0.400 0.000 2.623 291 M HA -0.207 3.970 4.480 -0.504 0.000 0.258 291 M C 1.289 177.477 176.300 -0.188 0.000 1.067 291 M CA 1.563 56.652 55.300 -0.351 0.000 1.068 291 M CB -0.346 32.000 32.600 -0.423 0.000 1.409 291 M HN 0.219 nan 8.290 nan 0.000 0.504 292 K N -0.876 119.442 120.400 -0.137 0.000 2.438 292 K HA 0.108 4.126 4.320 -0.504 0.000 0.206 292 K C 0.140 176.708 176.600 -0.053 0.000 1.081 292 K CA -0.223 56.014 56.287 -0.082 0.000 1.053 292 K CB 0.686 33.147 32.500 -0.064 0.000 0.908 292 K HN 0.180 nan 8.250 nan 0.000 0.556 293 D N 1.228 121.599 120.400 -0.048 0.000 2.548 293 D HA -0.119 4.219 4.640 -0.504 0.000 0.231 293 D C 1.309 177.601 176.300 -0.012 0.000 1.142 293 D CA 0.241 54.236 54.000 -0.008 0.000 0.866 293 D CB 1.007 41.821 40.800 0.022 0.000 1.190 293 D HN 0.327 nan 8.370 nan 0.000 0.469 294 C N 2.775 122.076 119.300 0.001 0.000 2.437 294 C HA 0.074 4.232 4.460 -0.504 0.000 0.283 294 C C 0.877 175.840 174.990 -0.045 0.000 1.424 294 C CA -0.193 58.815 59.018 -0.017 0.000 1.782 294 C CB -0.773 26.965 27.740 -0.004 0.000 1.833 294 C HN 0.504 nan 8.230 nan 0.000 0.532 295 E N -0.042 120.134 120.200 -0.041 0.000 2.134 295 E HA 0.591 4.638 4.350 -0.504 0.000 0.278 295 E C 1.021 177.553 176.600 -0.113 0.000 0.959 295 E CA 0.412 56.734 56.400 -0.129 0.000 0.783 295 E CB 1.524 31.100 29.700 -0.206 0.000 1.095 295 E HN 0.334 nan 8.360 nan 0.000 0.399 296 A N 4.096 126.823 122.820 -0.154 0.000 1.958 296 A HA -0.291 3.727 4.320 -0.504 0.000 0.221 296 A C 1.531 179.083 177.584 -0.054 0.000 1.178 296 A CA 2.087 54.055 52.037 -0.114 0.000 0.642 296 A CB -0.436 18.472 19.000 -0.155 0.000 0.816 296 A HN 0.708 nan 8.150 nan 0.000 0.453 297 E N -0.592 119.569 120.200 -0.065 0.000 2.208 297 E HA -0.025 4.022 4.350 -0.504 0.000 0.193 297 E C 1.871 178.639 176.600 0.280 0.000 0.988 297 E CA 1.001 57.466 56.400 0.108 0.000 0.828 297 E CB -0.305 29.434 29.700 0.065 0.000 0.763 297 E HN 0.424 nan 8.360 nan 0.000 0.478 298 V N 0.514 120.562 119.914 0.224 0.000 2.379 298 V HA -0.169 3.648 4.120 -0.504 0.000 0.245 298 V C 2.189 178.308 176.094 0.042 0.000 1.044 298 V CA 1.529 63.942 62.300 0.187 0.000 1.036 298 V CB -0.405 31.533 31.823 0.192 0.000 0.664 298 V HN 0.088 nan 8.190 nan 0.000 0.453 299 R N 0.448 120.951 120.500 0.005 0.000 2.094 299 R HA -0.199 3.838 4.340 -0.504 0.000 0.239 299 R C 2.453 178.728 176.300 -0.042 0.000 1.137 299 R CA 1.905 57.972 56.100 -0.055 0.000 0.943 299 R CB -0.807 29.459 30.300 -0.056 0.000 0.850 299 R HN 0.530 nan 8.270 nan 0.000 0.433 300 A N 0.513 123.347 122.820 0.023 0.000 1.908 300 A HA -0.194 3.823 4.320 -0.504 0.000 0.218 300 A C 2.319 179.990 177.584 0.144 0.000 1.181 300 A CA 1.949 54.023 52.037 0.062 0.000 0.627 300 A CB -0.905 18.185 19.000 0.150 0.000 0.818 300 A HN 0.478 nan 8.150 nan 0.000 0.445 301 A N -0.471 122.439 122.820 0.150 0.000 1.933 301 A HA 0.200 4.218 4.320 -0.504 0.000 0.218 301 A C 2.428 180.054 177.584 0.070 0.000 1.175 301 A CA 1.977 54.077 52.037 0.105 0.000 0.628 301 A CB -0.820 18.052 19.000 -0.213 0.000 0.814 301 A HN 1.078 nan 8.150 nan 0.000 0.444 302 A N -0.984 121.818 122.820 -0.031 0.000 2.016 302 A HA 0.088 4.105 4.320 -0.504 0.000 0.217 302 A C 2.354 179.914 177.584 -0.041 0.000 1.162 302 A CA 1.579 53.552 52.037 -0.105 0.000 0.662 302 A CB -0.552 18.189 19.000 -0.433 0.000 0.812 302 A HN 0.412 nan 8.150 nan 0.000 0.450 303 S N -0.465 115.200 115.700 -0.058 0.000 2.348 303 S HA -0.165 4.002 4.470 -0.504 0.000 0.221 303 S C 1.728 176.331 174.600 0.005 0.000 1.033 303 S CA 1.653 59.812 58.200 -0.069 0.000 1.010 303 S CB -0.569 62.539 63.200 -0.154 0.000 0.891 303 S HN 0.792 nan 8.310 nan 0.000 0.442 304 H N 1.303 120.412 119.070 0.066 0.000 2.466 304 H HA -0.041 4.212 4.556 -0.505 0.000 0.297 304 H C 1.909 177.299 175.328 0.104 0.000 1.113 304 H CA 1.275 57.370 56.048 0.078 0.000 1.273 304 H CB 0.121 29.926 29.762 0.071 0.000 1.371 304 H HN 0.120 nan 8.280 nan 0.000 0.528 305 K N 0.130 120.681 120.400 0.252 0.000 2.314 305 K HA 0.020 4.037 4.320 -0.504 0.000 0.198 305 K C 2.149 178.902 176.600 0.256 0.000 1.045 305 K CA 0.311 56.736 56.287 0.230 0.000 0.988 305 K CB -0.061 32.564 32.500 0.208 0.000 0.783 305 K HN 0.168 nan 8.250 nan 0.000 0.484 306 V N 2.397 122.505 119.914 0.324 0.000 2.250 306 V HA -0.340 3.477 4.120 -0.504 0.000 0.253 306 V C 2.617 178.845 176.094 0.224 0.000 1.065 306 V CA 2.321 64.829 62.300 0.346 0.000 1.039 306 V CB -0.473 31.492 31.823 0.236 0.000 0.647 306 V HN 0.402 nan 8.190 nan 0.000 0.446 307 K N -0.261 120.228 120.400 0.148 0.000 2.025 307 K HA -0.220 3.797 4.320 -0.504 0.000 0.207 307 K C 2.269 178.916 176.600 0.079 0.000 1.049 307 K CA 1.864 58.206 56.287 0.091 0.000 0.933 307 K CB -0.234 32.308 32.500 0.069 0.000 0.714 307 K HN 0.550 nan 8.250 nan 0.000 0.438 308 E N -0.475 119.789 120.200 0.106 0.000 2.153 308 E HA -0.198 3.850 4.350 -0.504 0.000 0.194 308 E C 1.778 178.440 176.600 0.103 0.000 0.988 308 E CA 1.026 57.482 56.400 0.094 0.000 0.811 308 E CB -0.088 29.677 29.700 0.108 0.000 0.746 308 E HN 0.371 nan 8.360 nan 0.000 0.466 309 F N 0.370 120.283 119.950 -0.062 0.000 2.149 309 F HA -0.096 4.127 4.527 -0.505 0.000 0.294 309 F C 2.186 177.924 175.800 -0.103 0.000 1.095 309 F CA 0.935 58.855 58.000 -0.133 0.000 1.276 309 F CB -0.667 38.111 39.000 -0.369 0.000 1.023 309 F HN 0.063 nan 8.300 nan 0.000 0.480 310 C N 0.805 119.906 119.300 -0.331 0.000 2.413 310 C HA -0.187 3.971 4.460 -0.504 0.000 0.276 310 C C 2.738 177.587 174.990 -0.234 0.000 1.248 310 C CA 1.452 60.256 59.018 -0.356 0.000 1.742 310 C CB -1.298 26.366 27.740 -0.127 0.000 2.017 310 C HN 0.633 nan 8.230 nan 0.000 0.481 311 E N 1.069 121.195 120.200 -0.124 0.000 2.097 311 E HA -0.230 3.817 4.350 -0.504 0.000 0.196 311 E C 1.350 177.890 176.600 -0.100 0.000 1.000 311 E CA 1.480 57.831 56.400 -0.081 0.000 0.804 311 E CB -0.070 29.611 29.700 -0.032 0.000 0.740 311 E HN 0.588 nan 8.360 nan 0.000 0.454 312 N N -0.121 118.506 118.700 -0.122 0.000 2.412 312 N HA 0.078 4.515 4.740 -0.504 0.000 0.184 312 N C -0.051 175.378 175.510 -0.134 0.000 1.101 312 N CA 0.121 53.114 53.050 -0.094 0.000 0.881 312 N CB 0.051 38.521 38.487 -0.028 0.000 0.969 312 N HN 0.108 nan 8.380 nan 0.000 0.459 313 L N 1.019 122.099 121.223 -0.238 0.000 2.503 313 L HA -0.031 4.006 4.340 -0.504 0.000 0.287 313 L C 0.964 177.765 176.870 -0.115 0.000 1.252 313 L CA -0.145 54.571 54.840 -0.208 0.000 0.835 313 L CB 0.089 41.989 42.059 -0.265 0.000 1.099 313 L HN 0.145 nan 8.230 nan 0.000 0.516 314 S N 1.108 116.759 115.700 -0.081 0.000 2.579 314 S HA 0.211 4.378 4.470 -0.504 0.000 0.275 314 S C 1.173 175.743 174.600 -0.050 0.000 1.345 314 S CA -0.327 57.842 58.200 -0.052 0.000 1.031 314 S CB 1.363 64.542 63.200 -0.035 0.000 0.892 314 S HN 0.725 nan 8.310 nan 0.000 0.529 315 A N 1.821 124.618 122.820 -0.038 0.000 1.971 315 A HA -0.222 3.795 4.320 -0.504 0.000 0.222 315 A C 1.652 179.218 177.584 -0.030 0.000 1.182 315 A CA 2.343 54.361 52.037 -0.033 0.000 0.649 315 A CB -1.303 17.682 19.000 -0.025 0.000 0.818 315 A HN 0.953 nan 8.150 nan 0.000 0.458 316 D N -0.583 119.801 120.400 -0.027 0.000 1.966 316 D HA -0.101 4.237 4.640 -0.504 0.000 0.256 316 D C 1.540 177.825 176.300 -0.024 0.000 0.991 316 D CA 1.746 55.733 54.000 -0.021 0.000 0.928 316 D CB -0.350 40.440 40.800 -0.017 0.000 1.166 316 D HN 0.603 nan 8.370 nan 0.000 0.469 317 C N 2.310 121.596 119.300 -0.024 0.000 4.060 317 C HA 0.193 4.350 4.460 -0.504 0.000 0.570 317 C C 1.522 176.486 174.990 -0.043 0.000 1.106 317 C CA -0.478 58.524 59.018 -0.026 0.000 1.105 317 C CB -2.030 25.697 27.740 -0.021 0.000 1.358 317 C HN 0.224 nan 8.230 nan 0.000 0.644 318 R N 0.824 121.298 120.500 -0.045 0.000 2.040 318 R HA 0.050 4.087 4.340 -0.504 0.000 0.209 318 R C 2.276 178.545 176.300 -0.052 0.000 1.281 318 R CA 0.635 56.697 56.100 -0.063 0.000 1.064 318 R CB -0.257 30.007 30.300 -0.060 0.000 0.950 318 R HN 0.643 nan 8.270 nan 0.000 0.462 319 E N 0.891 121.071 120.200 -0.033 0.000 2.097 319 E HA -0.237 3.810 4.350 -0.504 0.000 0.196 319 E C 1.804 178.395 176.600 -0.015 0.000 1.000 319 E CA 1.163 57.553 56.400 -0.018 0.000 0.804 319 E CB -0.217 29.480 29.700 -0.004 0.000 0.740 319 E HN 0.340 nan 8.360 nan 0.000 0.454 320 N N 0.943 119.633 118.700 -0.016 0.000 2.025 320 N HA -0.156 4.282 4.740 -0.504 0.000 0.194 320 N C 1.976 177.475 175.510 -0.018 0.000 1.044 320 N CA 1.395 54.436 53.050 -0.014 0.000 0.851 320 N CB -0.113 38.367 38.487 -0.011 0.000 1.036 320 N HN -0.008 nan 8.380 nan 0.000 0.422 321 V N 1.851 121.750 119.914 -0.025 0.000 2.392 321 V HA -0.219 3.599 4.120 -0.504 0.000 0.249 321 V C 2.369 178.454 176.094 -0.015 0.000 1.059 321 V CA 1.397 63.685 62.300 -0.020 0.000 1.051 321 V CB -0.415 31.383 31.823 -0.041 0.000 0.658 321 V HN 0.281 nan 8.190 nan 0.000 0.455 322 I N -1.177 119.374 120.570 -0.031 0.000 2.202 322 I HA -0.269 3.598 4.170 -0.504 0.000 0.242 322 I C 2.474 178.587 176.117 -0.008 0.000 1.091 322 I CA 1.714 63.005 61.300 -0.014 0.000 1.368 322 I CB -0.450 37.537 38.000 -0.022 0.000 1.058 322 I HN 0.246 nan 8.210 nan 0.000 0.410 323 M N 0.225 119.812 119.600 -0.021 0.000 2.080 323 M HA -0.231 3.946 4.480 -0.504 0.000 0.260 323 M C 2.409 178.667 176.300 -0.070 0.000 1.068 323 M CA 2.181 57.447 55.300 -0.057 0.000 1.109 323 M CB -0.387 32.182 32.600 -0.051 0.000 1.342 323 M HN 0.244 nan 8.290 nan 0.000 0.405 324 T N -1.675 112.857 114.554 -0.037 0.000 2.976 324 T HA -0.014 4.033 4.350 -0.504 0.000 0.257 324 T C 1.713 176.411 174.700 -0.004 0.000 1.051 324 T CA 0.850 62.933 62.100 -0.028 0.000 1.141 324 T CB 0.177 69.035 68.868 -0.016 0.000 0.881 324 T HN 0.289 nan 8.240 nan 0.000 0.461 325 Q N 0.038 119.849 119.800 0.018 0.000 2.389 325 Q HA 0.304 4.341 4.340 -0.504 0.000 0.201 325 Q C 2.305 178.348 176.000 0.072 0.000 0.956 325 Q CA 0.712 56.545 55.803 0.052 0.000 0.871 325 Q CB -0.441 28.345 28.738 0.080 0.000 0.990 325 Q HN 0.456 nan 8.270 nan 0.000 0.554 326 I N 0.812 121.438 120.570 0.093 0.000 2.286 326 I HA -0.185 3.682 4.170 -0.504 0.000 0.245 326 I C 2.281 178.442 176.117 0.073 0.000 1.104 326 I CA 0.611 61.990 61.300 0.133 0.000 1.397 326 I CB -0.386 37.727 38.000 0.189 0.000 1.072 326 I HN 0.047 nan 8.210 nan 0.000 0.417 327 L N 0.741 121.989 121.223 0.041 0.000 2.042 327 L HA -0.166 3.871 4.340 -0.504 0.000 0.210 327 L C -0.358 176.517 176.870 0.008 0.000 1.076 327 L CA 2.283 57.136 54.840 0.021 0.000 0.749 327 L CB -1.468 40.588 42.059 -0.005 0.000 0.893 327 L HN 