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 3ogm_1_D DATA FIRST_RESID 12 DATA SEQUENCE SCVATVDDVI EQVMTYITDP KDRDSASLVC RRWFKIDSET REHVTMALCY DATA SEQUENCE TATPDRLSRR FPNLRSLKLK GKPRAAMFNL IPENWGGYVT PWVTEISNNL DATA SEQUENCE RQLKSVHFRR MIVSDLDLDR LAKARADDLE TLKLDKCSGF TTDGLLSIVT DATA SEQUENCE HCRKIKTLLM EESSFSEKDG KWLHELAQHN TSLEVLNFYM TEFAKISPKD DATA SEQUENCE LETIARNCRS LVSVKVGDFE ILELVGFFKA AANLEEFCGG SLNEDIGMPE DATA SEQUENCE KYMNLVFPRK LCRLGLSYMG PNEMPILFPF AAQIRKLDLL YALLETEDHC DATA SEQUENCE TLIQKCPNLE VLETRNVIGD RGLEVLAQYC KQLKRLRIER GADEQGMEDE DATA SEQUENCE EGLVSQRGLI ALAQGCQELE YMAVYVSDIT NESLESIGTY LKNLCDFRLV DATA SEQUENCE LLDREERITD LPLDNGVRSL LIGCKKLRRF AFYLRQGGLT DLGLSYIGQY DATA SEQUENCE SPNVRWMLLG YVGESDEGLM EFSRGCPNLQ KLEMRGCCFS ERAIAAAVTK DATA SEQUENCE LPSLRYLWVQ GYRASMTGQD LMQMARPYWN IELIPSRRXX XXXXXXXXXX DATA SEQUENCE XEHPAHILAY YSLAGQRTDC PTTVRVLKEP I 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 12 S HA 0.000 nan 4.470 nan 0.000 0.327 12 S C 0.000 174.605 174.600 0.008 0.000 1.055 12 S CA 0.000 58.205 58.200 0.008 0.000 1.107 12 S CB 0.000 63.204 63.200 0.007 0.000 0.593 13 C N 2.939 122.245 119.300 0.010 0.000 2.328 13 C HA 0.826 5.741 4.460 0.759 0.000 0.378 13 C C 0.779 175.776 174.990 0.012 0.000 1.249 13 C CA -0.234 58.790 59.018 0.011 0.000 2.204 13 C CB 0.788 28.535 27.740 0.013 0.000 2.218 13 C HN 0.951 nan 8.230 nan 0.000 0.564 14 V N 2.819 122.740 119.914 0.012 0.000 2.788 14 V HA 0.325 4.900 4.120 0.759 0.000 0.307 14 V C 0.822 176.926 176.094 0.017 0.000 1.069 14 V CA 0.108 62.416 62.300 0.013 0.000 1.173 14 V CB -0.078 31.753 31.823 0.014 0.000 0.925 14 V HN 1.034 nan 8.190 nan 0.000 0.492 15 A N 4.110 126.940 122.820 0.016 0.000 2.309 15 A HA 0.600 5.376 4.320 0.759 0.000 0.290 15 A C 0.546 178.146 177.584 0.027 0.000 1.206 15 A CA -0.358 51.691 52.037 0.020 0.000 0.850 15 A CB -0.070 18.939 19.000 0.014 0.000 1.118 15 A HN 0.927 nan 8.150 nan 0.000 0.523 16 T N 1.362 115.937 114.554 0.036 0.000 2.897 16 T HA 0.348 5.154 4.350 0.759 0.000 0.278 16 T C 1.610 176.349 174.700 0.066 0.000 0.981 16 T CA -0.365 61.766 62.100 0.052 0.000 0.973 16 T CB 1.137 70.042 68.868 0.060 0.000 1.092 16 T HN 0.360 nan 8.240 nan 0.000 0.543 17 V N 0.274 120.248 119.914 0.100 0.000 2.490 17 V HA -0.134 4.441 4.120 0.759 0.000 0.250 17 V C 2.303 178.473 176.094 0.127 0.000 1.061 17 V CA 1.836 64.217 62.300 0.134 0.000 1.064 17 V CB -0.897 31.073 31.823 0.246 0.000 0.670 17 V HN 0.883 nan 8.190 nan 0.000 0.461 18 D N 0.683 121.168 120.400 0.142 0.000 2.149 18 D HA -0.190 4.905 4.640 0.759 0.000 0.198 18 D C 1.587 177.918 176.300 0.052 0.000 0.990 18 D CA 1.216 55.290 54.000 0.122 0.000 0.839 18 D CB -0.187 40.685 40.800 0.121 0.000 0.948 18 D HN 0.416 nan 8.370 nan 0.000 0.460 19 D N -0.640 119.785 120.400 0.042 0.000 2.352 19 D HA -0.021 5.074 4.640 0.759 0.000 0.232 19 D C 0.855 177.157 176.300 0.003 0.000 1.055 19 D CA 0.180 54.192 54.000 0.021 0.000 0.891 19 D CB 1.127 41.940 40.800 0.022 0.000 0.897 19 D HN 0.126 nan 8.370 nan 0.000 0.529 20 V N 0.153 120.061 119.914 -0.009 0.000 3.623 20 V HA 0.011 4.586 4.120 0.759 0.000 0.283 20 V C 1.107 177.159 176.094 -0.070 0.000 1.643 20 V CA -0.114 62.169 62.300 -0.029 0.000 1.121 20 V CB 0.626 32.437 31.823 -0.020 0.000 0.933 20 V HN -0.062 nan 8.190 nan 0.000 0.420 21 I N 0.799 121.302 120.570 -0.111 0.000 2.500 21 I HA -0.024 4.602 4.170 0.759 0.000 0.252 21 I C 2.044 178.026 176.117 -0.224 0.000 1.142 21 I CA 1.953 63.101 61.300 -0.252 0.000 1.451 21 I CB -0.122 37.602 38.000 -0.460 0.000 1.093 21 I HN 0.371 nan 8.210 nan 0.000 0.430 22 E N 0.115 120.231 120.200 -0.141 0.000 2.130 22 E HA -0.276 4.530 4.350 0.759 0.000 0.196 22 E C 2.049 178.617 176.600 -0.053 0.000 0.998 22 E CA 1.408 57.752 56.400 -0.094 0.000 0.806 22 E CB -0.202 29.467 29.700 -0.052 0.000 0.738 22 E HN 0.653 nan 8.360 nan 0.000 0.459 23 Q N 0.239 120.022 119.800 -0.028 0.000 2.020 23 Q HA -0.102 4.693 4.340 0.759 0.000 0.198 23 Q C 2.546 178.603 176.000 0.095 0.000 0.974 23 Q CA 1.142 56.969 55.803 0.039 0.000 0.829 23 Q CB -0.166 28.588 28.738 0.028 0.000 0.894 23 Q HN 0.203 nan 8.270 nan 0.000 0.433 24 V N 1.290 121.203 119.914 -0.002 0.000 2.392 24 V HA -0.289 4.287 4.120 0.759 0.000 0.249 24 V C 2.373 178.508 176.094 0.069 0.000 1.059 24 V CA 1.772 64.073 62.300 0.002 0.000 1.051 24 V CB -0.572 31.190 31.823 -0.101 0.000 0.658 24 V HN 0.317 nan 8.190 nan 0.000 0.455 25 M N 1.637 121.209 119.600 -0.047 0.000 2.143 25 M HA -0.194 4.741 4.480 0.759 0.000 0.258 25 M C 2.107 178.412 176.300 0.009 0.000 1.071 25 M CA 2.522 57.784 55.300 -0.063 0.000 1.088 25 M CB -0.863 31.661 32.600 -0.126 0.000 1.360 25 M HN 0.574 nan 8.290 nan 0.000 0.404 26 T N -2.767 111.805 114.554 0.030 0.000 3.215 26 T HA -0.040 4.766 4.350 0.759 0.000 0.254 26 T C 0.748 175.352 174.700 -0.160 0.000 1.149 26 T CA 0.551 62.612 62.100 -0.064 0.000 1.042 26 T CB -0.688 68.114 68.868 -0.109 0.000 0.966 26 T HN 0.484 nan 8.240 nan 0.000 0.534 27 Y N 0.473 120.747 120.300 -0.043 0.000 2.481 27 Y HA 0.504 5.509 4.550 0.759 0.000 0.247 27 Y C 0.645 176.531 175.900 -0.024 0.000 1.151 27 Y CA -1.314 56.767 58.100 -0.031 0.000 1.238 27 Y CB 0.334 38.778 38.460 -0.028 0.000 1.179 27 Y HN 0.274 nan 8.280 nan 0.000 0.524 28 I N 0.211 120.836 120.570 0.092 0.000 2.297 28 I HA 0.112 4.737 4.170 0.759 0.000 0.291 28 I C 1.178 177.303 176.117 0.014 0.000 1.033 28 I CA 0.044 61.377 61.300 0.054 0.000 1.253 28 I CB 1.489 39.518 38.000 0.049 0.000 1.396 28 I HN -0.014 nan 8.210 nan 0.000 0.476 29 T N 2.531 117.089 114.554 0.007 0.000 3.021 29 T HA -0.033 4.772 4.350 0.759 0.000 0.245 29 T C 0.799 175.488 174.700 -0.017 0.000 1.028 29 T CA 0.193 62.281 62.100 -0.020 0.000 1.139 29 T CB 0.020 68.871 68.868 -0.028 0.000 0.884 29 T HN 0.589 nan 8.240 nan 0.000 0.457 30 D N 2.287 122.687 120.400 0.000 0.000 2.570 30 D HA 0.039 5.135 4.640 0.759 0.000 0.243 30 D C -1.668 174.637 176.300 0.008 0.000 1.171 30 D CA -1.546 52.456 54.000 0.003 0.000 0.879 30 D CB 1.453 42.265 40.800 0.020 0.000 1.143 30 D HN 0.164 nan 8.370 nan 0.000 0.511 31 P HA -0.147 nan 4.420 nan 0.000 0.219 31 P C 0.938 178.259 177.300 0.036 0.000 1.146 31 P CA 1.149 64.252 63.100 0.005 0.000 0.808 31 P CB 0.292 31.986 31.700 -0.009 0.000 0.779 32 K N -0.911 119.512 120.400 0.039 0.000 2.400 32 K HA -0.008 4.768 4.320 0.759 0.000 0.194 32 K C 1.305 177.944 176.600 0.064 0.000 1.033 32 K CA 0.876 57.195 56.287 0.054 0.000 1.021 32 K CB -0.386 32.143 32.500 0.048 0.000 0.808 32 K HN -0.011 nan 8.250 nan 0.000 0.505 33 D N -0.567 119.870 120.400 0.062 0.000 2.277 33 D HA 0.018 5.113 4.640 0.759 0.000 0.209 33 D C 1.594 177.953 176.300 0.099 0.000 0.970 33 D CA 0.260 54.307 54.000 0.079 0.000 0.874 33 D CB 0.328 41.170 40.800 0.070 0.000 0.982 33 D HN -0.018 nan 8.370 nan 0.000 0.504 34 R N 1.055 121.606 120.500 0.084 0.000 2.081 34 R HA -0.106 4.690 4.340 0.759 0.000 0.235 34 R C 1.673 178.052 176.300 0.132 0.000 1.131 34 R CA 0.844 57.004 56.100 0.100 0.000 0.960 34 R CB -0.847 29.494 30.300 0.068 0.000 0.856 34 R HN 0.227 nan 8.270 nan 0.000 0.436 35 D N 0.232 120.704 120.400 0.119 0.000 2.133 35 D HA -0.144 4.951 4.640 0.759 0.000 0.192 35 D C 1.625 178.007 176.300 0.136 0.000 1.001 35 D CA 2.060 56.138 54.000 0.130 0.000 0.844 35 D CB 0.111 40.973 40.800 0.104 0.000 0.944 35 D HN 0.104 nan 8.370 nan 0.000 0.447 36 S N -0.579 115.195 115.700 0.124 0.000 2.362 36 S HA -0.007 4.918 4.470 0.759 0.000 0.221 36 S C 2.086 176.787 174.600 0.169 0.000 1.032 36 S CA 0.752 59.025 58.200 0.122 0.000 0.973 36 S CB -0.308 62.952 63.200 0.101 0.000 0.849 36 S HN 0.409 nan 8.310 nan 0.000 0.465 37 A N 2.034 124.987 122.820 0.221 0.000 2.024 37 A HA -0.107 4.668 4.320 0.759 0.000 0.220 37 A C 2.255 180.076 177.584 0.394 0.000 1.164 37 A CA 1.818 54.076 52.037 0.368 0.000 0.643 37 A CB -0.797 18.395 19.000 0.320 0.000 0.806 37 A HN 0.606 nan 8.150 nan 0.000 0.451 38 S N -1.001 114.868 115.700 0.282 0.000 2.489 38 S HA 0.145 5.070 4.470 0.759 0.000 0.228 38 S C 1.345 176.154 174.600 0.349 0.000 0.995 38 S CA 0.853 59.241 58.200 0.314 0.000 0.934 38 S CB -0.276 63.084 63.200 0.266 0.000 0.771 38 S HN 0.426 nan 8.310 nan 0.000 0.522 39 L N 1.642 123.000 121.223 0.224 0.000 2.640 39 L HA 0.296 5.091 4.340 0.759 0.000 0.230 39 L C 2.078 178.972 176.870 0.041 0.000 1.123 39 L CA 0.123 55.039 54.840 0.127 0.000 0.900 39 L CB 0.592 42.702 42.059 0.085 0.000 1.146 39 L HN 0.381 nan 8.230 nan 0.000 0.484 40 V N -2.282 117.639 119.914 0.011 0.000 3.129 40 V HA 0.054 4.629 4.120 0.759 0.000 0.259 40 V C 0.651 176.605 176.094 -0.234 0.000 1.116 40 V CA 0.533 62.713 62.300 -0.201 0.000 1.127 40 V CB -0.391 31.116 31.823 -0.527 0.000 0.742 40 V HN 0.565 nan 8.190 nan 0.000 0.474 41 C N -1.978 117.274 119.300 -0.080 0.000 2.959 41 C HA 0.379 5.295 4.460 0.759 0.000 0.327 41 C C 1.190 176.248 174.990 0.112 0.000 1.315 41 C CA -0.250 58.747 59.018 -0.036 0.000 1.216 41 C CB 0.816 28.483 27.740 -0.122 0.000 1.343 41 C HN 0.370 nan 8.230 nan 0.000 0.454 42 R N 0.252 120.805 120.500 0.089 0.000 2.081 42 R HA -0.043 4.752 4.340 0.759 0.000 0.235 42 R C 2.512 178.962 176.300 0.251 0.000 1.131 42 R CA 1.843 58.021 56.100 0.130 0.000 0.960 42 R CB -0.253 30.084 30.300 0.062 0.000 0.856 42 R HN 0.698 nan 8.270 nan 0.000 0.436 43 R N -0.149 120.504 120.500 0.256 0.000 2.062 43 R HA -0.143 4.653 4.340 0.759 0.000 0.229 43 R C 1.818 178.327 176.300 0.348 0.000 1.128 43 R CA 1.392 57.659 56.100 0.279 0.000 0.960 43 R CB -0.144 30.316 30.300 0.266 0.000 0.855 43 R HN 0.226 nan 8.270 nan 0.000 0.432 44 W N 0.198 121.559 121.300 0.102 0.000 2.342 44 W HA -0.206 4.908 4.660 0.757 0.000 0.297 44 W C 2.024 178.614 176.519 0.119 0.000 1.213 44 W CA 0.917 58.320 57.345 0.096 0.000 1.251 44 W CB -0.973 28.541 29.460 0.091 0.000 1.136 44 W HN 0.109 nan 8.180 nan 0.000 0.526 45 F N 1.538 121.643 119.950 0.258 0.000 2.095 45 F HA -0.230 4.750 4.527 0.755 0.000 0.298 45 F C 2.404 178.264 175.800 0.099 0.000 1.104 45 F CA 2.454 60.543 58.000 0.148 0.000 1.232 45 F CB -0.605 38.452 39.000 0.094 0.000 0.987 45 F HN -0.214 nan 8.300 nan 0.000 0.475 46 K N 0.447 120.944 120.400 0.162 0.000 2.057 46 K HA -0.141 4.634 4.320 0.759 0.000 0.207 46 K C 2.065 178.630 176.600 -0.059 0.000 1.049 46 K CA 1.935 58.231 56.287 0.016 0.000 0.931 46 K CB -0.321 32.258 32.500 0.132 0.000 0.714 46 K HN 0.409 nan 8.250 nan 0.000 0.440 47 I N 0.784 121.346 120.570 -0.013 0.000 2.315 47 I HA -0.245 4.380 4.170 0.759 0.000 0.248 47 I C 2.043 178.123 176.117 -0.063 0.000 1.117 47 I CA 1.482 62.752 61.300 -0.051 0.000 1.404 47 I CB -0.283 37.659 38.000 -0.097 0.000 1.071 47 I HN 0.320 nan 8.210 nan 0.000 0.419 48 D N 0.160 120.523 120.400 -0.062 0.000 2.097 48 D HA -0.235 4.860 4.640 0.759 0.000 0.197 48 D C 2.288 178.586 176.300 -0.004 0.000 0.984 48 D CA 1.580 55.566 54.000 -0.024 0.000 0.826 48 D CB -0.015 40.794 40.800 0.016 0.000 0.973 48 D HN 0.149 nan 8.370 nan 0.000 0.460 49 S N -0.493 115.101 115.700 -0.177 0.000 2.374 49 S HA -0.262 4.663 4.470 0.759 0.000 0.227 49 S C 1.789 176.402 174.600 0.022 0.000 1.037 49 S CA 1.706 59.797 58.200 -0.182 0.000 1.024 49 S CB -0.482 62.439 63.200 -0.464 0.000 0.861 49 S HN 0.407 nan 8.310 nan 0.000 0.456 50 E N -0.414 119.777 120.200 -0.015 0.000 2.478 50 E HA 0.043 4.849 4.350 0.759 0.000 0.194 50 E C 1.675 178.286 176.600 0.018 0.000 1.045 50 E CA 0.980 57.386 56.400 0.011 0.000 0.868 50 E CB 0.263 29.960 29.700 -0.005 0.000 0.885 50 E HN 0.843 nan 8.360 nan 0.000 0.505 51 T N -2.430 112.133 114.554 0.015 0.000 2.975 51 T HA 0.177 4.982 4.350 0.759 0.000 0.257 51 T C 0.858 175.548 174.700 -0.017 0.000 1.003 51 T CA -0.537 61.559 62.100 -0.007 0.000 0.932 51 T CB 0.199 69.050 68.868 -0.028 0.000 1.087 51 T HN -0.184 nan 8.240 nan 0.000 0.512 52 R N 1.989 122.491 120.500 0.004 0.000 2.585 52 R HA 0.142 4.938 4.340 0.759 0.000 0.275 52 R C 0.969 177.191 176.300 -0.129 0.000 1.018 52 R CA 0.649 56.682 56.100 -0.111 0.000 1.072 52 R CB 0.194 30.302 30.300 -0.321 0.000 0.953 52 R HN 0.433 nan 8.270 nan 0.000 0.419 53 E N 1.104 121.229 120.200 -0.125 0.000 2.256 53 E HA 0.000 4.806 4.350 0.759 0.000 0.198 53 E C -0.171 176.380 176.600 -0.081 0.000 0.908 53 E CA 0.137 56.487 56.400 -0.082 0.000 0.915 53 E CB 0.197 29.868 29.700 -0.049 0.000 0.890 53 E HN 0.489 nan 8.360 nan 0.000 0.484 54 H N 0.623 119.576 119.070 -0.194 0.000 2.538 54 H HA 0.469 5.478 4.556 0.757 0.000 0.353 54 H C -1.426 173.754 175.328 -0.247 0.000 1.109 54 H CA -0.494 55.444 56.048 -0.183 0.000 1.192 54 H CB 1.265 30.948 29.762 -0.132 0.000 1.555 54 H HN -0.178 nan 8.280 nan 0.000 0.518 55 V N 4.067 123.740 119.914 -0.402 0.000 2.789 55 V HA 0.358 4.933 4.120 0.759 0.000 0.311 55 V C -0.275 175.686 176.094 -0.221 0.000 1.073 55 V CA -0.656 61.510 62.300 -0.224 0.000 0.921 55 V CB 2.300 33.961 31.823 -0.270 0.000 1.009 55 V HN 0.898 nan 8.190 nan 0.000 0.426 56 T N 5.195 119.730 114.554 -0.033 0.000 2.848 56 T HA 0.586 5.391 4.350 0.759 0.000 0.285 56 T C -0.522 174.144 174.700 -0.057 0.000 0.995 56 T CA -0.386 61.688 62.100 -0.043 0.000 0.970 56 T CB 1.224 70.116 68.868 0.040 0.000 0.976 56 T HN 0.482 nan 8.240 nan 0.000 0.441 57 M N 2.667 122.196 119.600 -0.118 0.000 2.101 57 M HA 0.423 5.359 4.480 0.759 0.000 0.340 57 M C 1.184 177.422 176.300 -0.104 0.000 1.057 57 M CA -0.835 54.410 55.300 -0.092 0.000 0.984 57 M CB 1.614 34.122 32.600 -0.154 0.000 1.560 57 M HN 0.802 nan 8.290 nan 0.000 0.435 58 A N 4.395 127.181 122.820 -0.056 0.000 2.015 58 A HA 0.138 4.914 4.320 0.759 0.000 0.219 58 A C 0.754 178.290 177.584 -0.080 0.000 1.163 58 A CA 1.009 52.992 52.037 -0.089 0.000 0.646 58 A CB 0.309 19.262 19.000 -0.078 0.000 0.806 58 A HN 0.728 nan 8.150 nan 0.000 0.448 59 L N -0.148 121.067 121.223 -0.013 0.000 2.470 59 L HA 0.203 4.999 4.340 0.759 0.000 0.268 59 L C 0.939 177.807 176.870 -0.003 0.000 0.964 59 L CA -0.692 54.161 54.840 0.022 0.000 0.839 59 L CB 1.895 44.027 42.059 0.120 0.000 1.276 59 L HN 0.468 nan 8.230 nan 0.000 0.403 60 C N 1.507 120.738 119.300 -0.114 0.000 2.448 60 C HA -0.048 4.868 4.460 0.759 0.000 0.280 60 C C 1.704 176.712 174.990 0.031 0.000 1.398 60 C CA 0.065 58.986 59.018 -0.163 0.000 1.774 60 C CB -1.317 26.204 27.740 -0.365 0.000 1.888 60 C HN 0.770 nan 8.230 nan 0.000 0.519 61 Y N 1.021 121.420 120.300 0.165 0.000 2.477 61 Y HA 0.070 5.051 4.550 0.720 0.000 0.303 61 Y C 2.694 178.750 175.900 0.260 0.000 1.202 61 Y CA 0.742 58.954 58.100 0.186 0.000 1.282 61 Y CB -0.310 38.187 38.460 0.062 0.000 1.071 61 Y HN 0.329 nan 8.280 nan 0.000 0.510 62 T N -0.339 114.424 114.554 0.348 0.000 3.043 62 T HA 0.374 5.180 4.350 0.759 0.000 0.263 62 T C 0.423 175.316 174.700 0.321 0.000 1.094 62 T CA 0.719 63.033 62.100 0.356 0.000 1.127 62 T CB -0.093 68.947 68.868 0.286 0.000 0.905 62 T HN 0.288 nan 8.240 nan 0.000 0.490 63 A N -0.097 122.919 122.820 0.327 0.000 2.608 63 A HA 0.579 5.354 4.320 0.759 0.000 0.292 63 A C -0.277 177.466 177.584 0.264 0.000 1.066 63 A CA -0.866 51.337 52.037 0.277 0.000 0.676 63 A CB 0.652 19.804 19.000 0.252 0.000 1.277 63 A HN 0.167 nan 8.150 nan 0.000 0.413 64 T N 2.239 116.875 114.554 0.136 0.000 2.940 64 T HA 0.313 5.118 4.350 0.759 0.000 0.309 64 T C -1.903 172.703 174.700 -0.157 0.000 1.056 64 T CA -0.250 61.837 62.100 -0.022 0.000 1.137 64 T CB 0.346 69.208 68.868 -0.011 0.000 0.976 64 T HN 0.395 nan 8.240 nan 0.000 0.547 65 P HA -0.025 nan 4.420 nan 0.000 0.226 65 P C 1.037 178.212 177.300 -0.209 0.000 1.153 65 P CA 0.558 63.190 63.100 -0.781 0.000 0.777 65 P CB 0.131 31.068 31.700 -1.271 0.000 0.794 66 D N -0.104 120.200 120.400 -0.159 0.000 2.117 66 D HA -0.177 4.918 4.640 0.759 0.000 0.198 66 D C 2.128 178.432 176.300 0.006 0.000 0.982 66 D CA 0.998 54.964 54.000 -0.056 0.000 0.828 66 D CB -0.293 40.476 40.800 -0.051 0.000 0.967 66 D HN -0.107 nan 8.370 nan 0.000 0.464 67 R N -0.468 120.048 120.500 0.026 0.000 2.091 67 R HA -0.144 4.652 4.340 0.759 0.000 0.238 67 R C 2.361 178.708 176.300 0.079 0.000 1.136 67 R CA 1.340 57.475 56.100 0.058 0.000 0.959 67 R CB -0.465 29.886 30.300 0.086 0.000 0.856 67 R HN 0.320 nan 8.270 nan 0.000 0.437 68 L N 0.623 121.935 121.223 0.150 0.000 2.017 68 L HA -0.152 4.644 4.340 0.759 0.000 0.208 68 L C 2.321 179.295 176.870 0.173 0.000 1.073 68 L CA 2.437 57.410 54.840 0.220 0.000 0.745 68 L CB -0.578 41.709 42.059 0.380 0.000 0.894 68 L HN 0.318 nan 8.230 nan 0.000 0.432 69 S N -0.527 115.255 115.700 0.137 0.000 2.419 69 S HA -0.256 4.669 4.470 0.759 0.000 0.233 69 S C 2.193 176.831 174.600 0.063 0.000 1.016 69 S CA 1.077 59.341 58.200 0.107 0.000 0.974 69 S CB -0.697 62.549 63.200 0.076 0.000 0.786 69 S HN 0.648 nan 8.310 nan 0.000 0.492 70 R N 1.261 121.782 120.500 0.035 0.000 2.062 70 R HA 0.076 4.871 4.340 0.759 0.000 0.229 70 R C 2.555 178.830 176.300 -0.042 0.000 1.128 70 R CA 1.268 57.373 56.100 0.009 0.000 0.960 70 R CB -0.296 30.013 30.300 0.015 0.000 0.855 70 R HN 0.412 nan 8.270 nan 0.000 0.432 71 R N -0.368 120.060 120.500 -0.121 0.000 2.115 71 R HA 0.001 4.796 4.340 0.759 0.000 0.226 71 R C -0.097 175.840 176.300 -0.606 0.000 1.100 71 R CA 1.403 57.264 56.100 -0.399 0.000 0.980 71 R CB 0.114 30.081 30.300 -0.555 0.000 0.875 71 R HN 0.295 nan 8.270 nan 0.000 0.445 72 F N -0.484 119.470 119.950 0.007 0.000 2.593 72 F HA 0.367 5.346 4.527 0.752 0.000 0.336 72 F C -1.835 173.963 175.800 -0.003 0.000 1.491 72 F CA -2.166 55.826 58.000 -0.014 0.000 1.114 72 F CB 1.935 40.931 39.000 -0.006 0.000 1.468 72 F HN -0.029 nan 8.300 nan 0.000 0.579 73 P HA -0.150 nan 4.420 nan 0.000 0.220 73 P C 0.011 177.356 177.300 0.076 0.000 1.144 73 P CA 1.600 64.751 63.100 0.084 0.000 0.800 73 P CB 0.092 31.820 31.700 0.048 0.000 0.772 74 N N -1.366 117.384 118.700 0.083 0.000 2.338 74 N HA 0.165 5.361 4.740 0.759 0.000 0.251 74 N C -0.240 175.283 175.510 0.022 0.000 1.199 74 N CA -0.357 52.719 53.050 0.043 0.000 0.879 74 N CB 0.045 38.550 38.487 0.029 0.000 1.159 74 N HN 0.047 nan 8.380 nan 0.000 0.514 75 L N 1.115 122.354 121.223 0.028 0.000 2.573 75 L HA -0.048 4.748 4.340 0.759 0.000 0.290 75 L C 1.405 178.252 176.870 -0.039 0.000 1.247 75 L CA 0.551 55.371 54.840 -0.032 0.000 0.876 75 L CB 0.525 42.565 42.059 -0.033 0.000 1.123 75 L HN 0.313 nan 8.230 nan 0.000 0.505 76 R N 0.908 121.372 120.500 -0.060 0.000 2.287 76 R HA 0.174 4.969 4.340 0.759 0.000 0.197 76 R C 0.296 176.554 176.300 -0.070 0.000 0.900 76 R CA 0.190 56.260 56.100 -0.050 0.000 1.052 76 R CB 0.645 30.924 30.300 -0.037 0.000 1.117 76 R HN 0.562 nan 8.270 nan 0.000 0.568 77 S N 0.606 116.239 115.700 -0.112 0.000 2.536 77 S HA 0.643 5.569 4.470 0.759 0.000 0.287 77 S C -1.687 172.674 174.600 -0.399 0.000 1.101 77 S CA -0.639 57.456 58.200 -0.175 0.000 0.950 77 S CB 1.143 64.331 63.200 -0.020 0.000 1.056 77 S HN 0.069 nan 8.310 nan 0.000 0.481 78 L N 3.568 124.566 121.223 -0.375 0.000 2.445 78 L HA 0.739 5.534 4.340 0.759 0.000 0.262 78 L C -1.336 175.327 176.870 -0.345 0.000 0.974 78 L CA -0.258 54.344 54.840 -0.397 0.000 0.822 78 L CB 1.960 43.892 42.059 -0.211 0.000 1.339 78 L HN 0.744 nan 8.230 nan 0.000 0.409 79 K N 5.185 125.386 120.400 -0.332 0.000 2.578 79 K HA 0.637 5.412 4.320 0.759 0.000 0.250 79 K C -2.140 174.312 176.600 -0.246 0.000 0.955 79 K CA -0.497 55.639 56.287 -0.252 0.000 0.825 79 K CB 1.145 33.518 32.500 -0.211 0.000 1.151 79 K HN 0.726 nan 8.250 nan 0.000 0.432 80 L N 4.241 125.348 121.223 -0.193 0.000 2.341 80 L HA 0.531 5.326 4.340 0.759 0.000 0.278 80 L C -0.502 176.266 176.870 -0.169 0.000 1.005 80 L CA -0.985 53.707 54.840 -0.247 0.000 0.818 80 L CB 1.968 43.810 42.059 -0.361 0.000 1.259 80 L HN 0.493 nan 8.230 nan 0.000 0.418 81 K N 1.248 121.535 120.400 -0.190 0.000 2.164 81 K HA 0.599 5.375 4.320 0.759 0.000 0.258 81 K C 0.281 