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 3ogk_1_J 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 IELIPSRXXX XXXXXXXXXX DATA SEQUENCE XXHPAHILAY 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 58.204 58.200 0.007 0.000 1.107 12 S CB 0.000 63.203 63.200 0.006 0.000 0.593 13 C N 3.013 122.318 119.300 0.009 0.000 2.822 13 C HA 0.832 5.293 4.460 0.001 0.000 0.341 13 C C 0.375 175.371 174.990 0.011 0.000 1.301 13 C CA -0.350 58.674 59.018 0.010 0.000 1.706 13 C CB 1.235 28.982 27.740 0.011 0.000 2.178 13 C HN 1.070 nan 8.230 nan 0.000 0.481 14 V N 3.431 123.351 119.914 0.011 0.000 2.583 14 V HA 0.223 4.344 4.120 0.001 0.000 0.302 14 V C 1.014 177.117 176.094 0.016 0.000 1.033 14 V CA 0.660 62.967 62.300 0.012 0.000 1.194 14 V CB -0.986 30.845 31.823 0.013 0.000 0.879 14 V HN 1.033 nan 8.190 nan 0.000 0.482 15 A N 5.158 127.987 122.820 0.015 0.000 2.454 15 A HA 0.539 4.859 4.320 0.001 0.000 0.260 15 A C 0.738 178.336 177.584 0.024 0.000 1.106 15 A CA -0.226 51.821 52.037 0.017 0.000 0.780 15 A CB -0.085 18.922 19.000 0.012 0.000 1.044 15 A HN 0.915 nan 8.150 nan 0.000 0.498 16 T N 1.550 116.124 114.554 0.033 0.000 2.912 16 T HA 0.357 4.708 4.350 0.001 0.000 0.280 16 T C 1.703 176.440 174.700 0.061 0.000 0.989 16 T CA -0.244 61.886 62.100 0.049 0.000 0.995 16 T CB 1.117 70.021 68.868 0.059 0.000 1.077 16 T HN 0.443 nan 8.240 nan 0.000 0.531 17 V N 0.158 120.128 119.914 0.094 0.000 2.392 17 V HA -0.177 3.944 4.120 0.001 0.000 0.249 17 V C 2.214 178.380 176.094 0.119 0.000 1.059 17 V CA 2.036 64.411 62.300 0.126 0.000 1.051 17 V CB -0.999 30.968 31.823 0.240 0.000 0.658 17 V HN 0.921 nan 8.190 nan 0.000 0.455 18 D N 0.346 120.834 120.400 0.146 0.000 2.228 18 D HA -0.190 4.451 4.640 0.001 0.000 0.203 18 D C 1.604 177.937 176.300 0.056 0.000 0.988 18 D CA 1.168 55.244 54.000 0.127 0.000 0.864 18 D CB -0.143 40.735 40.800 0.130 0.000 0.928 18 D HN 0.459 nan 8.370 nan 0.000 0.469 19 D N -0.684 119.741 120.400 0.040 0.000 2.336 19 D HA -0.012 4.629 4.640 0.001 0.000 0.229 19 D C 0.933 177.231 176.300 -0.003 0.000 1.061 19 D CA 0.201 54.212 54.000 0.018 0.000 0.875 19 D CB 1.302 42.113 40.800 0.018 0.000 0.904 19 D HN 0.150 nan 8.370 nan 0.000 0.525 20 V N 0.079 119.983 119.914 -0.017 0.000 3.406 20 V HA -0.016 4.105 4.120 0.001 0.000 0.266 20 V C 1.290 177.328 176.094 -0.092 0.000 1.697 20 V CA -0.089 62.184 62.300 -0.045 0.000 1.046 20 V CB 0.769 32.570 31.823 -0.037 0.000 0.879 20 V HN -0.074 nan 8.190 nan 0.000 0.399 21 I N 1.149 121.642 120.570 -0.128 0.000 2.394 21 I HA -0.120 4.050 4.170 0.001 0.000 0.251 21 I C 2.042 178.002 176.117 -0.261 0.000 1.136 21 I CA 2.031 63.157 61.300 -0.291 0.000 1.425 21 I CB -0.198 37.493 38.000 -0.515 0.000 1.079 21 I HN 0.399 nan 8.210 nan 0.000 0.425 22 E N -0.308 119.796 120.200 -0.159 0.000 2.130 22 E HA -0.270 4.081 4.350 0.001 0.000 0.196 22 E C 2.104 178.664 176.600 -0.067 0.000 0.998 22 E CA 1.206 57.544 56.400 -0.105 0.000 0.806 22 E