0.181 nan 8.230 nan 0.000 0.432 328 P HA -0.134 nan 4.420 nan 0.000 0.216 328 P C 1.745 179.041 177.300 -0.006 0.000 1.150 328 P CA 1.518 64.614 63.100 -0.007 0.000 0.837 328 P CB -0.235 31.460 31.700 -0.009 0.000 0.786 329 C N -1.033 118.263 119.300 -0.006 0.000 2.432 329 C HA -0.087 4.070 4.460 -0.504 0.000 0.277 329 C C 2.644 177.614 174.990 -0.033 0.000 1.249 329 C CA 0.254 59.255 59.018 -0.028 0.000 1.725 329 C CB -1.808 25.904 27.740 -0.047 0.000 2.028 329 C HN 0.164 nan 8.230 nan 0.000 0.477 330 I N 1.208 121.769 120.570 -0.015 0.000 2.118 330 I HA -0.304 3.563 4.170 -0.504 0.000 0.241 330 I C 2.666 178.779 176.117 -0.006 0.000 1.070 330 I CA 1.723 63.018 61.300 -0.008 0.000 1.327 330 I CB -0.535 37.477 38.000 0.020 0.000 1.034 330 I HN 0.388 nan 8.210 nan 0.000 0.405 331 K N 0.464 120.865 120.400 0.002 0.000 2.089 331 K HA -0.272 3.745 4.320 -0.504 0.000 0.210 331 K C 1.988 178.585 176.600 -0.007 0.000 1.048 331 K CA 2.002 58.291 56.287 0.003 0.000 0.926 331 K CB -0.236 32.267 32.500 0.005 0.000 0.714 331 K HN 0.475 nan 8.250 nan 0.000 0.448 332 E N 0.646 120.837 120.200 -0.016 0.000 2.047 332 E HA -0.145 3.902 4.350 -0.504 0.000 0.191 332 E C 2.153 178.737 176.600 -0.027 0.000 0.987 332 E CA 0.769 57.156 56.400 -0.022 0.000 0.799 332 E CB -0.092 29.591 29.700 -0.028 0.000 0.752 332 E HN 0.210 nan 8.360 nan 0.000 0.449 333 L N 0.849 122.051 121.223 -0.035 0.000 2.079 333 L HA -0.212 3.825 4.340 -0.504 0.000 0.210 333 L C 2.431 179.284 176.870 -0.028 0.000 1.081 333 L CA 0.722 55.537 54.840 -0.041 0.000 0.752 333 L CB -0.283 41.743 42.059 -0.055 0.000 0.896 333 L HN 0.069 nan 8.230 nan 0.000 0.433 334 V N -0.958 118.945 119.914 -0.017 0.000 2.546 334 V HA -0.296 3.521 4.120 -0.504 0.000 0.254 334 V C 2.035 178.121 176.094 -0.013 0.000 1.076 334 V CA 2.087 64.381 62.300 -0.010 0.000 1.087 334 V CB -0.380 31.443 31.823 0.001 0.000 0.674 334 V HN 0.444 nan 8.190 nan 0.000 0.470 335 S N -1.802 113.889 115.700 -0.016 0.000 2.556 335 S HA 0.083 4.250 4.470 -0.504 0.000 0.216 335 S C 0.617 175.206 174.600 -0.019 0.000 0.970 335 S CA -0.342 57.849 58.200 -0.016 0.000 0.912 335 S CB -0.220 62.971 63.200 -0.015 0.000 0.790 335 S HN 0.617 nan 8.310 nan 0.000 0.504 336 D N 2.026 122.413 120.400 -0.022 0.000 2.506 336 D HA 0.080 4.417 4.640 -0.504 0.000 0.234 336 D C 1.064 177.350 176.300 -0.022 0.000 1.143 336 D CA 0.186 54.170 54.000 -0.027 0.000 0.871 336 D CB 0.948 41.730 40.800 -0.031 0.000 1.190 336 D HN 0.233 nan 8.370 nan 0.000 0.459 337 A N 3.944 126.748 122.820 -0.027 0.000 2.168 337 A HA -0.133 3.884 4.320 -0.504 0.000 0.215 337 A C 1.013 178.581 177.584 -0.027 0.000 1.152 337 A CA 0.438 52.460 52.037 -0.026 0.000 0.716 337 A CB -0.213 18.768 19.000 -0.031 0.000 0.794 337 A HN 0.609 nan 8.150 nan 0.000 0.465 338 N N -0.383 118.300 118.700 -0.029 0.000 2.425 338 N HA 0.238 4.675 4.740 -0.504 0.000 0.268 338 N C 0.848 176.373 175.510 0.025 0.000 0.991 338 N CA -0.372 52.661 53.050 -0.029 0.000 0.931 338 N CB 0.660 39.110 38.487 -0.062 0.000 1.130 338 N HN 0.262 nan 8.380 nan 0.000 0.493 339 Q N 1.526 121.373 119.800 0.077 0.000 2.029 339 Q HA -0.270 3.768 4.340 -0.504 0.000 0.209 339 Q C 0.754 176.867 176.000 0.189 0.000 0.999 339 Q CA 1.942 57.834 55.803 0.148 0.000 0.857 339 Q CB -0.253 28.628 28.738 0.238 0.000 0.926 339 Q HN 0.795 nan 8.270 nan 0.000 0.415 340 H N -0.859 118.205 119.070 -0.011 0.000 2.421 340 H HA -0.071 4.184 4.556 -0.502 0.000 0.298 340 H C 2.272 177.593 175.328 -0.010 0.000 1.087 340 H CA 0.780 56.829 56.048 0.002 0.000 1.330 340 H CB 0.193 29.966 29.762 0.017 0.000 1.388 340 H HN 0.060 nan 8.280 nan 0.000 0.526 341 V N 1.739 121.716 119.914 0.104 0.000 2.237 341 V HA -0.254 3.563 4.120 -0.504 0.000 0.245 341 V C 2.247 178.329 176.094 -0.020 0.000 1.046 341 V CA 1.772 64.082 62.300 0.017 0.000 1.007 341 V CB -0.330 31.487 31.823 -0.011 0.000 0.638 341 V HN 0.396 nan 8.190 nan 0.000 0.445 342 K N 0.238 120.635 120.400 -0.005 0.000 2.074 342 K HA -0.192 3.825 4.320 -0.504 0.000 0.209 342 K C 2.334 178.920 176.600 -0.023 0.000 1.048 342 K CA 1.883 58.160 56.287 -0.015 0.000 0.926 342 K CB -0.474 32.023 32.500 -0.005 0.000 0.713 342 K HN 0.413 nan 8.250 nan 0.000 0.444 343 S N 1.257 116.949 115.700 -0.013 0.000 2.359 343 S HA -0.223 3.944 4.470 -0.504 0.000 0.223 343 S C 2.268 176.838 174.600 -0.050 0.000 1.039 343 S CA 1.464 59.652 58.200 -0.020 0.000 1.042 343 S CB -0.431 62.758 63.200 -0.018 0.000 0.915 343 S HN 0.493 nan 8.310 nan 0.000 0.439 344 A N 1.184 123.934 122.820 -0.118 0.000 1.908 344 A HA -0.083 3.934 4.320 -0.504 0.000 0.218 344 A C 2.162 179.591 177.584 -0.259 0.000 1.181 344 A CA 1.556 53.388 52.037 -0.343 0.000 0.627 344 A CB -0.737 17.819 19.000 -0.740 0.000 0.818 344 A HN 0.397 nan 8.150 nan 0.000 0.445 345 L N -0.266 120.865 121.223 -0.153 0.000 1.994 345 L HA -0.042 3.995 4.340 -0.504 0.000 0.208 345 L C 2.750 179.610 176.870 -0.017 0.000 1.071 345 L CA 2.260 57.057 54.840 -0.071 0.000 0.745 345 L CB -0.863 41.167 42.059 -0.047 0.000 0.892 345 L HN 0.344 nan 8.230 nan 0.000 0.431 346 A N -0.841 121.976 122.820 -0.005 0.000 1.986 346 A HA -0.276 3.741 4.320 -0.504 0.000 0.220 346 A C 2.432 180.044 177.584 0.045 0.000 1.171 346 A CA 2.262 54.319 52.037 0.033 0.000 0.640 346 A CB -1.207 17.806 19.000 0.022 0.000 0.811 346 A HN 0.701 nan 8.150 nan 0.000 0.451 347 S N -0.822 114.893 115.700 0.025 0.000 2.481 347 S HA 0.012 4.179 4.470 -0.504 0.000 0.231 347 S C 1.309 175.941 174.600 0.054 0.000 0.996 347 S CA 1.303 59.530 58.200 0.046 0.000 0.942 347 S CB -0.372 62.862 63.200 0.056 0.000 0.768 347 S HN 1.267 nan 8.310 nan 0.000 0.520 348 V N -2.596 117.345 119.914 0.044 0.000 3.411 348 V HA 0.453 4.271 4.120 -0.504 0.000 0.287 348 V C 1.590 177.710 176.094 0.043 0.000 1.543 348 V CA -0.010 62.320 62.300 0.051 0.000 1.028 348 V CB -0.650 31.215 31.823 0.070 0.000 0.840 348 V HN 0.366 nan 8.190 nan 0.000 0.435 349 I N 0.378 120.975 120.570 0.045 0.000 2.118 349 I HA -0.202 3.666 4.170 -0.504 0.000 0.241 349 I C 2.333 178.465 176.117 0.025 0.000 1.070 349 I CA 2.151 63.480 61.300 0.049 0.000 1.327 349 I CB 0.093 38.136 38.000 0.071 0.000 1.034 349 I HN 0.269 nan 8.210 nan 0.000 0.405 350 M N 0.847 120.448 119.600 0.002 0.000 2.630 350 M HA 0.012 4.189 4.480 -0.504 0.000 0.254 350 M C 2.008 178.258 176.300 -0.083 0.000 1.092 350 M CA 0.834 56.077 55.300 -0.096 0.000 1.087 350 M CB -1.865 30.584 32.600 -0.251 0.000 1.453 350 M HN 0.379 nan 8.290 nan 0.000 0.509 351 G N -0.715 108.066 108.800 -0.032 0.000 2.708 351 G HA2 -0.066 3.592 3.960 -0.504 0.000 0.210 351 G HA3 -0.066 3.592 3.960 -0.504 0.000 0.210 351 G C 1.315 176.203 174.900 -0.020 0.000 1.141 351 G CA 0.237 45.324 45.100 -0.022 0.000 0.788 351 G HN 0.334 nan 8.290 nan 0.000 0.531 352 L N 0.388 121.598 121.223 -0.020 0.000 2.418 352 L HA 0.164 4.202 4.340 -0.504 0.000 0.218 352 L C 2.789 179.643 176.870 -0.027 0.000 1.125 352 L CA 0.865 55.697 54.840 -0.013 0.000 0.835 352 L CB -0.230 41.833 42.059 0.007 0.000 0.953 352 L HN 0.107 nan 8.230 nan 0.000 0.454 353 S N 0.723 116.392 115.700 -0.052 0.000 2.343 353 S HA -0.093 4.074 4.470 -0.504 0.000 0.219 353 S C -0.463 174.110 174.600 -0.046 0.000 1.033 353 S CA 1.727 59.890 58.200 -0.061 0.000 1.014 353 S CB -1.181 61.956 63.200 -0.105 0.000 0.915 353 S HN 0.364 nan 8.310 nan 0.000 0.435 354 P HA -0.035 nan 4.420 nan 0.000 0.218 354 P C 1.325 178.608 177.300 -0.028 0.000 1.149 354 P CA 0.981 64.059 63.100 -0.036 0.000 0.817 354 P CB -0.492 31.188 31.700 -0.034 0.000 0.785 355 I N -4.684 115.870 120.570 -0.027 0.000 3.564 355 I HA 0.097 3.965 4.170 -0.504 0.000 0.294 355 I C 1.546 177.651 176.117 -0.020 0.000 1.289 355 I CA 0.591 61.876 61.300 -0.025 0.000 1.325 355 I CB -0.649 37.333 38.000 -0.031 0.000 1.039 355 I HN -0.153 nan 8.210 nan 0.000 0.474 356 L N 1.172 122.386 121.223 -0.015 0.000 2.858 356 L HA 0.489 4.527 4.340 -0.504 0.000 0.251 356 L C 1.133 178.000 176.870 -0.005 0.000 1.149 356 L CA 0.240 55.079 54.840 -0.002 0.000 0.955 356 L CB 0.295 42.362 42.059 0.013 0.000 1.289 356 L HN 0.536 nan 8.230 nan 0.000 0.542 357 G N 1.171 109.961 108.800 -0.016 0.000 2.750 357 G HA2 -0.338 3.319 3.960 -0.504 0.000 0.228 357 G HA3 -0.338 3.319 3.960 -0.504 0.000 0.228 357 G C 0.333 175.218 174.900 -0.025 0.000 1.367 357 G CA 0.379 45.468 45.100 -0.019 0.000 0.871 357 G HN 0.186 nan 8.290 nan 0.000 0.560 358 K N -1.191 119.193 120.400 -0.027 0.000 2.005 358 K HA -0.037 3.980 4.320 -0.504 0.000 0.206 358 K C 1.985 178.560 176.600 -0.043 0.000 1.044 358 K CA 1.538 57.804 56.287 -0.034 0.000 0.942 358 K CB -0.207 32.275 32.500 -0.030 0.000 0.727 358 K HN 0.408 nan 8.250 nan 0.000 0.439 359 D N 0.405 120.778 120.400 -0.044 0.000 2.224 359 D HA -0.053 4.284 4.640 -0.504 0.000 0.205 359 D C 1.450 177.685 176.300 -0.108 0.000 0.965 359 D CA 0.776 54.737 54.000 -0.065 0.000 0.852 359 D CB -0.060 40.709 40.800 -0.052 0.000 0.947 359 D HN 0.285 nan 8.370 nan 0.000 0.494 360 N N -0.907 117.747 118.700 -0.077 0.000 2.216 360 N HA -0.088 4.349 4.740 -0.504 0.000 0.183 360 N C 1.476 176.943 175.510 -0.072 0.000 1.017 360 N CA 1.015 54.019 53.050 -0.078 0.000 0.861 360 N CB 0.216 38.734 38.487 0.052 0.000 0.986 360 N HN 0.088 nan 8.380 nan 0.000 0.428 361 T N 1.939 116.468 114.554 -0.041 0.000 2.622 361 T HA -0.117 3.930 4.350 -0.504 0.000 0.266 361 T C 2.029 176.700 174.700 -0.049 0.000 1.047 361 T CA 0.919 63.000 62.100 -0.032 0.000 1.159 361 T CB -0.311 68.530 68.868 -0.045 0.000 0.863 361 T HN 0.138 nan 8.240 nan 0.000 0.422 362 I N 0.879 121.408 120.570 -0.069 0.000 2.068 362 I HA -0.282 3.586 4.170 -0.504 0.000 0.238 362 I C 2.769 178.833 176.117 -0.089 0.000 1.046 362 I CA 1.947 63.210 61.300 -0.061 0.000 1.306 362 I CB -0.383 37.581 38.000 -0.060 0.000 1.023 362 I HN 0.343 nan 8.210 nan 0.000 0.399 363 E N -0.310 119.768 120.200 -0.202 0.000 2.110 363 E HA -0.233 3.815 4.350 -0.504 0.000 0.193 363 E C 1.896 178.375 176.600 -0.203 0.000 0.988 363 E CA 1.697 57.928 56.400 -0.282 0.000 0.804 363 E CB 0.054 29.452 29.700 -0.503 0.000 0.745 363 E HN 0.661 nan 8.360 nan 0.000 0.458 364 H N -1.253 117.826 119.070 0.015 0.000 2.393 364 H HA 0.188 4.441 4.556 -0.505 0.000 0.301 364 H C 2.058 177.402 175.328 0.026 0.000 1.019 364 H CA 0.252 56.310 56.048 0.018 0.000 1.311 364 H CB 0.256 30.025 29.762 0.012 0.000 1.475 364 H HN 0.014 nan 8.280 nan 0.000 0.572 365 L N 0.677 121.978 121.223 0.130 0.000 2.044 365 L HA -0.109 3.928 4.340 -0.504 0.000 