176.814 176.600 -0.112 0.000 0.951 81 K CA -0.504 55.700 56.287 -0.139 0.000 0.844 81 K CB 2.563 34.971 32.500 -0.153 0.000 1.099 81 K HN 0.745 nan 8.250 nan 0.000 0.435 82 G N 2.104 110.872 108.800 -0.053 0.000 2.508 82 G HA2 0.079 4.495 3.960 0.759 0.000 0.217 82 G HA3 0.079 4.495 3.960 0.759 0.000 0.217 82 G C -0.461 174.524 174.900 0.143 0.000 2.004 82 G CA -0.306 44.824 45.100 0.051 0.000 0.750 82 G HN 0.394 nan 8.290 nan 0.000 0.730 83 K N 1.878 122.329 120.400 0.084 0.000 2.485 83 K HA 0.189 4.964 4.320 0.759 0.000 0.277 83 K C -2.287 174.140 176.600 -0.288 0.000 0.990 83 K CA -0.992 55.153 56.287 -0.236 0.000 0.994 83 K CB 0.683 33.074 32.500 -0.182 0.000 0.906 83 K HN 0.110 nan 8.250 nan 0.000 0.488 84 P HA 0.016 nan 4.420 nan 0.000 0.270 84 P C 0.260 177.380 177.300 -0.300 0.000 1.227 84 P CA -0.163 62.781 63.100 -0.260 0.000 0.788 84 P CB 0.514 32.015 31.700 -0.332 0.000 0.926 85 R N 1.050 121.401 120.500 -0.247 0.000 2.159 85 R HA -0.168 4.628 4.340 0.759 0.000 0.237 85 R C 2.034 178.243 176.300 -0.151 0.000 1.131 85 R CA 1.713 57.708 56.100 -0.176 0.000 0.982 85 R CB -0.872 29.369 30.300 -0.098 0.000 0.868 85 R HN 0.526 nan 8.270 nan 0.000 0.453 86 A N 0.926 123.497 122.820 -0.414 0.000 2.024 86 A HA -0.142 4.633 4.320 0.759 0.000 0.220 86 A C 2.292 179.768 177.584 -0.179 0.000 1.164 86 A CA 1.591 53.377 52.037 -0.418 0.000 0.643 86 A CB -0.506 17.748 19.000 -1.243 0.000 0.806 86 A HN 0.415 nan 8.150 nan 0.000 0.451 87 A N -0.583 122.084 122.820 -0.255 0.000 2.024 87 A HA -0.126 4.649 4.320 0.759 0.000 0.220 87 A C 2.050 179.548 177.584 -0.143 0.000 1.164 87 A CA 1.675 53.605 52.037 -0.179 0.000 0.643 87 A CB -0.556 18.324 19.000 -0.200 0.000 0.806 87 A HN 0.549 nan 8.150 nan 0.000 0.451 88 M N -1.682 117.800 119.600 -0.196 0.000 2.686 88 M HA 0.079 5.014 4.480 0.759 0.000 0.246 88 M C -0.182 175.727 176.300 -0.653 0.000 1.096 88 M CA 0.759 55.812 55.300 -0.413 0.000 1.076 88 M CB 0.008 32.285 32.600 -0.538 0.000 1.504 88 M HN 0.446 nan 8.290 nan 0.000 0.524 89 F N -0.233 119.672 119.950 -0.074 0.000 2.814 89 F HA 0.305 5.284 4.527 0.754 0.000 0.326 89 F C 0.267 176.060 175.800 -0.012 0.000 1.159 89 F CA -0.811 57.169 58.000 -0.033 0.000 1.234 89 F CB -0.090 38.897 39.000 -0.021 0.000 1.016 89 F HN 0.087 nan 8.300 nan 0.000 0.510 90 N N 1.712 120.447 118.700 0.058 0.000 2.705 90 N HA -0.207 4.988 4.740 0.759 0.000 0.255 90 N C 0.431 175.984 175.510 0.071 0.000 1.008 90 N CA 0.659 53.735 53.050 0.044 0.000 0.742 90 N CB -1.212 37.306 38.487 0.051 0.000 0.906 90 N HN 0.464 nan 8.380 nan 0.000 0.541 91 L N -1.081 120.185 121.223 0.072 0.000 2.781 91 L HA 0.297 5.092 4.340 0.759 0.000 0.245 91 L C 0.449 177.424 176.870 0.174 0.000 1.118 91 L CA 0.201 55.122 54.840 0.136 0.000 0.918 91 L CB 0.394 42.557 42.059 0.173 0.000 1.246 91 L HN 0.109 nan 8.230 nan 0.000 0.526 92 I N 1.113 121.701 120.570 0.031 0.000 2.404 92 I HA 0.367 4.993 4.170 0.759 0.000 0.293 92 I C -2.164 173.967 176.117 0.024 0.000 0.992 92 I CA -2.489 58.818 61.300 0.012 0.000 1.149 92 I CB 1.516 39.403 38.000 -0.188 0.000 1.315 92 I HN -0.297 nan 8.210 nan 0.000 0.446 93 P HA -0.037 nan 4.420 nan 0.000 0.266 93 P C 0.720 178.087 177.300 0.111 0.000 1.193 93 P CA 0.256 63.411 63.100 0.093 0.000 0.770 93 P CB 0.917 32.709 31.700 0.154 0.000 0.836 94 E N 3.312 123.558 120.200 0.077 0.000 2.072 94 E HA -0.215 4.590 4.350 0.759 0.000 0.191 94 E C 1.125 177.789 176.600 0.106 0.000 0.985 94 E CA 1.761 58.203 56.400 0.070 0.000 0.801 94 E CB -0.719 29.005 29.700 0.039 0.000 0.750 94 E HN 0.422 nan 8.360 nan 0.000 0.452 95 N N -0.280 118.493 118.700 0.122 0.000 2.515 95 N HA -0.096 5.100 4.740 0.759 0.000 0.191 95 N C 1.229 176.819 175.510 0.133 0.000 1.182 95 N CA 0.470 53.598 53.050 0.130 0.000 0.879 95 N CB -1.106 37.456 38.487 0.126 0.000 0.984 95 N HN 0.370 nan 8.380 nan 0.000 0.453 96 W N 1.452 122.745 121.300 -0.012 0.000 2.338 96 W HA 0.082 5.171 4.660 0.715 0.000 0.304 96 W C 0.713 177.221 176.519 -0.018 0.000 1.212 96 W CA 2.148 59.495 57.345 0.003 0.000 1.264 96 W CB -0.054 29.419 29.460 0.022 0.000 1.142 96 W HN 0.273 nan 8.180 nan 0.000 0.512 97 G N -3.037 105.683 108.800 -0.133 0.000 2.350 97 G HA2 0.382 4.797 3.960 0.759 0.000 0.282 97 G HA3 0.382 4.797 3.960 0.759 0.000 0.282 97 G C 0.255 175.047 174.900 -0.179 0.000 1.314 97 G CA -0.026 44.796 45.100 -0.463 0.000 0.915 97 G HN 1.023 nan 8.290 nan 0.000 0.499 98 G N -1.759 107.004 108.800 -0.061 0.000 2.134 98 G HA2 -0.066 4.349 3.960 0.759 0.000 0.209 98 G HA3 -0.066 4.349 3.960 0.759 0.000 0.209 98 G C 0.303 175.111 174.900 -0.154 0.000 0.993 98 G CA 0.457 45.511 45.100 -0.076 0.000 0.669 98 G HN 1.427 nan 8.290 nan 0.000 0.519 99 Y N -0.887 119.444 120.300 0.052 0.000 2.610 99 Y HA 0.300 5.306 4.550 0.760 0.000 0.332 99 Y C 1.553 177.455 175.900 0.003 0.000 1.201 99 Y CA 0.657 58.768 58.100 0.020 0.000 1.465 99 Y CB 1.403 39.887 38.460 0.040 0.000 1.283 99 Y HN 0.008 nan 8.280 nan 0.000 0.563 100 V N 2.450 122.409 119.914 0.075 0.000 3.644 100 V HA -0.135 4.441 4.120 0.759 0.000 0.267 100 V C 1.825 177.956 176.094 0.062 0.000 1.277 100 V CA 1.399 63.658 62.300 -0.069 0.000 1.096 100 V CB -0.426 31.039 31.823 -0.597 0.000 0.828 100 V HN 1.114 nan 8.190 nan 0.000 0.446 101 T N -0.528 114.065 114.554 0.065 0.000 2.665 101 T HA -0.138 4.667 4.350 0.759 0.000 0.268 101 T C -0.068 174.640 174.700 0.014 0.000 1.035 101 T CA 1.891 64.010 62.100 0.033 0.000 1.151 101 T CB -1.885 66.986 68.868 0.006 0.000 0.862 101 T HN 0.431 nan 8.240 nan 0.000 0.438 102 P HA -0.002 nan 4.420 nan 0.000 0.220 102 P C 0.719 177.858 177.300 -0.269 0.000 1.148 102 P CA 0.959 63.941 63.100 -0.198 0.000 0.803 102 P CB -0.321 31.180 31.700 -0.331 0.000 0.782 103 W N -0.530 120.760 121.300 -0.017 0.000 2.494 103 W HA -0.027 5.079 4.660 0.742 0.000 0.286 103 W C 2.293 178.835 176.519 0.038 0.000 1.218 103 W CA 0.621 57.972 57.345 0.010 0.000 1.313 103 W CB -1.095 28.367 29.460 0.004 0.000 1.105 103 W HN -0.204 nan 8.180 nan 0.000 0.561 104 V N -0.490 119.557 119.914 0.223 0.000 2.548 104 V HA -0.173 4.403 4.120 0.759 0.000 0.249 104 V C 1.994 178.139 176.094 0.085 0.000 1.055 104 V CA 2.349 64.747 62.300 0.164 0.000 1.065 104 V CB -1.323 30.577 31.823 0.129 0.000 0.681 104 V HN 0.231 nan 8.190 nan 0.000 0.462 105 T N -2.369 112.207 114.554 0.038 0.000 3.072 105 T HA -0.058 4.747 4.350 0.759 0.000 0.266 105 T C 1.633 176.333 174.700 0.000 0.000 1.127 105 T CA 1.430 63.532 62.100 0.004 0.000 1.107 105 T CB -0.175 68.679 68.868 -0.023 0.000 0.910 105 T HN 0.598 nan 8.240 nan 0.000 0.513 106 E N 1.240 121.447 120.200 0.011 0.000 2.102 106 E HA 0.175 4.981 4.350 0.759 0.000 0.190 106 E C 1.914 178.551 176.600 0.062 0.000 0.971 106 E CA 0.518 56.925 56.400 0.013 0.000 0.821 106 E CB -0.486 29.201 29.700 -0.021 0.000 0.777 106 E HN 0.595 nan 8.360 nan 0.000 0.460 107 I N 0.237 120.870 120.570 0.106 0.000 2.226 107 I HA -0.268 4.357 4.170 0.759 0.000 0.245 107 I C 2.436 178.587 176.117 0.055 0.000 1.100 107 I CA 1.272 62.630 61.300 0.096 0.000 1.374 107 I CB -0.371 37.703 38.000 0.122 0.000 1.057 107 I HN 0.138 nan 8.210 nan 0.000 0.413 108 S N 0.655 116.382 115.700 0.045 0.000 2.383 108 S HA -0.207 4.718 4.470 0.759 0.000 0.229 108 S C 1.643 176.251 174.600 0.014 0.000 1.030 108 S CA 2.093 60.306 58.200 0.022 0.000 1.002 108 S CB -0.383 62.825 63.200 0.013 0.000 0.829 108 S HN 0.535 nan 8.310 nan 0.000 0.467 109 N N -0.621 118.089 118.700 0.016 0.000 2.414 109 N HA 0.185 5.380 4.740 0.759 0.000 0.177 109 N C 0.557 176.077 175.510 0.015 0.000 1.062 109 N CA 0.346 53.402 53.050 0.010 0.000 0.890 109 N CB 0.245 38.733 38.487 0.001 0.000 1.070 109 N HN 0.297 nan 8.380 nan 0.000 0.454 110 N N 0.009 118.724 118.700 0.026 0.000 2.113 110 N HA 0.190 5.385 4.740 0.759 0.000 0.223 110 N C -0.409 175.127 175.510 0.043 0.000 1.310 110 N CA 0.154 53.222 53.050 0.031 0.000 0.896 110 N CB 1.376 39.881 38.487 0.030 0.000 1.097 110 N HN 0.056 nan 8.380 nan 0.000 0.507 111 L N 1.231 122.482 121.223 0.048 0.000 3.047 111 L HA 0.372 5.167 4.340 0.759 0.000 0.242 111 L C 0.902 177.790 176.870 0.031 0.000 1.315 111 L CA -0.205 54.665 54.840 0.049 0.000 1.042 111 L CB 0.482 42.581 42.059 0.067 0.000 1.420 111 L HN -0.306 nan 8.230 nan 0.000 0.517 112 R N 0.129 120.643 120.500 0.024 0.000 2.395 112 R HA -0.128 4.668 4.340 0.759 0.000 0.202 112 R C 1.511 177.816 176.300 0.008 0.000 1.088 112 R CA 0.623 56.732 56.100 0.014 0.000 1.090 112 R CB -0.270 30.038 30.300 0.012 0.000 0.876 112 R HN 0.386 nan 8.270 nan 0.000 0.477 113 Q N -1.081 118.723 119.800 0.008 0.000 2.164 113 Q HA 0.202 4.998 4.340 0.759 0.000 0.226 113 Q C -0.745 175.249 176.000 -0.010 0.000 0.813 113 Q CA -0.209 55.594 55.803 -0.001 0.000 0.978 113 Q CB 0.576 29.315 28.738 0.001 0.000 1.149 113 Q HN 0.110 nan 8.270 nan 0.000 0.489 114 L N 2.047 123.264 121.223 -0.010 0.000 2.462 114 L HA 0.084 4.879 4.340 0.759 0.000 0.272 114 L C 0.733 177.584 176.870 -0.032 0.000 1.166 114 L CA 1.011 55.835 54.840 -0.025 0.000 0.880 114 L CB 0.684 42.731 42.059 -0.020 0.000 1.142 114 L HN 0.222 nan 8.230 nan 0.000 0.473 115 K N 1.243 121.617 120.400 -0.042 0.000 2.412 115 K HA 0.252 5.028 4.320 0.759 0.000 0.202 115 K C 0.167 176.732 176.600 -0.057 0.000 1.102 115 K CA -0.126 56.137 56.287 -0.041 0.000 1.027 115 K CB 0.578 33.059 32.500 -0.031 0.000 0.931 115 K HN 0.419 nan 8.250 nan 0.000 0.557 116 S N 0.731 116.385 115.700 -0.076 0.000 2.575 116 S HA 0.523 5.448 4.470 0.759 0.000 0.278 116 S C -1.445 173.063 174.600 -0.153 0.000 1.139 116 S CA -0.532 57.609 58.200 -0.098 0.000 0.954 116 S CB 1.913 65.076 63.200 -0.062 0.000 1.054 116 S HN 0.041 nan 8.310 nan 0.000 0.483 117 V N 5.006 124.789 119.914 -0.219 0.000 2.638 117 V HA 0.514 5.089 4.120 0.759 0.000 0.306 117 V C -0.803 175.032 176.094 -0.433 0.000 1.052 117 V CA -0.674 61.400 62.300 -0.377 0.000 0.885 117 V CB 1.736 33.254 31.823 -0.508 0.000 0.999 117 V HN 1.013 nan 8.190 nan 0.000 0.424 118 H N 4.589 123.333 119.070 -0.543 0.000 2.906 118 H HA 0.612 5.627 4.556 0.765 0.000 0.324 118 H C -1.713 173.410 175.328 -0.342 0.000 0.973 118 H CA -0.689 55.126 56.048 -0.387 0.000 1.321 118 H CB 0.894 30.544 29.762 -0.187 0.000 1.535 118 H HN 0.487 nan 8.280 nan 0.000 0.518 119 F N 3.578 123.647 119.950 0.199 0.000 2.436 119 F HA 0.424 5.404 4.527 0.756 0.000 0.340 119 F C 0.245 176.125 175.800 0.132 0.000 1.113 119 F CA -0.841 57.195 58.000 0.060 0.000 1.022 119 F CB 1.544 40.537 39.000 -0.013 0.000 1.128 119 F HN 0.455 nan 8.300 nan 0.000 0.466 120 R N 2.831 123.449 120.500 0.197 0.000 2.451 120 R HA 0.494 5.289 4.340 0.759 0.000 0.307 120 R C -0.352 175.967 176.300 0.031 0.000 0.965 120 R CA -0.649 55.510 56.100 0.098 0.000 0.865 120 R CB 0.674 30.949 30.300 -0.041 0.000 1.174 120 R HN 0.736 nan 8.270 nan 0.000 0.455 121 R N 3.449 123.971 120.500 0.037 0.000 3.205 121 R HA -0.208 4.587 4.340 0.759 0.000 0.249 121 R C -0.555 175.753 176.300 0.014 0.000 0.937 121 R CA 0.975 57.078 56.100 0.005 0.000 0.641 121 R CB -1.296 28.975 30.300 -0.048 0.000 1.114 121 R HN 0.585 nan 8.270 nan 0.000 0.451 122 M N 0.465 120.082 119.600 0.028 0.000 2.775 122 M HA 0.541 5.476 4.480 0.759 0.000 0.296 122 M C 0.142 176.437 176.300 -0.009 0.000 1.248 122 M CA -1.147 54.141 55.300 -0.021 0.000 0.800 122 M CB 1.702 34.239 32.600 -0.105 0.000 1.765 122 M HN -0.023 nan 8.290 nan 0.000 0.472 123 I N 2.486 123.023 120.570 -0.055 0.000 2.330 123 I HA 0.336 4.961 4.170 0.759 0.000 0.286 123 I C -0.763 175.389 176.117 0.059 0.000 1.025 123 I CA -0.556 60.755 61.300 0.019 0.000 1.197 123 I CB 0.623 38.603 38.000 -0.032 0.000 1.358 123 I HN 0.237 nan 8.210 nan 0.000 0.467 124 V N 5.761 125.747 119.914 0.120 0.000 2.357 124 V HA 0.306 4.881 4.120 0.759 0.000 0.284 124 V C 0.624 176.837 176.094 0.198 0.000 1.018 124 V CA -0.415 61.931 62.300 0.075 0.000 0.841 124 V CB 1.677 33.497 31.823 -0.006 0.000 0.991 124 V HN 0.901 nan 8.190 nan 0.000 0.437 125 S N 2.265 118.044 115.700 0.133 0.000 2.672 125 S HA 0.312 5.237 4.470 0.759 0.000 0.276 125 S C 0.708 175.383 174.600 0.124 0.000 1.207 125 S CA -0.517 57.770 58.200 0.145 0.000 1.002 125 S CB 1.509 64.769 63.200 0.099 0.000 0.998 125 S HN 0.612 nan 8.310 nan 0.000 0.542 126 D N 0.212 120.688 120.400 0.127 0.000 2.123 126 D HA -0.088 5.007 4.640 0.759 0.000 0.196 126 D C 1.748 178.081 176.300 0.055 0.000 0.992 126 D CA 1.110 55.169 54.000 0.099 0.000 0.833 126 D CB -0.419 40.435 40.800 0.091 0.000 0.954 126 D HN 0.491 nan 8.370 nan 0.000 0.455 127 L N 1.309 122.559 121.223 0.045 0.000 1.989 127 L HA -0.211 4.585 4.340 0.759 0.000 0.211 127 L C 1.446 178.326 176.870 0.016 0.000 1.071 127 L CA 2.189 57.044 54.840 0.025 0.000 0.749 127 L CB -0.720 41.348 42.059 0.016 0.000 0.890 127 L HN 0.009 nan 8.230 nan 0.000 0.431 128 D N -0.656 119.756 120.400 0.020 0.000 2.269 128 D HA -0.205 4.890 4.640 0.759 0.000 0.208 128 D C 2.018 178.329 176.300 0.018 0.000 0.963 128 D CA 1.523 55.532 54.000 0.016 0.000 0.864 128 D CB -0.684 40.124 40.800 0.014 0.000 0.936 128 D HN 0.590 nan 8.370 nan 0.000 0.505 129 L N -1.836 119.393 121.223 0.009 0.000 2.477 129 L HA 0.279 5.074 4.340 0.759 0.000 0.220 129 L C 1.542 178.405 176.870 -0.011 0.000 1.106 129 L CA 0.928 55.766 54.840 -0.003 0.000 0.851 129 L CB -0.294 41.733 42.059 -0.054 0.000 0.994 129 L HN -0.191 nan 8.230 nan 0.000 0.462 130 D N 0.790 121.186 120.400 -0.006 0.000 2.117 130 D HA -0.182 4.914 4.640 0.759 0.000 0.198 130 D C 2.322 178.584 176.300 -0.063 0.000 0.982 130 D CA 1.226 55.212 54.000 -0.023 0.000 0.828 130 D CB 0.138 40.937 40.800 -0.001 0.000 0.967 130 D HN 0.196 nan 8.370 nan 0.000 0.464 131 R N 0.049 120.528 120.500 -0.034 0.000 2.083 131 R HA -0.122 4.674 4.340 0.759 0.000 0.237 131 R C 2.481 178.761 176.300 -0.033 0.000 1.137 131 R CA 0.860 56.938 56.100 -0.035 0.000 0.951 131 R CB -0.717 29.577 30.300 -0.010 0.000 0.851 131 R HN 0.345 nan 8.270 nan 0.000 0.434 132 L N 0.369 121.589 121.223 -0.005 0.000 1.955 132 L HA -0.236 4.559 4.340 0.759 0.000 0.213 132 L C 2.534 179.387 176.870 -0.029 0.000 1.072 132 L CA 1.693 56.539 54.840 0.010 0.000 0.755 132 L CB -0.673 41.415 42.059 0.047 0.000 0.888 132 L HN 0.237 nan 8.230 nan 0.000 0.432 133 A N 0.135 122.928 122.820 -0.045 0.000 1.881 133 A HA -0.339 4.436 4.320 0.759 0.000 0.219 133 A C 2.223 179.721 177.584 -0.144 0.000 1.215 133 A CA 2.621 54.621 52.037 -0.061 0.000 0.648 133 A CB -0.712 18.270 19.000 -0.029 0.000 0.832 133 A HN 0.486 nan 8.150 nan 0.000 0.455 134 K N -0.786 119.450 120.400 -0.274 0.000 2.097 134 K HA -0.032 4.744 4.320 0.759 0.000 0.206 134 K C 2.235 178.757 176.600 -0.130 0.000 1.049 134 K CA 1.135 57.235 56.287 -0.312 0.000 0.933 134 K CB -0.304 32.006 32.500 -0.316 0.000 0.717 134 K HN 0.487 nan 8.250 nan 0.000 0.442 135 A N 0.714 123.485 122.820 -0.082 0.000 2.014 135 A HA -0.061 4.715 4.320 0.759 0.000 0.218 135 A C 2.007 179.578 177.584 -0.022 0.000 1.163 135 A CA 1.260 53.274 52.037 -0.039 0.000 0.652 135 A CB -0.040 18.949 19.000 -0.019 0.000 0.808 135 A HN 0.074 nan 8.150 nan 0.000 0.449 136 R N -2.457 118.029 120.500 -0.022 0.000 2.276 136 R HA 0.486 5.282 4.340 0.759 0.000 0.195 136 R C 1.176 177.473 176.300 -0.004 0.000 0.908 136 R CA 1.059 57.153 56.100 -0.010 0.000 1.083 136 R CB -0.254 30.040 30.300 -0.010 0.000 1.182 136 R HN 0.627 nan 8.270 nan 0.000 0.608 137 A N 0.813 123.633 122.820 -0.001 0.000 5.578 137 A HA -0.379 4.396 4.320 0.759 0.000 0.312 137 A C 1.037 178.635 177.584 0.024 0.000 1.861 137 A CA 1.698 53.752 52.037 0.028 0.000 0.719 137 A CB -1.728 17.293 19.000 0.034 0.000 1.323 137 A HN 0.397 nan 8.150 nan 0.000 0.387 138 D N -0.261 120.154 120.400 0.025 0.000 2.271 138 D HA -0.057 5.038 4.640 0.759 0.000 0.207 138 D C 1.237 177.540 176.300 0.006 0.000 0.983 138 D CA 1.566 55.576 54.000 0.016 0.000 0.878 138 D CB -0.409 40.399 40.800 0.014 0.000 0.920 138 D HN 0.498 nan 8.370 nan 0.000 0.479 139 D N -0.407 119.995 120.400 0.002 0.000 2.312 139 D HA -0.055 5.040 4.640 0.759 0.000 0.211 139 D C 0.535 176.827 176.300 -0.013 0.000 0.964 139 D CA 0.076 54.072 54.000 -0.006 0.000 0.877 139 D CB -0.044 40.752 40.800 -0.006 0.000 0.924 139 D HN 0.154 nan 8.370 nan 0.000 0.515 140 L N 1.509 122.724 121.223 -0.014 0.000 2.454 140 L HA 0.075 4.870 4.340 0.759 0.000 0.284 140 L C 1.110 177.965 176.870 -0.026 0.000 1.139 140 L CA 0.289 55.113 54.840 -0.027 0.000 0.911 140 L CB 0.282 42.324 42.059 -0.028 0.000 1.262 140 L HN -0.126 nan 8.230 nan 0.000 0.453 141 E N 1.212 121.393 120.200 -0.031 0.000 2.122 141 E HA -0.012 4.793 4.350 0.759 0.000 0.190 141 E C 0.252 176.829 176.600 -0.037 0.000 0.977 141 E CA 0.819 57.203 56.400 -0.027 0.000 0.820 141 E CB 0.330 30.015 29.700 -0.025 0.000 0.770 141 E HN 0.617 nan 8.360 nan 0.000 0.462 142 T N 0.022 114.542 114.554 -0.056 0.000 2.921 142 T HA 0.475 5.280 4.350 0.759 0.000 0.297 142 T C -1.710 172.920 174.700 -0.118 0.000 1.013 142 T CA -0.890 61.164 62.100 -0.077 0.000 0.990 142 T CB 1.326 70.151 68.868 -0.072 0.000 1.023 142 T HN -0.035 nan 8.240 nan 0.000 0.447 143 L N 4.069 125.213 121.223 -0.132 0.000 2.376 143 L HA 0.682 5.477 4.340 0.759 0.000 0.275 143 L C -1.025 175.718 176.870 -0.211 0.000 0.987 143 L CA -0.328 54.400 54.840 -0.188 0.000 0.828 143 L CB 1.512 43.478 42.059 -0.156 0.000 1.249 143 L HN 0.715 nan 8.230 nan 0.000 0.409 144 K N 6.695 126.919 120.400 -0.294 0.000 2.507 144 K HA 0.485 5.260 4.320 0.759 0.000 0.253 144 K C -1.150 175.304 176.600 -0.243 0.000 0.969 144 K CA -0.446 55.636 56.287 -0.341 0.000 0.908 144 K CB 1.457 33.546 32.500 -0.686 0.000 1.127 144 K HN 0.579 nan 8.250 nan 0.000 0.437 145 L N 3.232 124.378 121.223 -0.128 0.000 2.352 145 L HA 0.177 4.972 4.340 0.759 0.000 0.272 145 L C -0.212 176.696 176.870 0.065 0.000 1.109 145 L CA -0.554 54.285 54.840 -0.000 0.000 0.952 145 L CB 0.172 42.180 42.059 -0.086 0.000 1.314 145 L HN 0.494 nan 8.230 nan 0.000 0.427 146 D N 4.451 124.906 120.400 0.091 0.000 2.347 146 D HA 0.131 5.226 4.640 0.759 0.000 0.235 146 D C 0.352 176.723 176.300 0.118 0.000 1.149 146 D CA -0.248 53.813 54.000 0.102 0.000 0.850 146 D CB 0.588 41.508 40.800 0.199 0.000 1.061 146 D HN 0.308 nan 8.370 nan 0.000 0.487 147 K N 1.474 121.934 120.400 0.099 0.000 3.035 147 K HA -0.180 4.595 4.320 0.759 0.000 0.262 147 K C -0.218 176.437 176.600 0.091 0.000 1.024 147 K CA 0.364 56.692 56.287 0.068 0.000 0.748 147 K CB -2.270 30.238 32.500 0.013 0.000 1.247 147 K HN 0.398 nan 8.250 nan 0.000 0.482 148 C N 0.192 119.595 119.300 0.171 0.000 2.328 148 C HA 0.706 5.622 4.460 0.759 0.000 0.378 148 C C 1.146 176.273 174.990 0.229 0.000 1.249 148 C CA -0.096 59.045 59.018 0.205 0.000 2.204 148 C CB 1.470 29.370 27.740 0.266 0.000 2.218 148 C HN 0.638 nan 8.230 nan 0.000 0.564 149 S N -1.191 114.629 115.700 0.200 0.000 2.685 149 S HA 0.770 5.696 4.470 0.759 0.000 0.282 149 S C 0.082 174.776 174.600 0.157 0.000 1.159 149 S CA 0.320 58.575 58.200 0.092 0.000 0.833 149 S CB 1.185 64.397 63.200 0.020 0.000 1.151 149 S HN 2.410 nan 8.310 nan 0.000 0.485 150 G N -0.082 108.738 108.800 0.034 0.000 2.157 150 G HA2 -0.133 4.283 3.960 0.759 0.000 0.239 150 G HA3 -0.133 4.283 3.960 0.759 0.000 0.239 150 G C -0.202 174.796 174.900 0.163 0.000 0.982 150 G CA 0.356 45.516 45.100 0.099 0.000 0.650 150 G HN 1.574 nan 8.290 nan 0.000 0.527 151 F N 0.081 120.074 119.950 0.071 0.000 2.697 151 F HA 0.951 5.932 4.527 0.757 0.000 0.386 151 F C 0.322 176.170 175.800 0.079 0.000 1.154 151 F CA -0.369 57.661 58.000 0.050 0.000 1.108 151 F CB 1.202 40.206 39.000 0.007 0.000 1.429 151 F HN 0.582 nan 8.300 nan 0.000 0.509 152 T N -4.087 110.611 114.554 0.240 0.000 2.762 152 T HA 0.270 5.075 4.350 0.759 0.000 0.301 152 T C 0.597 175.375 174.700 0.130 0.000 1.299 152 T CA -0.072 62.104 62.100 0.127 0.000 