0.205 365 L C 2.393 179.328 176.870 0.108 0.000 1.075 365 L CA 0.820 55.717 54.840 0.094 0.000 0.747 365 L CB -0.241 41.845 42.059 0.046 0.000 0.903 365 L HN 0.231 nan 8.230 nan 0.000 0.435 366 L N 0.677 121.957 121.223 0.095 0.000 2.021 366 L HA -0.191 3.846 4.340 -0.504 0.000 0.215 366 L C -0.452 176.514 176.870 0.161 0.000 1.074 366 L CA 1.938 56.871 54.840 0.156 0.000 0.760 366 L CB -1.225 40.896 42.059 0.103 0.000 0.889 366 L HN 0.128 nan 8.230 nan 0.000 0.433 367 P HA -0.191 nan 4.420 nan 0.000 0.217 367 P C 1.753 179.092 177.300 0.065 0.000 1.148 367 P CA 1.608 64.750 63.100 0.069 0.000 0.828 367 P CB -0.021 31.715 31.700 0.060 0.000 0.783 368 L N -2.849 118.429 121.223 0.092 0.000 2.068 368 L HA -0.065 3.973 4.340 -0.504 0.000 0.204 368 L C 2.416 179.349 176.870 0.106 0.000 1.076 368 L CA 0.950 55.839 54.840 0.081 0.000 0.753 368 L CB -1.140 40.970 42.059 0.086 0.000 0.910 368 L HN -0.103 nan 8.230 nan 0.000 0.439 369 F N 1.277 121.228 119.950 0.001 0.000 2.154 369 F HA -0.239 3.985 4.527 -0.505 0.000 0.301 369 F C 2.075 177.870 175.800 -0.009 0.000 1.087 369 F CA 1.574 59.571 58.000 -0.005 0.000 1.274 369 F CB -0.250 38.746 39.000 -0.007 0.000 1.009 369 F HN -0.099 nan 8.300 nan 0.000 0.485 370 L N -0.642 120.510 121.223 -0.118 0.000 2.313 370 L HA -0.016 4.021 4.340 -0.504 0.000 0.214 370 L C 2.596 179.380 176.870 -0.143 0.000 1.119 370 L CA 0.736 55.452 54.840 -0.207 0.000 0.809 370 L CB -1.022 40.996 42.059 -0.069 0.000 0.933 370 L HN 0.246 nan 8.230 nan 0.000 0.449 371 A N -0.653 122.121 122.820 -0.077 0.000 1.898 371 A HA -0.129 3.888 4.320 -0.504 0.000 0.214 371 A C 2.236 179.778 177.584 -0.071 0.000 1.183 371 A CA 0.714 52.719 52.037 -0.054 0.000 0.622 371 A CB -0.187 18.803 19.000 -0.017 0.000 0.824 371 A HN 0.291 nan 8.150 nan 0.000 0.444 372 Q N -0.858 118.895 119.800 -0.079 0.000 2.124 372 Q HA -0.122 3.915 4.340 -0.504 0.000 0.202 372 Q C 1.792 177.721 176.000 -0.118 0.000 0.977 372 Q CA 1.053 56.812 55.803 -0.074 0.000 0.850 372 Q CB -0.390 28.325 28.738 -0.038 0.000 0.901 372 Q HN 0.512 nan 8.270 nan 0.000 0.429 373 L N 0.645 121.740 121.223 -0.212 0.000 2.551 373 L HA -0.055 3.982 4.340 -0.504 0.000 0.228 373 L C 1.406 178.190 176.870 -0.144 0.000 1.153 373 L CA 1.417 56.119 54.840 -0.230 0.000 0.851 373 L CB 0.003 41.818 42.059 -0.406 0.000 0.959 373 L HN -0.022 nan 8.230 nan 0.000 0.451 374 K N -1.096 119.237 120.400 -0.112 0.000 2.358 374 K HA 0.060 4.078 4.320 -0.504 0.000 0.197 374 K C 0.065 176.634 176.600 -0.052 0.000 1.025 374 K CA -0.165 56.078 56.287 -0.073 0.000 1.104 374 K CB 0.352 32.814 32.500 -0.064 0.000 0.855 374 K HN 0.193 nan 8.250 nan 0.000 0.531 375 D N 1.352 121.721 120.400 -0.052 0.000 2.345 375 D HA -0.065 4.273 4.640 -0.504 0.000 0.247 375 D C 1.114 177.398 176.300 -0.027 0.000 1.108 375 D CA 0.089 54.068 54.000 -0.034 0.000 0.894 375 D CB 1.082 41.864 40.800 -0.031 0.000 1.203 375 D HN 0.091 nan 8.370 nan 0.000 0.430 376 E N 2.916 123.106 120.200 -0.017 0.000 2.035 376 E HA -0.266 3.781 4.350 -0.504 0.000 0.204 376 E C 0.346 176.941 176.600 -0.008 0.000 1.025 376 E CA 0.819 57.212 56.400 -0.011 0.000 0.835 376 E CB -0.237 29.460 29.700 -0.006 0.000 0.764 376 E HN 0.550 nan 8.360 nan 0.000 0.457 377 C N 2.600 121.896 119.300 -0.006 0.000 2.419 377 C HA 0.007 4.164 4.460 -0.504 0.000 0.398 377 C C -1.314 173.669 174.990 -0.012 0.000 1.498 377 C CA -1.063 57.952 59.018 -0.005 0.000 1.494 377 C CB 0.124 27.864 27.740 -0.000 0.000 2.485 377 C HN 0.355 nan 8.230 nan 0.000 0.608 378 P HA -0.125 nan 4.420 nan 0.000 0.216 378 P C 1.540 178.830 177.300 -0.017 0.000 1.153 378 P CA 1.234 64.326 63.100 -0.012 0.000 0.848 378 P CB -0.135 31.559 31.700 -0.010 0.000 0.787 379 E N -0.262 119.922 120.200 -0.027 0.000 2.233 379 E HA -0.173 3.875 4.350 -0.504 0.000 0.199 379 E C 1.594 178.181 176.600 -0.021 0.000 1.004 379 E CA 1.113 57.493 56.400 -0.034 0.000 0.819 379 E CB -0.137 29.526 29.700 -0.062 0.000 0.738 379 E HN 0.039 nan 8.360 nan 0.000 0.478 380 V N 0.951 120.854 119.914 -0.018 0.000 2.341 380 V HA -0.192 3.625 4.120 -0.504 0.000 0.240 380 V C 2.406 178.489 176.094 -0.019 0.000 1.035 380 V CA 1.950 64.241 62.300 -0.015 0.000 1.033 380 V CB -0.358 31.455 31.823 -0.016 0.000 0.678 380 V HN 0.327 nan 8.190 nan 0.000 0.464 381 R N 0.085 120.568 120.500 -0.029 0.000 2.148 381 R HA -0.044 3.994 4.340 -0.504 0.000 0.223 381 R C 2.102 178.376 176.300 -0.043 0.000 1.088 381 R CA 1.105 57.176 56.100 -0.048 0.000 0.985 381 R CB -0.666 29.598 30.300 -0.059 0.000 0.880 381 R HN 0.349 nan 8.270 nan 0.000 0.451 382 L N 1.990 123.199 121.223 -0.023 0.000 2.056 382 L HA -0.069 3.968 4.340 -0.504 0.000 0.207 382 L C 1.902 178.775 176.870 0.003 0.000 1.078 382 L CA 1.626 56.459 54.840 -0.012 0.000 0.749 382 L CB -0.765 41.304 42.059 0.017 0.000 0.901 382 L HN 0.224 nan 8.230 nan 0.000 0.433 383 N N -0.376 118.331 118.700 0.012 0.000 2.205 383 N HA -0.180 4.257 4.740 -0.504 0.000 0.186 383 N C 1.757 177.293 175.510 0.043 0.000 1.015 383 N CA 1.091 54.160 53.050 0.030 0.000 0.862 383 N CB -0.060 38.440 38.487 0.021 0.000 0.986 383 N HN 0.247 nan 8.380 nan 0.000 0.429 384 I N 0.793 121.385 120.570 0.037 0.000 2.233 384 I HA -0.166 3.702 4.170 -0.504 0.000 0.243 384 I C 2.117 178.293 176.117 0.099 0.000 1.093 384 I CA 0.654 62.012 61.300 0.097 0.000 1.380 384 I CB -0.834 37.195 38.000 0.049 0.000 1.067 384 I HN 0.078 nan 8.210 nan 0.000 0.413 385 I N 0.313 120.878 120.570 -0.007 0.000 2.151 385 I HA -0.361 3.507 4.170 -0.504 0.000 0.243 385 I C 2.756 178.823 176.117 -0.083 0.000 1.080 385 I CA 1.547 62.785 61.300 -0.104 0.000 1.339 385 I CB -0.429 37.397 38.000 -0.289 0.000 1.039 385 I HN 0.186 nan 8.210 nan 0.000 0.409 386 S N 0.533 116.226 115.700 -0.011 0.000 2.409 386 S HA -0.290 3.877 4.470 -0.504 0.000 0.237 386 S C 1.637 176.283 174.600 0.076 0.000 1.060 386 S CA 2.153 60.408 58.200 0.092 0.000 1.052 386 S CB -0.509 62.751 63.200 0.100 0.000 0.871 386 S HN 0.530 nan 8.310 nan 0.000 0.465 387 N N -0.166 118.570 118.700 0.060 0.000 2.236 387 N HA 0.121 4.558 4.740 -0.504 0.000 0.196 387 N C 1.137 176.659 175.510 0.020 0.000 1.114 387 N CA 0.055 53.132 53.050 0.044 0.000 0.859 387 N CB 0.059 38.574 38.487 0.045 0.000 0.982 387 N HN 0.224 nan 8.380 nan 0.000 0.493 388 L N 1.847 123.093 121.223 0.038 0.000 2.123 388 L HA -0.264 3.773 4.340 -0.504 0.000 0.217 388 L C 1.702 178.558 176.870 -0.024 0.000 1.081 388 L CA 1.764 56.625 54.840 0.035 0.000 0.772 388 L CB -0.373 41.703 42.059 0.027 0.000 0.890 388 L HN 0.151 nan 8.230 nan 0.000 0.437 389 D N -1.780 118.611 120.400 -0.015 0.000 2.117 389 D HA -0.200 4.138 4.640 -0.504 0.000 0.198 389 D C 2.260 178.531 176.300 -0.049 0.000 0.982 389 D CA 1.438 55.424 54.000 -0.022 0.000 0.828 389 D CB -0.346 40.454 40.800 0.000 0.000 0.967 389 D HN 0.487 nan 8.370 nan 0.000 0.464 390 C N 0.443 119.709 119.300 -0.057 0.000 2.401 390 C HA -0.099 4.059 4.460 -0.504 0.000 0.286 390 C C 2.609 177.533 174.990 -0.110 0.000 1.332 390 C CA 0.592 59.568 59.018 -0.070 0.000 1.795 390 C CB -0.886 26.815 27.740 -0.065 0.000 1.922 390 C HN 0.099 nan 8.230 nan 0.000 0.520 391 V N -0.157 119.660 119.914 -0.161 0.000 2.581 391 V HA -0.065 3.753 4.120 -0.504 0.000 0.240 391 V C 2.282 178.293 176.094 -0.137 0.000 1.054 391 V CA 1.753 63.923 62.300 -0.216 0.000 1.076 391 V CB -0.876 30.685 31.823 -0.436 0.000 0.748 391 V HN 0.565 nan 8.190 nan 0.000 0.474 392 N N 0.378 119.019 118.700 -0.099 0.000 2.453 392 N HA -0.172 4.265 4.740 -0.504 0.000 0.183 392 N C 1.562 177.044 175.510 -0.047 0.000 1.041 392 N CA 0.808 53.823 53.050 -0.059 0.000 0.900 392 N CB 0.133 38.598 38.487 -0.038 0.000 0.961 392 N HN 0.564 nan 8.380 nan 0.000 0.443 393 E N -0.412 119.758 120.200 -0.050 0.000 2.511 393 E HA -0.026 4.021 4.350 -0.504 0.000 0.196 393 E C 1.042 177.617 176.600 -0.041 0.000 1.066 393 E CA 0.057 56.434 56.400 -0.038 0.000 0.871 393 E CB 0.582 30.262 29.700 -0.034 0.000 0.863 393 E HN 0.223 nan 8.360 nan 0.000 0.520 394 V N 0.015 119.898 119.914 -0.052 0.000 3.054 394 V HA 0.123 3.940 4.120 -0.504 0.000 0.227 394 V C 0.844 176.911 176.094 -0.046 0.000 1.252 394 V CA 0.172 62.442 62.300 -0.049 0.000 1.279 394 V CB 0.295 32.082 31.823 -0.059 0.000 1.118 394 V HN 0.131 nan 8.190 nan 0.000 0.504 395 I N -0.839 119.698 120.570 -0.056 0.000 3.474 395 I HA 0.860 4.728 4.170 -0.504 0.000 0.294 395 I C 0.871 176.969 176.117 -0.032 0.000 1.185 395 I CA -0.611 60.663 61.300 -0.043 0.000 1.003 395 I CB 0.531 38.503 38.000 -0.047 0.000 1.327 395 I HN 0.155 nan 8.210 nan 0.000 0.541 396 G N 0.211 108.999 108.800 -0.020 0.000 2.732 396 G HA2 0.144 3.801 3.960 -0.504 0.000 0.244 396 G HA3 0.144 3.801 3.960 -0.504 0.000 0.244 396 G C 0.243 175.138 174.900 -0.008 0.000 1.226 396 G CA 0.029 45.123 45.100 -0.010 0.000 0.860 396 G HN 0.770 nan 8.290 nan 0.000 0.583 397 I N 0.048 120.614 120.570 -0.006 0.000 2.296 397 I HA 0.033 3.900 4.170 -0.504 0.000 0.242 397 I C 2.814 178.926 176.117 -0.009 0.000 1.087 397 I CA 0.904 62.197 61.300 -0.011 0.000 1.393 397 I CB -0.108 37.885 38.000 -0.011 0.000 1.093 397 I HN 0.657 nan 8.210 nan 0.000 0.421 398 R N -0.104 120.398 120.500 0.003 0.000 2.148 398 R HA -0.040 3.998 4.340 -0.504 0.000 0.223 398 R C 2.003 178.317 176.300 0.023 0.000 1.088 398 R CA 0.830 56.938 56.100 0.014 0.000 0.985 398 R CB -0.897 29.417 30.300 0.024 0.000 0.880 398 R HN 0.376 nan 8.270 nan 0.000 0.451 399 Q N 0.941 120.755 119.800 0.022 0.000 2.124 399 Q HA -0.128 3.909 4.340 -0.504 0.000 0.202 399 Q C 2.110 178.149 176.000 0.066 0.000 0.977 399 Q CA 1.278 57.102 55.803 0.035 0.000 0.850 399 Q CB -0.133 28.619 28.738 0.023 0.000 0.901 399 Q HN 0.356 nan 8.270 nan 0.000 0.429 400 L N 0.083 121.343 121.223 0.062 0.000 2.034 400 L HA -0.101 3.936 4.340 -0.504 0.000 0.203 400 L C 2.457 179.368 176.870 0.070 0.000 1.074 400 L CA 1.584 56.495 54.840 0.118 0.000 0.748 400 L CB -0.690 41.411 42.059 0.070 0.000 0.905 400 L HN 0.081 nan 8.230 nan 0.000 0.439 401 S N -0.538 115.155 115.700 -0.012 0.000 2.472 401 S HA -0.214 3.953 4.470 -0.504 0.000 0.213 401 S C 0.779 175.370 174.600 -0.016 0.000 1.064 401 S CA 0.512 58.651 58.200 -0.101 0.000 1.144 401 S CB -0.494 62.596 63.200 -0.185 0.000 1.085 401 S HN 0.508 nan 8.310 nan 0.000 0.405 402 Q N 0.956 120.793 119.800 0.062 0.000 2.549 402 Q HA 0.085 4.122 4.340 -0.504 0.000 0.347 402 Q C 0.638 176.667 176.000 0.049 0.000 1.081 402 Q CA 1.336 57.203 55.803 0.108 0.000 1.093 402 Q CB 0.115 28.905 28.738 0.088 0.000 1.067 402 Q HN 0.628 nan 8.270 nan 0.000 0.398 403 S N 0.321 116.047 115.700 0.044 0.000 2.252 403 S HA -0.186 3.981 4.470 -0.504 0.000 0.255 403 S C 0.236 174.809 174.600 -0.045 0.000 1.283 403 S CA 0.705 58.898 58.200 -0.012 0.000 1.272 403 S CB -1.264 61.914 63.200 -0.037 0.000 1.577 403 S HN 0.580 nan 8.310 nan 0.000 0.626 404 L N 1.852 123.071 121.223 -0.008 0.000 2.728 404 L HA 0.514 4.551 4.340 -0.504 0.000 0.238 404 L C 1.099 178.036 176.870 0.112 0.000 1.143 404 L CA 0.556 55.385 54.840 -0.019 0.000 0.937 404 L CB -0.263 41.753 42.059 -0.072 0.000 1.225 404 L HN 0.389 nan 8.230 nan 0.000 0.507 405 L N 0.082 121.403 121.223 0.164 0.000 1.950 405 L HA 0.037 4.074 4.340 -0.504 0.000 0.210 405 L C -0.388 176.510 176.870 0.046 0.000 1.079 405 L CA 0.982 55.933 54.840 0.185 0.000 0.754 405 L CB -2.331 39.767 42.059 0.066 0.000 0.889 405 L HN 0.117 nan 8.230 nan 0.000 0.433 406 P HA -0.014 nan 4.420 nan 0.000 0.239 406 P C 0.858 178.152 177.300 -0.009 0.000 1.184 406 P CA 0.952 64.038 63.100 -0.023 0.000 0.760 406 P CB 0.005 31.687 31.700 -0.030 0.000 0.884 407 A N 0.091 122.911 122.820 0.001 0.000 1.835 407 A HA -0.106 3.911 4.320 -0.504 0.000 0.213 407 A C 2.058 179.653 177.584 0.018 0.000 1.210 407 A CA 1.073 53.106 52.037 -0.007 0.000 0.605 407 A CB -1.429 17.550 19.000 -0.035 0.000 0.860 407 A HN 0.066 nan 8.150 nan 0.000 0.447 408 I N -0.002 120.593 120.570 0.042 0.000 2.145 408 I HA -0.291 3.576 4.170 -0.504 0.000 0.244 408 I C 2.374 178.542 176.117 0.085 0.000 1.075 408 I CA 1.456 62.803 61.300 0.078 0.000 1.332 408 I CB -0.468 37.602 38.000 0.118 0.000 1.033 408 I HN 0.167 nan 8.210 nan 0.000 0.410 409 V N 0.349 120.282 119.914 0.033 0.000 2.255 409 V HA -0.320 3.498 4.120 -0.504 0.000 0.247 409 V C 2.509 178.620 176.094 0.028 0.000 1.051 409 V CA 2.245 64.544 62.300 -0.002 0.000 1.018 409 V CB -0.591 31.202 31.823 -0.050 0.000 0.641 409 V HN 0.381 nan 8.190 nan 0.000 0.445 410 E N 0.026 120.240 120.200 0.025 0.000 2.072 410 E HA -0.108 3.940 4.350 -0.504 0.000 0.191 410 E C 1.935 178.570 176.600 0.059 0.000 0.985 410 E CA 0.951 57.368 56.400 0.029 0.000 0.801 410 E CB -0.364 29.342 29.700 0.010 0.000 0.750 410 E HN 0.554 nan 8.360 nan 0.000 0.452 411 L N -0.421 120.843 121.223 0.069 0.000 2.642 411 L HA -0.081 3.956 4.340 -0.504 0.000 0.236 411 L C 1.700 178.661 176.870 0.151 0.000 1.169 411 L CA 0.809 55.701 54.840 0.086 0.000 0.851 411 L CB -0.162 41.941 42.059 0.074 0.000 0.968 411 L HN 0.126 nan 8.230 nan 0.000 0.453 412 A N -0.955 121.990 122.820 0.209 0.000 2.324 412 A HA 0.113 4.131 4.320 -0.504 0.000 0.220 412 A C 1.488 179.280 177.584 0.346 0.000 1.209 412 A CA -0.075 52.200 52.037 0.396 0.000 0.918 412 A CB 0.207 19.566 19.000 0.599 0.000 0.959 412 A HN 0.316 nan 8.150 nan 0.000 0.507 413 E N 0.547 120.853 120.200 0.176 0.000 2.451 413 E HA 0.131 4.178 4.350 -0.504 0.000 0.194 413 E C -0.589 176.072 176.600 0.101 0.000 1.027 413 E CA -0.203 56.270 56.400 0.122 0.000 0.914 413 E CB 0.198 29.932 29.700 0.056 0.000 1.054 413 E HN 0.592 nan 8.360 nan 0.000 0.461 414 D N -0.154 120.312 120.400 0.111 0.000 2.351 414 D HA 0.213 4.550 4.640 -0.504 0.000 0.251 414 D C 1.263 177.613 176.300 0.083 0.000 1.137 414 D CA 0.158 54.204 54.000 0.078 0.000 0.879 414 D CB 1.088 41.925 40.800 0.061 0.000 1.181 414 D HN 0.052 nan 8.370 nan 0.000 0.448 415 A N 4.745 127.607 122.820 0.069 0.000 1.896 415 A HA -0.242 3.775 4.320 -0.504 0.000 0.220 415 A C 1.034 178.674 177.584 0.094 0.000 1.206 415 A CA 1.343 53.429 52.037 0.082 0.000 0.647 415 A CB -0.559 18.480 19.000 0.064 0.000 0.828 415 A HN 0.661 nan 8.150 nan 0.000 0.455 416 K N 1.417 121.843 120.400 0.042 0.000 2.351 416 K HA -0.009 4.009 4.320 -0.504 0.000 0.287 416 K C 1.049 177.642 176.600 -0.010 0.000 1.068 416 K CA 0.058 56.332 56.287 -0.021 0.000 0.998 416 K CB 0.176 32.617 32.500 -0.098 0.000 0.968 416 K HN 0.804 nan 8.250 nan 0.000 0.464 417 W N 4.287 125.594 121.300 0.012 0.000 2.364 417 W HA -0.235 4.072 4.660 -0.589 0.000 0.281 417 W C 0.984 177.483 176.519 -0.032 0.000 1.219 417 W CA 0.473 57.813 57.345 -0.008 0.000 1.220 417 W CB -0.395 29.066 29.460 0.003 0.000 1.127 417 W HN 0.515 nan 8.180 nan 0.000 0.556 418 R N 1.084 121.159 120.500 -0.709 0.000 2.120 418 R HA -0.105 3.932 4.340 -0.504 0.000 0.234 418 R C 2.443 178.597 176.300 -0.243 0.000 1.123 418 R CA 1.946 57.629 56.100 -0.695 0.000 0.975 418 R CB -0.638 29.185 30.300 -0.795 0.000 0.866 418 R HN 0.122 nan 8.270 nan 0.000 0.446 419 V N 0.201 120.021 119.914 -0.155 0.000 2.323 419 V HA -0.182 3.635 4.120 -0.504 0.000 0.244 419 V C 2.202 178.290 176.094 -0.010 0.000 1.041 419 V CA 1.611 63.879 62.300 -0.053 0.000 1.025 419 V CB -0.343 31.463 31.823 -0.028 0.000 0.656 419 V HN 0.328 nan 8.190 nan 0.000 0.451 420 R N -0.459 120.048 120.500 0.012 0.000 2.115 420 R HA -0.260 3.777 4.340 -0.504 0.000 0.239 420 R C 2.241 178.435 176.300 -0.176 0.000 1.133 420 R CA 2.163 58.248 56.100 -0.026 0.000 0.935 420 R CB -0.927 29.390 30.300 0.029 0.000 0.853 420 R HN 0.379 nan 8.270 nan 0.000 0.433 421 L N 0.744 121.923 121.223 -0.075 0.000 2.189 421 L HA -0.171 3.866 4.340 -0.504 0.000 0.214 421 L C 2.136 178.934 176.870 -0.120 0.000 1.097 421 L CA 1.919 56.703 54.840 -0.092 0.000 0.764 421 L CB -0.429 41.698 42.059 0.112 0.000 0.900 421 L HN 0.196 nan 8.230 nan 0.000 0.436 422 A N -0.581 122.198 122.820 -0.069 0.000 1.872 422 A HA -0.073 3.944 4.320 -0.504 0.000 0.214 422 A C 2.084 179.713 177.584 0.075 0.000 1.187 422 A CA 1.440 53.470 52.037 -0.012 0.000 0.614 422 A CB -0.581 18.448 19.000 0.049 0.000 0.826 422 A HN 0.348 nan 8.150 nan 0.000 0.442 423 I N 0.793 121.412 120.570 0.082 0.000 2.091 423 I HA -0.289 3.578 4.170 -0.504 0.000 0.239 423 I C 2.487 178.648 176.117 0.073 0.000 1.061 423 I CA 1.429 62.825 61.300 0.160 0.000 1.317 423 I CB -1.475 36.655 38.000 0.217 0.000 1.031 423 I HN 0.332 nan 8.210 nan 0.000 0.401 424 I N 0.625 121.007 120.570 -0.313 0.000 2.143 424 I HA -0.356 3.511 4.170 -0.504 0.000 0.245 424 I C 2.464 178.547 176.117 -0.056 0.000 1.068 424 I CA 1.723 62.809 61.300 -0.357 0.000 1.326 424 I CB -0.620 36.988 38.000 -0.654 0.000 1.028 424 I HN 0.371 nan 8.210 nan 0.000 0.412 425 E N -0.071 120.082 120.200 -0.078 0.000 2.072 425 E HA -0.207 3.840 4.350 -0.504 0.000 0.191 425 E C 1.856 178.441 176.600 -0.025 0.000 0.985 425 E CA 1.144 57.497 56.400 -0.078 0.000 0.801 425 E CB -0.193 29.411 29.700 -0.160 0.000 0.750 425 E HN 0.482 nan 8.360 nan 0.000 0.452 426 Y N 0.092 120.409 120.300 0.029 0.000 2.619 426 Y HA -0.059 4.183 4.550 -0.514 0.000 0.308 426 Y C 1.904 177.880 175.900 0.127 0.000 1.192 426 Y CA 0.499 58.637 58.100 0.064 0.000 1.319 426 Y CB -0.088 38.408 38.460 0.060 0.000 1.030 426 Y HN 0.067 nan 8.280 nan 0.000 0.517 427 M N 0.515 120.294 119.600 0.299 0.000 2.102 427 M HA 0.004 4.181 4.480 -0.504 0.000 0.259 427 M C -0.756 175.738 176.300 0.323 0.000 1.083 427 M CA 1.531 57.057 55.300 0.377 0.000 1.141 427 M CB -1.152 31.713 32.600 0.441 0.000 1.318 427 M HN -0.140 nan 8.290 nan 0.000 0.421 428 P HA -0.175 nan 4.420 nan 0.000 0.216 428 P C 1.592 178.918 177.300 0.043 0.000 1.150 428 P CA 1.139 64.255 63.100 0.027 0.000 0.843 428 P CB -0.218 31.466 31.700 -0.027 0.000 0.787 429 L N -1.753 119.534 121.223 0.107 0.000 2.093 429 L HA -0.119 3.918 4.340 -0.504 0.000 0.208 429 L C 2.156 179.116 176.870 0.150 0.000 1.085 429 L CA 1.650 56.563 54.840 0.121 0.000 0.755 429 L CB -1.547 40.620 42.059 0.178 0.000 0.904 429 L HN 0.050 nan 8.230 nan 0.000 0.435 430 L N -0.196 121.155 121.223 0.214 0.000 2.156 430 L HA -0.018 4.019 4.340 -0.504 0.000 0.208 430 L C 2.675 179.691 176.870 0.244 0.000 1.095 430 L CA 1.496 56.448 54.840 0.187 0.000 0.770 430 L CB -1.067 41.105 42.059 0.188 0.000 0.914 430 L HN 0.149 nan 8.230 nan 0.000 0.439 431 A N -0.600 122.421 122.820 0.336 0.000 1.978 431 A HA -0.097 3.921 4.320 -0.504 0.000 0.220 431 A C 2.149 179.839 177.584 0.177 0.000 1.170 431 A CA 1.510 53.762 52.037 0.359 0.000 0.636 431 A CB -1.082 17.937 19.000 0.031 0.000 0.810 431 A HN 0.422 nan 8.150 nan 0.000 0.448 432 G N -2.007 106.836 108.800 0.072 0.000 3.124 432 G HA2 0.260 3.917 3.960 -0.504 0.000 0.212 432 G HA3 0.260 3.917 3.960 -0.504 0.000 0.212 432 G C 0.717 175.643 174.900 0.043 0.000 1.181 432 G CA 0.331 45.450 45.100 0.031 0.000 0.803 432 G HN 0.547 nan 8.290 nan 0.000 0.529 433 Q N -0.821 119.016 119.800 0.061 0.000 2.052 433 Q HA 0.394 4.431 4.340 -0.504 0.000 0.250 433 Q C 0.496 176.497 176.000 0.001 0.000 0.851 433 Q CA -0.025 55.793 55.803 0.025 0.000 1.029 433 Q CB 0.622 29.365 28.738 0.008 0.000 1.274 433 Q HN 0.377 nan 8.270 nan 0.000 0.411 434 L N -2.261 118.997 121.223 0.058 0.000 2.824 434 L HA 0.350 4.387 4.340 -0.504 0.000 0.284 434 L C 0.701 177.674 176.870 0.173 0.000 1.031 434 L CA 0.328 55.184 54.840 0.026 0.000 1.226 434 L CB 1.063 43.080 42.059 -0.069 0.000 2.283 434 L HN 0.312 nan 8.230 nan 0.000 0.569 435 G N 0.297 109.246 108.800 0.248 0.000 2.829 435 G HA2 -0.252 3.405 3.960 -0.504 0.000 0.628 435 G HA3 -0.252 3.405 3.960 -0.504 0.000 0.628 435 G C 0.231 175.272 174.900 0.235 0.000 1.412 435 G CA -0.172 45.044 45.100 0.193 0.000 0.864 435 G HN -0.007 nan 8.290 nan 0.000 0.544 436 V N 1.168 121.013 119.914 -0.115 0.000 2.970 436 V HA -0.038 3.779 4.120 -0.504 0.000 0.260 436 V C 2.704 178.863 176.094 0.107 0.000 1.100 436 V CA 2.601 64.774 62.300 -0.212 0.000 1.122 436 V CB -0.591 30.846 31.823 -0.643 0.000 0.721 436 V HN 0.899 nan 8.190 nan 0.000 0.483 437 E N 0.103 120.372 120.200 0.115 0.000 2.021 437 E HA -0.356 3.691 4.350 -0.504 0.000 0.200 437 E C 2.154 178.862 176.600 0.180 0.000 1.015 437 E CA 2.175 58.652 56.400 0.129 0.000 0.824 437 E CB -1.222 28.547 29.700 0.115 0.000 0.762 437 E HN 0.539 nan 8.360 nan 0.000 0.454 438 F N 1.318 121.317 119.950 0.081 0.000 2.120 438 F HA -0.123 4.098 4.527 -0.511 0.000 0.300 438 F C 1.175 176.961 175.800 -0.023 0.000 1.095 438 F CA 0.962 58.971 58.000 0.015 0.000 1.249 438 F CB -0.311 38.687 39.000 -0.003 0.000 0.995 438 F HN -0.135 nan 8.300 nan 0.000 0.480 439 F N 1.817 121.841 119.950 0.124 0.000 2.677 439 F HA 0.124 4.342 4.527 -0.516 0.000 0.358 439 F C 0.565 176.382 175.800 0.028 0.000 1.266 439 F CA -0.557 57.489 58.000 0.077 0.000 1.262 439 F CB -1.150 37.918 39.000 0.113 0.000 1.684 439 F HN 0.087 nan 8.300 nan 0.000 0.671 440 D N -0.819 119.589 120.400 0.014 0.000 2.541 440 D HA 0.110 4.447 4.640 -0.504 0.000 0.276 440 D C 1.102 