1.005 152 T CB 0.774 69.700 68.868 0.097 0.000 1.377 152 T HN 1.077 nan 8.240 nan 0.000 0.504 153 T N -1.239 113.368 114.554 0.087 0.000 2.869 153 T HA -0.123 4.683 4.350 0.759 0.000 0.270 153 T C 1.121 175.871 174.700 0.083 0.000 1.082 153 T CA 1.785 63.912 62.100 0.045 0.000 1.123 153 T CB -0.796 68.206 68.868 0.223 0.000 0.856 153 T HN 0.616 nan 8.240 nan 0.000 0.499 154 D N 1.813 122.272 120.400 0.098 0.000 2.097 154 D HA 0.021 5.116 4.640 0.759 0.000 0.195 154 D C 2.493 178.837 176.300 0.075 0.000 0.989 154 D CA 1.483 55.539 54.000 0.092 0.000 0.827 154 D CB -1.082 39.768 40.800 0.084 0.000 0.966 154 D HN 0.552 nan 8.370 nan 0.000 0.456 155 G N 1.178 110.021 108.800 0.072 0.000 2.491 155 G HA2 -0.244 4.171 3.960 0.759 0.000 0.218 155 G HA3 -0.244 4.171 3.960 0.759 0.000 0.218 155 G C 1.812 176.695 174.900 -0.028 0.000 1.180 155 G CA 0.698 45.818 45.100 0.034 0.000 0.774 155 G HN 0.254 nan 8.290 nan 0.000 0.562 156 L N -0.296 120.873 121.223 -0.090 0.000 1.990 156 L HA -0.111 4.684 4.340 0.759 0.000 0.213 156 L C 2.732 179.611 176.870 0.014 0.000 1.072 156 L CA 0.894 55.626 54.840 -0.181 0.000 0.755 156 L CB -0.654 41.079 42.059 -0.544 0.000 0.889 156 L HN 0.238 nan 8.230 nan 0.000 0.432 157 L N -0.538 120.747 121.223 0.103 0.000 2.127 157 L HA -0.216 4.580 4.340 0.759 0.000 0.211 157 L C 2.671 179.607 176.870 0.111 0.000 1.089 157 L CA 1.956 56.895 54.840 0.165 0.000 0.757 157 L CB -0.708 41.446 42.059 0.159 0.000 0.899 157 L HN 0.179 nan 8.230 nan 0.000 0.434 158 S N -0.719 115.042 115.700 0.102 0.000 2.387 158 S HA -0.124 4.801 4.470 0.759 0.000 0.226 158 S C 2.029 176.742 174.600 0.190 0.000 1.026 158 S CA 1.249 59.546 58.200 0.161 0.000 0.972 158 S CB -0.474 62.809 63.200 0.139 0.000 0.814 158 S HN 0.625 nan 8.310 nan 0.000 0.477 159 I N 0.671 121.295 120.570 0.090 0.000 2.876 159 I HA 0.077 4.702 4.170 0.759 0.000 0.264 159 I C 1.818 177.979 176.117 0.074 0.000 1.204 159 I CA 0.950 62.293 61.300 0.072 0.000 1.485 159 I CB -0.221 37.776 38.000 -0.004 0.000 1.103 159 I HN 0.207 nan 8.210 nan 0.000 0.446 160 V N -0.757 119.206 119.914 0.081 0.000 3.306 160 V HA -0.017 4.558 4.120 0.759 0.000 0.264 160 V C 2.280 178.397 176.094 0.039 0.000 1.149 160 V CA 1.498 63.849 62.300 0.084 0.000 1.143 160 V CB -1.811 30.101 31.823 0.148 0.000 0.767 160 V HN 0.669 nan 8.190 nan 0.000 0.476 161 T N -2.961 111.591 114.554 -0.004 0.000 3.040 161 T HA 0.070 4.876 4.350 0.759 0.000 0.252 161 T C 1.616 176.196 174.700 -0.201 0.000 1.064 161 T CA 1.169 63.188 62.100 -0.135 0.000 1.110 161 T CB -0.458 68.281 68.868 -0.215 0.000 0.921 161 T HN 0.578 nan 8.240 nan 0.000 0.480 162 H N -0.260 118.801 119.070 -0.014 0.000 2.553 162 H HA 0.382 5.394 4.556 0.759 0.000 0.276 162 H C 0.383 175.702 175.328 -0.014 0.000 0.979 162 H CA 0.221 56.259 56.048 -0.016 0.000 1.268 162 H CB 0.334 30.090 29.762 -0.010 0.000 1.450 162 H HN 0.363 nan 8.280 nan 0.000 0.527 163 C N 2.381 121.743 119.300 0.103 0.000 2.185 163 C HA 0.283 5.198 4.460 0.759 0.000 0.357 163 C C 1.248 176.258 174.990 0.033 0.000 1.053 163 C CA -0.699 58.351 59.018 0.053 0.000 1.552 163 C CB -0.572 27.190 27.740 0.037 0.000 1.679 163 C HN 0.562 nan 8.230 nan 0.000 0.453 164 R N 0.811 121.325 120.500 0.023 0.000 2.275 164 R HA 0.017 4.812 4.340 0.759 0.000 0.199 164 R C 1.031 177.346 176.300 0.024 0.000 0.989 164 R CA 0.622 56.733 56.100 0.018 0.000 1.016 164 R CB 0.167 30.469 30.300 0.003 0.000 0.918 164 R HN 0.600 nan 8.270 nan 0.000 0.473 165 K N 0.811 121.222 120.400 0.019 0.000 2.455 165 K HA 0.278 5.054 4.320 0.759 0.000 0.206 165 K C 0.044 176.650 176.600 0.010 0.000 1.027 165 K CA -0.234 56.061 56.287 0.014 0.000 1.113 165 K CB 0.651 33.156 32.500 0.009 0.000 0.850 165 K HN 0.038 nan 8.250 nan 0.000 0.503 166 I N 2.219 122.797 120.570 0.013 0.000 2.906 166 I HA -0.205 4.420 4.170 0.759 0.000 0.301 166 I C 1.192 177.313 176.117 0.007 0.000 1.221 166 I CA 0.980 62.284 61.300 0.007 0.000 1.435 166 I CB 0.535 38.545 38.000 0.016 0.000 1.345 166 I HN 0.232 nan 8.210 nan 0.000 0.558 167 K N 3.100 123.498 120.400 -0.004 0.000 2.168 167 K HA 0.022 4.798 4.320 0.759 0.000 0.201 167 K C 0.706 177.302 176.600 -0.006 0.000 1.049 167 K CA 0.692 56.976 56.287 -0.004 0.000 0.974 167 K CB 0.268 32.761 32.500 -0.011 0.000 0.792 167 K HN 0.699 nan 8.250 nan 0.000 0.463 168 T N 0.362 114.905 114.554 -0.018 0.000 2.848 168 T HA 0.522 5.328 4.350 0.759 0.000 0.285 168 T C -1.604 173.076 174.700 -0.032 0.000 0.995 168 T CA -0.849 61.236 62.100 -0.025 0.000 0.970 168 T CB 1.204 70.048 68.868 -0.041 0.000 0.976 168 T HN -0.039 nan 8.240 nan 0.000 0.441 169 L N 5.081 126.297 121.223 -0.011 0.000 2.409 169 L HA 0.867 5.663 4.340 0.759 0.000 0.272 169 L C -1.891 174.982 176.870 0.006 0.000 0.980 169 L CA -0.759 54.076 54.840 -0.009 0.000 0.826 169 L CB 1.769 43.853 42.059 0.043 0.000 1.268 169 L HN 0.866 nan 8.230 nan 0.000 0.407 170 L N 5.446 126.647 121.223 -0.037 0.000 2.464 170 L HA 0.562 5.357 4.340 0.759 0.000 0.266 170 L C -0.731 176.141 176.870 0.004 0.000 0.965 170 L CA -0.216 54.615 54.840 -0.015 0.000 0.833 170 L CB 2.032 44.037 42.059 -0.091 0.000 1.296 170 L HN 0.867 nan 8.230 nan 0.000 0.405 171 M N 3.060 122.725 119.600 0.109 0.000 2.511 171 M HA 0.231 5.166 4.480 0.759 0.000 0.387 171 M C -0.024 176.410 176.300 0.223 0.000 1.112 171 M CA -0.197 55.200 55.300 0.162 0.000 0.921 171 M CB 0.844 33.561 32.600 0.195 0.000 1.501 171 M HN 0.535 nan 8.290 nan 0.000 0.538 172 E N 2.702 123.004 120.200 0.170 0.000 2.694 172 E HA -0.174 4.632 4.350 0.759 0.000 0.250 172 E C 0.348 177.024 176.600 0.127 0.000 0.963 172 E CA 0.880 57.380 56.400 0.167 0.000 0.949 172 E CB 0.281 30.062 29.700 0.135 0.000 0.911 172 E HN 0.430 nan 8.360 nan 0.000 0.500 173 E N 1.811 122.071 120.200 0.101 0.000 3.801 173 E HA -0.215 4.590 4.350 0.759 0.000 0.319 173 E C -0.907 175.726 176.600 0.055 0.000 0.784 173 E CA 0.653 57.069 56.400 0.027 0.000 1.183 173 E CB -0.949 28.744 29.700 -0.012 0.000 1.601 173 E HN 0.490 nan 8.360 nan 0.000 0.441 174 S N 0.211 116.007 115.700 0.160 0.000 2.580 174 S HA 0.328 5.254 4.470 0.759 0.000 0.274 174 S C -0.170 174.499 174.600 0.115 0.000 1.329 174 S CA 0.063 58.396 58.200 0.221 0.000 1.036 174 S CB 1.441 64.907 63.200 0.444 0.000 0.919 174 S HN 0.392 nan 8.310 nan 0.000 0.515 175 S N 2.749 118.429 115.700 -0.035 0.000 2.498 175 S HA 0.818 5.743 4.470 0.759 0.000 0.317 175 S C -0.626 173.716 174.600 -0.429 0.000 1.090 175 S CA -0.820 57.183 58.200 -0.329 0.000 1.089 175 S CB 0.189 63.233 63.200 -0.259 0.000 0.997 175 S HN 0.595 nan 8.310 nan 0.000 0.470 176 F N -0.648 118.963 119.950 -0.565 0.000 2.869 176 F HA 0.834 5.815 4.527 0.757 0.000 0.325 176 F C -0.502 175.042 175.800 -0.427 0.000 1.184 176 F CA -1.317 56.258 58.000 -0.708 0.000 0.951 176 F CB 0.878 39.186 39.000 -1.154 0.000 1.421 176 F HN 0.388 nan 8.300 nan 0.000 0.501 177 S N 0.253 115.905 115.700 -0.079 0.000 2.433 177 S HA 0.272 5.198 4.470 0.759 0.000 0.310 177 S C -0.886 173.763 174.600 0.083 0.000 1.097 177 S CA -0.583 57.575 58.200 -0.070 0.000 1.103 177 S CB 0.823 63.999 63.200 -0.041 0.000 0.992 177 S HN 0.583 nan 8.310 nan 0.000 0.469 178 E N 2.796 123.013 120.200 0.027 0.000 2.081 178 E HA 0.222 5.028 4.350 0.759 0.000 0.281 178 E C 0.064 176.733 176.600 0.115 0.000 0.986 178 E CA -0.180 56.308 56.400 0.146 0.000 0.796 178 E CB 0.486 30.262 29.700 0.127 0.000 1.085 178 E HN 0.518 nan 8.360 nan 0.000 0.398 179 K N 2.648 123.136 120.400 0.146 0.000 2.367 179 K HA 0.086 4.862 4.320 0.759 0.000 0.195 179 K C -0.450 176.220 176.600 0.117 0.000 1.060 179 K CA 0.428 56.779 56.287 0.105 0.000 1.022 179 K CB 0.443 32.998 32.500 0.092 0.000 0.894 179 K HN 0.560 nan 8.250 nan 0.000 0.540 180 D N -2.966 117.538 120.400 0.173 0.000 2.893 180 D HA 0.098 5.194 4.640 0.759 0.000 0.346 180 D C -0.057 176.372 176.300 0.215 0.000 1.402 180 D CA -0.707 53.385 54.000 0.154 0.000 0.815 180 D CB 0.131 40.998 40.800 0.111 0.000 1.403 180 D HN -0.133 nan 8.370 nan 0.000 0.484 181 G N -1.338 107.526 108.800 0.106 0.000 3.695 181 G HA2 0.102 4.517 3.960 0.759 0.000 0.277 181 G HA3 0.102 4.517 3.960 0.759 0.000 0.277 181 G C 0.575 175.396 174.900 -0.133 0.000 1.001 181 G CA -0.218 44.865 45.100 -0.029 0.000 0.837 181 G HN 0.447 nan 8.290 nan 0.000 0.492 182 K N 0.630 121.039 120.400 0.015 0.000 2.362 182 K HA -0.069 4.706 4.320 0.759 0.000 0.200 182 K C 2.091 178.721 176.600 0.050 0.000 1.046 182 K CA 0.680 56.975 56.287 0.013 0.000 0.952 182 K CB -0.244 32.270 32.500 0.023 0.000 0.753 182 K HN 0.592 nan 8.250 nan 0.000 0.466 183 W N 1.591 122.899 121.300 0.014 0.000 2.381 183 W HA -0.100 5.017 4.660 0.762 0.000 0.301 183 W C 1.376 177.878 176.519 -0.028 0.000 1.205 183 W CA 0.262 57.600 57.345 -0.012 0.000 1.285 183 W CB -0.850 28.586 29.460 -0.039 0.000 1.133 183 W HN -0.012 nan 8.180 nan 0.000 0.521 184 L N 0.498 121.016 121.223 -1.176 0.000 2.109 184 L HA -0.209 4.586 4.340 0.759 0.000 0.207 184 L C 2.909 179.541 176.870 -0.396 0.000 1.086 184 L CA 2.233 56.445 54.840 -1.047 0.000 0.760 184 L CB -0.813 40.473 42.059 -1.288 0.000 0.910 184 L HN 0.064 nan 8.230 nan 0.000 0.437 185 H N -0.469 118.400 119.070 -0.335 0.000 2.389 185 H HA -0.243 4.768 4.556 0.759 0.000 0.299 185 H C 2.110 177.389 175.328 -0.081 0.000 1.081 185 H CA 1.872 57.818 56.048 -0.169 0.000 1.345 185 H CB 0.349 30.038 29.762 -0.123 0.000 1.393 185 H HN 0.256 nan 8.280 nan 0.000 0.520 186 E N 0.162 120.429 120.200 0.112 0.000 2.150 186 E HA -0.105 4.700 4.350 0.759 0.000 0.193 186 E C 2.084 178.745 176.600 0.101 0.000 0.985 186 E CA 0.819 57.309 56.400 0.149 0.000 0.814 186 E CB -0.239 29.540 29.700 0.132 0.000 0.752 186 E HN 0.553 nan 8.360 nan 0.000 0.466 187 L N -0.176 121.060 121.223 0.023 0.000 1.988 187 L HA -0.153 4.643 4.340 0.759 0.000 0.207 187 L C 2.492 179.344 176.870 -0.030 0.000 1.071 187 L CA 1.119 55.969 54.840 0.016 0.000 0.744 187 L CB -0.719 41.340 42.059 -0.000 0.000 0.893 187 L HN 0.267 nan 8.230 nan 0.000 0.433 188 A N -0.360 122.389 122.820 -0.119 0.000 1.870 188 A HA -0.358 4.418 4.320 0.759 0.000 0.219 188 A C 2.137 179.620 177.584 -0.168 0.000 1.224 188 A CA 2.305 54.238 52.037 -0.174 0.000 0.650 188 A CB -0.888 17.924 19.000 -0.313 0.000 0.836 188 A HN 0.531 nan 8.150 nan 0.000 0.454 189 Q N -2.340 117.344 119.800 -0.194 0.000 2.234 189 Q HA -0.169 4.627 4.340 0.759 0.000 0.206 189 Q C 1.321 177.071 176.000 -0.418 0.000 0.980 189 Q CA 1.513 57.152 55.803 -0.273 0.000 0.869 189 Q CB -0.074 28.549 28.738 -0.192 0.000 0.912 189 Q HN 0.879 nan 8.270 nan 0.000 0.436 190 H N -2.597 116.452 119.070 -0.035 0.000 3.622 190 H HA 0.173 5.185 4.556 0.759 0.000 0.259 190 H C -0.207 175.112 175.328 -0.015 0.000 1.145 190 H CA -0.198 55.839 56.048 -0.019 0.000 1.178 190 H CB 0.598 30.353 29.762 -0.010 0.000 1.542 190 H HN 0.103 nan 8.280 nan 0.000 0.586 191 N N 0.411 119.157 118.700 0.078 0.000 2.498 191 N HA 0.107 5.302 4.740 0.759 0.000 0.287 191 N C 0.480 176.002 175.510 0.021 0.000 1.097 191 N CA 0.224 53.305 53.050 0.051 0.000 0.973 191 N CB 1.709 40.225 38.487 0.049 0.000 1.153 191 N HN -0.113 nan 8.380 nan 0.000 0.472 192 T N -0.571 113.996 114.554 0.021 0.000 3.010 192 T HA 0.012 4.818 4.350 0.759 0.000 0.252 192 T C 1.432 176.137 174.700 0.009 0.000 0.963 192 T CA 0.195 62.300 62.100 0.009 0.000 0.952 192 T CB -0.007 68.865 68.868 0.007 0.000 1.182 192 T HN 0.626 nan 8.240 nan 0.000 0.495 193 S N 1.247 116.955 115.700 0.013 0.000 2.496 193 S HA 0.198 5.123 4.470 0.759 0.000 0.224 193 S C 0.755 175.361 174.600 0.010 0.000 0.996 193 S CA -0.255 57.950 58.200 0.009 0.000 0.927 193 S CB -0.472 62.733 63.200 0.009 0.000 0.774 193 S HN 0.223 nan 8.310 nan 0.000 0.524 194 L N 2.623 123.856 121.223 0.018 0.000 2.653 194 L HA -0.021 4.775 4.340 0.759 0.000 0.288 194 L C 1.101 177.981 176.870 0.017 0.000 1.243 194 L CA 1.008 55.861 54.840 0.022 0.000 0.906 194 L CB -0.021 42.059 42.059 0.036 0.000 1.154 194 L HN 0.281 nan 8.230 nan 0.000 0.498 195 E N 2.196 122.403 120.200 0.011 0.000 2.357 195 E HA 0.185 4.990 4.350 0.759 0.000 0.202 195 E C -0.777 175.827 176.600 0.006 0.000 0.855 195 E CA 0.100 56.503 56.400 0.005 0.000 1.048 195 E CB 1.022 30.720 29.700 -0.005 0.000 1.037 195 E HN 0.397 nan 8.360 nan 0.000 0.499 196 V N 1.742 121.656 119.914 0.000 0.000 2.656 196 V HA 0.564 5.140 4.120 0.759 0.000 0.307 196 V C -1.975 174.119 176.094 0.000 0.000 1.051 196 V CA -0.823 61.472 62.300 -0.008 0.000 0.893 196 V CB 1.870 33.676 31.823 -0.028 0.000 0.999 196 V HN 0.078 nan 8.190 nan 0.000 0.426 197 L N 5.928 127.147 121.223 -0.006 0.000 2.438 197 L HA 0.747 5.542 4.340 0.759 0.000 0.270 197 L C -1.250 175.581 176.870 -0.065 0.000 0.972 197 L CA -0.087 54.768 54.840 0.024 0.000 0.831 197 L CB 1.894 43.993 42.059 0.067 0.000 1.273 197 L HN 0.849 nan 8.230 nan 0.000 0.405 198 N N 4.814 123.512 118.700 -0.003 0.000 2.558 198 N HA 0.398 5.594 4.740 0.759 0.000 0.285 198 N C -1.713 173.864 175.510 0.112 0.000 1.112 198 N CA -0.451 52.549 53.050 -0.083 0.000 0.857 198 N CB 0.796 39.247 38.487 -0.059 0.000 1.376 198 N HN 0.461 nan 8.380 nan 0.000 0.526 199 F N 3.102 123.118 119.950 0.109 0.000 2.542 199 F HA 0.396 5.378 4.527 0.758 0.000 0.323 199 F C 0.474 176.422 175.800 0.246 0.000 1.411 199 F CA -0.953 57.176 58.000 0.215 0.000 1.124 199 F CB -0.140 39.058 39.000 0.330 0.000 1.331 199 F HN 0.230 nan 8.300 nan 0.000 0.560 200 Y N 2.008 122.331 120.300 0.038 0.000 2.070 200 Y HA 0.094 5.099 4.550 0.758 0.000 0.279 200 Y C 1.057 176.951 175.900 -0.010 0.000 1.134 200 Y CA 1.420 59.492 58.100 -0.047 0.000 1.113 200 Y CB 0.022 38.443 38.460 -0.066 0.000 0.981 200 Y HN 0.398 nan 8.280 nan 0.000 0.487 201 M N 1.624 121.196 119.600 -0.047 0.000 3.347 201 M HA 0.198 5.133 4.480 0.759 0.000 0.260 201 M C -0.802 175.474 176.300 -0.041 0.000 1.362 201 M CA 0.119 55.290 55.300 -0.214 0.000 1.497 201 M CB 0.157 32.593 32.600 -0.274 0.000 1.080 201 M HN 0.206 nan 8.290 nan 0.000 0.592 202 T N -2.433 112.159 114.554 0.063 0.000 2.971 202 T HA 0.453 5.259 4.350 0.759 0.000 0.304 202 T C -0.533 174.184 174.700 0.028 0.000 1.038 202 T CA -1.109 61.049 62.100 0.096 0.000 1.007 202 T CB 1.528 70.649 68.868 0.422 0.000 1.055 202 T HN 0.274 nan 8.240 nan 0.000 0.451 203 E N 2.928 122.998 120.200 -0.217 0.000 1.861 203 E HA 0.253 5.058 4.350 0.759 0.000 0.263 203 E C -1.161 175.270 176.600 -0.282 0.000 1.137 203 E CA -0.190 56.081 56.400 -0.215 0.000 0.944 203 E CB -0.121 29.411 29.700 -0.280 0.000 1.092 203 E HN 0.552 nan 8.360 nan 0.000 0.420 204 F N 0.681 120.638 119.950 0.011 0.000 2.427 204 F HA 0.389 5.371 4.527 0.759 0.000 0.346 204 F C 0.924 176.688 175.800 -0.059 0.000 1.120 204 F CA -0.638 57.379 58.000 0.028 0.000 1.033 204 F CB 1.876 40.884 39.000 0.013 0.000 1.126 204 F HN 0.403 nan 8.300 nan 0.000 0.462 205 A N 2.927 125.839 122.820 0.153 0.000 2.508 205 A HA 0.270 5.045 4.320 0.759 0.000 0.250 205 A C 0.978 178.609 177.584 0.079 0.000 1.208 205 A CA -0.112 51.965 52.037 0.066 0.000 0.960 205 A CB 0.072 19.089 19.000 0.029 0.000 1.099 205 A HN 0.705 nan 8.150 nan 0.000 0.542 206 K N 0.692 121.170 120.400 0.130 0.000 2.506 206 K HA 0.310 5.086 4.320 0.759 0.000 0.204 206 K C -0.312 176.326 176.600 0.063 0.000 1.045 206 K CA -0.038 56.311 56.287 0.102 0.000 1.074 206 K CB 0.498 33.074 32.500 0.125 0.000 0.842 206 K HN 0.671 nan 8.250 nan 0.000 0.514 207 I N -1.576 119.006 120.570 0.021 0.000 2.359 207 I HA 0.342 4.967 4.170 0.759 0.000 0.294 207 I C -0.021 176.163 176.117 0.113 0.000 0.987 207 I CA -0.697 60.567 61.300 -0.060 0.000 1.225 207 I CB 1.788 39.623 38.000 -0.275 0.000 1.366 207 I HN -0.202 nan 8.210 nan 0.000 0.466 208 S N 7.063 122.810 115.700 0.079 0.000 2.523 208 S HA 0.359 5.284 4.470 0.759 0.000 0.275 208 S C -1.048 173.618 174.600 0.111 0.000 1.281 208 S CA -1.399 56.874 58.200 0.121 0.000 1.050 208 S CB 0.832 64.065 63.200 0.054 0.000 0.937 208 S HN 0.649 nan 8.310 nan 0.000 0.492 209 P HA -0.110 nan 4.420 nan 0.000 0.218 209 P C 0.956 178.117 177.300 -0.232 0.000 1.149 209 P CA 0.922 63.778 63.100 -0.408 0.000 0.817 209 P CB 0.112 31.438 31.700 -0.622 0.000 0.785 210 K N 0.086 120.415 120.400 -0.117 0.000 2.160 210 K HA -0.166 4.609 4.320 0.759 0.000 0.206 210 K C 1.627 178.162 176.600 -0.109 0.000 1.047 210 K CA 1.260 57.492 56.287 -0.090 0.000 0.930 210 K CB -0.710 31.761 32.500 -0.048 0.000 0.720 210 K HN 0.227 nan 8.250 nan 0.000 0.450 211 D N 0.818 121.146 120.400 -0.120 0.000 2.123 211 D HA -0.108 4.987 4.640 0.759 0.000 0.200 211 D C 1.906 178.114 176.300 -0.154 0.000 0.976 211 D CA 0.484 54.382 54.000 -0.171 0.000 0.831 211 D CB -0.086 40.600 40.800 -0.190 0.000 0.974 211 D HN 0.002 nan 8.370 nan 0.000 0.469 212 L N 1.565 122.695 121.223 -0.155 0.000 2.083 212 L HA -0.120 4.676 4.340 0.759 0.000 0.209 212 L C 2.084 178.913 176.870 -0.069 0.000 1.083 212 L CA 1.709 56.447 54.840 -0.171 0.000 0.752 212 L CB -0.617 41.240 42.059 -0.336 0.000 0.899 212 L HN 0.006 nan 8.230 nan 0.000 0.433 213 E N -1.377 118.788 120.200 -0.059 0.000 2.028 213 E HA -0.266 4.540 4.350 0.759 0.000 0.191 213 E C 2.041 178.650 176.600 0.014 0.000 0.988 213 E CA 1.678 58.108 56.400 0.049 0.000 0.799 213 E CB -0.212 29.478 29.700 -0.015 0.000 0.755 213 E HN 0.527 nan 8.360 nan 0.000 0.447 214 T N -0.073 114.451 114.554 -0.049 0.000 2.929 214 T HA -0.107 4.699 4.350 0.759 0.000 0.271 214 T C 1.864 176.533 174.700 -0.053 0.000 1.085 214 T CA 1.089 63.149 62.100 -0.068 0.000 1.125 214 T CB -0.284 68.514 68.868 -0.116 0.000 0.874 214 T HN 0.208 nan 8.240 nan 0.000 0.494 215 I N 0.961 121.512 120.570 -0.032 0.000 2.233 215 I HA -0.012 4.613 4.170 0.759 0.000 0.243 215 I C 3.070 179.205 176.117 0.031 0.000 1.093 215 I CA 1.067 62.362 61.300 -0.009 0.000 1.380 215 I CB -0.625 37.376 38.000 0.003 0.000 1.067 215 I HN 0.332 nan 8.210 nan 0.000 0.413 216 A N 0.632 123.506 122.820 0.089 0.000 1.978 216 A HA -0.246 4.530 4.320 0.759 0.000 0.220 216 A C 2.358 179.935 177.584 -0.012 0.000 1.170 216 A CA 1.675 53.754 52.037 0.070 0.000 0.636 216 A CB -0.600 18.450 19.000 0.082 0.000 0.810 216 A HN 0.310 nan 8.150 nan 0.000 0.448 217 R N -0.671 119.818 120.500 -0.017 0.000 2.148 217 R HA -0.032 4.763 4.340 0.759 0.000 0.223 217 R C 1.304 177.584 176.300 -0.034 0.000 1.088 217 R CA 1.385 57.463 56.100 -0.037 0.000 0.985 217 R CB -0.050 30.226 30.300 -0.041 0.000 0.880 217 R HN 0.490 nan 8.270 nan 0.000 0.451 218 N N -1.214 117.470 118.700 -0.028 0.000 2.388 218 N HA 0.036 5.231 4.740 0.759 0.000 0.176 218 N C -0.560 174.941 175.510 -0.016 0.000 1.062 218 N CA 0.393 53.426 53.050 -0.028 0.000 0.895 218 N CB 0.586 39.051 38.487 -0.036 0.000 1.018 218 N HN 0.087 nan 8.380 nan 0.000 0.456 219 C N 1.931 121.227 119.300 -0.007 0.000 2.184 219 C HA 0.393 5.308 4.460 0.759 0.000 0.328 219 C C 1.588 176.574 174.990 -0.007 0.000 1.081 219 C CA -0.880 58.137 59.018 -0.001 0.000 1.533 219 C CB -0.157 27.592 27.740 0.014 0.000 1.905 219 C HN 0.169 nan 8.230 nan 0.000 0.439 220 R N 1.047 121.540 120.500 -0.013 0.000 2.193 220 R HA -0.051 4.744 4.340 0.759 0.000 0.229 220 R C 1.803 178.094 176.300 -0.015 0.000 1.110 220 R CA 0.933 57.022 56.100 -0.018 0.000 0.988 220 R CB -0.211 30.078 30.300 -0.018 0.000 0.871 220 R HN 0.602 nan 8.270 nan 0.000 0.458 221 S N -0.046 115.648 115.700 -0.008 0.000 2.597 221 S HA 0.157 5.083 4.470 0.759 0.000 0.224 221 S C -0.106 174.493 174.600 -0.002 0.000 0.955 221 S CA -0.496 57.699 58.200 -0.007 0.000 0.933 221 S CB 0.032 63.229 63.200 -0.006 0.000 0.788 221 S HN 0.060 nan 8.310 nan 0.000 0.488 222 L N 2.434 123.659 121.223 0.003 0.000 2.530 222 L HA 0.143 4.938 4.340 0.759 0.000 0.273 222 L C 0.731 177.610 176.870 0.015 0.000 1.141 222 L CA 0.675 55.526 54.840 0.018 0.000 0.905 222 L CB 0.458 42.539 42.059 0.036 0.000 1.202 222 L HN 0.012 