177.377 176.300 -0.041 0.000 1.190 440 D CA -0.518 53.472 54.000 -0.016 0.000 1.095 440 D CB 0.207 40.956 40.800 -0.084 0.000 1.173 440 D HN 0.141 nan 8.370 nan 0.000 0.604 441 E N -0.576 119.582 120.200 -0.071 0.000 2.331 441 E HA -0.198 3.849 4.350 -0.504 0.000 0.199 441 E C 1.329 177.867 176.600 -0.103 0.000 1.008 441 E CA 0.935 57.286 56.400 -0.081 0.000 0.843 441 E CB -0.102 29.549 29.700 -0.081 0.000 0.761 441 E HN 0.471 nan 8.360 nan 0.000 0.507 442 K N 0.512 120.832 120.400 -0.134 0.000 2.157 442 K HA 0.021 4.038 4.320 -0.504 0.000 0.207 442 K C 1.994 178.482 176.600 -0.187 0.000 1.030 442 K CA -0.043 56.145 56.287 -0.165 0.000 0.965 442 K CB -0.069 32.316 32.500 -0.192 0.000 0.877 442 K HN -0.007 nan 8.250 nan 0.000 0.460 443 L N 2.049 123.137 121.223 -0.225 0.000 2.353 443 L HA -0.078 3.959 4.340 -0.504 0.000 0.220 443 L C 0.930 177.754 176.870 -0.075 0.000 1.133 443 L CA 1.744 56.445 54.840 -0.231 0.000 0.798 443 L CB -0.519 41.285 42.059 -0.424 0.000 0.922 443 L HN 0.300 nan 8.230 nan 0.000 0.445 444 N N -1.860 116.835 118.700 -0.009 0.000 2.409 444 N HA -0.066 4.371 4.740 -0.504 0.000 0.174 444 N C 1.489 176.962 175.510 -0.062 0.000 1.037 444 N CA 0.766 53.851 53.050 0.059 0.000 0.898 444 N CB 0.088 38.630 38.487 0.092 0.000 1.010 444 N HN 0.385 nan 8.380 nan 0.000 0.445 445 S N 0.052 115.679 115.700 -0.121 0.000 2.603 445 S HA 0.088 4.255 4.470 -0.504 0.000 0.220 445 S C 1.518 175.970 174.600 -0.246 0.000 0.967 445 S CA 0.103 58.210 58.200 -0.155 0.000 0.920 445 S CB 0.059 63.178 63.200 -0.135 0.000 0.773 445 S HN 0.094 nan 8.310 nan 0.000 0.529 446 L N 1.120 122.143 121.223 -0.333 0.000 2.145 446 L HA 0.295 4.332 4.340 -0.504 0.000 0.201 446 L C 2.337 178.646 176.870 -0.935 0.000 1.075 446 L CA 1.005 55.468 54.840 -0.629 0.000 0.773 446 L CB -0.912 40.779 42.059 -0.613 0.000 0.936 446 L HN 0.400 nan 8.230 nan 0.000 0.451 447 C N -0.727 118.248 119.300 -0.542 0.000 2.413 447 C HA -0.147 4.011 4.460 -0.504 0.000 0.292 447 C C 2.598 177.560 174.990 -0.048 0.000 1.435 447 C CA 0.613 59.528 59.018 -0.171 0.000 1.791 447 C CB -0.954 26.869 27.740 0.139 0.000 1.784 447 C HN 0.524 nan 8.230 nan 0.000 0.548 448 M N 0.847 120.349 119.600 -0.163 0.000 2.398 448 M HA 0.210 4.387 4.480 -0.504 0.000 0.261 448 M C 2.343 178.585 176.300 -0.096 0.000 1.125 448 M CA 1.593 56.841 55.300 -0.087 0.000 1.183 448 M CB -0.859 31.679 32.600 -0.104 0.000 1.322 448 M HN 0.182 nan 8.290 nan 0.000 0.467 449 A N -0.976 121.724 122.820 -0.200 0.000 2.131 449 A HA -0.170 3.847 4.320 -0.504 0.000 0.220 449 A C 1.657 179.231 177.584 -0.017 0.000 1.158 449 A CA 1.180 53.122 52.037 -0.159 0.000 0.665 449 A CB -1.117 17.756 19.000 -0.211 0.000 0.795 449 A HN 0.696 nan 8.150 nan 0.000 0.460 450 W N -0.363 120.915 121.300 -0.036 0.000 2.476 450 W HA 0.091 4.796 4.660 0.075 0.000 0.281 450 W C 1.705 178.203 176.519 -0.036 0.000 1.230 450 W CA 0.390 57.719 57.345 -0.026 0.000 1.287 450 W CB -0.963 28.501 29.460 0.006 0.000 1.108 450 W HN 0.292 nan 8.180 nan 0.000 0.567 451 L N -0.287 121.047 121.223 0.186 0.000 2.362 451 L HA -0.086 3.951 4.340 -0.504 0.000 0.219 451 L C 1.821 178.717 176.870 0.043 0.000 1.134 451 L CA 0.620 55.522 54.840 0.102 0.000 0.807 451 L CB -0.631 41.475 42.059 0.079 0.000 0.927 451 L HN -0.251 nan 8.230 nan 0.000 0.447 452 V N -1.347 118.556 119.914 -0.019 0.000 3.319 452 V HA 0.105 3.922 4.120 -0.504 0.000 0.317 452 V C 0.400 176.458 176.094 -0.060 0.000 1.411 452 V CA -0.269 61.947 62.300 -0.139 0.000 1.112 452 V CB 0.088 31.686 31.823 -0.377 0.000 1.031 452 V HN 0.278 nan 8.190 nan 0.000 0.448 453 D N -0.757 119.652 120.400 0.016 0.000 2.354 453 D HA 0.017 4.354 4.640 -0.504 0.000 0.238 453 D C 1.232 177.563 176.300 0.051 0.000 1.250 453 D CA 0.602 54.597 54.000 -0.007 0.000 0.911 453 D CB 0.604 41.451 40.800 0.078 0.000 1.163 453 D HN 0.515 nan 8.370 nan 0.000 0.456 454 H N -0.488 118.623 119.070 0.067 0.000 2.415 454 H HA 0.129 4.385 4.556 -0.500 0.000 0.297 454 H C 0.160 175.500 175.328 0.020 0.000 1.048 454 H CA -0.019 56.060 56.048 0.052 0.000 1.365 454 H CB 0.373 30.166 29.762 0.051 0.000 1.421 454 H HN 0.035 nan 8.280 nan 0.000 0.533 455 V N 2.292 122.263 119.914 0.096 0.000 2.427 455 V HA -0.132 3.686 4.120 -0.504 0.000 0.268 455 V C 0.812 176.868 176.094 -0.063 0.000 1.046 455 V CA 0.174 62.439 62.300 -0.059 0.000 0.970 455 V CB 0.212 31.888 31.823 -0.246 0.000 1.001 455 V HN 0.393 nan 8.190 nan 0.000 0.476 456 Y N 5.197 125.406 120.300 -0.152 0.000 2.228 456 Y HA -0.341 3.928 4.550 -0.468 0.000 0.285 456 Y C 2.203 178.008 175.900 -0.158 0.000 1.178 456 Y CA 2.093 60.115 58.100 -0.130 0.000 1.202 456 Y CB 0.118 38.501 38.460 -0.129 0.000 0.974 456 Y HN 0.665 nan 8.280 nan 0.000 0.527 457 A N -0.370 122.279 122.820 -0.284 0.000 2.015 457 A HA -0.108 3.909 4.320 -0.504 0.000 0.219 457 A C 2.088 179.507 177.584 -0.275 0.000 1.163 457 A CA 1.741 53.581 52.037 -0.328 0.000 0.646 457 A CB -0.776 17.985 19.000 -0.397 0.000 0.806 457 A HN 0.595 nan 8.150 nan 0.000 0.448 458 I N -1.532 118.901 120.570 -0.228 0.000 2.494 458 I HA -0.088 3.780 4.170 -0.504 0.000 0.250 458 I C 2.604 178.629 176.117 -0.153 0.000 1.112 458 I CA 0.461 61.655 61.300 -0.176 0.000 1.438 458 I CB -0.212 37.715 38.000 -0.122 0.000 1.111 458 I HN 0.198 nan 8.210 nan 0.000 0.431 459 R N 0.621 121.031 120.500 -0.150 0.000 2.097 459 R HA -0.248 3.789 4.340 -0.504 0.000 0.236 459 R C 2.241 178.416 176.300 -0.209 0.000 1.135 459 R CA 1.962 57.987 56.100 -0.124 0.000 0.934 459 R CB -0.496 29.737 30.300 -0.111 0.000 0.846 459 R HN 0.373 nan 8.270 nan 0.000 0.431 460 E N -0.164 119.770 120.200 -0.443 0.000 2.118 460 E HA -0.203 3.844 4.350 -0.504 0.000 0.195 460 E C 1.864 178.329 176.600 -0.225 0.000 0.992 460 E CA 1.216 57.357 56.400 -0.432 0.000 0.804 460 E CB 0.019 29.300 29.700 -0.699 0.000 0.741 460 E HN 0.393 nan 8.360 nan 0.000 0.458 461 A N 0.930 123.632 122.820 -0.197 0.000 1.897 461 A HA 0.014 4.031 4.320 -0.504 0.000 0.215 461 A C 2.340 179.886 177.584 -0.063 0.000 1.181 461 A CA 1.376 53.337 52.037 -0.128 0.000 0.620 461 A CB -0.490 18.418 19.000 -0.153 0.000 0.821 461 A HN 0.324 nan 8.150 nan 0.000 0.443 462 A N -0.669 122.133 122.820 -0.031 0.000 1.940 462 A HA -0.101 3.916 4.320 -0.504 0.000 0.219 462 A C 2.287 179.938 177.584 0.110 0.000 1.176 462 A CA 2.371 54.476 52.037 0.113 0.000 0.631 462 A CB -1.290 17.842 19.000 0.219 0.000 0.814 462 A HN 0.433 nan 8.150 nan 0.000 0.446 463 T N 0.109 114.693 114.554 0.049 0.000 2.652 463 T HA -0.129 3.918 4.350 -0.504 0.000 0.267 463 T C 2.244 176.974 174.700 0.050 0.000 1.039 463 T CA 1.838 63.971 62.100 0.054 0.000 1.153 463 T CB -0.420 68.463 68.868 0.024 0.000 0.863 463 T HN 0.490 nan 8.240 nan 0.000 0.428 464 S N 1.539 117.247 115.700 0.014 0.000 2.399 464 S HA -0.138 4.030 4.470 -0.504 0.000 0.231 464 S C 2.042 176.666 174.600 0.040 0.000 1.022 464 S CA 0.885 59.094 58.200 0.015 0.000 0.983 464 S CB -0.604 62.587 63.200 -0.015 0.000 0.803 464 S HN 0.608 nan 8.310 nan 0.000 0.480 465 N N 1.183 119.920 118.700 0.061 0.000 2.149 465 N HA -0.163 4.274 4.740 -0.504 0.000 0.188 465 N C 1.537 177.133 175.510 0.143 0.000 1.019 465 N CA 1.160 54.274 53.050 0.107 0.000 0.857 465 N CB -0.175 38.408 38.487 0.160 0.000 0.997 465 N HN 0.204 nan 8.380 nan 0.000 0.426 466 L N 1.886 123.201 121.223 0.152 0.000 2.005 466 L HA -0.105 3.932 4.340 -0.504 0.000 0.207 466 L C 2.624 179.580 176.870 0.144 0.000 1.072 466 L CA 1.573 56.517 54.840 0.173 0.000 0.744 466 L CB -1.395 40.752 42.059 0.146 0.000 0.895 466 L HN 0.243 nan 8.230 nan 0.000 0.433 467 K N -0.019 120.440 120.400 0.098 0.000 2.218 467 K HA -0.232 3.785 4.320 -0.504 0.000 0.205 467 K C 2.036 178.664 176.600 0.046 0.000 1.046 467 K CA 1.617 57.947 56.287 0.071 0.000 0.933 467 K CB -0.065 32.465 32.500 0.050 0.000 0.728 467 K HN 0.043 nan 8.250 nan 0.000 0.454 468 K N 0.044 120.466 120.400 0.037 0.000 2.076 468 K HA 0.141 4.159 4.320 -0.504 0.000 0.204 468 K C 1.845 178.401 176.600 -0.074 0.000 1.051 468 K CA 1.158 57.436 56.287 -0.015 0.000 0.949 468 K CB -0.050 32.444 32.500 -0.009 0.000 0.726 468 K HN 0.097 nan 8.250 nan 0.000 0.443 469 L N 0.108 121.317 121.223 -0.023 0.000 2.141 469 L HA -0.147 3.890 4.340 -0.504 0.000 0.209 469 L C 2.024 178.823 176.870 -0.119 0.000 1.094 469 L CA 0.738 55.493 54.840 -0.141 0.000 0.763 469 L CB -0.337 41.804 42.059 0.136 0.000 0.908 469 L HN 0.010 nan 8.230 nan 0.000 0.437 470 V N -0.099 119.880 119.914 0.108 0.000 2.358 470 V HA -0.232 3.585 4.120 -0.504 0.000 0.246 470 V C 2.363 178.483 176.094 0.043 0.000 1.047 470 V CA 1.588 63.999 62.300 0.185 0.000 1.035 470 V CB -0.382 31.560 31.823 0.199 0.000 0.658 470 V HN 0.459 nan 8.190 nan 0.000 0.452 471 E N 0.173 120.357 120.200 -0.028 0.000 2.058 471 E HA -0.315 3.732 4.350 -0.504 0.000 0.194 471 E C 2.238 178.747 176.600 -0.152 0.000 0.997 471 E CA 1.618 57.979 56.400 -0.065 0.000 0.801 471 E CB -0.186 29.475 29.700 -0.065 0.000 0.746 471 E HN 0.517 nan 8.360 nan 0.000 0.450 472 K N -0.029 120.182 120.400 -0.314 0.000 2.097 472 K HA -0.137 3.881 4.320 -0.504 0.000 0.206 472 K C 1.366 177.628 176.600 -0.562 0.000 1.049 472 K CA 1.341 57.295 56.287 -0.555 0.000 0.933 472 K CB 0.049 31.991 32.500 -0.931 0.000 0.717 472 K HN 0.012 nan 8.250 nan 0.000 0.442 473 F N -0.470 119.308 119.950 -0.286 0.000 2.727 473 F HA 0.362 4.584 4.527 -0.508 0.000 0.302 473 F C 0.894 176.627 175.800 -0.112 0.000 1.107 473 F CA 0.297 58.072 58.000 -0.375 0.000 1.277 473 F CB 0.713 39.119 39.000 -0.990 0.000 1.079 473 F HN 0.202 nan 8.300 nan 0.000 0.594 474 G N 1.176 110.068 108.800 0.154 0.000 2.707 474 G HA2 -0.230 3.428 3.960 -0.504 0.000 0.686 474 G HA3 -0.230 3.428 3.960 -0.504 0.000 0.686 474 G C 0.617 175.667 174.900 0.250 0.000 1.315 474 G CA -0.210 44.989 45.100 0.165 0.000 0.832 474 G HN 0.370 nan 8.290 nan 0.000 0.573 475 K N -0.403 120.106 120.400 0.180 0.000 2.361 475 K HA 0.202 4.219 4.320 -0.504 0.000 0.196 475 K C 1.496 178.201 176.600 0.174 0.000 1.039 475 K CA 1.213 57.602 56.287 0.170 0.000 1.001 475 K CB 0.313 32.880 32.500 0.111 0.000 0.795 475 K HN 0.389 nan 8.250 nan 0.000 0.495 476 E N 0.733 121.043 120.200 0.184 0.000 2.152 476 E HA -0.162 3.886 4.350 -0.504 0.000 0.192 476 E C 1.449 178.169 176.600 0.200 0.000 0.983 476 E CA 0.897 57.413 56.400 0.193 0.000 0.818 476 E CB -0.087 29.706 29.700 0.157 0.000 0.758 476 E HN 0.526 nan 8.360 nan 0.000 0.467 477 W N 1.516 122.839 121.300 0.038 0.000 2.409 477 W