nan 8.230 nan 0.000 0.473 223 V N 2.484 122.408 119.914 0.017 0.000 3.307 223 V HA 0.267 4.843 4.120 0.759 0.000 0.244 223 V C 0.575 176.684 176.094 0.025 0.000 1.196 223 V CA 0.754 63.062 62.300 0.013 0.000 1.132 223 V CB 0.691 32.514 31.823 0.000 0.000 0.875 223 V HN 0.786 nan 8.190 nan 0.000 0.468 224 S N 0.023 115.736 115.700 0.022 0.000 2.540 224 S HA 0.721 5.646 4.470 0.759 0.000 0.275 224 S C -1.550 173.048 174.600 -0.004 0.000 1.123 224 S CA -0.200 58.006 58.200 0.010 0.000 0.907 224 S CB 1.980 65.162 63.200 -0.030 0.000 1.081 224 S HN 0.584 nan 8.310 nan 0.000 0.476 225 V N 4.009 123.900 119.914 -0.038 0.000 2.752 225 V HA 0.710 5.285 4.120 0.759 0.000 0.302 225 V C -1.857 173.981 176.094 -0.426 0.000 1.133 225 V CA -0.557 61.649 62.300 -0.157 0.000 0.919 225 V CB 1.632 33.441 31.823 -0.024 0.000 1.026 225 V HN 1.000 nan 8.190 nan 0.000 0.429 226 K N 4.416 124.493 120.400 -0.538 0.000 2.328 226 K HA 0.932 5.707 4.320 0.759 0.000 0.246 226 K C -1.441 174.707 176.600 -0.752 0.000 0.955 226 K CA -0.875 54.992 56.287 -0.701 0.000 0.817 226 K CB 2.761 34.896 32.500 -0.608 0.000 1.208 226 K HN 0.579 nan 8.250 nan 0.000 0.432 227 V N 0.268 119.850 119.914 -0.554 0.000 3.206 227 V HA 0.417 4.992 4.120 0.759 0.000 0.305 227 V C 0.355 176.487 176.094 0.064 0.000 1.257 227 V CA -0.623 61.429 62.300 -0.413 0.000 1.057 227 V CB 2.255 33.933 31.823 -0.242 0.000 1.075 227 V HN 1.011 nan 8.190 nan 0.000 0.443 228 G N -0.249 108.704 108.800 0.254 0.000 2.803 228 G HA2 0.139 4.554 3.960 0.759 0.000 0.177 228 G HA3 0.139 4.554 3.960 0.759 0.000 0.177 228 G C -0.108 174.898 174.900 0.177 0.000 1.629 228 G CA 0.121 45.365 45.100 0.240 0.000 1.077 228 G HN 0.658 nan 8.290 nan 0.000 0.556 229 D N 0.145 120.621 120.400 0.126 0.000 2.706 229 D HA 0.239 5.334 4.640 0.759 0.000 0.236 229 D C -0.002 176.422 176.300 0.206 0.000 1.231 229 D CA -0.253 53.861 54.000 0.190 0.000 0.828 229 D CB -0.385 40.511 40.800 0.160 0.000 1.015 229 D HN 0.111 nan 8.370 nan 0.000 0.484 230 F N 1.205 121.278 119.950 0.205 0.000 2.595 230 F HA -0.074 4.909 4.527 0.759 0.000 0.359 230 F C 1.601 177.511 175.800 0.183 0.000 1.147 230 F CA 0.080 58.183 58.000 0.172 0.000 1.341 230 F CB 0.759 39.851 39.000 0.153 0.000 1.104 230 F HN -0.187 nan 8.300 nan 0.000 0.603 231 E N 3.448 123.899 120.200 0.419 0.000 2.257 231 E HA 0.041 4.846 4.350 0.759 0.000 0.278 231 E C 0.906 177.671 176.600 0.275 0.000 1.049 231 E CA -0.056 56.524 56.400 0.300 0.000 0.876 231 E CB 0.954 30.794 29.700 0.233 0.000 1.035 231 E HN 0.535 nan 8.360 nan 0.000 0.419 232 I N 4.532 125.278 120.570 0.292 0.000 2.315 232 I HA -0.333 4.293 4.170 0.759 0.000 0.251 232 I C 2.142 178.417 176.117 0.263 0.000 1.125 232 I CA 1.090 62.556 61.300 0.277 0.000 1.392 232 I CB -0.081 38.027 38.000 0.179 0.000 1.065 232 I HN 0.610 nan 8.210 nan 0.000 0.424 233 L N -0.288 121.109 121.223 0.290 0.000 2.131 233 L HA -0.225 4.570 4.340 0.759 0.000 0.210 233 L C 2.123 179.052 176.870 0.100 0.000 1.092 233 L CA 1.354 56.307 54.840 0.188 0.000 0.759 233 L CB -0.518 41.620 42.059 0.132 0.000 0.903 233 L HN 0.331 nan 8.230 nan 0.000 0.435 234 E N -0.296 119.950 120.200 0.077 0.000 2.478 234 E HA -0.108 4.697 4.350 0.759 0.000 0.198 234 E C 1.733 178.287 176.600 -0.077 0.000 1.046 234 E CA 0.409 56.805 56.400 -0.007 0.000 0.870 234 E CB 0.174 29.862 29.700 -0.021 0.000 0.818 234 E HN 0.515 nan 8.360 nan 0.000 0.527 235 L N 0.118 121.328 121.223 -0.022 0.000 2.640 235 L HA 0.031 4.826 4.340 0.759 0.000 0.230 235 L C 1.739 178.662 176.870 0.087 0.000 1.123 235 L CA -0.148 54.649 54.840 -0.072 0.000 0.900 235 L CB 0.497 42.472 42.059 -0.139 0.000 1.146 235 L HN 0.019 nan 8.230 nan 0.000 0.484 236 V N 0.061 120.059 119.914 0.140 0.000 2.392 236 V HA -0.216 4.360 4.120 0.759 0.000 0.249 236 V C 2.608 178.747 176.094 0.074 0.000 1.059 236 V CA 2.062 64.454 62.300 0.154 0.000 1.051 236 V CB -1.330 30.522 31.823 0.049 0.000 0.658 236 V HN 0.578 nan 8.190 nan 0.000 0.455 237 G N -0.360 108.455 108.800 0.026 0.000 2.446 237 G HA2 -0.317 4.098 3.960 0.759 0.000 0.217 237 G HA3 -0.317 4.098 3.960 0.759 0.000 0.217 237 G C 1.470 176.365 174.900 -0.007 0.000 1.168 237 G CA 1.096 46.194 45.100 -0.003 0.000 0.771 237 G HN 0.481 nan 8.290 nan 0.000 0.551 238 F N 1.260 121.102 119.950 -0.181 0.000 2.011 238 F HA -0.063 4.920 4.527 0.759 0.000 0.296 238 F C 2.433 178.105 175.800 -0.213 0.000 1.144 238 F CA 1.611 59.456 58.000 -0.259 0.000 1.185 238 F CB -0.796 37.941 39.000 -0.438 0.000 0.961 238 F HN 0.138 nan 8.300 nan 0.000 0.485 239 F N 0.836 120.569 119.950 -0.361 0.000 2.154 239 F HA -0.256 4.726 4.527 0.759 0.000 0.301 239 F C 2.468 178.045 175.800 -0.371 0.000 1.087 239 F CA 1.863 59.569 58.000 -0.491 0.000 1.274 239 F CB -0.595 38.202 39.000 -0.338 0.000 1.009 239 F HN -0.019 nan 8.300 nan 0.000 0.485 240 K N -0.149 120.209 120.400 -0.070 0.000 2.097 240 K HA -0.102 4.674 4.320 0.759 0.000 0.205 240 K C 2.207 178.734 176.600 -0.121 0.000 1.050 240 K CA 1.196 57.433 56.287 -0.083 0.000 0.938 240 K CB -0.364 32.102 32.500 -0.057 0.000 0.718 240 K HN 0.252 nan 8.250 nan 0.000 0.442 241 A N 0.941 123.665 122.820 -0.159 0.000 2.072 241 A HA 0.137 4.912 4.320 0.759 0.000 0.216 241 A C 1.539 179.009 177.584 -0.190 0.000 1.156 241 A CA 0.707 52.657 52.037 -0.144 0.000 0.701 241 A CB 0.030 18.966 19.000 -0.107 0.000 0.816 241 A HN 0.228 nan 8.150 nan 0.000 0.458 242 A N 0.208 122.829 122.820 -0.333 0.000 3.074 242 A HA 0.578 5.353 4.320 0.759 0.000 0.251 242 A C 1.620 179.086 177.584 -0.197 0.000 1.695 242 A CA 0.638 52.465 52.037 -0.350 0.000 1.343 242 A CB -1.097 17.450 19.000 -0.755 0.000 1.078 242 A HN 0.805 nan 8.150 nan 0.000 0.644 243 A N 1.469 124.210 122.820 -0.130 0.000 1.859 243 A HA -0.235 4.541 4.320 0.759 0.000 0.218 243 A C 1.717 179.258 177.584 -0.072 0.000 1.209 243 A CA 2.040 54.022 52.037 -0.091 0.000 0.639 243 A CB -0.515 18.443 19.000 -0.070 0.000 0.835 243 A HN 0.575 nan 8.150 nan 0.000 0.450 244 N N -0.339 118.326 118.700 -0.058 0.000 2.515 244 N HA 0.066 5.262 4.740 0.759 0.000 0.191 244 N C -0.004 175.489 175.510 -0.029 0.000 1.182 244 N CA -0.061 52.965 53.050 -0.039 0.000 0.879 244 N CB -0.603 37.866 38.487 -0.030 0.000 0.984 244 N HN 0.398 nan 8.380 nan 0.000 0.453 245 L N 1.385 122.587 121.223 -0.034 0.000 2.559 245 L HA -0.036 4.760 4.340 0.759 0.000 0.274 245 L C 1.035 177.914 176.870 0.014 0.000 1.205 245 L CA 0.828 55.670 54.840 0.004 0.000 0.907 245 L CB 0.380 42.443 42.059 0.007 0.000 1.153 245 L HN 0.174 nan 8.230 nan 0.000 0.490 246 E N 2.710 122.927 120.200 0.028 0.000 2.434 246 E HA 0.116 4.922 4.350 0.759 0.000 0.207 246 E C -0.216 176.412 176.600 0.046 0.000 0.929 246 E CA 0.062 56.474 56.400 0.020 0.000 1.001 246 E CB 0.762 30.466 29.700 0.006 0.000 1.016 246 E HN 0.673 nan 8.360 nan 0.000 0.502 247 E N 0.540 120.785 120.200 0.075 0.000 2.275 247 E HA 0.377 5.183 4.350 0.759 0.000 0.270 247 E C -1.873 174.828 176.600 0.168 0.000 0.882 247 E CA -0.592 55.855 56.400 0.078 0.000 0.758 247 E CB 1.477 31.179 29.700 0.004 0.000 1.195 247 E HN -0.041 nan 8.360 nan 0.000 0.419 248 F N 5.169 125.141 119.950 0.036 0.000 2.617 248 F HA 0.498 5.481 4.527 0.760 0.000 0.325 248 F C -1.514 174.279 175.800 -0.012 0.000 1.179 248 F CA -0.511 57.531 58.000 0.071 0.000 0.965 248 F CB 0.822 39.990 39.000 0.281 0.000 1.232 248 F HN 0.552 nan 8.300 nan 0.000 0.461 249 C N 3.956 122.930 119.300 -0.543 0.000 2.529 249 C HA 1.018 5.933 4.460 0.759 0.000 0.329 249 C C 0.670 175.245 174.990 -0.692 0.000 1.194 249 C CA 0.205 58.918 59.018 -0.509 0.000 1.779 249 C CB 0.702 27.890 27.740 -0.920 0.000 2.322 249 C HN 1.316 nan 8.230 nan 0.000 0.500 250 G N 0.768 109.521 108.800 -0.079 0.000 2.378 250 G HA2 0.491 4.907 3.960 0.759 0.000 0.198 250 G HA3 0.491 4.907 3.960 0.759 0.000 0.198 250 G C 0.100 175.214 174.900 0.357 0.000 1.223 250 G CA 0.114 45.294 45.100 0.134 0.000 1.088 250 G HN 2.622 nan 8.290 nan 0.000 0.530 251 G N -1.423 107.601 108.800 0.373 0.000 2.698 251 G HA2 0.396 4.811 3.960 0.759 0.000 0.233 251 G HA3 0.396 4.811 3.960 0.759 0.000 0.233 251 G C 0.308 175.443 174.900 0.391 0.000 1.352 251 G CA 1.232 46.622 45.100 0.483 0.000 0.879 251 G HN 2.566 nan 8.290 nan 0.000 0.567 252 S N -1.354 114.571 115.700 0.376 0.000 2.592 252 S HA 0.592 5.518 4.470 0.759 0.000 0.275 252 S C -0.757 173.995 174.600 0.254 0.000 1.169 252 S CA -0.522 57.913 58.200 0.392 0.000 0.958 252 S CB 0.979 64.392 63.200 0.355 0.000 1.095 252 S HN 1.055 nan 8.310 nan 0.000 0.471 253 L N 5.186 126.536 121.223 0.212 0.000 2.297 253 L HA 0.500 5.295 4.340 0.759 0.000 0.277 253 L C -0.388 176.575 176.870 0.156 0.000 1.040 253 L CA -0.575 54.273 54.840 0.012 0.000 0.867 253 L CB 0.727 42.709 42.059 -0.128 0.000 1.244 253 L HN 0.586 nan 8.230 nan 0.000 0.433 254 N N 3.715 122.580 118.700 0.274 0.000 2.437 254 N HA 0.191 5.386 4.740 0.759 0.000 0.259 254 N C -0.590 175.087 175.510 0.278 0.000 0.983 254 N CA -0.465 52.713 53.050 0.213 0.000 0.937 254 N CB 1.792 40.368 38.487 0.149 0.000 1.122 254 N HN 0.551 nan 8.380 nan 0.000 0.499 255 E N 0.606 120.924 120.200 0.197 0.000 2.109 255 E HA 0.207 5.013 4.350 0.759 0.000 0.278 255 E C -0.878 175.768 176.600 0.077 0.000 0.954 255 E CA -0.931 55.566 56.400 0.162 0.000 0.779 255 E CB 0.912 30.709 29.700 0.161 0.000 1.093 255 E HN 0.389 nan 8.360 nan 0.000 0.401 256 D N 4.319 124.742 120.400 0.039 0.000 2.229 256 D HA 0.081 5.177 4.640 0.759 0.000 0.249 256 D C 0.902 177.208 176.300 0.011 0.000 1.027 256 D CA -0.758 53.253 54.000 0.018 0.000 0.923 256 D CB 1.232 42.035 40.800 0.004 0.000 1.174 256 D HN 0.353 nan 8.370 nan 0.000 0.443 257 I N 1.121 121.698 120.570 0.011 0.000 2.676 257 I HA -0.040 4.585 4.170 0.759 0.000 0.259 257 I C 2.297 178.414 176.117 0.000 0.000 1.194 257 I CA 0.629 61.935 61.300 0.010 0.000 1.473 257 I CB -1.534 36.473 38.000 0.012 0.000 1.096 257 I HN 0.658 nan 8.210 nan 0.000 0.443 258 G N 0.753 109.549 108.800 -0.006 0.000 2.708 258 G HA2 -0.041 4.375 3.960 0.759 0.000 0.210 258 G HA3 -0.041 4.375 3.960 0.759 0.000 0.210 258 G C 0.866 175.752 174.900 -0.024 0.000 1.141 258 G CA 0.121 45.214 45.100 -0.013 0.000 0.788 258 G HN 0.308 nan 8.290 nan 0.000 0.531 259 M N -0.085 119.496 119.600 -0.032 0.000 2.060 259 M HA 0.194 5.129 4.480 0.759 0.000 0.231 259 M C -2.420 173.856 176.300 -0.039 0.000 0.936 259 M CA -1.209 54.060 55.300 -0.051 0.000 0.981 259 M CB 2.759 35.302 32.600 -0.096 0.000 2.216 259 M HN -0.153 nan 8.290 nan 0.000 0.399 260 P HA -0.048 nan 4.420 nan 0.000 0.221 260 P C 0.078 177.384 177.300 0.010 0.000 1.150 260 P CA 1.107 64.212 63.100 0.007 0.000 0.800 260 P CB 0.344 32.051 31.700 0.011 0.000 0.787 261 E N -0.419 119.775 120.200 -0.010 0.000 2.663 261 E HA 0.071 4.876 4.350 0.759 0.000 0.240 261 E C 1.127 177.694 176.600 -0.054 0.000 1.227 261 E CA -0.204 56.191 56.400 -0.008 0.000 1.528 261 E CB 0.059 29.758 29.700 -0.001 0.000 1.472 261 E HN 0.151 nan 8.360 nan 0.000 0.433 262 K N 0.075 120.404 120.400 -0.118 0.000 2.007 262 K HA -0.087 4.689 4.320 0.759 0.000 0.206 262 K C 0.583 177.000 176.600 -0.306 0.000 1.047 262 K CA 1.139 57.249 56.287 -0.296 0.000 0.937 262 K CB 0.191 32.368 32.500 -0.538 0.000 0.718 262 K HN 0.286 nan 8.250 nan 0.000 0.438 263 Y N 0.002 120.305 120.300 0.006 0.000 2.645 263 Y HA 0.158 5.164 4.550 0.759 0.000 0.307 263 Y C 0.831 176.726 175.900 -0.010 0.000 1.151 263 Y CA -0.668 57.429 58.100 -0.004 0.000 1.291 263 Y CB 0.626 39.095 38.460 0.014 0.000 1.135 263 Y HN 0.039 nan 8.280 nan 0.000 0.523 264 M N -0.425 119.226 119.600 0.086 0.000 2.431 264 M HA 0.120 5.056 4.480 0.759 0.000 0.237 264 M C -0.057 176.264 176.300 0.035 0.000 1.130 264 M CA 0.498 55.838 55.300 0.066 0.000 1.002 264 M CB -0.314 32.316 32.600 0.050 0.000 1.524 264 M HN 0.186 nan 8.290 nan 0.000 0.482 265 N N 0.617 119.325 118.700 0.014 0.000 2.598 265 N HA 0.213 5.409 4.740 0.759 0.000 0.309 265 N C -1.096 174.377 175.510 -0.061 0.000 1.645 265 N CA -0.070 52.970 53.050 -0.017 0.000 0.936 265 N CB 0.856 39.329 38.487 -0.023 0.000 1.323 265 N HN 0.055 nan 8.380 nan 0.000 0.497 266 L N 1.786 122.955 121.223 -0.089 0.000 2.257 266 L HA 0.343 5.139 4.340 0.759 0.000 0.290 266 L C 0.293 176.975 176.870 -0.314 0.000 1.044 266 L CA -0.650 54.017 54.840 -0.289 0.000 0.810 266 L CB 0.991 42.785 42.059 -0.442 0.000 1.193 266 L HN 0.006 nan 8.230 nan 0.000 0.425 267 V N 1.876 121.582 119.914 -0.346 0.000 2.222 267 V HA 0.317 4.892 4.120 0.759 0.000 0.253 267 V C 0.252 176.114 176.094 -0.386 0.000 1.210 267 V CA -0.670 61.480 62.300 -0.250 0.000 1.079 267 V CB -1.092 30.643 31.823 -0.147 0.000 1.265 267 V HN 0.351 nan 8.190 nan 0.000 0.494 268 F N 4.300 124.057 119.950 -0.321 0.000 2.429 268 F HA 0.466 5.449 4.527 0.759 0.000 0.348 268 F C -1.282 174.309 175.800 -0.348 0.000 1.109 268 F CA -1.823 55.904 58.000 -0.454 0.000 1.232 268 F CB 0.579 39.287 39.000 -0.487 0.000 1.157 268 F HN 0.332 nan 8.300 nan 0.000 0.564 269 P HA 0.020 nan 4.420 nan 0.000 0.266 269 P C 0.342 177.536 177.300 -0.175 0.000 1.193 269 P CA 0.050 63.100 63.100 -0.084 0.000 0.770 269 P CB 0.582 32.264 31.700 -0.030 0.000 0.836 270 R N 2.455 122.867 120.500 -0.146 0.000 2.070 270 R HA -0.142 4.654 4.340 0.759 0.000 0.233 270 R C 1.523 177.720 176.300 -0.172 0.000 1.137 270 R CA 1.537 57.539 56.100 -0.162 0.000 0.945 270 R CB -0.443 29.798 30.300 -0.099 0.000 0.845 270 R HN 0.519 nan 8.270 nan 0.000 0.430 271 K N 1.038 121.369 120.400 -0.115 0.000 2.504 271 K HA 0.074 4.850 4.320 0.759 0.000 0.195 271 K C 0.816 177.364 176.600 -0.086 0.000 1.036 271 K CA -0.050 56.188 56.287 -0.083 0.000 0.984 271 K CB -0.062 32.408 32.500 -0.050 0.000 0.788 271 K HN 0.131 nan 8.250 nan 0.000 0.488 272 L N 1.849 122.988 121.223 -0.140 0.000 2.700 272 L HA -0.121 4.674 4.340 0.759 0.000 0.272 272 L C 0.847 177.686 176.870 -0.052 0.000 1.176 272 L CA 0.123 54.902 54.840 -0.103 0.000 0.961 272 L CB 0.149 42.106 42.059 -0.170 0.000 1.249 272 L HN 0.417 nan 8.230 nan 0.000 0.487 273 C N 2.160 121.468 119.300 0.014 0.000 3.724 273 C HA 0.422 5.337 4.460 0.759 0.000 0.327 273 C C 0.726 175.742 174.990 0.044 0.000 1.490 273 C CA -0.761 58.285 59.018 0.048 0.000 1.825 273 C CB -0.083 27.674 27.740 0.030 0.000 2.613 273 C HN 0.802 nan 8.230 nan 0.000 0.692 274 R N 1.505 122.027 120.500 0.037 0.000 2.451 274 R HA 0.827 5.622 4.340 0.759 0.000 0.307 274 R C -0.890 175.433 176.300 0.038 0.000 0.965 274 R CA -0.041 56.073 56.100 0.023 0.000 0.865 274 R CB 1.605 31.908 30.300 0.005 0.000 1.174 274 R HN 0.694 nan 8.270 nan 0.000 0.455 275 L N -1.188 120.052 121.223 0.029 0.000 2.892 275 L HA 1.001 5.796 4.340 0.759 0.000 0.269 275 L C -1.101 175.791 176.870 0.036 0.000 1.058 275 L CA -0.868 54.008 54.840 0.060 0.000 0.923 275 L CB 2.264 44.374 42.059 0.087 0.000 1.518 275 L HN 0.536 nan 8.230 nan 0.000 0.402 276 G N 1.544 110.398 108.800 0.090 0.000 2.020 276 G HA2 0.437 4.853 3.960 0.759 0.000 0.304 276 G HA3 0.437 4.853 3.960 0.759 0.000 0.304 276 G C -1.446 173.560 174.900 0.176 0.000 1.500 276 G CA -0.657 44.495 45.100 0.086 0.000 1.120 276 G HN 0.630 nan 8.290 nan 0.000 0.555 277 L N 1.681 122.994 121.223 0.151 0.000 2.326 277 L HA 0.455 5.250 4.340 0.759 0.000 0.278 277 L C 0.696 177.652 176.870 0.142 0.000 1.092 277 L CA -0.553 54.411 54.840 0.206 0.000 0.810 277 L CB 1.468 43.610 42.059 0.139 0.000 1.153 277 L HN 0.410 nan 8.230 nan 0.000 0.439 278 S N 1.662 117.456 115.700 0.157 0.000 2.565 278 S HA 0.271 5.197 4.470 0.759 0.000 0.274 278 S C -0.110 174.500 174.600 0.017 0.000 1.309 278 S CA -0.285 57.895 58.200 -0.033 0.000 1.043 278 S CB 0.334 63.428 63.200 -0.177 0.000 0.939 278 S HN 0.624 nan 8.310 nan 0.000 0.504 279 Y N -1.756 118.620 120.300 0.126 0.000 4.798 279 Y HA -0.249 4.757 4.550 0.759 0.000 0.237 279 Y C 0.568 176.495 175.900 0.046 0.000 1.017 279 Y CA 0.432 58.582 58.100 0.084 0.000 2.010 279 Y CB -2.353 36.154 38.460 0.079 0.000 1.582 279 Y HN 0.715 nan 8.280 nan 0.000 0.621 280 M N 1.612 121.278 119.600 0.111 0.000 2.356 280 M HA 0.360 5.295 4.480 0.759 0.000 0.348 280 M C 0.985 177.301 176.300 0.026 0.000 1.595 280 M CA 1.075 56.394 55.300 0.033 0.000 1.095 280 M CB 0.177 32.761 32.600 -0.026 0.000 1.963 280 M HN 0.351 nan 8.290 nan 0.000 0.459 281 G N 5.066 113.887 108.800 0.035 0.000 2.537 281 G HA2 0.497 4.912 3.960 0.759 0.000 0.297 281 G HA3 0.497 4.912 3.960 0.759 0.000 0.297 281 G C -2.451 172.455 174.900 0.009 0.000 1.310 281 G CA -1.214 43.909 45.100 0.037 0.000 1.027 281 G HN 0.567 nan 8.290 nan 0.000 0.505 282 P HA -0.049 nan 4.420 nan 0.000 0.219 282 P C 1.486 178.806 177.300 0.033 0.000 1.150 282 P CA 0.667 63.780 63.100 0.022 0.000 0.814 282 P CB 0.225 31.949 31.700 0.040 0.000 0.787 283 N N 0.182 118.911 118.700 0.048 0.000 2.223 283 N HA -0.134 5.061 4.740 0.759 0.000 0.185 283 N C 1.376 176.925 175.510 0.066 0.000 1.016 283 N CA 1.191 54.281 53.050 0.066 0.000 0.863 283 N CB -0.479 38.056 38.487 0.081 0.000 0.983 283 N HN 0.403 nan 8.380 nan 0.000 0.429 284 E N 0.590 120.817 120.200 0.044 0.000 2.431 284 E HA 0.017 4.822 4.350 0.759 0.000 0.200 284 E C 1.788 178.341 176.600 -0.080 0.000 0.995 284 E CA -0.122 56.292 56.400 0.024 0.000 0.915 284 E CB -0.398 29.301 29.700 -0.002 0.000 0.930 284 E HN 0.344 nan 8.360 nan 0.000 0.496 285 M N 1.940 121.467 119.600 -0.122 0.000 2.143 285 M HA -0.107 4.829 4.480 0.759 0.000 0.258 285 M C -0.950 175.014 176.300 -0.559 0.000 1.071 285 M CA 1.852 56.986 55.300 -0.276 0.000 1.088 285 M CB -1.004 31.470 32.600 -0.211 0.000 1.360 285 M HN -0.083 nan 8.290 nan 0.000 0.404 286 P HA -0.167 nan 4.420 nan 0.000 0.218 286 P C 1.465 178.536 177.300 -0.381 0.000 1.146 286 P CA 1.595 64.444 63.100 -0.418 0.000 0.813 286 P CB -0.809 30.967 31.700 0.128 0.000 0.778 287 I N -4.798 115.635 120.570 -0.229 0.000 3.241 287 I HA -0.102 4.524 4.170 0.759 0.000 0.280 287 I C 1.366 177.354 176.117 -0.214 0.000 1.320 287 I CA 1.270 62.531 61.300 -0.066 0.000 1.413 287 I CB -0.697 37.364 38.000 0.102 0.000 1.060 287 I HN -0.066 nan 8.210 nan 0.000 0.500 288 L N -0.763 120.117 121.223 -0.571 0.000 2.463 288 L HA 0.126 4.921 4.340 0.759 0.000 0.219 288 L C 2.117 178.485 176.870 -0.836 0.000 1.088 288 L CA 0.206 54.526 54.840 -0.866 0.000 0.849 288 L CB -0.308 41.290 42.059 -0.768 0.000 1.012 288 L HN 0.111 nan 8.230 nan 0.000 0.468 289 F N 1.107 120.839 119.950 -0.364 0.000 2.069 289 F HA -0.114 4.869 4.527 0.759 0.000 0.298 289 F C -0.205 175.455 175.800 -0.234 0.000 1.113 289 F CA 0.911 58.753 58.000 -0.264 0.000 1.214 289 F CB -2.468 36.446 39.000 -0.144 0.000 0.978 289 F HN 0.087 nan 8.300 nan 0.000 0.474 290 P HA -0.194 nan 4.420 nan 0.000 0.225 290 P C 0.214 177.638 177.300 0.206 0.000 1.141 290 P CA 1.525 64.704 63.100 0.131 0.000 0.774 290 P CB -0.597 31.234 31.700 0.219 0.000 0.760 291 F N -6.831 113.125 119.950 0.009 0.000 2.916 291 F HA 0.631 5.613 4.527 0.759 0.000 0.331 291 F C 1.185 176.968 175.800 -0.028 0.000 1.268 291 F CA -0.530 57.460 58.000 -0.017 0.000 1.016 291 F CB -0.781 38.194 39.000 -0.042 0.000 1.386 291 F HN -0.257 nan 8.300 nan 0.000 0.503 292 A N 0.988 123.673 122.820 -0.225 0.000 2.067 292 A HA 0.264 5.039 4.320 0.759 0.000 0.219 292 A C 2.239 179.803 177.584 -0.034 0.000 1.158 292 A CA 1.421 53.351 52.037 -0.178 0.000 0.661 292 A CB -0.804 18.123 19.000 -0.121 0.000 0.801 292 A HN 0.686 nan 8.150 nan 0.000 0.452 293 A N -1.117 121.712 122.820 0.014 0.000 2.172 293 A HA -0.102 4.673 4.320 0.759 0.000 0.216 293 A C 1.983 179.596 177.584 0.049 0.000 1.154 293 A CA 1.512 53.569 52.037 0.033 0.000 0.701 293 A CB -0.289 18.735 19.000 0.039 0.000 0.789 293 A HN 0.661 nan 8.150 nan 0.000 0.465 294 Q N -0.802 119.045 119.800 0.079 0.000 2.402 294 Q HA 0.239 5.034 4.340 0.759 0.000 0.231 294 Q C 0.018 176.070 176.000 0.085 0.000 0.888 294 Q CA -0.251 55.609 55.803 0.095 0.000 0.938 294 Q CB 0.150 28.977 28.738 0.149 0.000 1.086 294 Q HN 0.621 nan 8.270 nan 0.000 0.543 295 I N 2.193 122.812 120.570 0.081 0.000 2.752 295 I HA -0.132 4.493 4.170 0.759 0.000 0.289 295 I C 0.988 177.122 176.117 0.028 0.000 1.197 295 I CA 0.863 62.192 61.300 0.049 0.000 1.432 295 I CB 0.463 38.457 38.000 -0.009 0.000 1.359 295 I HN 0.239 nan 8.210 nan 0.000 0.571 296 R N 4.047 124.562 120.500 0.026 0.000 2.469 296 R HA 0.258 5.054 4.340 0.759 0.000 0.250 296 R C 0.065 176.374 176.300 0.014 0.000 0.909 296 R CA -0.209 55.903 56.100 0.020 0.000 1.050 296 R CB 0.724 31.036 30.300 0.020 0.000 1.256 296 R HN 0.466 nan 8.270 nan 0.000 0.550 297 K N 1.046 121.451 120.400 0.009 0.000 2.525 297 K HA 0.414 5.189 4.320 0.759 0.000 0.254 297 K C -2.039 174.559 176.600 -0.003 0.000 0.934 297 K CA -0.645 55.643 56.287 0.002 0.000 0.802 297 K CB 1.865 34.362 32.500 -0.005 0.000 1.295 297 K HN -0.172 nan 8.250 nan 0.000 0.433 298 L N 2.858 124.078 121.223 -0.005 0.000 2.438 298 L HA 0.379 5.174 4.340 0.759 0.000 0.270 298 L C -1.425 175.442 176.870 -0.005 0.000 0.972 298 L CA -0.261 54.571 54.840 -0.014 0.000 0.831 298 L CB 1.988 44.031 42.059 -0.026 0.000 1.273 298 L HN 0.605 nan 8.230 nan 0.000 0.405 299 D N 4.388 124.788 120.400 0.001 0.000 2.736 299 D HA 0.258 5.354 4.640 0.759 0.000 0.293 299 D C 0.352 176.654 176.300 0.004 0.000 1.241 299 D CA -0.059 53.953 54.000 0.020 0.000 0.965 299 D CB 0.339 41.184 40.800 0.075 0.000 0.992 299 D HN 0.471 nan 8.370 nan 0.000 0.510 300 L N 1.982 123.187 121.223 -0.031 0.000 2.718 300 L HA 0.048 4.843 4.340 0.759 0.000 0.242 300 L C 1.886 178.706 176.870 -0.084 0.000 1.203 300 L CA -0.248 54.560 54.840 -0.053 0.000 1.011 300 L CB 0.048 42.063 42.059 -0.074 0.000 1.250 300 L HN 0.268 nan 8.230 nan 0.000 0.437 301 L N -0.336 120.774 121.223 -0.189 0.000 2.093 301 L HA -0.143 4.652 4.340 0.759 0.000 0.208 301 L C 1.394 177.917 176.870 -0.579 0.000 1.085 301 L CA 2.097 56.660 54.840 -0.462 0.000 0.755 301 L CB -0.486 41.100 42.059 -0.789 0.000 0.904 301 L HN 0.357 nan 8.230 nan 0.000 0.435 302 Y N -1.048 119.215 120.300 -0.062 0.000 2.636 302 Y HA 0.469 5.474 4.550 0.758 0.000 0.260 302 Y C 0.962 176.769 175.900 -0.154 0.000 1.177 302 Y CA -0.337 57.669 58.100 -0.157 0.000 1.209 302 Y CB -0.156 38.133 38.460 -0.287 0.000 1.166 302 Y HN 0.053 nan 8.280 nan 0.000 0.531 303 A N 0.442 123.263 122.820 0.001 0.000 2.351 303 A HA 0.412 5.187 4.320 0.759 0.000 0.257 303 A C 0.073 177.689 177.584 0.053 0.000 1.087 303 A CA -0.180 51.863 52.037 0.010 0.000 0.798 303 A CB 0.482 19.456 19.000 -0.044 0.000 1.033 303 A HN 0.317 nan 8.150 nan 0.000 0.488 304 L N 1.831 123.098 121.223 0.075 0.000 3.094 304 L HA 0.290 5.086 4.340 0.759 0.000 0.254 304 L C 0.004 176.918 176.870 0.074 0.000 1.298 304 L CA 0.487 55.388 54.840 0.102 0.000 1.050 304 L CB -0.678 41.467 42.059 0.143 0.000 1.420 304 L HN 0.666 nan 8.230 nan 0.000 0.548 305 L N -2.733 118.521 121.223 0.052 0.000 2.330 305 L HA 0.715 5.511 4.340 0.759 0.000 0.271 305 L C -0.358 176.606 176.870 0.156 0.000 1.013 305 L CA -0.668 54.199 54.840 0.046 0.000 0.816 305 L CB 1.894 43.922 42.059 -0.051 0.000 1.287 305 L HN 0.071 nan 8.230 nan 0.000 0.435 306 E N 0.196 120.491 120.200 0.158 0.000 2.254 306 E HA 0.158 4.963 4.350 0.759 0.000 0.261 306 E C 0.307 177.050 176.600 0.239 0.000 1.051 306 E CA -0.595 55.908 56.400 0.172 0.000 0.902 306 E CB 1.527 31.283 29.700 0.093 0.000 1.168 306 E HN 0.736 nan 8.360 nan 0.000 0.423 307 T N 0.003 114.619 114.554 0.105 0.000 2.721 307 T HA -0.272 4.533 4.350 0.759 0.000 0.268 307 T C 1.610 176.368 174.700 0.096 0.000 1.038 307 T CA 2.229 64.349 62.100 0.032 0.000 1.145 307 T CB -0.100 68.755 68.868 -0.022 0.000 0.858 307 T HN 0.546 nan 8.240 nan 0.000 0.459 308 E N -0.226 120.029 120.200 0.091 0.000 2.028 308 E HA -0.133 4.673 4.350 0.759 0.000 0.190 308 E C 1.936 178.592 176.600 0.094 0.000 0.984 308 E CA 1.371 57.816 56.400 0.076 0.000 0.800 308 E CB -0.074 29.659 29.700 0.055 0.000 0.758 308 E HN 0.522 nan 8.360 nan 0.000 0.448 309 D N 0.109 120.570 120.400 0.101 0.000 2.190 309 D HA -0.206 4.889 4.640 0.759 0.000 0.200 309 D C 1.826 178.159 176.300 0.054 0.000 0.992 309 D CA 1.016 55.057 54.000 0.070 0.000 0.854 309 D CB -0.440 40.386 40.800 0.043 0.000 0.936 309 D HN 0.423 nan 8.370 nan 0.000 0.462 310 H N 0.045 119.122 119.070 0.012 0.000 2.319 310 H HA -0.100 4.912 4.556 0.759 0.000 0.299 310 H C 2.434 177.763 175.328 0.002 0.000 1.092 310 H CA 1.304 57.355 56.048 0.005 0.000 1.302 310 H CB -0.147 29.619 29.762 0.006 0.000 1.373 310 H HN 0.251 nan 8.280 nan 0.000 0.497 311 C N 0.214 119.596 119.300 0.136 0.000 2.429 311 C HA -0.125 4.790 4.460 0.759 0.000 0.277 311 C C 3.123 178.112 174.990 -0.003 0.000 1.262 311 C CA 1.526 60.579 59.018 0.059 0.000 1.733 311 C CB -1.103 26.668 27.740 0.051 0.000 2.010 311 C HN 0.733 nan 8.230 nan 0.000 0.483 312 T N -0.906 113.657 114.554 0.014 0.000 2.962 312 T HA -0.089 4.717 4.350 0.759 0.000 0.270 312 T C 1.634 176.349 174.700 0.026 0.000 1.088 312 T CA 1.235 63.331 62.100 -0.007 0.000 1.127 312 T CB -0.310 68.575 68.868 0.028 0.000 0.883 312 T HN 0.575 nan 8.240 nan 0.000 0.493 313 L N -0.208 121.042 121.223 0.045 0.000 2.189 313 L HA 0.238 5.033 4.340 0.759 0.000 0.199 313 L C 2.597 179.457 176.870 -0.016 0.000 1.074 313 L CA 0.566 55.439 54.840 0.055 0.000 0.783 313 L CB -0.147 41.889 42.059 -0.038 0.000 0.955 313 L HN 0.170 nan 8.230 nan 0.000 0.460 314 I N -0.139 120.416 120.570 -0.025 0.000 2.185 314 I HA -0.370 4.255 4.170 0.759 0.000 0.246 314 I C 2.457 178.516 176.117 -0.096 0.000 1.088 314 I CA 1.414 62.700 61.300 -0.023 0.000 1.347 314 I CB -1.073 36.941 38.000 0.024 0.000 1.041 314 I HN 0.534 nan 8.210 nan 0.000 0.415 315 Q N 1.645 121.317 119.800 -0.213 0.000 2.248 315 Q HA -0.210 4.585 4.340 0.759 0.000 0.208 315 Q C 1.761 177.525 176.000 -0.393 0.000 0.984 315 Q CA 1.499 56.968 55.803 -0.556 0.000 0.875 315 Q CB 0.047 28.457 28.738 -0.548 0.000 0.910 315 Q HN 0.593 nan 8.270 nan 0.000 0.433 316 K N -1.286 119.014 120.400 -0.168 0.000 2.393 316 K HA 0.102 4.878 4.320 0.759 0.000 0.193 316 K C 0.418 176.995 176.600 -0.038 0.000 1.026 316 K CA 0.064 56.300 56.287 -0.085 0.000 1.064 316 K CB 0.676 33.178 32.500 0.003 0.000 0.833 316 K HN 0.087 nan 8.250 nan 0.000 0.521 317 C N 3.132 122.414 119.300 -0.029 0.000 2.566 317 C HA 0.237 5.152 4.460 0.759 0.000 0.300 317 C C -1.266 173.745 174.990 0.036 0.000 1.147 317 C CA -1.412 57.606 59.018 -0.001 0.000 1.644 317 C CB 0.362 28.094 27.740 -0.014 0.000 1.691 317 C HN 0.229 nan 8.230 nan 0.000 0.440 318 P HA -0.082 nan 4.420 nan 0.000 0.223 318 P C 0.720 178.056 177.300 0.060 0.000 1.151 318 P CA 1.446 64.596 63.100 0.083 0.000 0.787 318 P CB 0.334 32.083 31.700 0.082 0.000 0.788 319 N N -0.616 118.111 118.700 0.045 0.000 2.205 319 N HA 0.068 5.264 4.740 0.759 0.000 0.201 319 N C 0.566 176.097 175.510 0.035 0.000 1.128 319 N CA -0.321 52.752 53.050 0.038 0.000 0.867 319 N CB -0.001 38.507 38.487 0.034 0.000 0.996 319 N HN 0.133 nan 8.380 nan 0.000 0.503 320 L N 2.894 124.138 121.223 0.035 0.000 2.700 320 L HA -0.099 4.696 4.340 0.759 0.000 0.276 320 L C 1.356 178.248 176.870 0.037 0.000 1.200 320 L CA 0.741 55.599 54.840 0.031 0.000 0.951 320 L CB 0.395 42.473 42.059 0.031 0.000 1.226 320 L HN 0.253 nan 8.230 nan 0.000 0.489 321 E N 3.408 123.627 120.200 0.032 0.000 2.511 321 E HA 0.207 5.012 4.350 0.759 0.000 0.209 321 E C -0.534 176.088 176.600 0.035 0.000 0.986 321 E CA -0.194 56.227 56.400 0.036 0.000 0.974 321 E CB 0.534 30.253 29.700 0.031 0.000 1.030 321 E HN 0.355 nan 8.360 nan 0.000 0.490 322 V N 2.030 121.960 119.914 0.027 0.000 2.668 322 V HA 0.390 4.966 4.120 0.759 0.000 0.304 322 V C -1.354 174.756 176.094 0.026 0.000 1.071 322 V CA -0.962 61.353 62.300 0.025 0.000 0.894 322 V CB 1.910 33.733 31.823 -0.000 0.000 1.008 322 V HN 0.256 nan 8.190 nan 0.000 0.425 323 L N 4.059 125.307 121.223 0.042 0.000 2.410 323 L HA 0.759 5.554 4.340 0.759 0.000 0.270 323 L C -0.660 176.239 176.870 0.049 0.000 0.983 323 L CA 0.166 55.030 54.840 0.041 0.000 0.822 323 L CB 2.163 44.254 42.059 0.054 0.000 1.285 323 L HN 0.724 nan 8.230 nan 0.000 0.409 324 E N 3.262 123.481 120.200 0.031 0.000 2.218 324 E HA 0.613 5.418 4.350 0.759 0.000 0.263 324 E C -1.174 175.429 176.600 0.005 0.000 0.879 324 E CA -0.609 55.806 56.400 0.026 0.000 0.762 324 E CB 2.227 31.931 29.700 0.008 0.000 1.166 324 E HN 0.682 nan 8.360 nan 0.000 0.415 325 T N 1.280 115.844 114.554 0.016 0.000 2.739 325 T HA 0.366 5.171 4.350 0.759 0.000 0.303 325 T C -1.029 173.669 174.700 -0.003 0.000 1.389 325 T CA -0.714 61.399 62.100 0.022 0.000 1.001 325 T CB 1.212 70.158 68.868 0.130 0.000 1.436 325 T HN 0.341 nan 8.240 nan 0.000 0.500 326 R N 1.122 121.617 120.500 -0.008 0.000 2.580 326 R HA 0.319 5.114 4.340 0.759 0.000 0.267 326 R C 1.534 177.805 176.300 -0.049 0.000 1.125 326 R CA -0.058 56.017 56.100 -0.041 0.000 1.188 326 R CB 0.196 30.469 30.300 -0.045 0.000 1.155 326 R HN 0.854 nan 8.270 nan 0.000 0.586 327 N N -0.540 118.128 118.700 -0.053 0.000 2.571 327 N HA -0.088 5.108 4.740 0.759 0.000 0.189 327 N C 0.924 176.378 175.510 -0.093 0.000 1.154 327 N CA 0.027 53.047 53.050 -0.050 0.000 0.907 327 N CB 0.064 38.540 38.487 -0.017 0.000 0.977 327 N HN 0.146 nan 8.380 nan 0.000 0.449 328 V N 0.983 120.820 119.914 -0.128 0.000 2.594 328 V HA -0.211 4.365 4.120 0.759 0.000 0.253 328 V C 2.314 178.191 176.094 -0.362 0.000 1.069 328 V CA 0.992 63.185 62.300 -0.179 0.000 1.082 328 V CB -0.603 31.148 31.823 -0.120 0.000 0.680 328 V HN 0.367 nan 8.190 nan 0.000 0.469 329 I N 0.933 121.191 120.570 -0.519 0.000 2.227 329 I HA -0.144 4.481 4.170 0.759 0.000 0.250 329 I C 1.283 177.253 176.117 -0.245 0.000 1.087 329 I CA 1.517 62.486 61.300 -0.552 0.000 1.352 329 I CB -0.821 37.039 38.000 -0.234 0.000 1.043 329 I HN 0.497 nan 8.210 nan 0.000 0.425 330 G N -0.320 108.393 108.800 -0.145 0.000 2.785 330 G HA2 -0.270 4.146 3.960 0.759 0.000 0.685 330 G HA3 -0.270 4.146 3.960 0.759 0.000 0.685 330 G C 0.403 175.286 174.900 -0.028 0.000 1.480 330 G CA -0.031 45.027 45.100 -0.069 0.000 0.915 330 G HN 0.307 nan 8.290 nan 0.000 0.576 331 D N 0.143 120.539 120.400 -0.007 0.000 2.133 331 D HA -0.133 4.962 4.640 0.759 0.000 0.195 331 D C 2.386 178.696 176.300 0.016 0.000 0.997 331 D CA 1.553 55.559 54.000 0.011 0.000 0.840 331 D CB 0.004 40.813 40.800 0.015 0.000 0.947 331 D HN 0.565 nan 8.370 nan 0.000 0.452 332 R N 0.457 120.964 120.500 0.013 0.000 2.083 332 R HA -0.118 4.677 4.340 0.759 0.000 0.237 332 R C 2.376 178.697 176.300 0.034 0.000 1.137 332 R CA 1.866 57.980 56.100 0.024 0.000 0.951 332 R CB -0.565 29.748 30.300 0.022 0.000 0.851 332 R HN 0.158 nan 8.270 nan 0.000 0.434 333 G N 0.870 109.682 108.800 0.020 0.000 2.446 333 G HA2 -0.257 4.159 3.960 0.759 0.000 0.217 333 G HA3 -0.257 4.159 3.960 0.759 0.000 0.217 333 G C 1.443 176.375 174.900 0.054 0.000 1.168 333 G CA 0.918 46.040 45.100 0.037 0.000 0.771 333 G HN 0.272 nan 8.290 nan 0.000 0.551 334 L N 0.153 121.399 121.223 0.038 0.000 2.079 334 L HA -0.105 4.691 4.340 0.759 0.000 0.210 334 L C 2.896 179.803 176.870 0.060 0.000 1.081 334 L CA 1.375 56.245 54.840 0.051 0.000 0.752 334 L CB -0.360 41.724 42.059 0.042 0.000 0.896 334 L HN 0.307 nan 8.230 nan 0.000 0.433 335 E N -0.551 119.682 120.200 0.056 0.000 2.077 335 E HA -0.187 4.619 4.350 0.759 0.000 0.193 335 E C 2.251 178.906 176.600 0.091 0.000 0.989 335 E CA 1.368 57.803 56.400 0.057 0.000 0.800 335 E CB -0.069 29.659 29.700 0.047 0.000 0.746 335 E HN 0.305 nan 8.360 nan 0.000 0.452 336 V N 1.335 121.324 119.914 0.125 0.000 2.343 336 V HA -0.234 4.341 4.120 0.759 0.000 0.247 336 V C 2.264 178.519 176.094 0.267 0.000 1.051 336 V CA 1.318 63.752 62.300 0.224 0.000 1.036 336 V CB -0.375 31.535 31.823 0.145 0.000 0.654 336 V HN 0.230 nan 8.190 nan 0.000 0.451 337 L N 0.554 121.871 121.223 0.156 0.000 2.362 337 L HA 0.063 4.858 4.340 0.759 0.000 0.219 337 L C 2.276 179.209 176.870 0.106 0.000 1.134 337 L CA 1.746 56.667 54.840 0.135 0.000 0.807 337 L CB -0.661 41.457 42.059 0.097 0.000 0.927 337 L HN 0.215 nan 8.230 nan 0.000 0.447 338 A N -0.805 122.061 122.820 0.078 0.000 1.970 338 A HA -0.118 4.658 4.320 0.759 0.000 0.216 338 A C 2.049 179.618 177.584 -0.025 0.000 1.170 338 A CA 1.303 53.354 52.037 0.022 0.000 0.645 338 A CB -0.306 18.699 19.000 0.007 0.000 0.816 338 A HN 0.612 nan 8.150 nan 0.000 0.447 339 Q N -2.358 117.403 119.800 -0.064 0.000 2.171 339 Q HA 0.157 4.952 4.340 0.759 0.000 0.218 339 Q C 0.460 176.271 176.000 -0.315 0.000 0.822 339 Q CA 0.054 55.739 55.803 -0.198 0.000 0.987 339 Q CB -0.041 28.531 28.738 -0.276 0.000 1.144 339 Q HN 0.665 nan 8.270 nan 0.000 0.494 340 Y N 0.016 120.318 120.300 0.003 0.000 2.500 340 Y HA 0.216 5.221 4.550 0.759 0.000 0.284 340 Y C 0.946 176.851 175.900 0.008 0.000 1.118 340 Y CA 0.133 58.236 58.100 0.005 0.000 1.241 340 Y CB 1.006 39.471 38.460 0.009 0.000 1.171 340 Y HN 0.151 nan 8.280 nan 0.000 0.540 341 C N 2.344 121.737 119.300 0.156 0.000 2.242 341 C HA 0.346 5.262 4.460 0.759 0.000 0.317 341 C C 1.033 176.058 174.990 0.058 0.000 1.087 341 C CA -1.291 57.785 59.018 0.096 0.000 1.535 341 C CB 0.078 27.874 27.740 0.093 0.000 1.893 341 C HN 0.297 nan 8.230 nan 0.000 0.426 342 K N 0.920 121.343 120.400 0.038 0.000 2.314 342 K HA -0.003 4.772 4.320 0.759 0.000 0.198 342 K C 1.590 178.207 176.600 0.029 0.000 1.045 342 K CA 0.817 57.116 56.287 0.019 0.000 0.988 342 K CB 0.183 32.684 32.500 0.002 0.000 0.783 342 K HN 0.627 nan 8.250 nan 0.000 0.484 343 Q N 0.576 120.398 119.800 0.036 0.000 2.472 343 Q HA 0.035 4.831 4.340 0.759 0.000 0.208 343 Q C 0.647 176.674 176.000 0.044 0.000 0.958 343 Q CA -0.071 55.754 55.803 0.037 0.000 0.932 343 Q CB -0.531 28.228 28.738 0.035 0.000 1.007 343 Q HN 0.143 nan 8.270 nan 0.000 0.508 344 L N 2.104 123.357 121.223 0.050 0.000 2.615 344 L HA -0.154 4.642 4.340 0.759 0.000 0.284 344 L C 1.102 178.013 176.870 0.068 0.000 1.237 344 L CA 1.016 55.892 54.840 0.060 0.000 0.905 344 L CB 0.509 42.608 42.059 0.068 0.000 1.149 344 L HN -0.038 nan 8.230 nan 0.000 0.499 345 K N 4.183 124.626 120.400 0.073 0.000 2.462 345 K HA 0.272 5.047 4.320 0.759 0.000 0.201 345 K C -0.045 176.627 176.600 0.121 0.000 1.268 345 K CA 0.235 56.574 56.287 0.086 0.000 0.933 345 K CB 0.768 33.307 32.500 0.065 0.000 1.162 345 K HN 0.535 nan 8.250 nan 0.000 0.527 346 R N 0.868 121.435 120.500 0.112 0.000 2.575 346 R HA 0.486 5.282 4.340 0.759 0.000 0.293 346 R C -1.402 174.995 176.300 0.162 0.000 0.983 346 R CA -0.755 55.441 56.100 0.160 0.000 0.887 346 R CB 2.035 32.359 30.300 0.040 0.000 1.184 346 R HN -0.097 nan 8.270 nan 0.000 0.445 347 L N 1.661 123.033 121.223 0.248 0.000 2.470 347 L HA 0.553 5.349 4.340 0.759 0.000 0.268 347 L C -1.366 175.640 176.870 0.227 0.000 0.964 347 L CA -0.357 54.594 54.840 0.185 0.000 0.839 347 L CB 1.970 44.111 42.059 0.137 0.000 1.276 347 L HN 0.618 nan 8.230 nan 0.000 0.403 348 R N 5.825 126.432 120.500 0.178 0.000 2.575 348 R HA 0.658 5.453 4.340 0.759 0.000 0.293 348 R C -1.555 174.813 176.300 0.112 0.000 0.983 348 R CA -0.659 55.550 56.100 0.182 0.000 0.887 348 R CB 1.512 31.946 30.300 0.225 0.000 1.184 348 R HN 0.731 nan 8.270 nan 0.000 0.445 349 I N 3.700 124.335 120.570 0.108 0.000 2.621 349 I HA 0.259 4.884 4.170 0.759 0.000 0.276 349 I C 0.036 176.242 176.117 0.148 0.000 1.118 349 I CA -0.620 60.735 61.300 0.092 0.000 1.159 349 I CB 0.992 39.035 38.000 0.072 0.000 1.357 349 I HN 0.467 nan 8.210 nan 0.000 0.513 350 E N 4.131 124.384 120.200 0.088 0.000 2.398 350 E HA 0.106 4.911 4.350 0.759 0.000 0.263 350 E C 0.341 176.842 176.600 -0.165 0.000 1.046 350 E CA -0.304 56.106 56.400 0.016 0.000 0.908 350 E CB 1.415 31.086 29.700 -0.048 0.000 0.963 350 E HN 0.504 nan 8.360 nan 0.000 0.431 351 R N 1.014 121.191 120.500 -0.539 0.000 2.347 351 R HA 0.374 5.170 4.340 0.759 0.000 0.304 351 R C 0.523 176.674 176.300 -0.247 0.000 1.072 351 R CA -0.137 55.710 56.100 -0.422 0.000 0.980 351 R CB 0.606 30.511 30.300 -0.658 0.000 0.986 351 R HN 0.415 nan 8.270 nan 0.000 0.448 352 G N 1.918 110.635 108.800 -0.137 0.000 2.582 352 G HA2 0.381 4.796 3.960 0.759 0.000 0.232 352 G HA3 0.381 4.796 3.960 0.759 0.000 0.232 352 G C -0.604 174.259 174.900 -0.061 0.000 1.458 352 G CA -0.580 44.471 45.100 -0.082 0.000 1.062 352 G HN 0.852 nan 8.290 nan 0.000 0.566 353 A N 0.277 123.080 122.820 -0.028 0.000 2.655 353 A HA 0.343 5.119 4.320 0.759 0.000 0.297 353 A C 0.088 177.663 177.584 -0.017 0.000 1.461 353 A CA -0.139 51.889 52.037 -0.015 0.000 1.146 353 A CB -0.272 18.730 19.000 0.004 0.000 1.108 353 A HN 0.373 nan 8.150 nan 0.000 0.550 354 D N 2.538 122.924 120.400 -0.023 0.000 3.134 354 D HA 0.151 5.246 4.640 0.759 0.000 0.248 354 D C 0.787 177.082 176.300 -0.007 0.000 1.273 354 D CA 0.413 54.403 54.000 -0.017 0.000 0.904 354 D CB 0.476 41.262 40.800 -0.023 0.000 1.089 354 D HN 0.768 nan 8.370 nan 0.000 0.478 355 E N -0.526 119.672 120.200 -0.003 0.000 2.941 355 E HA 0.073 4.878 4.350 0.759 0.000 0.180 355 E C 0.182 176.783 176.600 0.003 0.000 1.130 355 E CA -0.293 56.107 56.400 0.001 0.000 1.243 355 E CB 0.281 29.983 29.700 0.004 0.000 1.582 355 E HN -0.057 nan 8.360 nan 0.000 0.499 356 Q N 1.948 121.752 119.800 0.005 0.000 2.664 356 Q HA 0.260 5.056 4.340 0.759 0.000 0.223 356 Q C 0.474 176.478 176.000 0.006 0.000 1.298 356 Q CA 0.542 56.349 55.803 0.007 0.000 0.965 356 Q CB 0.150 28.894 28.738 0.010 0.000 1.510 356 Q HN 0.503 nan 8.270 nan 0.000 0.567 357 G N 1.951 110.754 108.800 0.004 0.000 2.591 357 G HA2 -0.302 4.113 3.960 0.759 0.000 0.278 357 G HA3 -0.302 4.113 3.960 0.759 0.000 0.278 357 G C 0.287 175.188 174.900 0.001 0.000 1.293 357 G CA -0.247 44.855 45.100 0.003 0.000 0.930 357 G HN 0.433 nan 8.290 nan 0.000 0.562 358 M N 0.033 119.634 119.600 0.000 0.000 1.917 358 M HA 0.262 5.197 4.480 0.759 0.000 0.208 358 M C 1.908 178.208 176.300 0.000 0.000 1.215 358 M CA 0.314 55.612 55.300 -0.003 0.000 0.944 358 M CB -0.505 32.091 32.600 -0.006 0.000 1.225 358 M HN 0.720 nan 8.290 nan 0.000 0.519 359 E N 0.070 120.269 120.200 -0.002 0.000 2.435 359 E HA -0.066 4.740 4.350 0.759 0.000 0.195 359 E C -0.670 175.937 176.600 0.012 0.000 1.029 359 E CA 0.522 56.927 56.400 0.008 0.000 0.865 359 E CB 0.220 29.926 29.700 0.011 0.000 0.833 359 E HN 0.599 nan 8.360 nan 0.000 0.510 360 D N -1.127 119.276 120.400 0.005 0.000 2.946 360 D HA 0.025 5.120 4.640 0.759 0.000 0.337 360 D C 0.026 176.328 176.300 0.004 0.000 1.332 360 D CA -0.633 53.372 54.000 0.008 0.000 0.935 360 D CB 0.006 40.813 40.800 0.012 0.000 1.440 360 D HN -0.237 nan 8.370 nan 0.000 0.540 361 E N -0.895 119.308 120.200 0.006 0.000 2.463 361 E HA 0.145 4.951 4.350 0.759 0.000 0.193 361 E C 0.113 176.715 176.600 0.003 0.000 1.041 361 E CA 0.433 56.836 56.400 0.005 0.000 0.879 361 E CB 0.189 29.893 29.700 0.007 0.000 0.997 361 E HN 0.466 nan 8.360 nan 0.000 0.478 362 E N -1.587 118.613 120.200 -0.001 0.000 2.562 362 E HA 0.171 4.976 4.350 0.759 0.000 0.214 362 E C 0.923 177.512 176.600 -0.018 0.000 0.979 362 E CA 0.210 56.607 56.400 -0.005 0.000 1.002 362 E CB 0.972 30.671 29.700 -0.002 0.000 1.048 362 E HN 0.127 nan 8.360 nan 0.000 0.488 363 G N 1.718 110.505 108.800 -0.021 0.000 3.375 363 G HA2 0.245 4.660 3.960 0.759 0.000 0.247 363 G HA3 0.245 4.660 3.960 0.759 0.000 0.247 363 G C -0.152 174.732 174.900 -0.026 0.000 1.343 363 G CA 0.104 45.182 45.100 -0.036 0.000 1.368 363 G HN -0.090 nan 8.290 nan 0.000 0.549 364 L N 0.064 121.278 121.223 -0.016 0.000 2.354 364 L HA 0.616 5.411 4.340 0.759 0.000 0.269 364 L C 0.009 176.878 176.870 -0.003 0.000 1.005 364 L CA -1.239 53.598 54.840 -0.005 0.000 0.819 364 L CB 2.231 44.291 42.059 0.001 0.000 1.311 364 L HN -0.004 