HA -0.042 4.310 4.660 -0.515 0.000 0.299 477 W C 2.317 178.828 176.519 -0.014 0.000 1.203 477 W CA 1.895 59.235 57.345 -0.009 0.000 1.298 477 W CB -0.226 29.230 29.460 -0.006 0.000 1.127 477 W HN 0.011 nan 8.180 nan 0.000 0.528 478 A N -0.236 122.648 122.820 0.106 0.000 1.933 478 A HA -0.299 3.718 4.320 -0.504 0.000 0.218 478 A C 1.765 179.232 177.584 -0.194 0.000 1.175 478 A CA 2.167 54.156 52.037 -0.081 0.000 0.628 478 A CB -1.495 17.579 19.000 0.123 0.000 0.814 478 A HN 0.689 nan 8.150 nan 0.000 0.444 479 H N -1.037 117.906 119.070 -0.211 0.000 2.502 479 H HA 0.359 4.612 4.556 -0.505 0.000 0.283 479 H C 1.666 176.812 175.328 -0.303 0.000 1.015 479 H CA 1.354 57.213 56.048 -0.315 0.000 1.298 479 H CB -0.108 29.413 29.762 -0.401 0.000 1.411 479 H HN 0.324 nan 8.280 nan 0.000 0.556 480 A N -0.598 121.817 122.820 -0.674 0.000 2.081 480 A HA 0.116 4.133 4.320 -0.504 0.000 0.214 480 A C 1.792 179.077 177.584 -0.498 0.000 1.158 480 A CA 1.177 52.828 52.037 -0.644 0.000 0.724 480 A CB 0.047 18.788 19.000 -0.430 0.000 0.826 480 A HN 0.538 nan 8.150 nan 0.000 0.463 481 T N -1.792 112.416 114.554 -0.577 0.000 3.177 481 T HA 0.229 4.277 4.350 -0.504 0.000 0.262 481 T C 1.480 175.915 174.700 -0.442 0.000 0.959 481 T CA 0.257 62.039 62.100 -0.529 0.000 0.996 481 T CB -0.059 68.387 68.868 -0.704 0.000 1.185 481 T HN 0.119 nan 8.240 nan 0.000 0.486 482 I N 1.560 121.824 120.570 -0.511 0.000 2.260 482 I HA 0.162 4.029 4.170 -0.504 0.000 0.237 482 I C 2.348 178.358 176.117 -0.178 0.000 1.075 482 I CA 1.038 62.158 61.300 -0.300 0.000 1.376 482 I CB -1.010 36.840 38.000 -0.250 0.000 1.107 482 I HN 0.154 nan 8.210 nan 0.000 0.420 483 I N 1.321 121.792 120.570 -0.165 0.000 2.151 483 I HA -0.232 3.636 4.170 -0.504 0.000 0.243 483 I C -0.415 175.655 176.117 -0.078 0.000 1.080 483 I CA 1.778 63.024 61.300 -0.090 0.000 1.339 483 I CB -1.734 36.226 38.000 -0.066 0.000 1.039 483 I HN 0.154 nan 8.210 nan 0.000 0.409 484 P HA -0.237 nan 4.420 nan 0.000 0.214 484 P C 1.447 178.706 177.300 -0.069 0.000 1.172 484 P CA 1.782 64.830 63.100 -0.087 0.000 0.925 484 P CB -0.103 31.520 31.700 -0.129 0.000 0.793 485 K N -0.674 119.672 120.400 -0.090 0.000 2.103 485 K HA -0.098 3.919 4.320 -0.504 0.000 0.207 485 K C 2.062 178.634 176.600 -0.047 0.000 1.048 485 K CA 1.196 57.441 56.287 -0.072 0.000 0.930 485 K CB -0.917 31.531 32.500 -0.087 0.000 0.716 485 K HN -0.035 nan 8.250 nan 0.000 0.444 486 V N 1.966 121.856 119.914 -0.040 0.000 2.332 486 V HA -0.254 3.564 4.120 -0.504 0.000 0.248 486 V C 2.162 178.249 176.094 -0.011 0.000 1.055 486 V CA 1.651 63.942 62.300 -0.015 0.000 1.038 486 V CB -0.389 31.431 31.823 -0.004 0.000 0.651 486 V HN 0.295 nan 8.190 nan 0.000 0.450 487 L N -0.016 121.199 121.223 -0.013 0.000 2.093 487 L HA -0.118 3.919 4.340 -0.504 0.000 0.208 487 L C 2.744 179.610 176.870 -0.007 0.000 1.085 487 L CA 1.388 56.224 54.840 -0.006 0.000 0.755 487 L CB -0.965 41.097 42.059 0.004 0.000 0.904 487 L HN 0.358 nan 8.230 nan 0.000 0.435 488 A N 0.051 122.863 122.820 -0.014 0.000 2.042 488 A HA -0.259 3.759 4.320 -0.504 0.000 0.222 488 A C 2.325 179.908 177.584 -0.002 0.000 1.167 488 A CA 1.838 53.868 52.037 -0.012 0.000 0.649 488 A CB -0.537 18.449 19.000 -0.023 0.000 0.809 488 A HN 0.394 nan 8.150 nan 0.000 0.457 489 M N 0.344 119.944 119.600 -0.000 0.000 2.296 489 M HA -0.120 4.058 4.480 -0.504 0.000 0.265 489 M C 2.127 178.443 176.300 0.026 0.000 1.064 489 M CA 1.544 56.855 55.300 0.018 0.000 1.109 489 M CB -0.470 32.141 32.600 0.018 0.000 1.396 489 M HN 0.650 nan 8.290 nan 0.000 0.430 490 S N -0.539 115.165 115.700 0.007 0.000 2.603 490 S HA 0.016 4.183 4.470 -0.504 0.000 0.229 490 S C 1.511 176.118 174.600 0.012 0.000 0.972 490 S CA 0.744 58.945 58.200 0.002 0.000 0.935 490 S CB -0.589 62.604 63.200 -0.011 0.000 0.769 490 S HN 0.533 nan 8.310 nan 0.000 0.536 491 G N 0.034 108.845 108.800 0.019 0.000 3.159 491 G HA2 0.203 3.860 3.960 -0.504 0.000 0.232 491 G HA3 0.203 3.860 3.960 -0.504 0.000 0.232 491 G C -0.194 174.727 174.900 0.035 0.000 1.116 491 G CA -0.432 44.681 45.100 0.021 0.000 0.767 491 G HN 0.469 nan 8.290 nan 0.000 0.547 492 D N 0.832 121.265 120.400 0.054 0.000 2.443 492 D HA 0.250 4.588 4.640 -0.504 0.000 0.239 492 D C -1.262 175.076 176.300 0.064 0.000 1.136 492 D CA -1.303 52.745 54.000 0.082 0.000 0.879 492 D CB 1.921 42.812 40.800 0.152 0.000 1.195 492 D HN -0.011 nan 8.370 nan 0.000 0.443 493 P HA 0.039 nan 4.420 nan 0.000 0.249 493 P C -0.631 176.688 177.300 0.033 0.000 1.241 493 P CA 0.152 63.280 63.100 0.046 0.000 0.781 493 P CB 0.131 31.856 31.700 0.042 0.000 1.088 494 N N 0.584 119.274 118.700 -0.016 0.000 2.518 494 N HA 0.021 4.458 4.740 -0.504 0.000 0.254 494 N C 0.765 176.163 175.510 -0.188 0.000 0.979 494 N CA -0.690 52.259 53.050 -0.168 0.000 0.930 494 N CB 0.766 38.972 38.487 -0.469 0.000 1.152 494 N HN -0.017 nan 8.380 nan 0.000 0.505 495 Y N 2.930 123.166 120.300 -0.107 0.000 2.446 495 Y HA -0.097 4.153 4.550 -0.499 0.000 0.287 495 Y C 1.676 177.540 175.900 -0.060 0.000 1.159 495 Y CA 0.772 58.833 58.100 -0.065 0.000 1.297 495 Y CB -0.114 38.326 38.460 -0.034 0.000 0.974 495 Y HN 0.514 nan 8.280 nan 0.000 0.557 496 L N -0.120 120.742 121.223 -0.601 0.000 2.072 496 L HA -0.158 3.880 4.340 -0.504 0.000 0.205 496 L C 2.244 179.094 176.870 -0.034 0.000 1.079 496 L CA 1.779 56.404 54.840 -0.359 0.000 0.752 496 L CB -0.375 41.446 42.059 -0.397 0.000 0.906 496 L HN 0.405 nan 8.230 nan 0.000 0.436 497 H N -1.243 117.797 119.070 -0.051 0.000 2.363 497 H HA -0.127 4.129 4.556 -0.501 0.000 0.301 497 H C 2.302 177.619 175.328 -0.017 0.000 1.074 497 H CA 0.912 56.957 56.048 -0.006 0.000 1.354 497 H CB 0.116 29.878 29.762 -0.000 0.000 1.397 497 H HN 0.212 nan 8.280 nan 0.000 0.516 498 R N 0.645 121.195 120.500 0.083 0.000 2.105 498 R HA -0.125 3.912 4.340 -0.504 0.000 0.239 498 R C 2.227 178.496 176.300 -0.052 0.000 1.135 498 R CA 1.278 57.395 56.100 0.027 0.000 0.967 498 R CB -0.077 30.248 30.300 0.042 0.000 0.861 498 R HN 0.307 nan 8.270 nan 0.000 0.442 499 M N -0.182 119.373 119.600 -0.076 0.000 2.394 499 M HA -0.097 4.080 4.480 -0.504 0.000 0.264 499 M C 1.483 177.480 176.300 -0.506 0.000 1.073 499 M CA 1.615 56.753 55.300 -0.270 0.000 1.111 499 M CB 0.226 32.742 32.600 -0.140 0.000 1.401 499 M HN 0.286 nan 8.290 nan 0.000 0.448 500 T N -3.304 111.178 114.554 -0.121 0.000 2.985 500 T HA -0.032 4.015 4.350 -0.504 0.000 0.266 500 T C 1.525 176.214 174.700 -0.018 0.000 1.076 500 T CA 1.365 63.503 62.100 0.063 0.000 1.135 500 T CB -0.722 68.275 68.868 0.215 0.000 0.890 500 T HN 0.266 nan 8.240 nan 0.000 0.480 501 T N 2.966 117.480 114.554 -0.066 0.000 2.635 501 T HA -0.089 3.958 4.350 -0.504 0.000 0.267 501 T C 1.755 176.400 174.700 -0.091 0.000 1.040 501 T CA 1.276 63.344 62.100 -0.053 0.000 1.156 501 T CB -0.590 68.246 68.868 -0.053 0.000 0.863 501 T HN 0.132 nan 8.240 nan 0.000 0.430 502 L N 0.327 121.418 121.223 -0.221 0.000 1.990 502 L HA -0.046 3.991 4.340 -0.504 0.000 0.213 502 L C 2.250 179.036 176.870 -0.140 0.000 1.072 502 L CA 1.665 56.353 54.840 -0.252 0.000 0.755 502 L CB -1.454 40.341 42.059 -0.440 0.000 0.889 502 L HN 0.216 nan 8.230 nan 0.000 0.432 503 F N -1.116 118.827 119.950 -0.011 0.000 2.095 503 F HA -0.226 3.999 4.527 -0.504 0.000 0.298 503 F C 2.753 178.557 175.800 0.006 0.000 1.104 503 F CA 0.953 58.951 58.000 -0.005 0.000 1.232 503 F CB -1.777 37.225 39.000 0.004 0.000 0.987 503 F HN 0.110 nan 8.300 nan 0.000 0.475 504 C N 0.454 119.862 119.300 0.179 0.000 2.413 504 C HA -0.193 3.964 4.460 -0.504 0.000 0.276 504 C C 2.921 177.960 174.990 0.081 0.000 1.248 504 C CA 0.739 59.824 59.018 0.112 0.000 1.742 504 C CB -1.298 26.490 27.740 0.080 0.000 2.017 504 C HN 0.410 nan 8.230 nan 0.000 0.481 505 I N 1.257 121.861 120.570 0.056 0.000 2.142 505 I HA -0.216 3.651 4.170 -0.504 0.000 0.240 505 I C 2.191 178.340 176.117 0.053 0.000 1.078 505 I CA 1.730 63.055 61.300 0.042 0.000 1.343 505 I CB -0.869 37.140 38.000 0.016 0.000 1.046 505 I HN 0.478 nan 8.210 nan 0.000 0.405 506 N N 0.344 119.083 118.700 0.065 0.000 2.242 506 N HA -0.188 4.249 4.740 -0.504 0.000 0.191 506 N C 1.697 177.248 175.510 0.070 0.000 1.005 506 N CA 1.162 54.257 53.050 0.074 0.000 0.877 506 N CB 0.009 38.565 38.487 0.116 0.000 0.983 506 N HN 0.219 nan 8.380 nan 0.000 0.439 507 V N 0.658 120.618 119.914 0.076 0.000 2.581 507 V HA -0.013 3.804 4.120 -0.504 0.000 0.240 507 V C 2.113 178.243 176.094 0.060 0.000 1.054 507 V CA 0.560 62.898 62.300 0.064 0.000 1.076 507 V CB -0.175 31.689 31.823 0.069 0.000 0.748 507 V HN 0.172 nan 8.190 nan 0.000 0.474 508 L N 1.100 122.362 121.223 0.065 0.000 2.083 508 L HA -0.173 3.865 4.340 -0.504 0.000 0.209 508 L C 2.799 179.704 176.870 0.059 0.000 1.083 508 L CA 1.908 56.787 54.840 0.066 0.000 0.752 508 L CB -0.591 41.506 42.059 0.064 0.000 0.899 508 L HN 0.576 nan 8.230 nan 0.000 0.433 509 S N -0.506 115.226 115.700 0.053 0.000 2.402 509 S HA -0.271 3.896 4.470 -0.504 0.000 0.233 509 S C 1.655 176.281 174.600 0.044 0.000 1.030 509 S CA 1.566 59.794 58.200 0.047 0.000 1.003 509 S CB -0.502 62.722 63.200 0.040 0.000 0.813 509 S HN 0.518 nan 8.310 nan 0.000 0.477 510 E N 0.941 121.167 120.200 0.043 0.000 2.038 510 E HA -0.113 3.935 4.350 -0.504 0.000 0.195 510 E C 2.002 178.624 176.600 0.038 0.000 1.000 510 E CA 1.729 58.151 56.400 0.037 0.000 0.803 510 E CB -0.374 29.346 29.700 0.035 0.000 0.750 510 E HN 0.711 nan 8.360 nan 0.000 0.448 511 V N -2.170 117.771 119.914 0.044 0.000 3.596 511 V HA 0.152 3.969 4.120 -0.504 0.000 0.289 511 V C 1.085 177.214 176.094 0.057 0.000 1.336 511 V CA -0.057 62.271 62.300 0.046 0.000 1.137 511 V CB -0.062 31.789 31.823 0.047 0.000 0.966 511 V HN 0.228 nan 8.190 nan 0.000 0.428 512 C N 1.694 121.028 119.300 0.058 0.000 2.778 512 C HA 0.697 4.854 4.460 -0.504 0.000 0.294 512 C C 1.783 176.806 174.990 0.055 0.000 1.331 512 C CA 0.092 59.148 59.018 0.064 0.000 1.741 512 C CB -1.549 26.233 27.740 0.069 0.000 2.106 512 C HN 1.005 nan 8.230 nan 0.000 0.603 513 G N 1.251 110.078 108.800 0.045 0.000 2.575 513 G HA2 -0.348 3.309 3.960 -0.504 0.000 0.267 513 G HA3 -0.348 3.309 3.960 -0.504 0.000 0.267 513 G C 0.482 175.402 174.900 0.033 0.000 1.264 513 G CA 0.822 45.944 45.100 0.036 0.000 0.935 513 G HN 0.382 nan 8.290 nan 0.000 0.568 514 Q N -1.720 118.096 119.800 0.027 0.000 2.388 514 Q HA 0.118 4.155 4.340 -0.504 0.000 0.204 514 Q C 2.243 178.253 176.000 0.018 0.000 0.946 514 Q CA 1.040 56.855 55.803 0.020 0.000 0.880 514 Q