nan 8.230 nan 0.000 0.423 365 V N -0.741 119.177 119.914 0.007 0.000 2.628 365 V HA 1.032 5.607 4.120 0.759 0.000 0.306 365 V C -0.098 176.010 176.094 0.024 0.000 1.045 365 V CA -0.428 61.881 62.300 0.015 0.000 0.905 365 V CB 1.373 33.207 31.823 0.019 0.000 0.997 365 V HN 0.916 nan 8.190 nan 0.000 0.436 366 S N 1.929 117.647 115.700 0.029 0.000 2.688 366 S HA 0.416 5.341 4.470 0.759 0.000 0.275 366 S C 0.468 175.095 174.600 0.044 0.000 1.175 366 S CA -0.336 57.884 58.200 0.034 0.000 0.818 366 S CB 1.691 64.907 63.200 0.027 0.000 1.157 366 S HN 0.693 nan 8.310 nan 0.000 0.482 367 Q N 0.847 120.676 119.800 0.047 0.000 2.224 367 Q HA -0.192 4.603 4.340 0.759 0.000 0.213 367 Q C 1.990 178.021 176.000 0.052 0.000 0.998 367 Q CA 2.361 58.197 55.803 0.055 0.000 0.895 367 Q CB -0.531 28.236 28.738 0.049 0.000 0.926 367 Q HN 0.711 nan 8.270 nan 0.000 0.417 368 R N 0.164 120.689 120.500 0.042 0.000 2.082 368 R HA -0.128 4.668 4.340 0.759 0.000 0.234 368 R C 2.363 178.687 176.300 0.041 0.000 1.136 368 R CA 1.773 57.896 56.100 0.038 0.000 0.935 368 R CB -0.793 29.525 30.300 0.030 0.000 0.842 368 R HN 0.421 nan 8.270 nan 0.000 0.430 369 G N 0.764 109.588 108.800 0.040 0.000 2.402 369 G HA2 -0.210 4.205 3.960 0.759 0.000 0.216 369 G HA3 -0.210 4.205 3.960 0.759 0.000 0.216 369 G C 1.497 176.430 174.900 0.055 0.000 1.162 369 G CA 0.629 45.754 45.100 0.042 0.000 0.777 369 G HN 0.228 nan 8.290 nan 0.000 0.539 370 L N 0.001 121.264 121.223 0.066 0.000 1.956 370 L HA -0.111 4.684 4.340 0.759 0.000 0.216 370 L C 2.721 179.645 176.870 0.091 0.000 1.073 370 L CA 1.421 56.315 54.840 0.089 0.000 0.762 370 L CB -0.337 41.784 42.059 0.104 0.000 0.889 370 L HN 0.235 nan 8.230 nan 0.000 0.433 371 I N -0.734 119.885 120.570 0.083 0.000 2.614 371 I HA -0.248 4.377 4.170 0.759 0.000 0.258 371 I C 2.472 178.631 176.117 0.069 0.000 1.189 371 I CA 1.039 62.393 61.300 0.090 0.000 1.462 371 I CB 0.006 38.056 38.000 0.084 0.000 1.092 371 I HN 0.237 nan 8.210 nan 0.000 0.442 372 A N 0.396 123.245 122.820 0.049 0.000 1.930 372 A HA -0.191 4.585 4.320 0.759 0.000 0.217 372 A C 2.141 179.733 177.584 0.013 0.000 1.175 372 A CA 1.570 53.621 52.037 0.024 0.000 0.627 372 A CB -0.716 18.300 19.000 0.027 0.000 0.815 372 A HN 0.490 nan 8.150 nan 0.000 0.443 373 L N -0.395 120.852 121.223 0.039 0.000 2.072 373 L HA 0.114 4.909 4.340 0.759 0.000 0.205 373 L C 2.593 179.487 176.870 0.039 0.000 1.079 373 L CA 1.974 56.840 54.840 0.043 0.000 0.752 373 L CB -0.765 41.336 42.059 0.070 0.000 0.906 373 L HN 0.300 nan 8.230 nan 0.000 0.436 374 A N -0.964 121.898 122.820 0.071 0.000 2.032 374 A HA -0.263 4.512 4.320 0.759 0.000 0.221 374 A C 2.153 179.737 177.584 0.001 0.000 1.165 374 A CA 2.066 54.169 52.037 0.111 0.000 0.645 374 A CB -0.491 18.624 19.000 0.192 0.000 0.807 374 A HN 0.715 nan 8.150 nan 0.000 0.453 375 Q N -1.255 118.458 119.800 -0.145 0.000 2.204 375 Q HA 0.057 4.852 4.340 0.759 0.000 0.198 375 Q C 2.258 178.081 176.000 -0.294 0.000 0.946 375 Q CA 0.692 56.212 55.803 -0.472 0.000 0.859 375 Q CB -0.228 28.285 28.738 -0.376 0.000 0.946 375 Q HN 0.627 nan 8.270 nan 0.000 0.474 376 G N 1.015 109.732 108.800 -0.139 0.000 2.454 376 G HA2 -0.161 4.255 3.960 0.759 0.000 0.214 376 G HA3 -0.161 4.255 3.960 0.759 0.000 0.214 376 G C 0.450 175.315 174.900 -0.058 0.000 1.217 376 G CA 0.552 45.598 45.100 -0.090 0.000 0.799 376 G HN 0.394 nan 8.290 nan 0.000 0.538 377 C N 1.226 120.517 119.300 -0.015 0.000 2.146 377 C HA 0.530 5.445 4.460 0.759 0.000 0.338 377 C C 0.918 175.926 174.990 0.031 0.000 1.074 377 C CA -0.742 58.286 59.018 0.016 0.000 1.527 377 C CB -0.252 27.515 27.740 0.045 0.000 1.915 377 C HN 0.516 nan 8.230 nan 0.000 0.453 378 Q N 0.173 119.985 119.800 0.020 0.000 2.246 378 Q HA 0.052 4.847 4.340 0.759 0.000 0.202 378 Q C 1.302 177.339 176.000 0.062 0.000 0.883 378 Q CA 0.386 56.218 55.803 0.049 0.000 0.952 378 Q CB 0.390 29.153 28.738 0.042 0.000 1.078 378 Q HN 0.751 nan 8.270 nan 0.000 0.493 379 E N 0.193 120.427 120.200 0.057 0.000 2.474 379 E HA 0.091 4.897 4.350 0.759 0.000 0.195 379 E C -0.071 176.577 176.600 0.079 0.000 1.039 379 E CA -0.142 56.295 56.400 0.061 0.000 0.881 379 E CB 0.519 30.248 29.700 0.049 0.000 0.970 379 E HN 0.344 nan 8.360 nan 0.000 0.486 380 L N 1.777 123.056 121.223 0.093 0.000 2.578 380 L HA -0.096 4.700 4.340 0.759 0.000 0.279 380 L C 1.144 178.095 176.870 0.135 0.000 1.227 380 L CA 0.946 55.858 54.840 0.121 0.000 0.900 380 L CB 0.272 42.413 42.059 0.135 0.000 1.144 380 L HN 0.145 nan 8.230 nan 0.000 0.496 381 E N 2.406 122.702 120.200 0.159 0.000 2.453 381 E HA 0.044 4.849 4.350 0.759 0.000 0.211 381 E C -0.904 175.847 176.600 0.252 0.000 0.897 381 E CA 0.001 56.505 56.400 0.173 0.000 1.063 381 E CB 0.927 30.712 29.700 0.143 0.000 1.080 381 E HN 0.486 nan 8.360 nan 0.000 0.512 382 Y N 1.215 121.582 120.300 0.112 0.000 2.386 382 Y HA 0.496 5.500 4.550 0.757 0.000 0.334 382 Y C -1.508 174.461 175.900 0.114 0.000 1.002 382 Y CA -0.916 57.255 58.100 0.119 0.000 1.068 382 Y CB 1.341 39.852 38.460 0.086 0.000 1.203 382 Y HN -0.196 nan 8.280 nan 0.000 0.443 383 M N 6.147 125.678 119.600 -0.116 0.000 2.213 383 M HA 0.828 5.763 4.480 0.759 0.000 0.286 383 M C -2.005 174.073 176.300 -0.370 0.000 1.008 383 M CA -0.540 54.716 55.300 -0.074 0.000 0.937 383 M CB 1.458 34.131 32.600 0.121 0.000 1.600 383 M HN 0.871 nan 8.290 nan 0.000 0.450 384 A N 4.693 127.359 122.820 -0.258 0.000 2.381 384 A HA 0.813 5.588 4.320 0.759 0.000 0.299 384 A C -1.755 175.747 177.584 -0.137 0.000 1.049 384 A CA -0.545 51.312 52.037 -0.299 0.000 0.715 384 A CB 1.682 20.546 19.000 -0.226 0.000 1.222 384 A HN 0.597 nan 8.150 nan 0.000 0.428 385 V N 2.568 122.350 119.914 -0.220 0.000 2.733 385 V HA 0.317 4.892 4.120 0.759 0.000 0.306 385 V C -1.596 174.410 176.094 -0.146 0.000 1.084 385 V CA -0.427 61.812 62.300 -0.102 0.000 0.905 385 V CB 1.887 33.659 31.823 -0.084 0.000 1.010 385 V HN 0.809 nan 8.190 nan 0.000 0.424 386 Y N 3.456 123.713 120.300 -0.071 0.000 2.518 386 Y HA 0.539 5.544 4.550 0.759 0.000 0.344 386 Y C 0.248 176.119 175.900 -0.049 0.000 0.982 386 Y CA -0.073 57.987 58.100 -0.068 0.000 1.234 386 Y CB 1.702 40.128 38.460 -0.057 0.000 1.114 386 Y HN 0.447 nan 8.280 nan 0.000 0.515 387 V N 2.561 122.505 119.914 0.049 0.000 2.834 387 V HA 0.303 4.879 4.120 0.759 0.000 0.313 387 V C 0.403 176.519 176.094 0.036 0.000 1.060 387 V CA -0.074 62.247 62.300 0.035 0.000 0.989 387 V CB 2.094 33.924 31.823 0.012 0.000 1.041 387 V HN 0.830 nan 8.190 nan 0.000 0.459 388 S N 2.749 118.467 115.700 0.029 0.000 2.540 388 S HA 0.280 5.205 4.470 0.759 0.000 0.218 388 S C -0.331 174.279 174.600 0.015 0.000 0.977 388 S CA -0.021 58.193 58.200 0.023 0.000 0.918 388 S CB -0.018 63.193 63.200 0.018 0.000 0.806 388 S HN 0.866 nan 8.310 nan 0.000 0.496 389 D N 0.318 120.728 120.400 0.017 0.000 2.625 389 D HA 0.340 5.436 4.640 0.759 0.000 0.203 389 D C -1.577 174.739 176.300 0.026 0.000 1.230 389 D CA -0.504 53.506 54.000 0.017 0.000 0.784 389 D CB 0.547 41.357 40.800 0.016 0.000 1.936 389 D HN 0.018 nan 8.370 nan 0.000 0.522 390 I N 0.083 120.670 120.570 0.029 0.000 3.294 390 I HA 0.885 5.511 4.170 0.759 0.000 0.311 390 I C -0.220 175.927 176.117 0.050 0.000 1.111 390 I CA -0.850 60.478 61.300 0.047 0.000 0.976 390 I CB 1.858 39.895 38.000 0.062 0.000 1.260 390 I HN 0.256 nan 8.210 nan 0.000 0.474 391 T N -0.183 114.409 114.554 0.064 0.000 2.993 391 T HA 0.350 5.156 4.350 0.759 0.000 0.312 391 T C 0.417 175.159 174.700 0.071 0.000 1.115 391 T CA -0.555 61.580 62.100 0.059 0.000 1.027 391 T CB 0.913 69.810 68.868 0.048 0.000 1.116 391 T HN 0.679 nan 8.240 nan 0.000 0.464 392 N N 2.028 120.769 118.700 0.068 0.000 2.133 392 N HA -0.187 5.009 4.740 0.759 0.000 0.193 392 N C 1.537 177.074 175.510 0.045 0.000 1.012 392 N CA 1.644 54.734 53.050 0.066 0.000 0.871 392 N CB 0.049 38.568 38.487 0.053 0.000 1.011 392 N HN 0.777 nan 8.380 nan 0.000 0.435 393 E N 0.938 121.160 120.200 0.038 0.000 2.110 393 E HA -0.156 4.649 4.350 0.759 0.000 0.193 393 E C 1.987 178.608 176.600 0.035 0.000 0.988 393 E CA 1.433 57.849 56.400 0.027 0.000 0.804 393 E CB 0.103 29.820 29.700 0.028 0.000 0.745 393 E HN 0.405 nan 8.360 nan 0.000 0.458 394 S N 0.947 116.680 115.700 0.055 0.000 2.356 394 S HA -0.154 4.771 4.470 0.759 0.000 0.223 394 S C 2.191 176.832 174.600 0.068 0.000 1.032 394 S CA 1.044 59.287 58.200 0.071 0.000 1.005 394 S CB -0.742 62.510 63.200 0.087 0.000 0.867 394 S HN 0.297 nan 8.310 nan 0.000 0.449 395 L N 1.381 122.645 121.223 0.069 0.000 2.079 395 L HA -0.125 4.670 4.340 0.759 0.000 0.210 395 L C 2.879 179.732 176.870 -0.030 0.000 1.081 395 L CA 1.777 56.638 54.840 0.036 0.000 0.752 395 L CB -0.834 41.266 42.059 0.068 0.000 0.896 395 L HN 0.401 nan 8.230 nan 0.000 0.433 396 E N 0.182 120.365 120.200 -0.030 0.000 2.153 396 E HA -0.179 4.626 4.350 0.759 0.000 0.194 396 E C 2.270 178.816 176.600 -0.090 0.000 0.988 396 E CA 1.589 57.945 56.400 -0.074 0.000 0.811 396 E CB -0.045 29.616 29.700 -0.065 0.000 0.746 396 E HN 0.569 nan 8.360 nan 0.000 0.466 397 S N 0.357 116.033 115.700 -0.039 0.000 2.470 397 S HA -0.025 4.900 4.470 0.759 0.000 0.225 397 S C 1.948 176.564 174.600 0.027 0.000 1.006 397 S CA 0.125 58.312 58.200 -0.021 0.000 0.934 397 S CB -0.014 63.247 63.200 0.101 0.000 0.778 397 S HN 0.062 nan 8.310 nan 0.000 0.517 398 I N 3.013 123.592 120.570 0.015 0.000 2.090 398 I HA -0.076 4.549 4.170 0.759 0.000 0.236 398 I C 2.669 178.756 176.117 -0.050 0.000 1.064 398 I CA 1.801 63.104 61.300 0.005 0.000 1.324 398 I CB -1.951 36.005 38.000 -0.073 0.000 1.044 398 I HN 0.482 nan 8.210 nan 0.000 0.399 399 G N -0.977 107.752 108.800 -0.119 0.000 2.916 399 G HA2 -0.118 4.297 3.960 0.759 0.000 0.205 399 G HA3 -0.118 4.297 3.960 0.759 0.000 0.205 399 G C 1.505 176.322 174.900 -0.138 0.000 1.163 399 G CA 0.899 45.917 45.100 -0.137 0.000 0.821 399 G HN 0.353 nan 8.290 nan 0.000 0.515 400 T N -1.762 112.697 114.554 -0.158 0.000 3.038 400 T HA 0.215 5.020 4.350 0.759 0.000 0.244 400 T C 1.557 176.078 174.700 -0.298 0.000 1.016 400 T CA 0.308 62.237 62.100 -0.284 0.000 1.098 400 T CB 0.171 68.781 68.868 -0.431 0.000 0.954 400 T HN 0.379 nan 8.240 nan 0.000 0.469 401 Y N 0.584 120.872 120.300 -0.020 0.000 2.576 401 Y HA 0.369 5.375 4.550 0.759 0.000 0.282 401 Y C 0.276 176.177 175.900 0.002 0.000 1.139 401 Y CA -0.490 57.607 58.100 -0.006 0.000 1.265 401 Y CB 0.419 38.880 38.460 0.003 0.000 1.376 401 Y HN 0.013 nan 8.280 nan 0.000 0.511 402 L N 0.735 122.062 121.223 0.174 0.000 2.358 402 L HA 0.414 5.209 4.340 0.759 0.000 0.274 402 L C 0.464 177.376 176.870 0.070 0.000 1.136 402 L CA -0.257 54.651 54.840 0.114 0.000 0.970 402 L CB 0.287 42.416 42.059 0.117 0.000 1.314 402 L HN -0.161 nan 8.230 nan 0.000 0.427 403 K N 2.143 122.578 120.400 0.058 0.000 2.062 403 K HA -0.035 4.740 4.320 0.759 0.000 0.205 403 K C 0.965 177.588 176.600 0.039 0.000 1.051 403 K CA 1.195 57.500 56.287 0.030 0.000 0.941 403 K CB -0.137 32.377 32.500 0.023 0.000 0.719 403 K HN 0.808 nan 8.250 nan 0.000 0.440 404 N N 0.883 119.616 118.700 0.055 0.000 2.623 404 N HA 0.014 5.210 4.740 0.759 0.000 0.263 404 N C -0.508 175.055 175.510 0.087 0.000 1.218 404 N CA 0.035 53.123 53.050 0.064 0.000 0.949 404 N CB -0.420 38.103 38.487 0.060 0.000 1.270 404 N HN 0.053 nan 8.380 nan 0.000 0.507 405 L N -0.059 121.219 121.223 0.092 0.000 2.418 405 L HA 0.050 4.845 4.340 0.759 0.000 0.274 405 L C 0.452 177.403 176.870 0.134 0.000 1.135 405 L CA -0.321 54.596 54.840 0.128 0.000 0.870 405 L CB 0.622 42.758 42.059 0.127 0.000 1.154 405 L HN 0.405 nan 8.230 nan 0.000 0.462 406 C N 2.097 121.496 119.300 0.165 0.000 2.535 406 C HA 0.178 5.094 4.460 0.759 0.000 0.310 406 C C 0.616 175.738 174.990 0.219 0.000 1.344 406 C CA -0.064 59.057 59.018 0.172 0.000 1.831 406 C CB 0.029 27.867 27.740 0.163 0.000 2.284 406 C HN 0.725 nan 8.230 nan 0.000 0.523 407 D N -0.137 120.400 120.400 0.228 0.000 2.549 407 D HA 0.371 5.466 4.640 0.759 0.000 0.251 407 D C -1.637 174.721 176.300 0.096 0.000 1.153 407 D CA -0.107 54.011 54.000 0.196 0.000 0.861 407 D CB 1.044 41.978 40.800 0.224 0.000 1.207 407 D HN 0.205 nan 8.370 nan 0.000 0.543 408 F N 4.127 124.104 119.950 0.044 0.000 2.507 408 F HA 0.501 5.482 4.527 0.758 0.000 0.328 408 F C -0.913 174.851 175.800 -0.060 0.000 1.136 408 F CA -0.613 57.390 58.000 0.006 0.000 0.930 408 F CB 0.987 40.081 39.000 0.157 0.000 1.166 408 F HN 0.155 nan 8.300 nan 0.000 0.436 409 R N 6.957 126.955 120.500 -0.836 0.000 2.532 409 R HA 0.637 5.433 4.340 0.759 0.000 0.297 409 R C -1.983 173.823 176.300 -0.823 0.000 0.984 409 R CA -1.060 54.642 56.100 -0.664 0.000 0.884 409 R CB 2.441 32.537 30.300 -0.339 0.000 1.182 409 R HN 0.550 nan 8.270 nan 0.000 0.442 410 L N 3.828 124.690 121.223 -0.602 0.000 2.409 410 L HA 0.612 5.407 4.340 0.759 0.000 0.272 410 L C -1.485 175.153 176.870 -0.387 0.000 0.980 410 L CA -0.774 53.803 54.840 -0.437 0.000 0.826 410 L CB 2.204 44.166 42.059 -0.161 0.000 1.268 410 L HN 0.436 nan 8.230 nan 0.000 0.407 411 V N 5.601 125.274 119.914 -0.402 0.000 2.686 411 V HA 0.412 4.987 4.120 0.759 0.000 0.306 411 V C -0.496 175.485 176.094 -0.187 0.000 1.065 411 V CA -0.759 61.333 62.300 -0.347 0.000 0.894 411 V CB 2.238 33.652 31.823 -0.683 0.000 1.004 411 V HN 0.665 nan 8.190 nan 0.000 0.424 412 L N 4.318 125.497 121.223 -0.073 0.000 2.307 412 L HA 0.725 5.520 4.340 0.759 0.000 0.284 412 L C -0.683 176.217 176.870 0.049 0.000 1.023 412 L CA -0.272 54.560 54.840 -0.013 0.000 0.810 412 L CB 1.038 43.073 42.059 -0.039 0.000 1.231 412 L HN 0.297 nan 8.230 nan 0.000 0.423 413 L N 3.401 124.660 121.223 0.061 0.000 2.416 413 L HA 0.180 4.976 4.340 0.759 0.000 0.272 413 L C 0.979 177.870 176.870 0.034 0.000 1.161 413 L CA 0.489 55.369 54.840 0.066 0.000 0.845 413 L CB 0.184 42.278 42.059 0.058 0.000 1.119 413 L HN 0.716 nan 8.230 nan 0.000 0.464 414 D N 1.584 122.003 120.400 0.032 0.000 2.378 414 D HA -0.100 4.996 4.640 0.759 0.000 0.227 414 D C 1.869 178.166 176.300 -0.005 0.000 1.012 414 D CA 0.283 54.282 54.000 -0.002 0.000 0.905 414 D CB 0.157 40.951 40.800 -0.009 0.000 0.895 414 D HN 0.363 nan 8.370 nan 0.000 0.532 415 R N 1.329 121.832 120.500 0.006 0.000 2.094 415 R HA -0.123 4.672 4.340 0.759 0.000 0.239 415 R C 0.499 176.797 176.300 -0.003 0.000 1.137 415 R CA 1.166 57.267 56.100 0.002 0.000 0.943 415 R CB -0.268 30.035 30.300 0.006 0.000 0.850 415 R HN 0.021 nan 8.270 nan 0.000 0.433 416 E N 0.935 121.133 120.200 -0.002 0.000 2.398 416 E HA -0.046 4.759 4.350 0.759 0.000 0.263 416 E C 0.806 177.399 176.600 -0.012 0.000 1.046 416 E CA 0.058 56.455 56.400 -0.005 0.000 0.908 416 E CB 0.748 30.447 29.700 -0.001 0.000 0.963 416 E HN 0.298 nan 8.360 nan 0.000 0.431 417 E N 2.240 122.434 120.200 -0.011 0.000 2.022 417 E HA -0.014 4.792 4.350 0.759 0.000 0.190 417 E C 0.247 176.837 176.600 -0.017 0.000 0.973 417 E CA 0.947 57.337 56.400 -0.015 0.000 0.816 417 E CB 0.047 29.740 29.700 -0.012 0.000 0.781 417 E HN 0.359 nan 8.360 nan 0.000 0.456 418 R N 0.693 121.186 120.500 -0.011 0.000 2.346 418 R HA 0.500 5.296 4.340 0.759 0.000 0.311 418 R C -0.527 175.770 176.300 -0.005 0.000 0.983 418 R CA -0.579 55.516 56.100 -0.009 0.000 0.880 418 R CB 1.090 31.387 30.300 -0.005 0.000 1.100 418 R HN -0.049 nan 8.270 nan 0.000 0.453 419 I N 2.330 122.898 120.570 -0.005 0.000 2.336 419 I HA 0.121 4.747 4.170 0.759 0.000 0.292 419 I C 1.093 177.214 176.117 0.008 0.000 0.991 419 I CA 0.204 61.505 61.300 0.002 0.000 1.227 419 I CB 1.678 39.678 38.000 -0.001 0.000 1.366 419 I HN 0.727 nan 8.210 nan 0.000 0.466 420 T N 3.724 118.285 114.554 0.012 0.000 1.809 420 T HA -0.291 4.515 4.350 0.759 0.000 0.124 420 T C 0.200 174.910 174.700 0.018 0.000 1.995 420 T CA 1.964 64.074 62.100 0.016 0.000 0.991 420 T CB -0.626 68.255 68.868 0.021 0.000 0.854 420 T HN 0.828 nan 8.240 nan 0.000 0.377 421 D N 1.087 121.501 120.400 0.024 0.000 2.198 421 D HA 0.437 5.532 4.640 0.759 0.000 0.245 421 D C 0.560 176.880 176.300 0.033 0.000 1.079 421 D CA -0.684 53.333 54.000 0.028 0.000 0.854 421 D CB 0.822 41.641 40.800 0.032 0.000 1.148 421 D HN 0.110 nan 8.370 nan 0.000 0.456 422 L N 2.521 123.762 121.223 0.030 0.000 2.265 422 L HA 0.344 5.140 4.340 0.759 0.000 0.195 422 L C -1.856 175.044 176.870 0.050 0.000 1.083 422 L CA 0.164 55.022 54.840 0.030 0.000 0.798 422 L CB -1.361 40.706 42.059 0.013 0.000 0.989 422 L HN 0.446 nan 8.230 nan 0.000 0.472 423 P HA 0.059 nan 4.420 nan 0.000 0.266 423 P C 0.202 177.563 177.300 0.101 0.000 1.215 423 P CA 0.837 63.980 63.100 0.073 0.000 0.763 423 P CB 0.251 31.986 31.700 0.059 0.000 0.806 424 L N 2.127 123.437 121.223 0.146 0.000 2.700 424 L HA 0.068 4.863 4.340 0.759 0.000 0.234 424 L C 1.182 178.170 176.870 0.197 0.000 1.156 424 L CA 0.057 55.007 54.840 0.183 0.000 0.946 424 L CB -0.258 41.962 42.059 0.269 0.000 1.216 424 L HN 0.241 nan 8.230 nan 0.000 0.493 425 D N 0.840 121.356 120.400 0.194 0.000 2.170 425 D HA -0.236 4.859 4.640 0.759 0.000 0.193 425 D C 1.509 177.980 176.300 0.285 0.000 1.004 425 D CA 1.494 55.655 54.000 0.269 0.000 0.860 425 D CB -0.133 40.810 40.800 0.238 0.000 0.931 425 D HN 0.366 nan 8.370 nan 0.000 0.448 426 N N 0.019 118.817 118.700 0.164 0.000 2.424 426 N HA 0.002 5.197 4.740 0.759 0.000 0.178 426 N C 1.892 177.387 175.510 -0.025 0.000 1.060 426 N CA 0.770 53.846 53.050 0.042 0.000 0.901 426 N CB 0.127 38.637 38.487 0.037 0.000 0.979 426 N HN 0.237 nan 8.380 nan 0.000 0.451 427 G N 1.351 110.169 108.800 0.031 0.000 2.404 427 G HA2 -0.116 4.299 3.960 0.759 0.000 0.213 427 G HA3 -0.116 4.299 3.960 0.759 0.000 0.213 427 G C 1.677 176.564 174.900 -0.021 0.000 1.189 427 G CA 0.364 45.473 45.100 0.015 0.000 0.796 427 G HN 0.082 nan 8.290 nan 0.000 0.532 428 V N 1.150 121.078 119.914 0.024 0.000 2.277 428 V HA -0.293 4.283 4.120 0.759 0.000 0.253 428 V C 2.824 178.821 176.094 -0.162 0.000 1.067 428 V CA 2.447 64.697 62.300 -0.083 0.000 1.047 428 V CB -0.551 31.225 31.823 -0.078 0.000 0.649 428 V HN 0.401 nan 8.190 nan 0.000 0.447 429 R N 0.494 120.896 120.500 -0.164 0.000 2.083 429 R HA -0.183 4.613 4.340 0.759 0.000 0.237 429 R C 2.521 178.576 176.300 -0.408 0.000 1.137 429 R CA 2.181 58.065 56.100 -0.359 0.000 0.951 429 R CB -0.363 29.566 30.300 -0.618 0.000 0.851 429 R HN 0.710 nan 8.270 nan 0.000 0.434 430 S N 0.713 116.230 115.700 -0.306 0.000 2.428 430 S HA -0.107 4.818 4.470 0.759 0.000 0.230 430 S C 1.951 176.404 174.600 -0.246 0.000 1.014 430 S CA 0.639 58.669 58.200 -0.283 0.000 0.957 430 S CB -0.306 62.766 63.200 -0.214 0.000 0.784 430 S HN 0.303 nan 8.310 nan 0.000 0.499 431 L N 2.245 123.332 121.223 -0.227 0.000 1.976 431 L HA 0.142 4.938 4.340 0.759 0.000 0.209 431 L C 2.126 178.841 176.870 -0.258 0.000 1.071 431 L CA 1.655 56.352 54.840 -0.239 0.000 0.746 431 L CB -1.222 40.683 42.059 -0.257 0.000 0.890 431 L HN 0.346 nan 8.230 nan 0.000 0.432 432 L N -0.844 120.205 121.223 -0.290 0.000 2.261 432 L HA -0.214 4.581 4.340 0.759 0.000 0.216 432 L C 2.435 179.184 176.870 -0.202 0.000 1.114 432 L CA 1.150 55.826 54.840 -0.273 0.000 0.777 432 L CB -0.412 41.477 42.059 -0.283 0.000 0.910 432 L HN 0.350 nan 8.230 nan 0.000 0.440 433 I N -1.088 119.330 120.570 -0.253 0.000 2.703 433 I HA -0.037 4.588 4.170 0.759 0.000 0.259 433 I C 2.447 178.462 176.117 -0.171 0.000 1.151 433 I CA 0.866 62.019 61.300 -0.246 0.000 1.470 433 I CB -0.307 37.446 38.000 -0.411 0.000 1.112 433 I HN 0.176 nan 8.210 nan 0.000 0.437 434 G N 0.074 108.772 108.800 -0.170 0.000 2.408 434 G HA2 -0.120 4.295 3.960 0.759 0.000 0.213 434 G HA3 -0.120 4.295 3.960 0.759 0.000 0.213 434 G C 0.711 175.556 174.900 -0.091 0.000 1.177 434 G CA 0.095 45.118 45.100 -0.128 0.000 0.802 434 G HN 0.383 nan 8.290 nan 0.000 0.533 435 C N 2.580 121.821 119.300 -0.100 0.000 2.365 435 C HA 0.323 5.238 4.460 0.759 0.000 0.412 435 C C 1.573 176.534 174.990 -0.048 0.000 1.023 435 C CA -0.878 58.104 59.018 -0.060 0.000 1.287 435 C CB -1.139 26.561 27.740 -0.066 0.000 1.675 435 C HN 0.595 nan 8.230 nan 0.000 0.520 436 K N 0.725 121.106 120.400 -0.032 0.000 2.404 436 K HA 0.074 4.850 4.320 0.759 0.000 0.194 436 K C 1.178 177.781 176.600 0.005 0.000 1.023 436 K CA 0.353 56.629 56.287 -0.020 0.000 1.094 436 K CB 0.213 32.703 32.500 -0.018 0.000 0.841 436 K HN 0.494 nan 8.250 nan 0.000 0.523 437 K N 0.809 121.220 120.400 0.018 0.000 2.426 437 K HA 0.107 4.882 4.320 0.759 0.000 0.193 437 K C 0.083 176.721 176.600 0.062 0.000 1.028 437 K CA -0.273 56.038 56.287 0.041 0.000 1.047 437 K CB 0.101 32.629 32.500 0.048 0.000 0.821 437 K HN 0.043 nan 8.250 nan 0.000 0.513 438 L N 1.416 122.674 121.223 0.058 0.000 2.540 438 L HA -0.084 4.712 4.340 0.759 0.000 0.276 438 L C 0.962 177.900 176.870 0.113 0.000 1.212 438 L CA 0.970 55.867 54.840 0.096 0.000 0.893 438 L CB 0.369 42.466 42.059 0.065 0.000 1.138 438 L HN 0.030 nan 8.230 nan 0.000 0.491 439 R N 2.827 123.427 120.500 0.166 0.000 2.412 439 R HA 0.300 5.095 4.340 0.759 0.000 0.212 439 R C -0.199 176.264 176.300 0.272 0.000 0.878 439 R CA -0.213 55.996 56.100 0.182 0.000 1.022 439 R CB 0.570 30.965 30.300 0.159 0.000 1.265 439 R HN 0.511 nan 8.270 nan 0.000 0.620 440 R N 0.361 121.068 120.500 0.345 0.000 2.621 440 R HA 0.407 5.203 4.340 0.759 0.000 0.292 440 R C -1.629 174.960 176.300 0.480 0.000 0.969 440 R CA -0.637 55.781 56.100 0.530 0.000 0.887 440 R CB 2.247 32.944 30.300 0.662 0.000 1.180 440 R HN -0.132 nan 8.270 nan 0.000 0.450 441 F N 1.341 121.356 119.950 0.108 0.000 2.588 441 F HA 0.652 5.632 4.527 0.756 0.000 0.318 441 F C -1.681 173.987 175.800 -0.220 0.000 1.155 441 F CA -0.452 57.566 58.000 0.031 0.000 0.967 441 F CB 1.843 40.870 39.000 0.046 0.000 1.236 441 F HN 0.659 nan 8.300 nan 0.000 0.455 442 A N 5.396 127.794 122.820 -0.704 0.000 2.356 442 A HA 0.811 5.586 4.320 0.759 0.000 0.310 442 A C -2.236 175.033 177.584 -0.525 0.000 1.075 442 A CA -0.456 51.217 52.037 -0.607 0.000 0.746 442 A CB 0.915 19.729 19.000 -0.309 0.000 1.221 442 A HN 0.717 nan 8.150 nan 0.000 0.443 443 F N 2.502 122.130 119.950 -0.536 0.000 3.090 443 F HA 0.388 5.369 4.527 0.757 0.000 0.381 443 F C -1.467 174.273 175.800 -0.100 0.000 1.231 443 F CA -0.555 57.248 58.000 -0.328 0.000 1.177 443 F CB 1.008 39.833 39.000 -0.292 0.000 1.598 443 F HN 0.597 nan 8.300 nan 0.000 0.589 444 Y N 6.133 126.228 120.300 -0.342 0.000 2.328 444 Y HA 0.724 5.727 4.550 0.756 0.000 0.337 444 Y C -1.039 174.727 175.900 -0.223 0.000 0.966 444 Y CA -0.476 57.493 58.100 -0.219 0.000 1.136 444 Y CB 0.847 39.191 38.460 -0.193 0.000 1.170 444 Y HN 0.464 nan 8.280 nan 0.000 0.470 445 L N 4.154 125.317 121.223 -0.099 0.000 2.426 445 L HA 0.634 5.430 4.340 0.759 0.000 0.260 445 L C -0.471 176.418 176.870 0.033 0.000 1.233 445 L CA -1.429 53.379 54.840 -0.053 0.000 1.267 445 L CB 1.335 43.316 42.059 -0.130 0.000 1.814 445 L HN 0.443 nan 8.230 nan 0.000 0.561 446 R N -0.562 119.896 120.500 -0.071 0.000 2.875 446 R HA 0.229 5.025 4.340 0.759 0.000 0.251 446 R C 0.611 176.802 176.300 -0.182 0.000 1.123 446 R CA -0.547 55.416 56.100 -0.228 0.000 1.064 446 R CB 1.330 31.528 30.300 -0.169 0.000 1.205 446 R HN 0.429 nan 8.270 nan 0.000 0.503 447 Q N 0.903 120.544 119.800 -0.265 0.000 2.002 447 Q HA -0.078 4.718 4.340 0.759 0.000 0.204 447 Q C 1.408 177.374 176.000 -0.056 0.000 0.988 447 Q CA 2.398 58.125 55.803 -0.127 0.000 0.843 447 Q CB -0.796 27.859 28.738 -0.138 0.000 0.908 447 Q HN 0.899 nan 8.270 nan 0.000 0.420 448 G N -0.495 108.270 108.800 -0.058 0.000 3.094 448 G HA2 0.049 4.465 3.960 0.759 0.000 0.208 448 G HA3 0.049 4.465 3.960 0.759 0.000 0.208 448 G C 1.138 176.037 174.900 -0.002 0.000 1.189 448 G CA 0.555 45.639 45.100 -0.026 0.000 0.856 448 G HN 0.467 nan 8.290 nan 0.000 0.510 449 G N -0.311 108.490 108.800 0.002 0.000 2.421 449 G HA2 0.221 4.636 3.960 0.759 0.000 0.217 449 G HA3 0.221 4.636 3.960 0.759 0.000 0.217 449 G C 0.239 175.190 174.900 0.086 0.000 1.143 449 G CA 0.422 45.539 45.100 0.028 0.000 0.784 449 G HN 0.415 nan 8.290 nan 0.000 0.541 450 L N 0.394 121.671 121.223 0.090 0.000 2.472 450 L HA 0.540 5.335 4.340 0.759 0.000 0.260 450 L C -0.013 176.902 176.870 0.077 0.000 0.963 450 L CA -0.504 54.411 54.840 0.124 0.000 0.829 450 L CB 2.362 44.542 42.059 0.203 0.000 1.348 450 L HN 0.115 nan 8.230 nan 0.000 0.408 451 T N -1.395 113.195 114.554 0.060 0.000 2.944 451 T HA 0.343 5.148 4.350 0.759 0.000 0.284 451 T C 0.519 175.229 174.700 0.016 0.000 1.010 451 T CA -0.483 61.634 62.100 0.028 0.000 1.025 451 T CB 1.067 69.942 68.868 0.012 0.000 1.079 451 T HN 0.581 nan 8.240 nan 0.000 0.516 452 D N 0.227 120.637 120.400 0.017 0.000 2.228 452 D HA -0.107 4.989 4.640 0.759 0.000 0.203 452 D C 1.794 178.060 176.300 -0.056 0.000 0.988 452 D CA 0.615 54.626 54.000 0.019 0.000 0.864 452 D CB -0.144 40.673 40.800 0.030 0.000 0.928 452 D HN 0.426 nan 8.370 nan 0.000 0.469 453 L N 0.334 121.487 121.223 -0.115 0.000 2.044 453 L HA 0.002 4.797 4.340 0.759 0.000 0.205 453 L C 2.112 178.663 176.870 -0.531 0.000 1.075 453 L CA 1.842 56.510 54.840 -0.287 0.000 0.747 453 L CB -0.974 40.941 42.059 -0.239 0.000 0.903 453 L HN 0.088 nan 8.230 nan 0.000 0.435 454 G N 0.147 108.779 108.800 -0.280 0.000 2.408 454 G HA2 -0.250 4.166 3.960 0.759 0.000 0.217 454 G HA3 -0.250 4.166 3.960 0.759 0.000 0.217 454 G C 1.686 176.593 174.900 0.012 0.000 1.150 454 G CA 0.665 45.702 45.100 -0.105 0.000 0.776 454 G HN 0.382 nan 8.290 nan 0.000 0.542 455 L N 1.334 122.567 121.223 0.016 0.000 2.017 455 L HA -0.115 4.680 4.340 0.759 0.000 0.208 455 L C 3.233 180.181 176.870 0.129 0.000 1.073 455 L CA 1.855 56.743 54.840 0.080 0.000 0.745 455 L CB -0.275 41.828 42.059 0.072 0.000 0.894 455 L HN 0.453 nan 8.230 nan 0.000 0.432 456 S N -1.651 114.064 115.700 0.026 0.000 2.474 456 S HA -0.193 4.732 4.470 0.759 0.000 0.235 456 S C 1.810 176.459 174.600 0.082 0.000 0.997 456 S CA 0.504 58.728 58.200 0.041 0.000 0.949 456 S CB -0.659 62.511 63.200 -0.049 0.000 0.766 456 S HN 0.522 nan 8.310 nan 0.000 0.517 457 Y N 1.385 121.736 120.300 0.086 0.000 2.163 457 Y HA -0.044 4.961 4.550 0.758 0.000 0.288 457 Y C 2.438 178.399 175.900 0.101 0.000 1.136 457 Y CA 1.075 59.252 58.100 0.128 0.000 1.147 457 Y CB -0.309 38.252 38.460 0.167 0.000 0.987 457 Y HN 0.260 nan 8.280 nan 0.000 0.509 458 I N -0.235 120.489 120.570 0.257 0.000 2.118 458 I HA -0.319 4.306 4.170 0.759 0.000 0.241 458 I C 2.705 178.884 176.117 0.103 0.000 1.070 458 I CA 1.618 63.002 61.300 0.140 0.000 1.327 458 I CB -1.016 37.098 38.000 0.190 0.000 1.034 458 I HN 0.271 nan 8.210 nan 0.000 0.405 459 G N -0.395 108.485 108.800 0.133 0.000 2.450 459 G HA2 -0.298 4.117 3.960 0.759 0.000 0.220 459 G HA3 -0.298 4.117 3.960 0.759 0.000 0.220 459 G C 1.603 176.384 174.900 -0.197 0.000 1.130 459 G CA 0.678 45.647 45.100 -0.218 0.000 0.760 459 G HN 0.438 nan 8.290 nan 0.000 0.557 460 Q N -1.073 118.627 119.800 -0.166 0.000 2.137 460 Q HA 0.038 4.834 4.340 0.759 0.000 0.198 460 Q C 1.051 176.781 176.000 -0.450 0.000 0.960 460 Q CA 0.647 56.238 55.803 -0.354 0.000 0.847 460 Q CB 0.057 28.515 28.738 -0.468 0.000 0.915 460 Q HN 0.666 nan 8.270 nan 0.000 0.448 461 Y N -0.217 120.045 120.300 -0.063 0.000 2.681 461 Y HA 0.212 5.218 4.550 0.759 0.000 0.267 461 Y C -0.064 175.754 175.900 -0.137 0.000 1.166 461 Y CA -0.519 57.520 58.100 -0.103 0.000 1.209 461 Y CB 1.113 39.495 38.460 -0.130 0.000 1.161 461 Y HN 0.002 nan 8.280 nan 0.000 0.534 462 S N -0.274 115.401 115.700 -0.041 0.000 2.269 462 S HA 0.291 5.217 4.470 0.759 0.000 0.194 462 S C -2.272 172.294 174.600 -0.056 0.000 1.547 462 S CA -1.295 56.858 58.200 -0.079 0.000 1.186 462 S CB 1.016 64.131 63.200 -0.143 0.000 1.069 462 S HN 0.044 nan 8.310 nan 0.000 0.473 463 P HA 0.120 nan 4.420 nan 0.000 0.230 463 P C 0.347 177.645 177.300 -0.004 0.000 1.168 463 P CA 0.548 63.632 63.100 -0.027 0.000 0.793 463 P CB 0.202 31.892 31.700 -0.017 0.000 0.851 464 N N -0.652 118.053 118.700 0.009 0.000 2.250 464 N HA 0.063 5.259 4.740 0.759 0.000 0.190 464 N C 0.250 175.799 175.510 0.065 0.000 1.116 464 N CA 0.101 53.173 53.050 0.036 0.000 0.881 464 N CB 0.617 39.127 38.487 0.039 0.000 1.006 464 N HN -0.030 nan 8.380 nan 0.000 0.491 465 V N 1.892 121.841 119.914 0.059 0.000 2.599 465 V HA 0.025 4.600 4.120 0.759 0.000 0.300 465 V C 1.376 177.550 176.094 0.134 0.000 1.034 465 V CA 0.558 62.924 62.300 0.110 0.000 1.115 465 V CB 1.066 32.941 31.823 0.088 0.000 0.934 465 V HN 0.123 nan 8.190 nan 0.000 0.485 466 R N 2.494 123.112 120.500 0.196 0.000 2.316 466 R HA 0.169 4.964 4.340 0.759 0.000 0.201 466 R C -0.199 176.293 176.300 0.319 0.000 0.888 466 R CA -0.055 56.174 56.100 0.216 0.000 1.041 466 R CB 0.694 31.108 30.300 0.191 0.000 1.115 466 R HN 0.735 nan 8.270 nan 0.000 0.559 467 W N 0.984 122.373 121.300 0.148 0.000 2.883 467 W HA 0.580 5.687 4.660 0.745 0.000 0.335 467 W C -1.697 174.949 176.519 0.211 0.000 1.083 467 W CA -0.786 56.655 57.345 0.160 0.000 1.233 467 W CB 1.190 30.720 29.460 0.116 0.000 1.412 467 W HN -0.269 nan 8.180 nan 0.000 0.490 468 M N 6.787 126.006 119.600 -0.636 0.000 2.326 468 M HA 0.371 5.307 4.480 0.759 0.000 0.292 468 M C -1.646 174.165 176.300 -0.814 0.000 1.081 468 M CA -1.153 53.736 55.300 -0.686 0.000 0.919 468 M CB 2.071 34.641 32.600 -0.050 0.000 1.634 468 M HN 0.392 nan 8.290 nan 0.000 0.451 469 L N 5.169 125.883 121.223 -0.849 0.000 2.305 469 L HA 0.720 5.515 4.340 0.759 0.000 0.284 469 L C -1.929 174.834 176.870 -0.178 0.000 1.013 469 L CA -0.258 54.377 54.840 -0.342 0.000 0.819 469 L CB 1.163 43.105 42.059 -0.194 0.000 1.227 469 L HN 0.667 nan 8.230 nan 0.000 0.417 470 L N 5.463 126.645 121.223 -0.068 0.000 2.362 470 L HA 0.664 5.460 4.340 0.759 0.000 0.275 470 L C 0.858 177.644 176.870 -0.141 0.000 0.998 470 L CA -0.530 54.278 54.840 -0.053 0.000 0.820 470 L CB 1.744 43.764 42.059 -0.065 0.000 1.270 470 L HN 0.783 nan 8.230 nan 0.000 0.415 471 G N 0.963 109.624 108.800 -0.232 0.000 3.224 471 G HA2 -0.023 4.392 3.960 0.759 0.000 0.161 471 G HA3 -0.023 4.392 3.960 0.759 0.000 0.161 471 G C -0.225 174.308 174.900 -0.611 0.000 1.872 471 G CA 0.149 44.811 45.100 -0.731 0.000 1.012 471 G HN 0.516 nan 8.290 nan 0.000 0.504 472 Y N 0.947 120.973 120.300 -0.456 0.000 2.933 472 Y HA 0.363 5.371 4.550 0.763 0.000 0.380 472 Y C 0.969 176.758 175.900 -0.186 0.000 1.056 472 Y CA -0.776 57.141 58.100 -0.305 0.000 1.704 472 Y CB 0.017 38.318 38.460 -0.266 0.000 1.558 472 Y HN 0.236 nan 8.280 nan 0.000 0.501 473 V N -1.235 118.655 119.914 -0.040 0.000 2.834 473 V HA 0.947 5.523 4.120 0.759 0.000 0.301 473 V C 0.582 176.688 176.094 0.021 0.000 1.066 473 V CA 0.038 62.365 62.300 0.044 0.000 1.052 473 V CB 0.851 32.745 31.823 0.119 0.000 1.021 473 V HN 0.611 nan 8.190 nan 0.000 0.480 474 G N 3.345 112.184 108.800 0.065 0.000 2.712 474 G HA2 -0.097 4.318 3.960 0.759 0.000 0.683 474 G HA3 -0.097 4.318 3.960 0.759 0.000 0.683 474 G C -0.278 174.603 174.900 -0.031 0.000 1.320 474 G CA 0.262 45.407 45.100 0.076 0.000 0.847 474 G HN 1.020 nan 8.290 nan 0.000 0.553 475 E N -0.861 119.336 120.200 -0.005 0.000 2.502 475 E HA 0.312 5.117 4.350 0.759 0.000 0.206 475 E C 0.997 177.576 176.600 -0.035 0.000 0.821 475 E CA 0.587 56.965 56.400 -0.036 0.000 1.354 475 E CB 1.040 30.738 29.700 -0.005 0.000 1.336 475 E HN 1.126 nan 8.360 nan 0.000 0.675 476 S N 0.047 115.778 115.700 0.051 0.000 2.671 476 S HA 0.205 5.130 4.470 0.759 0.000 0.277 476 S C -0.499 174.263 174.600 0.269 0.000 1.165 476 S CA -0.700 57.556 58.200 0.093 0.000 0.822 476 S CB 1.429 64.666 63.200 0.063 0.000 1.150 476 S HN -0.156 nan 8.310 nan 0.000 0.479 477 D N 0.953 121.514 120.400 0.268 0.000 2.393 477 D HA -0.045 5.050 4.640 0.759 0.000 0.220 477 D C 1.431 177.807 176.300 0.127 0.000 0.974 477 D CA 0.927 55.090 54.000 0.271 0.000 0.931 477 D CB -0.043 40.855 40.800 0.163 0.000 0.889 477 D HN 0.533 nan 8.370 nan 0.000 0.512 478 E N 0.178 120.447 120.200 0.115 0.000 2.047 478 E HA -0.074 4.732 4.350 0.759 0.000 0.191 478 E C 2.327 178.961 176.600 0.056 0.000 0.987 478 E CA 1.075 57.511 56.400 0.061 0.000 0.799 478 E CB -0.372 29.355 29.700 0.046 0.000 0.752 478 E HN 0.414 nan 8.360 nan 0.000 0.449 479 G N 1.351 110.215 108.800 0.108 0.000 2.422 479 G HA2 -0.213 4.203 3.960 0.759 0.000 0.218 479 G HA3 -0.213 4.203 3.960 0.759 0.000 0.218 479 G C 1.609 176.526 174.900 0.029 0.000 1.140 479 G CA 0.466 45.623 45.100 0.095 0.000 0.775 479 G HN 0.167 nan 8.290 nan 0.000 0.545 480 L N 0.182 121.323 121.223 -0.135 0.000 2.072 480 L HA 0.192 4.987 4.340 0.759 0.000 0.205 480 L C 2.608 179.421 176.870 -0.096 0.000 1.079 480 L CA 1.655 56.249 54.840 -0.410 0.000 0.752 480 L CB -0.320 41.099 42.059 -1.067 0.000 0.906 480 L HN 0.212 nan 8.230 nan 0.000 0.436 481 M N -1.178 118.381 119.600 -0.068 0.000 2.175 481 M HA -0.157 4.778 4.480 0.759 0.000 0.264 481 M C 2.007 178.303 176.300 -0.007 0.000 1.063 481 M CA 1.517 56.800 55.300 -0.029 0.000 1.119 481 M CB -0.254 32.331 32.600 -0.024 0.000 1.377 481 M HN 0.298 nan 8.290 nan 0.000 0.415 482 E N 0.028 120.234 120.200 0.012 0.000 2.051 482 E HA -0.212 4.594 4.350 0.759 0.000 0.192 482 E C 1.735 178.350 176.600 0.024 0.000 0.991 482 E CA 1.331 57.735 56.400 0.007 0.000 0.799 482 E CB -0.755 28.947 29.700 0.005 0.000 0.748 482 E HN 0.603 nan 8.360 nan 0.000 0.449 483 F N 2.145 122.043 119.950 -0.086 0.000 2.120 483 F HA -0.260 4.719 4.527 0.753 0.000 0.300 483 F C 2.506 178.258 175.800 -0.081 0.000 1.095 483 F CA 2.087 60.039 58.000 -0.080 0.000 1.249 483 F CB -0.417 38.532 39.000 -0.086 0.000 0.995 483 F HN 0.019 nan 8.300 nan 0.000 0.480 484 S N 1.387 117.026 115.700 -0.102 0.000 2.447 484 S HA -0.226 4.700 4.470 0.759 0.000 0.233 484 S C 1.952 176.427 174.600 -0.209 0.000 1.006 484 S CA 0.805 58.888 58.200 -0.195 0.000 0.957 484 S CB -0.933 62.236 63.200 -0.050 0.000 0.773 484 S HN 0.720 nan 8.310 nan 0.000 0.507 485 R N 0.857 121.256 120.500 -0.168 0.000 2.323 485 R HA 0.311 5.107 4.340 0.759 0.000 0.198 485 R C 1.156 177.350 176.300 -0.177 0.000 0.988 485 R CA 0.550 56.565 56.100 -0.141 0.000 1.041 485 R CB -0.444 29.796 30.300 -0.100 0.000 0.926 485 R HN 0.415 nan 8.270 nan 0.000 0.476 486 G N 0.209 108.849 108.800 -0.268 0.000 3.194 486 G HA2 0.257 4.673 3.960 0.759 0.000 0.160 486 G HA3 0.257 4.673 3.960 0.759 0.000 0.160 486 G C -0.621 174.097 174.900 -0.302 0.000 1.267 486 G CA -0.159 44.776 45.100 -0.275 0.000 0.962 486 G HN 0.309 nan 8.290 nan 0.000 0.612 487 C N 0.864 119.976 119.300 -0.314 0.000 3.268 487 C HA -0.086 4.830 4.460 0.759 0.000 0.277 487 C C -0.910 173.997 174.990 -0.137 0.000 1.259 487 C CA -0.203 58.668 59.018 -0.246 0.000 2.353 487 C CB -1.837 25.679 27.740 -0.374 0.000 1.482 487 C HN 0.531 nan 8.230 nan 0.000 0.513 488 P HA -0.095 nan 4.420 nan 0.000 0.217 488 P C 0.829 178.117 177.300 -0.020 0.000 1.150 488 P CA 1.668 64.734 63.100 -0.057 0.000 0.832 488 P CB 0.059 31.730 31.700 -0.048 0.000 0.787 489 N N -1.737 116.961 118.700 -0.002 0.000 2.177 489 N HA 0.141 5.337 4.740 0.759 0.000 0.218 489 N C -0.140 175.413 175.510 0.072 0.000 1.182 489 N CA -0.324 52.749 53.050 0.038 0.000 0.882 489 N CB 0.311 38.824 38.487 0.045 0.000 1.052 489 N HN 0.039 nan 8.380 nan 0.000 0.519 490 L N 1.812 123.070 121.223 0.060 0.000 2.534 490 L HA -0.037 4.758 4.340 0.759 0.000 0.271 490 L C 0.857 177.820 176.870 0.155 0.000 1.178 490 L CA 0.869 55.775 54.840 0.111 0.000 0.907 490 L CB 0.823 42.932 42.059 0.084 0.000 1.164 490 L HN 0.334 nan 8.230 nan 0.000 0.482 491 Q N 3.152 123.076 119.800 0.207 0.000 2.481 491 Q HA 0.096 4.891 4.340 0.759 0.000 0.219 491 Q C 0.050 176.242 176.000 0.321 0.000 0.920 491 Q CA 0.368 56.319 55.803 0.246 0.000 0.915 491 Q CB 0.777 29.648 28.738 0.221 0.000 1.057 491 Q HN 0.469 nan 8.270 nan 0.000 0.581 492 K N 0.933 121.543 120.400 0.350 0.000 2.376 492 K HA 0.460 5.236 4.320 0.759 0.000 0.257 492 K C -1.908 174.957 176.600 0.442 0.000 0.939 492 K CA -0.541 56.015 56.287 0.448 0.000 0.809 492 K CB 1.416 34.147 32.500 0.385 0.000 1.121 492 K HN -0.060 nan 8.250 nan 0.000 0.425 493 L N 3.532 125.020 121.223 0.441 0.000 2.376 493 L HA 0.429 5.224 4.340 0.759 0.000 0.275 493 L C -1.539 175.543 176.870 0.354 0.000 0.987 493 L CA 0.014 55.039 54.840 0.309 0.000 0.828 493 L CB 1.810 44.025 42.059 0.260 0.000 1.249 493 L HN 0.706 nan 8.230 nan 0.000 0.409 494 E N 6.348 126.732 120.200 0.307 0.000 2.176 494 E HA 0.660 5.466 4.350 0.759 0.000 0.267 494 E C -1.330 175.413 176.600 0.238 0.000 0.893 494 E CA -0.496 56.168 56.400 0.441 0.000 0.761 494 E CB 1.942 31.986 29.700 0.573 0.000 1.133 494 E HN 0.565 nan 8.360 nan 0.000 0.409 495 M N 2.909 122.599 119.600 0.151 0.000 2.326 495 M HA 0.509 5.444 4.480 0.759 0.000 0.292 495 M C -0.658 175.604 176.300 -0.063 0.000 1.081 495 M CA -0.889 54.422 55.300 0.017 0.000 0.919 495 M CB 2.482 35.069 32.600 -0.022 0.000 1.634 495 M HN 0.387 nan 8.290 nan 0.000 0.451 496 R N 0.901 121.343 120.500 -0.096 0.000 2.795 496 R HA 0.840 5.635 4.340 0.759 0.000 0.275 496 R C 0.027 176.050 176.300 -0.461 0.000 0.981 496 R CA -0.118 55.883 56.100 -0.165 0.000 0.917 496 R CB 2.032 32.358 30.300 0.043 0.000 1.202 496 R HN 1.005 nan 8.270 nan 0.000 0.469 497 G N 1.112 109.636 108.800 -0.459 0.000 2.291 497 G HA2 -0.214 4.202 3.960 0.759 0.000 0.271 497 G HA3 -0.214 4.202 3.960 0.759 0.000 0.271 497 G C -0.475 174.018 174.900 -0.678 0.000 1.099 497 G CA 0.058 44.650 45.100 -0.847 0.000 0.919 497 G HN 0.645 nan 8.290 nan 0.000 0.496 498 C N -0.794 118.307 119.300 -0.331 0.000 2.562 498 C HA 0.655 5.571 4.460 0.759 0.000 0.332 498 C C 1.910 176.721 174.990 -0.297 0.000 1.201 498 C CA -0.067 58.748 59.018 -0.339 0.000 1.803 498 C CB 1.318 28.926 27.740 -0.219 0.000 2.328 498 C HN 1.108 nan 8.230 nan 0.000 0.500 499 C N -0.918 118.065 119.300 -0.528 0.000 2.693 499 C HA 0.443 5.358 4.460 0.759 0.000 0.286 499 C C 0.300 175.113 174.990 -0.295 0.000 1.277 499 C CA -0.625 58.182 59.018 -0.351 0.000 1.705 499 C CB -2.506 25.047 27.740 -0.311 0.000 1.879 499 C HN 0.649 nan 8.230 nan 0.000 0.607 500 F N 2.688 122.643 119.950 0.008 0.000 2.382 500 F HA 0.450 5.432 4.527 0.760 0.000 0.331 500 F C 1.246 177.082 175.800 0.060 0.000 1.121 500 F CA -0.124 57.888 58.000 0.020 0.000 1.183 500 F CB 0.798 39.799 39.000 0.002 0.000 1.207 500 F HN 0.232 nan 8.300 nan 0.000 0.555 501 S N 0.415 116.270 115.700 0.258 0.000 2.713 501 S HA 0.275 5.201 4.470 0.759 0.000 0.283 501 S C 0.749 175.469 174.600 0.199 0.000 1.161 501 S CA -0.761 57.547 58.200 0.180 0.000 0.999 501 S CB 1.453 64.722 63.200 0.115 0.000 1.039 501 S HN 0.742 nan 8.310 nan 0.000 0.548 502 E N 0.934 121.255 120.200 0.201 0.000 2.033 502 E HA -0.211 4.594 4.350 0.759 0.000 0.199 502 E C 2.261 178.923 176.600 0.103 0.000 1.011 502 E CA 1.431 57.946 56.400 0.192 0.000 0.815 502 E CB -0.229 29.584 29.700 0.187 0.000 0.755 502 E HN 0.686 nan 8.360 nan 0.000 0.451 503 R N 1.226 121.774 120.500 0.079 0.000 2.237 503 R HA -0.003 4.793 4.340 0.759 0.000 0.219 503 R C 1.791 178.113 176.300 0.037 0.000 1.080 503 R CA 1.262 57.392 56.100 0.048 0.000 0.995 503 R CB -0.272 30.051 30.300 0.038 0.000 0.875 503 R HN 0.116 nan 8.270 nan 0.000 0.462 504 A N 2.134 124.986 122.820 0.054 0.000 1.872 504 A HA 0.006 4.781 4.320 0.759 0.000 0.214 504 A C 2.330 179.907 177.584 -0.012 0.000 1.187 504 A CA 1.029 53.085 52.037 0.031 0.000 0.614 504 A CB -0.239 18.812 19.000 0.084 0.000 0.826 504 A HN 0.209 nan 8.150 nan 0.000 0.442 505 I N 0.200 120.775 120.570 0.008 0.000 2.076 505 I HA -0.281 4.344 4.170 0.759 0.000 0.237 505 I C 3.041 179.147 176.117 -0.017 0.000 1.059 505 I CA 1.639 62.925 61.300 -0.023 0.000 1.317 505 I CB -1.709 36.279 38.000 -0.019 0.000 1.037 505 I HN 0.364 