CB 0.161 28.907 28.738 0.013 0.000 0.997 514 Q HN 0.625 nan 8.270 nan 0.000 0.552 515 D N 0.368 120.777 120.400 0.016 0.000 2.097 515 D HA -0.132 4.205 4.640 -0.504 0.000 0.195 515 D C 1.734 178.047 176.300 0.021 0.000 0.989 515 D CA 1.347 55.350 54.000 0.005 0.000 0.827 515 D CB 0.098 40.897 40.800 -0.002 0.000 0.966 515 D HN 0.261 nan 8.370 nan 0.000 0.456 516 I N 0.244 120.857 120.570 0.071 0.000 2.315 516 I HA -0.229 3.638 4.170 -0.504 0.000 0.248 516 I C 2.114 178.318 176.117 0.145 0.000 1.117 516 I CA 0.983 62.392 61.300 0.182 0.000 1.404 516 I CB -0.424 37.662 38.000 0.144 0.000 1.071 516 I HN 0.064 nan 8.210 nan 0.000 0.419 517 T N 0.096 114.697 114.554 0.077 0.000 2.674 517 T HA -0.173 3.874 4.350 -0.504 0.000 0.265 517 T C 1.981 176.700 174.700 0.031 0.000 1.039 517 T CA 2.159 64.293 62.100 0.057 0.000 1.150 517 T CB -0.756 68.136 68.868 0.040 0.000 0.864 517 T HN 0.514 nan 8.240 nan 0.000 0.427 518 T N 1.161 115.719 114.554 0.007 0.000 2.777 518 T HA -0.009 4.039 4.350 -0.504 0.000 0.266 518 T C 1.910 176.579 174.700 -0.052 0.000 1.040 518 T CA 0.891 62.981 62.100 -0.018 0.000 1.141 518 T CB -0.182 68.672 68.868 -0.022 0.000 0.868 518 T HN 0.341 nan 8.240 nan 0.000 0.444 519 K N -0.122 120.218 120.400 -0.100 0.000 2.067 519 K HA 0.050 4.067 4.320 -0.504 0.000 0.203 519 K C 2.556 178.994 176.600 -0.270 0.000 1.048 519 K CA 1.012 57.157 56.287 -0.237 0.000 0.954 519 K CB -0.067 32.190 32.500 -0.405 0.000 0.737 519 K HN 0.476 nan 8.250 nan 0.000 0.444 520 H N -0.708 118.356 119.070 -0.009 0.000 2.486 520 H HA 0.175 4.429 4.556 -0.504 0.000 0.287 520 H C 1.841 177.174 175.328 0.009 0.000 1.010 520 H CA 0.869 56.923 56.048 0.009 0.000 1.324 520 H CB 0.457 30.238 29.762 0.031 0.000 1.446 520 H HN 0.130 nan 8.280 nan 0.000 0.537 521 M N -0.322 119.345 119.600 0.112 0.000 2.755 521 M HA 0.007 4.184 4.480 -0.504 0.000 0.247 521 M C 2.276 178.592 176.300 0.027 0.000 1.275 521 M CA 0.223 55.562 55.300 0.064 0.000 1.252 521 M CB -0.047 32.589 32.600 0.060 0.000 1.215 521 M HN 0.033 nan 8.290 nan 0.000 0.527 522 L N 2.102 123.335 121.223 0.016 0.000 2.058 522 L HA -0.204 3.834 4.340 -0.504 0.000 0.226 522 L C -1.020 175.847 176.870 -0.005 0.000 1.089 522 L CA 2.621 57.462 54.840 0.001 0.000 0.799 522 L CB -1.804 40.253 42.059 -0.004 0.000 0.900 522 L HN 0.068 nan 8.230 nan 0.000 0.442 523 P HA -0.129 nan 4.420 nan 0.000 0.217 523 P C 1.574 178.869 177.300 -0.007 0.000 1.148 523 P CA 2.044 65.137 63.100 -0.011 0.000 0.828 523 P CB -0.193 31.497 31.700 -0.016 0.000 0.783 524 T N -1.355 113.197 114.554 -0.003 0.000 2.851 524 T HA -0.046 4.001 4.350 -0.504 0.000 0.262 524 T C 1.805 176.495 174.700 -0.017 0.000 1.043 524 T CA 0.836 62.932 62.100 -0.006 0.000 1.140 524 T CB -0.833 68.035 68.868 0.000 0.000 0.872 524 T HN -0.129 nan 8.240 nan 0.000 0.446 525 V N 2.056 121.958 119.914 -0.020 0.000 2.233 525 V HA -0.181 3.637 4.120 -0.504 0.000 0.247 525 V C 2.514 178.593 176.094 -0.026 0.000 1.050 525 V CA 1.703 63.984 62.300 -0.031 0.000 1.010 525 V CB -0.832 30.975 31.823 -0.027 0.000 0.637 525 V HN 0.427 nan 8.190 nan 0.000 0.444 526 L N -0.450 120.763 121.223 -0.017 0.000 1.990 526 L HA -0.265 3.772 4.340 -0.504 0.000 0.213 526 L C 2.744 179.607 176.870 -0.012 0.000 1.072 526 L CA 2.273 57.105 54.840 -0.012 0.000 0.755 526 L CB -0.753 41.300 42.059 -0.010 0.000 0.889 526 L HN 0.270 nan 8.230 nan 0.000 0.432 527 R N 0.335 120.828 120.500 -0.012 0.000 2.096 527 R HA -0.198 3.839 4.340 -0.504 0.000 0.240 527 R C 2.272 178.565 176.300 -0.011 0.000 1.139 527 R CA 1.751 57.845 56.100 -0.010 0.000 0.952 527 R CB -0.211 30.084 30.300 -0.008 0.000 0.854 527 R HN 0.303 nan 8.270 nan 0.000 0.436 528 M N 0.080 119.669 119.600 -0.018 0.000 2.632 528 M HA -0.055 4.122 4.480 -0.504 0.000 0.256 528 M C 2.015 178.302 176.300 -0.020 0.000 1.080 528 M CA 0.857 56.143 55.300 -0.023 0.000 1.084 528 M CB 0.011 32.586 32.600 -0.041 0.000 1.439 528 M HN 0.304 nan 8.290 nan 0.000 0.509 529 A N 0.402 123.214 122.820 -0.014 0.000 2.076 529 A HA -0.037 3.981 4.320 -0.504 0.000 0.220 529 A C 1.792 179.377 177.584 0.002 0.000 1.160 529 A CA 1.591 53.625 52.037 -0.005 0.000 0.653 529 A CB -0.844 18.156 19.000 -0.001 0.000 0.801 529 A HN 0.549 nan 8.150 nan 0.000 0.455 530 G N -0.320 108.479 108.800 -0.001 0.000 4.084 530 G HA2 0.327 3.984 3.960 -0.504 0.000 0.293 530 G HA3 0.327 3.984 3.960 -0.504 0.000 0.293 530 G C -0.502 174.398 174.900 0.001 0.000 1.303 530 G CA -0.173 44.928 45.100 0.002 0.000 1.289 530 G HN 0.346 nan 8.290 nan 0.000 0.609 531 D N 1.337 121.737 120.400 -0.001 0.000 2.264 531 D HA 0.171 4.508 4.640 -0.504 0.000 0.250 531 D C -1.126 175.171 176.300 -0.006 0.000 1.113 531 D CA -1.659 52.340 54.000 -0.003 0.000 0.871 531 D CB 2.657 43.454 40.800 -0.006 0.000 1.167 531 D HN 0.051 nan 8.370 nan 0.000 0.447 532 P HA -0.073 nan 4.420 nan 0.000 0.225 532 P C 0.413 177.689 177.300 -0.039 0.000 1.148 532 P CA 0.384 63.474 63.100 -0.017 0.000 0.779 532 P CB 0.365 32.057 31.700 -0.013 0.000 0.780 533 V N 0.344 120.224 119.914 -0.056 0.000 2.398 533 V HA 0.412 4.229 4.120 -0.504 0.000 0.286 533 V C 1.629 177.681 176.094 -0.070 0.000 1.026 533 V CA -0.069 62.157 62.300 -0.123 0.000 0.868 533 V CB 1.075 32.753 31.823 -0.241 0.000 0.982 533 V HN -0.033 nan 8.190 nan 0.000 0.443 534 A N 3.801 126.591 122.820 -0.050 0.000 1.873 534 A HA -0.129 3.888 4.320 -0.504 0.000 0.215 534 A C 1.938 179.625 177.584 0.171 0.000 1.186 534 A CA 1.591 53.657 52.037 0.047 0.000 0.616 534 A CB -0.555 18.466 19.000 0.035 0.000 0.823 534 A HN 0.816 nan 8.150 nan 0.000 0.442 535 N N 0.220 119.004 118.700 0.141 0.000 2.503 535 N HA -0.124 4.314 4.740 -0.504 0.000 0.189 535 N C 1.466 177.071 175.510 0.160 0.000 1.048 535 N CA 1.459 54.726 53.050 0.361 0.000 0.905 535 N CB -0.075 38.562 38.487 0.250 0.000 0.951 535 N HN 0.297 nan 8.380 nan 0.000 0.446 536 V N 0.872 120.816 119.914 0.050 0.000 2.374 536 V HA -0.053 3.764 4.120 -0.504 0.000 0.241 536 V C 2.322 178.358 176.094 -0.098 0.000 1.034 536 V CA 0.882 63.149 62.300 -0.055 0.000 1.037 536 V CB -0.302 31.511 31.823 -0.016 0.000 0.682 536 V HN 0.228 nan 8.190 nan 0.000 0.463 537 R N 0.568 121.071 120.500 0.006 0.000 2.103 537 R HA -0.239 3.798 4.340 -0.504 0.000 0.242 537 R C 2.358 178.684 176.300 0.042 0.000 1.142 537 R CA 2.343 58.459 56.100 0.027 0.000 0.960 537 R CB -0.846 29.497 30.300 0.072 0.000 0.858 537 R HN 0.694 nan 8.270 nan 0.000 0.439 538 F N 1.468 121.413 119.950 -0.008 0.000 2.186 538 F HA 0.002 4.227 4.527 -0.503 0.000 0.299 538 F C 1.656 177.395 175.800 -0.101 0.000 1.090 538 F CA 0.897 58.891 58.000 -0.010 0.000 1.307 538 F CB -0.457 38.566 39.000 0.037 0.000 1.019 538 F HN -0.179 nan 8.300 nan 0.000 0.489 539 N N 1.291 119.399 118.700 -0.987 0.000 2.188 539 N HA -0.131 4.306 4.740 -0.504 0.000 0.184 539 N C 2.028 177.320 175.510 -0.363 0.000 1.018 539 N CA 1.597 54.190 53.050 -0.761 0.000 0.858 539 N CB -0.654 37.404 38.487 -0.715 0.000 0.989 539 N HN 0.292 nan 8.380 nan 0.000 0.426 540 V N 1.209 120.972 119.914 -0.251 0.000 2.282 540 V HA -0.286 3.531 4.120 -0.504 0.000 0.249 540 V C 2.305 178.349 176.094 -0.083 0.000 1.057 540 V CA 2.039 64.256 62.300 -0.138 0.000 1.032 540 V CB -1.040 30.733 31.823 -0.083 0.000 0.645 540 V HN 0.348 nan 8.190 nan 0.000 0.447 541 A N -0.801 121.990 122.820 -0.048 0.000 1.898 541 A HA -0.206 3.811 4.320 -0.504 0.000 0.216 541 A C 2.310 179.897 177.584 0.005 0.000 1.181 541 A CA 1.808 53.853 52.037 0.013 0.000 0.620 541 A CB -0.414 18.641 19.000 0.092 0.000 0.819 541 A HN 0.534 nan 8.150 nan 0.000 0.442 542 K N -0.366 119.999 120.400 -0.058 0.000 2.026 542 K HA -0.137 3.881 4.320 -0.504 0.000 0.208 542 K C 2.454 179.037 176.600 -0.028 0.000 1.048 542 K CA 1.500 57.754 56.287 -0.055 0.000 0.929 542 K CB -0.268 32.117 32.500 -0.191 0.000 0.713 542 K HN 0.484 nan 8.250 nan 0.000 0.439 543 S N 1.084 116.746 115.700 -0.063 0.000 2.399 543 S HA -0.100 4.067 4.470 -0.504 0.000 0.231 543 S C 1.933 176.526 174.600 -0.012 0.000 1.022 543 S CA 0.890 59.069 58.200 -0.036 0.000 0.983 543 S CB -0.137 63.016 63.200 -0.079 0.000 0.803 543 S HN 0.213 nan 8.310 nan 0.000 0.480 544 L N 0.911 122.126 121.223 -0.013 0.000 2.109 544 L HA -0.041 3.996 4.340 -0.504 0.000 0.207 544 L C 2.914 179.792 176.870 0.013 0.000 1.086 544 L CA 1.548 56.389 54.840 0.001 0.000 0.760 544 L CB -0.457 41.603 42.059 0.001 0.000 0.910 544 L HN 0.461 nan 8.230 nan 0.000 0.437 545 Q N 0.177 119.991 119.800 0.022 0.000 2.167 545 Q HA -0.266 3.772 4.340 -0.504 0.000 0.202 545 Q C 2.060 178.079 176.000 0.032 0.000 0.970 545 Q CA 1.517 57.339 55.803 0.032 0.000 0.855 545 Q CB 0.225 28.993 28.738 0.050 0.000 0.911 545 Q HN 0.202 nan 8.270 nan 0.000 0.438 546 K N 0.673 121.092 120.400 0.031 0.000 2.098 546 K HA -0.042 3.975 4.320 -0.504 0.000 0.203 546 K C 1.943 178.560 176.600 0.029 0.000 1.051 546 K CA 1.153 57.461 56.287 0.035 0.000 0.957 546 K CB -0.132 32.393 32.500 0.041 0.000 0.738 546 K HN 0.444 nan 8.250 nan 0.000 0.447 547 I N -2.825 117.759 120.570 0.023 0.000 3.059 547 I HA 0.175 4.042 4.170 -0.504 0.000 0.270 547 I C 1.842 177.970 176.117 0.018 0.000 1.238 547 I CA 0.805 62.117 61.300 0.021 0.000 1.478 547 I CB -0.658 37.352 38.000 0.017 0.000 1.097 547 I HN 0.070 nan 8.210 nan 0.000 0.455 548 G N 2.942 111.752 108.800 0.017 0.000 2.628 548 G HA2 -0.225 3.432 3.960 -0.504 0.000 0.217 548 G HA3 -0.225 3.432 3.960 -0.504 0.000 0.217 548 G C -0.205 174.704 174.900 0.015 0.000 1.240 548 G CA 1.516 46.625 45.100 0.015 0.000 0.792 548 G HN 0.349 nan 8.290 nan 0.000 0.593 549 P HA -0.186 nan 4.420 nan 0.000 0.225 549 P C 1.588 178.897 177.300 0.015 0.000 1.154 549 P CA 1.429 64.539 63.100 0.017 0.000 0.885 549 P CB -0.129 31.583 31.700 0.019 0.000 0.785 550 I N -3.217 117.363 120.570 0.016 0.000 3.708 550 I HA 0.018 3.886 4.170 -0.504 0.000 0.302 550 I C 1.528 177.653 176.117 0.013 0.000 1.255 550 I CA -0.250 61.060 61.300 0.016 0.000 1.362 550 I CB 0.030 38.042 38.000 0.020 0.000 1.100 550 I HN -0.129 nan 8.210 nan 0.000 0.434 551 L N 0.965 122.195 121.223 0.011 0.000 2.453 551 L HA -0.093 3.944 4.340 -0.504 0.000 0.274 551 L C -0.201 176.672 176.870 0.005 0.000 1.270 551 L CA 0.534 55.378 54.840 0.007 0.000 0.822 551 L CB 0.136 42.198 42.059 0.006 0.000 1.091 551 L HN 0.078 nan 8.230 nan 0.000 0.546 552 D N -0.396 120.005 120.400 0.002 0.000 2.225 552 D HA 0.081 4.419 4.640 -0.504 0.000 0.249 552 D C 0.884 177.184 176.300 0.001 0.000 1.052 552 D CA -0.387 