nan 8.210 nan 0.000 0.398 506 A N 1.043 123.864 122.820 0.002 0.000 1.940 506 A HA -0.256 4.519 4.320 0.759 0.000 0.221 506 A C 2.513 180.079 177.584 -0.029 0.000 1.190 506 A CA 2.809 54.845 52.037 -0.001 0.000 0.647 506 A CB -0.928 18.081 19.000 0.015 0.000 0.821 506 A HN 0.517 nan 8.150 nan 0.000 0.457 507 A N -0.879 121.926 122.820 -0.025 0.000 1.968 507 A HA 0.321 5.097 4.320 0.759 0.000 0.217 507 A C 2.428 179.983 177.584 -0.049 0.000 1.169 507 A CA 1.686 53.702 52.037 -0.035 0.000 0.638 507 A CB -0.783 18.203 19.000 -0.023 0.000 0.812 507 A HN 1.089 nan 8.150 nan 0.000 0.446 508 A N -0.612 122.179 122.820 -0.048 0.000 1.968 508 A HA 0.098 4.874 4.320 0.759 0.000 0.217 508 A C 2.122 179.677 177.584 -0.047 0.000 1.169 508 A CA 1.430 53.440 52.037 -0.046 0.000 0.638 508 A CB -0.673 18.300 19.000 -0.046 0.000 0.812 508 A HN 0.309 nan 8.150 nan 0.000 0.446 509 V N 0.323 120.202 119.914 -0.058 0.000 2.407 509 V HA -0.215 4.361 4.120 0.759 0.000 0.248 509 V C 2.711 178.707 176.094 -0.165 0.000 1.055 509 V CA 2.437 64.678 62.300 -0.099 0.000 1.049 509 V CB -1.045 30.707 31.823 -0.118 0.000 0.662 509 V HN 0.683 nan 8.190 nan 0.000 0.455 510 T N -1.049 113.417 114.554 -0.146 0.000 2.904 510 T HA -0.133 4.673 4.350 0.759 0.000 0.267 510 T C 1.806 176.445 174.700 -0.102 0.000 1.059 510 T CA 0.880 62.894 62.100 -0.144 0.000 1.137 510 T CB -0.138 68.662 68.868 -0.112 0.000 0.879 510 T HN 0.429 nan 8.240 nan 0.000 0.467 511 K N 0.383 120.733 120.400 -0.085 0.000 2.366 511 K HA 0.183 4.959 4.320 0.759 0.000 0.198 511 K C 0.322 176.872 176.600 -0.082 0.000 1.044 511 K CA 0.215 56.456 56.287 -0.076 0.000 0.973 511 K CB -0.098 32.359 32.500 -0.072 0.000 0.767 511 K HN 0.336 nan 8.250 nan 0.000 0.475 512 L N 2.998 124.172 121.223 -0.082 0.000 2.315 512 L HA 0.078 4.873 4.340 0.759 0.000 0.283 512 L C -1.279 175.565 176.870 -0.044 0.000 1.089 512 L CA -1.405 53.392 54.840 -0.072 0.000 0.833 512 L CB 0.940 42.972 42.059 -0.044 0.000 1.170 512 L HN -0.019 nan 8.230 nan 0.000 0.442 513 P HA -0.068 nan 4.420 nan 0.000 0.219 513 P C 0.922 178.239 177.300 0.030 0.000 1.150 513 P CA 0.882 63.974 63.100 -0.012 0.000 0.814 513 P CB 0.551 32.236 31.700 -0.024 0.000 0.787 514 S N -1.237 114.494 115.700 0.051 0.000 2.526 514 S HA 0.148 5.074 4.470 0.759 0.000 0.220 514 S C 0.646 175.350 174.600 0.172 0.000 1.017 514 S CA -0.477 57.783 58.200 0.100 0.000 0.930 514 S CB -0.322 62.930 63.200 0.086 0.000 0.856 514 S HN -0.003 nan 8.310 nan 0.000 0.497 515 L N 3.812 125.131 121.223 0.161 0.000 2.601 515 L HA 0.049 4.844 4.340 0.759 0.000 0.277 515 L C 1.006 178.102 176.870 0.376 0.000 1.219 515 L CA 0.786 55.769 54.840 0.237 0.000 0.915 515 L CB 0.422 42.576 42.059 0.158 0.000 1.160 515 L HN 0.250 nan 8.230 nan 0.000 0.494 516 R N 3.076 123.875 120.500 0.498 0.000 2.541 516 R HA 0.239 5.034 4.340 0.759 0.000 0.332 516 R C -0.790 175.903 176.300 0.656 0.000 0.951 516 R CA -0.519 55.993 56.100 0.688 0.000 1.136 516 R CB 0.115 30.772 30.300 0.595 0.000 1.449 516 R HN 0.485 nan 8.270 nan 0.000 0.531 517 Y N 0.575 121.128 120.300 0.422 0.000 2.436 517 Y HA 0.552 5.493 4.550 0.651 0.000 0.327 517 Y C -2.263 173.832 175.900 0.325 0.000 1.138 517 Y CA -1.462 56.832 58.100 0.322 0.000 1.042 517 Y CB 2.150 40.776 38.460 0.276 0.000 1.302 517 Y HN 0.044 nan 8.280 nan 0.000 0.439 518 L N 7.442 128.710 121.223 0.075 0.000 2.505 518 L HA 0.565 5.360 4.340 0.759 0.000 0.266 518 L C -2.265 174.630 176.870 0.041 0.000 0.954 518 L CA -0.482 54.464 54.840 0.176 0.000 0.852 518 L CB 1.561 43.746 42.059 0.211 0.000 1.282 518 L HN 0.717 nan 8.230 nan 0.000 0.403 519 W N 7.356 128.658 121.300 0.004 0.000 2.785 519 W HA 0.829 5.932 4.660 0.737 0.000 0.333 519 W C -2.310 174.196 176.519 -0.021 0.000 1.062 519 W CA -0.908 56.414 57.345 -0.039 0.000 1.233 519 W CB 1.784 31.253 29.460 0.015 0.000 1.413 519 W HN 0.391 nan 8.180 nan 0.000 0.489 520 V N 5.044 124.339 119.914 -1.031 0.000 2.733 520 V HA 0.284 4.859 4.120 0.759 0.000 0.306 520 V C -0.737 174.713 176.094 -1.074 0.000 1.084 520 V CA -0.676 61.063 62.300 -0.935 0.000 0.905 520 V CB 1.749 33.260 31.823 -0.521 0.000 1.010 520 V HN 0.624 nan 8.190 nan 0.000 0.424 521 Q N 2.325 121.659 119.800 -0.776 0.000 2.330 521 Q HA 0.641 5.436 4.340 0.759 0.000 0.269 521 Q C -0.015 175.956 176.000 -0.048 0.000 1.022 521 Q CA 0.130 55.736 55.803 -0.329 0.000 0.796 521 Q CB 1.981 30.584 28.738 -0.226 0.000 1.271 521 Q HN 1.422 nan 8.270 nan 0.000 0.450 522 G N 3.356 112.260 108.800 0.174 0.000 3.405 522 G HA2 -0.138 4.277 3.960 0.759 0.000 0.676 522 G HA3 -0.138 4.277 3.960 0.759 0.000 0.676 522 G C -1.471 173.575 174.900 0.244 0.000 1.039 522 G CA -0.081 45.104 45.100 0.143 0.000 0.855 522 G HN 0.850 nan 8.290 nan 0.000 0.443 523 Y N -1.295 118.972 120.300 -0.055 0.000 2.620 523 Y HA 0.706 5.718 4.550 0.769 0.000 0.331 523 Y C -0.261 175.629 175.900 -0.016 0.000 1.173 523 Y CA -2.159 55.922 58.100 -0.031 0.000 1.076 523 Y CB 0.711 39.162 38.460 -0.015 0.000 1.336 523 Y HN 0.572 nan 8.280 nan 0.000 0.459 524 R N 2.272 122.749 120.500 -0.038 0.000 2.413 524 R HA 0.549 5.345 4.340 0.759 0.000 0.333 524 R C 0.410 176.618 176.300 -0.153 0.000 1.074 524 R CA 0.482 56.519 56.100 -0.105 0.000 0.982 524 R CB 0.154 30.446 30.300 -0.013 0.000 0.981 524 R HN 0.839 nan 8.270 nan 0.000 0.452 525 A N 2.456 125.074 122.820 -0.337 0.000 2.372 525 A HA 0.506 5.281 4.320 0.759 0.000 0.271 525 A C -0.048 177.487 177.584 -0.082 0.000 1.470 525 A CA -0.177 51.702 52.037 -0.263 0.000 0.827 525 A CB 0.529 19.308 19.000 -0.369 0.000 1.405 525 A HN 0.688 nan 8.150 nan 0.000 0.536 526 S N -3.214 112.461 115.700 -0.040 0.000 2.556 526 S HA 0.363 5.288 4.470 0.759 0.000 0.280 526 S C 0.092 174.688 174.600 -0.007 0.000 1.141 526 S CA 0.011 58.201 58.200 -0.017 0.000 0.883 526 S CB 0.859 64.063 63.200 0.007 0.000 1.103 526 S HN 0.682 nan 8.310 nan 0.000 0.453 527 M N 2.542 122.137 119.600 -0.009 0.000 2.195 527 M HA -0.068 4.868 4.480 0.759 0.000 0.260 527 M C 1.942 178.247 176.300 0.007 0.000 1.066 527 M CA 2.540 57.838 55.300 -0.004 0.000 1.089 527 M CB -1.289 31.308 32.600 -0.005 0.000 1.377 527 M HN 0.960 nan 8.290 nan 0.000 0.411 528 T N -0.876 113.684 114.554 0.010 0.000 2.580 528 T HA -0.050 4.755 4.350 0.759 0.000 0.265 528 T C 1.749 176.463 174.700 0.024 0.000 1.063 528 T CA 1.892 64.001 62.100 0.016 0.000 1.170 528 T CB -1.239 67.639 68.868 0.017 0.000 0.863 528 T HN 0.657 nan 8.240 nan 0.000 0.418 529 G N 0.225 109.045 108.800 0.035 0.000 2.225 529 G HA2 -0.272 4.144 3.960 0.759 0.000 0.254 529 G HA3 -0.272 4.144 3.960 0.759 0.000 0.254 529 G C 0.845 175.775 174.900 0.051 0.000 0.988 529 G CA 0.403 45.534 45.100 0.052 0.000 0.625 529 G HN 0.468 nan 8.290 nan 0.000 0.527 530 Q N 0.445 120.268 119.800 0.038 0.000 2.482 530 Q HA 0.101 4.897 4.340 0.759 0.000 0.209 530 Q C 1.560 177.582 176.000 0.036 0.000 0.961 530 Q CA 1.324 57.147 55.803 0.033 0.000 0.945 530 Q CB -0.020 28.732 28.738 0.023 0.000 1.012 530 Q HN 0.700 nan 8.270 nan 0.000 0.515 531 D N 0.176 120.604 120.400 0.047 0.000 2.137 531 D HA -0.058 5.038 4.640 0.759 0.000 0.202 531 D C 1.762 178.093 176.300 0.052 0.000 0.970 531 D CA 0.467 54.496 54.000 0.049 0.000 0.837 531 D CB 0.018 40.855 40.800 0.060 0.000 0.981 531 D HN 0.130 nan 8.370 nan 0.000 0.475 532 L N 0.212 121.473 121.223 0.064 0.000 2.127 532 L HA -0.164 4.631 4.340 0.759 0.000 0.211 532 L C 2.029 178.931 176.870 0.053 0.000 1.089 532 L CA 0.573 55.448 54.840 0.058 0.000 0.757 532 L CB -0.239 41.854 42.059 0.058 0.000 0.899 532 L HN 0.149 nan 8.230 nan 0.000 0.434 533 M N -0.240 119.387 119.600 0.046 0.000 2.260 533 M HA -0.233 4.702 4.480 0.759 0.000 0.261 533 M C 1.939 178.260 176.300 0.035 0.000 1.066 533 M CA 1.444 56.769 55.300 0.042 0.000 1.082 533 M CB -0.947 31.672 32.600 0.031 0.000 1.388 533 M HN 0.454 nan 8.290 nan 0.000 0.419 534 Q N 0.328 120.143 119.800 0.026 0.000 2.307 534 Q HA -0.009 4.786 4.340 0.759 0.000 0.216 534 Q C 0.967 176.964 176.000 -0.004 0.000 0.931 534 Q CA 0.314 56.123 55.803 0.010 0.000 0.953 534 Q CB -0.560 28.182 28.738 0.007 0.000 1.006 534 Q HN 0.719 nan 8.270 nan 0.000 0.472 535 M N -3.333 116.271 119.600 0.007 0.000 2.410 535 M HA 0.522 5.457 4.480 0.759 0.000 0.376 535 M C -0.008 176.279 176.300 -0.022 0.000 1.051 535 M CA -0.454 54.822 55.300 -0.040 0.000 0.949 535 M CB 0.957 33.537 32.600 -0.034 0.000 1.577 535 M HN 0.061 nan 8.290 nan 0.000 0.560 536 A N 2.372 125.219 122.820 0.046 0.000 2.770 536 A HA 0.427 5.202 4.320 0.759 0.000 0.292 536 A C 0.057 177.677 177.584 0.061 0.000 1.604 536 A CA -0.248 51.848 52.037 0.097 0.000 1.271 536 A CB -0.419 18.623 19.000 0.071 0.000 1.075 536 A HN 0.653 nan 8.150 nan 0.000 0.573 537 R N 1.821 122.357 120.500 0.059 0.000 2.574 537 R HA 0.483 5.278 4.340 0.759 0.000 0.266 537 R C -2.467 173.932 176.300 0.164 0.000 1.157 537 R CA -1.363 54.790 56.100 0.089 0.000 1.187 537 R CB -0.276 30.075 30.300 0.085 0.000 1.179 537 R HN 0.369 nan 8.270 nan 0.000 0.600 538 P HA 0.194 nan 4.420 nan 0.000 0.282 538 P C -1.060 176.400 177.300 0.266 0.000 1.249 538 P CA -0.343 62.788 63.100 0.051 0.000 0.806 538 P CB 0.343 31.992 31.700 -0.085 0.000 0.984 539 Y N -2.664 117.789 120.300 0.254 0.000 4.929 539 Y HA -0.197 4.800 4.550 0.743 0.000 0.253 539 Y C -0.055 176.112 175.900 0.445 0.000 0.946 539 Y CA 0.373 58.668 58.100 0.326 0.000 1.905 539 Y CB -1.665 37.001 38.460 0.342 0.000 1.400 539 Y HN 0.501 nan 8.280 nan 0.000 0.531 540 W N 3.586 124.993 121.300 0.178 0.000 2.282 540 W HA 0.437 5.607 4.660 0.849 0.000 0.322 540 W C -0.685 175.733 176.519 -0.168 0.000 1.011 540 W CA -0.751 56.540 57.345 -0.089 0.000 1.392 540 W CB 0.606 29.961 29.460 -0.175 0.000 1.215 540 W HN -0.097 nan 8.180 nan 0.000 0.394 541 N N 5.284 123.586 118.700 -0.663 0.000 2.499 541 N HA 0.291 5.486 4.740 0.759 0.000 0.281 541 N C -0.415 174.585 175.510 -0.850 0.000 1.098 541 N CA -0.174 52.462 53.050 -0.690 0.000 0.979 541 N CB 1.542 39.501 38.487 -0.880 0.000 1.121 541 N HN 0.443 nan 8.380 nan 0.000 0.466 542 I N -1.903 118.394 120.570 -0.455 0.000 2.569 542 I HA 0.627 5.252 4.170 0.759 0.000 0.296 542 I C -0.586 175.442 176.117 -0.148 0.000 1.028 542 I CA -0.430 60.677 61.300 -0.323 0.000 1.082 542 I CB 1.933 39.827 38.000 -0.176 0.000 1.264 542 I HN 0.367 nan 8.210 nan 0.000 0.429 543 E N 5.515 125.682 120.200 -0.055 0.000 2.340 543 E HA 0.697 5.503 4.350 0.759 0.000 0.273 543 E C -1.598 175.049 176.600 0.078 0.000 0.891 543 E CA -0.840 55.590 56.400 0.049 0.000 0.757 543 E CB 2.776 32.576 29.700 0.167 0.000 1.231 543 E HN 0.576 nan 8.360 nan 0.000 0.439 544 L N 2.885 124.163 121.223 0.091 0.000 2.362 544 L HA 0.646 5.441 4.340 0.759 0.000 0.271 544 L C -0.532 176.408 176.870 0.118 0.000 1.002 544 L CA -0.635 54.263 54.840 0.095 0.000 0.818 544 L CB 1.363 43.467 42.059 0.074 0.000 1.298 544 L HN 0.381 nan 8.230 nan 0.000 0.420 545 I N 0.750 121.382 120.570 0.102 0.000 3.239 545 I HA 0.547 5.172 4.170 0.759 0.000 0.314 545 I C -2.278 173.781 176.117 -0.098 0.000 1.126 545 I CA -1.707 59.625 61.300 0.052 0.000 0.973 545 I CB 2.232 40.318 38.000 0.143 0.000 1.252 545 I HN 0.393 nan 8.210 nan 0.000 0.463 546 P HA 0.255 nan 4.420 nan 0.000 0.184 546 P C -0.731 176.407 177.300 -0.270 0.000 1.074 546 P CA -0.111 62.900 63.100 -0.149 0.000 0.790 546 P CB 0.674 32.355 31.700 -0.032 0.000 0.843 547 S N -1.735 113.870 115.700 -0.157 0.000 2.754 547 S HA 0.425 5.350 4.470 0.759 0.000 0.302 547 S C -1.433 173.024 174.600 -0.238 0.000 0.922 547 S CA -0.751 57.307 58.200 -0.237 0.000 0.822 547 S CB 0.093 62.998 63.200 -0.492 0.000 1.020 547 S HN 0.038 nan 8.310 nan 0.000 0.475 548 R N 1.602 122.008 120.500 -0.158 0.000 3.270 548 R HA 0.677 5.473 4.340 0.759 0.000 0.252 548 R C -0.359 175.905 176.300 -0.061 0.000 1.331 548 R CA -0.753 55.296 56.100 -0.085 0.000 1.028 548 R CB 0.472 30.765 30.300 -0.012 0.000 1.450 548 R HN 0.928 nan 8.270 nan 0.000 0.471 564 H N 2.420 121.523 119.070 0.055 0.000 2.685 564 H HA 0.362 5.374 4.556 0.760 0.000 0.307 564 H C -2.288 173.068 175.328 0.048 0.000 1.017 564 H CA -1.633 54.461 56.048 0.077 0.000 1.237 564 H CB 1.261 31.070 29.762 0.078 0.000 1.409 564 H HN 0.325 nan 8.280 nan 0.000 0.488 565 P HA 0.055 nan 4.420 nan 0.000 0.269 565 P C -0.462 176.911 177.300 0.122 0.000 1.217 565 P CA -0.415 62.758 63.100 0.122 0.000 0.783 565 P CB 0.659 32.439 31.700 0.132 0.000 0.898 566 A N 1.931 124.816 122.820 0.108 0.000 2.492 566 A HA 0.104 4.880 4.320 0.759 0.000 0.254 566 A C -0.039 177.682 177.584 0.229 0.000 1.091 566 A CA 0.099 52.208 52.037 0.120 0.000 0.768 566 A CB -0.759 18.338 19.000 0.161 0.000 1.028 566 A HN 0.618 nan 8.150 nan 0.000 0.498 567 H N 0.757 119.840 119.070 0.022 0.000 2.505 567 H HA 0.517 5.527 4.556 0.757 0.000 0.351 567 H C -0.600 174.615 175.328 -0.189 0.000 1.151 567 H CA -0.567 55.350 56.048 -0.218 0.000 1.339 567 H CB 1.285 30.984 29.762 -0.105 0.000 1.483 567 H HN 0.555 nan 8.280 nan 0.000 0.558 568 I N 2.984 123.399 120.570 -0.257 0.000 2.418 568 I HA 0.140 4.766 4.170 0.759 0.000 0.287 568 I C -1.165 174.879 176.117 -0.122 0.000 1.008 568 I CA -0.596 60.583 61.300 -0.202 0.000 1.104 568 I CB 1.716 39.495 38.000 -0.370 0.000 1.264 568 I HN 0.203 nan 8.210 nan 0.000 0.438 569 L N 7.118 128.346 121.223 0.008 0.000 2.362 569 L HA 0.925 5.721 4.340 0.759 0.000 0.275 569 L C -0.858 175.971 176.870 -0.068 0.000 0.998 569 L CA -0.076 54.788 54.840 0.039 0.000 0.820 569 L CB 1.632 43.812 42.059 0.202 0.000 1.270 569 L HN 0.684 nan 8.230 nan 0.000 0.415 570 A N 4.249 126.938 122.820 -0.218 0.000 2.486 570 A HA 0.828 5.603 4.320 0.759 0.000 0.300 570 A C -1.929 175.224 177.584 -0.718 0.000 1.048 570 A CA -0.387 51.289 52.037 -0.602 0.000 0.696 570 A CB 1.185 19.786 19.000 -0.665 0.000 1.278 570 A HN 0.874 nan 8.150 nan 0.000 0.405 571 Y N -1.392 118.303 120.300 -1.008 0.000 2.581 571 Y HA 0.691 5.391 4.550 0.251 0.000 0.337 571 Y C -1.210 174.428 175.900 -0.437 0.000 1.108 571 Y CA -1.483 56.276 58.100 -0.569 0.000 1.033 571 Y CB 0.756 39.153 38.460 -0.106 0.000 1.318 571 Y HN 0.583 nan 8.280 nan 0.000 0.459 572 Y N 1.589 122.013 120.300 0.207 0.000 2.359 572 Y HA 0.464 5.436 4.550 0.704 0.000 0.330 572 Y C 0.591 176.693 175.900 0.336 0.000 1.143 572 Y CA 0.404 58.709 58.100 0.342 0.000 1.318 572 Y CB 1.478 40.199 38.460 0.435 0.000 1.234 572 Y HN 0.729 nan 8.280 nan 0.000 0.522 573 S N 3.891 119.889 115.700 0.496 0.000 2.546 573 S HA 0.373 5.298 4.470 0.759 0.000 0.272 573 S C -0.587 174.245 174.600 0.387 0.000 1.140 573 S CA -0.821 57.632 58.200 0.423 0.000 0.920 573 S CB 0.617 64.085 63.200 0.448 0.000 1.083 573 S HN 0.717 nan 8.310 nan 0.000 0.476 574 L N 3.626 125.015 121.223 0.276 0.000 2.715 574 L HA 0.415 5.211 4.340 0.759 0.000 0.238 574 L C 1.488 178.507 176.870 0.248 0.000 1.212 574 L CA 0.225 55.206 54.840 0.235 0.000 1.017 574 L CB -0.475 41.636 42.059 0.087 0.000 1.269 574 L HN 0.751 nan 8.230 nan 0.000 0.452 575 A N -0.790 122.187 122.820 0.262 0.000 2.066 575 A HA 0.665 5.440 4.320 0.759 0.000 0.198 575 A C 1.132 178.817 177.584 0.168 0.000 1.405 575 A CA 0.511 52.670 52.037 0.203 0.000 0.973 575 A CB 0.361 19.498 19.000 0.228 0.000 1.026 575 A HN 0.436 nan 8.150 nan 0.000 0.474 576 G N -0.663 108.244 108.800 0.178 0.000 2.582 576 G HA2 -0.064 4.351 3.960 0.759 0.000 0.222 576 G HA3 -0.064 4.351 3.960 0.759 0.000 0.222 576 G C -0.672 174.280 174.900 0.088 0.000 1.311 576 G CA -0.305 44.858 45.100 0.105 0.000 0.915 576 G HN 0.555 nan 8.290 nan 0.000 0.528 577 Q N 0.410 120.231 119.800 0.034 0.000 2.259 577 Q HA 0.512 5.308 4.340 0.759 0.000 0.249 577 Q C 0.785 176.785 176.000 -0.001 0.000 0.914 577 Q CA -0.427 55.378 55.803 0.004 0.000 0.904 577 Q CB 0.735 29.454 28.738 -0.031 0.000 1.213 577 Q HN 0.564 nan 8.270 nan 0.000 0.428 578 R N 0.936 121.407 120.500 -0.049 0.000 2.679 578 R HA 0.039 4.835 4.340 0.759 0.000 0.268 578 R C 0.686 176.934 176.300 -0.086 0.000 1.044 578 R CA 0.167 56.203 56.100 -0.105 0.000 1.105 578 R CB 0.030 30.080 30.300 -0.417 0.000 0.989 578 R HN 0.600 nan 8.270 nan 0.000 0.447 579 T N 0.403 114.933 114.554 -0.041 0.000 3.014 579 T HA -0.090 4.715 4.350 0.759 0.000 0.263 579 T C 0.635 175.305 174.700 -0.050 0.000 1.078 579 T CA 1.200 63.279 62.100 -0.036 0.000 1.135 579 T CB -0.122 68.737 68.868 -0.016 0.000 0.895 579 T HN 0.737 nan 8.240 nan 0.000 0.480 580 D N 0.301 120.670 120.400 -0.052 0.000 2.370 580 D HA 0.094 5.190 4.640 0.759 0.000 0.230 580 D C -0.122 176.144 176.300 -0.057 0.000 1.143 580 D CA -0.521 53.474 54.000 -0.008 0.000 0.834 580 D CB -1.417 39.475 40.800 0.154 0.000 0.944 580 D HN 0.203 nan 8.370 nan 0.000 0.504 581 C N 2.041 121.262 119.300 -0.131 0.000 2.634 581 C HA 0.179 5.094 4.460 0.759 0.000 0.418 581 C C -1.422 173.531 174.990 -0.061 0.000 1.373 581 C CA -0.889 58.038 59.018 -0.152 0.000 1.756 581 C CB -0.270 27.393 27.740 -0.129 0.000 2.589 581 C HN 0.355 nan 8.230 nan 0.000 0.602 582 P HA 0.104 nan 4.420 nan 0.000 0.278 582 P C 0.917 178.223 177.300 0.011 0.000 1.270 582 P CA 0.137 63.246 63.100 0.015 0.000 0.800 582 P CB 0.303 32.031 31.700 0.047 0.000 1.142 583 T N -1.392 113.175 114.554 0.022 0.000 2.942 583 T HA -0.092 4.713 4.350 0.759 0.000 0.265 583 T C 1.511 176.227 174.700 0.027 0.000 1.062 583 T CA 1.818 63.929 62.100 0.018 0.000 1.139 583 T CB -0.988 67.891 68.868 0.018 0.000 0.883 583 T HN 0.652 nan 8.240 nan 0.000 0.468 584 T N 0.246 114.824 114.554 0.040 0.000 3.155 584 T HA 0.109 4.914 4.350 0.759 0.000 0.264 584 T C 0.374 175.113 174.700 0.065 0.000 1.160 584 T CA 0.042 62.172 62.100 0.050 0.000 1.075 584 T CB -0.535 68.368 68.868 0.059 0.000 0.921 584 T HN 0.069 nan 8.240 nan 0.000 0.533 585 V N 0.812 120.761 119.914 0.059 0.000 2.588 585 V HA 0.555 5.130 4.120 0.759 0.000 0.304 585 V C -0.234 175.884 176.094 0.041 0.000 1.042 585 V CA -1.188 61.157 62.300 0.075 0.000 0.877 585 V CB 2.060 33.940 31.823 0.095 0.000 0.996 585 V HN 0.263 nan 8.190 nan 0.000 0.425 586 R N 2.546 123.075 120.500 0.048 0.000 2.494 586 R HA 0.752 5.547 4.340 0.759 0.000 0.305 586 R C -1.478 174.834 176.300 0.019 0.000 0.959 586 R CA -0.508 55.608 56.100 0.027 0.000 0.864 586 R CB 2.097 32.415 30.300 0.030 0.000 1.159 586 R HN 0.568 nan 8.270 nan 0.000 0.446 587 V N 5.828 125.740 119.914 -0.002 0.000 2.347 587 V HA 0.306 4.882 4.120 0.759 0.000 0.280 587 V C 0.300 176.384 176.094 -0.018 0.000 1.021 587 V CA -0.794 61.494 62.300 -0.019 0.000 0.847 587 V CB 1.293 33.094 31.823 -0.037 0.000 0.990 587 V HN 0.646 nan 8.190 nan 0.000 0.444 588 L N 5.496 126.707 121.223 -0.020 0.000 2.367 588 L HA 0.382 5.177 4.340 0.759 0.000 0.275 588 L C 0.586 177.447 176.870 -0.015 0.000 1.129 588 L CA 0.192 55.026 54.840 -0.010 0.000 0.839 588 L CB 0.588 42.647 42.059 -0.000 0.000 1.133 588 L HN 0.637 nan 8.230 nan 0.000 0.453 589 K N 4.359 124.755 120.400 -0.007 0.000 2.920 589 K HA 0.229 5.004 4.320 0.759 0.000 0.175 589 K C -0.877 175.723 176.600 0.000 0.000 1.099 589 K CA -0.522 55.761 56.287 -0.007 0.000 0.939 589 K CB 0.889 33.382 32.500 -0.012 0.000 1.148 589 K HN 0.520 nan 8.250 nan 0.000 0.613 590 E N -0.293 119.911 120.200 0.007 0.000 7.835 590 E HA -0.176 4.630 4.350 0.759 0.000 0.160 590 E C -2.631 173.974 176.600 0.008 0.000 1.465 590 E CA 0.267 56.672 56.400 0.009 0.000 2.539 590 E CB -1.329 28.374 29.700 0.006 0.000 1.573 590 E HN 0.270 nan 8.360 nan 0.000 0.447 591 P HA -0.069 nan 4.420 nan 0.000 0.252 591 P C 0.288 177.592 177.300 0.005 0.000 1.147 591 P CA 0.529 63.633 63.100 0.007 0.000 0.779 591 P CB -0.043 31.660 31.700 0.005 0.000 0.733 592 I N 0.000 120.574 120.570 0.006 0.000 2.984 592 I HA 0.000 4.625 4.170 0.759 0.000 0.288 592 I CA 0.000 61.303 61.300 0.005 0.000 1.566 592 I CB 0.000 38.004 38.000 0.007 0.000 1.214 592 I HN 0.000 nan 8.210 nan 0.000 0.494