53.613 54.000 0.001 0.000 0.909 552 D CB 0.597 41.395 40.800 -0.003 0.000 1.186 552 D HN 0.416 nan 8.370 nan 0.000 0.431 553 N N 0.376 119.077 118.700 0.001 0.000 2.104 553 N HA -0.190 4.247 4.740 -0.504 0.000 0.190 553 N C 0.826 176.336 175.510 0.000 0.000 1.024 553 N CA 0.908 53.959 53.050 0.001 0.000 0.853 553 N CB -0.404 38.084 38.487 0.002 0.000 1.008 553 N HN 0.317 nan 8.380 nan 0.000 0.424 554 S N -1.374 114.325 115.700 -0.001 0.000 2.677 554 S HA 0.286 4.454 4.470 -0.504 0.000 0.246 554 S C 0.585 175.182 174.600 -0.004 0.000 1.005 554 S CA -0.373 57.825 58.200 -0.003 0.000 1.062 554 S CB 0.273 63.471 63.200 -0.003 0.000 0.778 554 S HN 0.299 nan 8.310 nan 0.000 0.461 555 T N 0.750 115.302 114.554 -0.004 0.000 3.177 555 T HA 0.294 4.341 4.350 -0.504 0.000 0.262 555 T C 1.389 176.087 174.700 -0.003 0.000 0.959 555 T CA -0.214 61.883 62.100 -0.005 0.000 0.996 555 T CB -0.291 68.573 68.868 -0.007 0.000 1.185 555 T HN 0.242 nan 8.240 nan 0.000 0.486 556 L N 1.493 122.716 121.223 -0.001 0.000 2.127 556 L HA -0.102 3.935 4.340 -0.504 0.000 0.211 556 L C 2.773 179.643 176.870 0.001 0.000 1.089 556 L CA 1.151 55.992 54.840 0.001 0.000 0.757 556 L CB -0.326 41.735 42.059 0.003 0.000 0.899 556 L HN 0.202 nan 8.230 nan 0.000 0.434 557 Q N -0.815 118.985 119.800 0.000 0.000 2.165 557 Q HA -0.063 3.974 4.340 -0.504 0.000 0.197 557 Q C 2.537 178.536 176.000 -0.001 0.000 0.952 557 Q CA 1.656 57.459 55.803 0.000 0.000 0.848 557 Q CB -0.084 28.654 28.738 0.000 0.000 0.931 557 Q HN 0.605 nan 8.270 nan 0.000 0.470 558 S N 0.276 115.975 115.700 -0.002 0.000 2.362 558 S HA -0.019 4.148 4.470 -0.504 0.000 0.221 558 S C 1.691 176.289 174.600 -0.004 0.000 1.032 558 S CA 0.877 59.075 58.200 -0.003 0.000 0.973 558 S CB -0.055 63.142 63.200 -0.005 0.000 0.849 558 S HN 0.294 nan 8.310 nan 0.000 0.465 559 E N 0.085 120.282 120.200 -0.004 0.000 2.290 559 E HA 0.193 4.240 4.350 -0.504 0.000 0.199 559 E C 1.926 178.524 176.600 -0.003 0.000 0.912 559 E CA 0.380 56.777 56.400 -0.005 0.000 0.924 559 E CB 0.361 30.056 29.700 -0.008 0.000 0.901 559 E HN 0.319 nan 8.360 nan 0.000 0.487 560 V N 1.683 121.596 119.914 -0.001 0.000 2.374 560 V HA -0.124 3.694 4.120 -0.504 0.000 0.241 560 V C 2.300 178.396 176.094 0.003 0.000 1.034 560 V CA 1.280 63.580 62.300 0.001 0.000 1.037 560 V CB -0.291 31.533 31.823 0.002 0.000 0.682 560 V HN 0.105 nan 8.190 nan 0.000 0.463 561 K N 0.465 120.867 120.400 0.003 0.000 2.020 561 K HA -0.221 3.796 4.320 -0.504 0.000 0.212 561 K C -0.076 176.528 176.600 0.005 0.000 1.050 561 K CA 2.282 58.572 56.287 0.005 0.000 0.929 561 K CB -1.257 31.245 32.500 0.004 0.000 0.714 561 K HN 0.353 nan 8.250 nan 0.000 0.443 562 P HA -0.212 nan 4.420 nan 0.000 0.216 562 P C 1.396 178.700 177.300 0.007 0.000 1.157 562 P CA 1.316 64.419 63.100 0.005 0.000 0.880 562 P CB -0.041 31.661 31.700 0.002 0.000 0.791 563 I N -1.710 118.864 120.570 0.006 0.000 2.315 563 I HA -0.155 3.712 4.170 -0.504 0.000 0.248 563 I C 2.347 178.472 176.117 0.014 0.000 1.117 563 I CA 1.335 62.640 61.300 0.008 0.000 1.404 563 I CB -1.319 36.684 38.000 0.004 0.000 1.071 563 I HN -0.020 nan 8.210 nan 0.000 0.419 564 L N 0.491 121.722 121.223 0.014 0.000 2.012 564 L HA -0.230 3.807 4.340 -0.504 0.000 0.210 564 L C 2.537 179.419 176.870 0.020 0.000 1.073 564 L CA 1.539 56.391 54.840 0.019 0.000 0.748 564 L CB -0.641 41.427 42.059 0.015 0.000 0.891 564 L HN 0.244 nan 8.230 nan 0.000 0.431 565 E N 0.591 120.800 120.200 0.015 0.000 2.023 565 E HA -0.289 3.758 4.350 -0.504 0.000 0.196 565 E C 2.050 178.660 176.600 0.017 0.000 1.003 565 E CA 1.872 58.280 56.400 0.014 0.000 0.809 565 E CB -0.122 29.584 29.700 0.010 0.000 0.755 565 E HN 0.463 nan 8.360 nan 0.000 0.449 566 K N 1.063 121.472 120.400 0.016 0.000 2.362 566 K HA -0.102 3.915 4.320 -0.504 0.000 0.200 566 K C 1.755 178.369 176.600 0.023 0.000 1.046 566 K CA 1.057 57.354 56.287 0.017 0.000 0.952 566 K CB -0.195 32.313 32.500 0.013 0.000 0.753 566 K HN 0.099 nan 8.250 nan 0.000 0.466 567 L N 1.617 122.857 121.223 0.029 0.000 2.217 567 L HA -0.093 3.945 4.340 -0.504 0.000 0.211 567 L C 2.413 179.312 176.870 0.049 0.000 1.107 567 L CA 1.533 56.399 54.840 0.043 0.000 0.783 567 L CB -0.684 41.406 42.059 0.052 0.000 0.919 567 L HN 0.590 nan 8.230 nan 0.000 0.442 568 T N -3.557 111.021 114.554 0.040 0.000 2.962 568 T HA -0.183 3.865 4.350 -0.504 0.000 0.270 568 T C 1.394 176.114 174.700 0.033 0.000 1.088 568 T CA 0.579 62.702 62.100 0.039 0.000 1.127 568 T CB -0.172 68.713 68.868 0.028 0.000 0.883 568 T HN 0.222 nan 8.240 nan 0.000 0.493 569 Q N 1.966 121.782 119.800 0.028 0.000 2.380 569 Q HA 0.217 4.254 4.340 -0.504 0.000 0.254 569 Q C -0.515 175.500 176.000 0.025 0.000 0.927 569 Q CA 0.272 56.089 55.803 0.023 0.000 0.950 569 Q CB -0.281 28.467 28.738 0.017 0.000 1.206 569 Q HN 0.613 nan 8.270 nan 0.000 0.414 570 D N 0.823 121.242 120.400 0.032 0.000 2.649 570 D HA 0.031 4.368 4.640 -0.504 0.000 0.249 570 D C 0.609 176.928 176.300 0.032 0.000 1.112 570 D CA -0.228 53.792 54.000 0.034 0.000 0.850 570 D CB 1.482 42.311 40.800 0.048 0.000 1.399 570 D HN 0.082 nan 8.370 nan 0.000 0.503 571 Q N 2.678 122.491 119.800 0.022 0.000 2.403 571 Q HA -0.030 4.007 4.340 -0.504 0.000 0.203 571 Q C -0.128 175.880 176.000 0.014 0.000 0.932 571 Q CA 0.221 56.033 55.803 0.016 0.000 0.945 571 Q CB 0.264 29.007 28.738 0.008 0.000 1.045 571 Q HN 0.452 nan 8.270 nan 0.000 0.511 572 D N 0.922 121.334 120.400 0.021 0.000 2.390 572 D HA 0.023 4.360 4.640 -0.504 0.000 0.249 572 D C 1.057 177.371 176.300 0.024 0.000 1.144 572 D CA -0.097 53.913 54.000 0.016 0.000 0.880 572 D CB 1.657 42.471 40.800 0.025 0.000 1.182 572 D HN -0.082 nan 8.370 nan 0.000 0.451 573 V N 4.271 124.186 119.914 0.002 0.000 2.237 573 V HA -0.228 3.589 4.120 -0.504 0.000 0.245 573 V C 1.999 178.111 176.094 0.029 0.000 1.046 573 V CA 1.542 63.841 62.300 -0.001 0.000 1.007 573 V CB -0.386 31.414 31.823 -0.038 0.000 0.638 573 V HN 0.617 nan 8.190 nan 0.000 0.445 574 D N -0.110 120.291 120.400 0.002 0.000 2.144 574 D HA -0.118 4.219 4.640 -0.504 0.000 0.199 574 D C 2.195 178.638 176.300 0.237 0.000 0.984 574 D CA 1.196 55.237 54.000 0.068 0.000 0.834 574 D CB -0.263 40.446 40.800 -0.153 0.000 0.955 574 D HN 0.272 nan 8.370 nan 0.000 0.465 575 V N 2.250 122.258 119.914 0.156 0.000 2.219 575 V HA -0.311 3.507 4.120 -0.504 0.000 0.248 575 V C 2.514 178.749 176.094 0.234 0.000 1.053 575 V CA 2.474 64.924 62.300 0.248 0.000 1.009 575 V CB -0.628 31.297 31.823 0.169 0.000 0.636 575 V HN 0.363 nan 8.190 nan 0.000 0.445 576 K N -0.433 120.060 120.400 0.155 0.000 2.281 576 K HA -0.264 3.753 4.320 -0.504 0.000 0.203 576 K C 2.189 178.867 176.600 0.129 0.000 1.046 576 K CA 2.265 58.623 56.287 0.119 0.000 0.938 576 K CB -0.617 31.932 32.500 0.080 0.000 0.737 576 K HN 0.583 nan 8.250 nan 0.000 0.458 577 Y N 0.971 121.282 120.300 0.019 0.000 2.184 577 Y HA -0.047 4.200 4.550 -0.505 0.000 0.290 577 Y C 1.592 177.430 175.900 -0.104 0.000 1.129 577 Y CA 1.076 59.120 58.100 -0.092 0.000 1.144 577 Y CB -0.310 38.021 38.460 -0.216 0.000 0.995 577 Y HN -0.057 nan 8.280 nan 0.000 0.513 578 F N 0.291 120.149 119.950 -0.154 0.000 2.206 578 F HA -0.038 4.188 4.527 -0.502 0.000 0.298 578 F C 2.606 178.337 175.800 -0.115 0.000 1.090 578 F CA 1.226 59.102 58.000 -0.206 0.000 1.323 578 F CB -0.979 38.085 39.000 0.107 0.000 1.028 578 F HN 0.183 nan 8.300 nan 0.000 0.492 579 A N -0.491 122.412 122.820 0.138 0.000 1.877 579 A HA -0.284 3.734 4.320 -0.504 0.000 0.216 579 A C 2.058 179.643 177.584 0.002 0.000 1.186 579 A CA 1.850 53.930 52.037 0.073 0.000 0.620 579 A CB -0.884 18.164 19.000 0.081 0.000 0.822 579 A HN 0.359 nan 8.150 nan 0.000 0.443 580 Q N -0.535 119.243 119.800 -0.036 0.000 2.364 580 Q HA -0.118 3.919 4.340 -0.504 0.000 0.207 580 Q C 1.812 177.734 176.000 -0.129 0.000 0.970 580 Q CA 1.790 57.556 55.803 -0.063 0.000 0.888 580 Q CB -0.131 28.585 28.738 -0.037 0.000 0.951 580 Q HN 0.808 nan 8.270 nan 0.000 0.469 581 E N -1.532 118.527 120.200 -0.235 0.000 2.102 581 E HA -0.009 4.038 4.350 -0.504 0.000 0.190 581 E C 1.732 178.278 176.600 -0.090 0.000 0.971 581 E CA 0.612 56.860 56.400 -0.253 0.000 0.821 581 E CB -0.088 29.301 29.700 -0.517 0.000 0.777 581 E HN 0.403 nan 8.360 nan 0.000 0.460 582 A N 1.392 124.195 122.820 -0.028 0.000 1.883 582 A HA -0.211 3.807 4.320 -0.504 0.000 0.217 582 A C 2.153 179.737 177.584 -0.000 0.000 1.186 582 A CA 1.330 53.375 52.037 0.012 0.000 0.624 582 A CB -0.904 18.118 19.000 0.036 0.000 0.822 582 A HN 0.298 nan 8.150 nan 0.000 0.444 583 L N -0.710 120.508 121.223 -0.008 0.000 2.010 583 L HA -0.269 3.768 4.340 -0.504 0.000 0.219 583 L C 2.743 179.609 176.870 -0.006 0.000 1.077 583 L CA 2.191 57.028 54.840 -0.005 0.000 0.773 583 L CB -0.841 41.213 42.059 -0.008 0.000 0.892 583 L HN 0.436 nan 8.230 nan 0.000 0.436 584 T N -1.977 112.568 114.554 -0.015 0.000 3.035 584 T HA -0.011 4.037 4.350 -0.504 0.000 0.259 584 T C 1.802 176.499 174.700 -0.004 0.000 1.078 584 T CA 0.591 62.685 62.100 -0.010 0.000 1.132 584 T CB 0.078 68.936 68.868 -0.016 0.000 0.900 584 T HN 0.051 nan 8.240 nan 0.000 0.480 585 V N 1.325 121.237 119.914 -0.004 0.000 2.970 585 V HA 0.089 3.907 4.120 -0.504 0.000 0.260 585 V C 1.988 178.088 176.094 0.011 0.000 1.100 585 V CA 1.120 63.424 62.300 0.007 0.000 1.122 585 V CB -0.552 31.280 31.823 0.014 0.000 0.721 585 V HN 0.432 nan 8.190 nan 0.000 0.483 586 L N -0.478 120.750 121.223 0.009 0.000 2.554 586 L HA 0.163 4.200 4.340 -0.504 0.000 0.225 586 L C 1.154 178.028 176.870 0.007 0.000 1.104 586 L CA 0.318 55.164 54.840 0.010 0.000 0.866 586 L CB 0.100 42.165 42.059 0.010 0.000 1.047 586 L HN 0.372 nan 8.230 nan 0.000 0.468 587 S N 0.028 115.731 115.700 0.005 0.000 3.749 587 S HA -0.158 4.009 4.470 -0.504 0.000 0.348 587 S C 0.667 175.269 174.600 0.004 0.000 1.045 587 S CA 0.564 58.767 58.200 0.004 0.000 1.051 587 S CB -1.804 61.400 63.200 0.006 0.000 0.898 587 S HN 0.368 nan 8.310 nan 0.000 0.472 588 L N -1.699 119.526 121.223 0.003 0.000 2.781 588 L HA 0.523 4.560 4.340 -0.504 0.000 0.245 588 L C 1.153 178.025 176.870 0.002 0.000 1.118 588 L CA 0.496 55.337 54.840 0.003 0.000 0.918 588 L CB 0.090 42.151 42.059 0.004 0.000 1.246 588 L HN 0.483 nan 8.230 nan 0.000 0.526 589 A N 0.000 122.821 122.820 0.002 0.000 2.254 589 A HA 0.000 4.017 4.320 -0.504 0.000 0.244 589 A CA 0.000 52.038 52.037 0.001 0.000 0.836 589 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 589 A HN 0.000 nan 8.150 nan 0.000 0.486