CB -0.106 29.561 29.700 -0.055 0.000 0.738 22 E HN 0.578 nan 8.360 nan 0.000 0.459 23 Q N -0.013 119.755 119.800 -0.054 0.000 2.062 23 Q HA -0.078 4.263 4.340 0.001 0.000 0.196 23 Q C 2.393 178.417 176.000 0.040 0.000 0.967 23 Q CA 0.870 56.674 55.803 0.002 0.000 0.832 23 Q CB 0.100 28.825 28.738 -0.022 0.000 0.899 23 Q HN 0.208 nan 8.270 nan 0.000 0.442 24 V N 1.123 120.997 119.914 -0.067 0.000 2.453 24 V HA -0.247 3.873 4.120 0.001 0.000 0.247 24 V C 2.351 178.459 176.094 0.024 0.000 1.048 24 V CA 1.449 63.697 62.300 -0.088 0.000 1.049 24 V CB -0.470 31.257 31.823 -0.161 0.000 0.672 24 V HN 0.312 nan 8.190 nan 0.000 0.457 25 M N 1.552 121.107 119.600 -0.076 0.000 2.106 25 M HA -0.201 4.280 4.480 0.001 0.000 0.259 25 M C 2.239 178.551 176.300 0.019 0.000 1.068 25 M CA 2.618 57.868 55.300 -0.083 0.000 1.100 25 M CB -0.930 31.577 32.600 -0.155 0.000 1.351 25 M HN 0.529 nan 8.290 nan 0.000 0.404 26 T N -2.341 112.250 114.554 0.063 0.000 3.139 26 T HA -0.128 4.223 4.350 0.001 0.000 0.267 26 T C 0.872 175.547 174.700 -0.042 0.000 1.164 26 T CA 0.979 63.087 62.100 0.013 0.000 1.075 26 T CB -0.727 68.127 68.868 -0.023 0.000 0.904 26 T HN 0.523 nan 8.240 nan 0.000 0.540 27 Y N 0.229 120.501 120.300 -0.047 0.000 2.445 27 Y HA 0.509 5.060 4.550 0.001 0.000 0.247 27 Y C 0.765 176.650 175.900 -0.025 0.000 1.129 27 Y CA -1.612 56.468 58.100 -0.033 0.000 1.251 27 Y CB 0.328 38.770 38.460 -0.030 0.000 1.176 27 Y HN 0.272 nan 8.280 nan 0.000 0.522 28 I N 0.227 120.861 120.570 0.107 0.000 2.312 28 I HA 0.085 4.256 4.170 0.001 0.000 0.291 28 I C 1.182 177.313 176.117 0.023 0.000 1.031 28 I CA 0.209 61.546 61.300 0.062 0.000 1.293 28 I CB 1.506 39.539 38.000 0.054 0.000 1.403 28 I HN -0.008 nan 8.210 nan 0.000 0.484 29 T N 2.518 117.081 114.554 0.014 0.000 3.026 29 T HA -0.001 4.349 4.350 0.001 0.000 0.245 29 T C 0.624 175.317 174.700 -0.011 0.000 1.004 29 T CA -0.004 62.087 62.100 -0.014 0.000 1.069 29 T CB 0.076 68.927 68.868 -0.028 0.000 1.005 29 T HN 0.592 nan 8.240 nan 0.000 0.472 30 D N 2.266 122.670 120.400 0.007 0.000 2.434 30 D HA 0.114 4.755 4.640 0.001 0.000 0.252 30 D C -1.677 174.634 176.300 0.019 0.000 1.185 30 D CA -1.852 52.154 54.000 0.010 0.000 0.886 30 D CB 1.629 42.443 40.800 0.024 0.000 1.148 30 D HN 0.127 nan 8.370 nan 0.000 0.483 31 P HA -0.143 nan 4.420 nan 0.000 0.218 31 P C 0.917 178.246 177.300 0.049 0.000 1.146 31 P CA 1.090 64.204 63.100 0.024 0.000 0.813 31 P CB 0.306 32.018 31.700 0.020 0.000 0.778 32 K N -0.791 119.639 120.400 0.050 0.000 2.365 32 K HA -0.023 4.298 4.320 0.001 0.000 0.197 32 K C 1.371 178.014 176.600 0.072 0.000 1.042 32 K CA 0.956 57.281 56.287 0.063 0.000 0.987 32 K CB -0.501 32.032 32.500 0.056 0.000 0.779 32 K HN 0.011 nan 8.250 nan 0.000 0.484 33 D N -0.511 119.931 120.400 0.070 0.000 2.240 33 D HA -0.007 4.633 4.640 0.001 0.000 0.206 33 D C 1.695 178.059 176.300 0.107 0.000 0.963 33 D CA 0.322 54.373 54.000 0.086 0.000 0.863 33 D CB 0.260 41.105 40.800 0.076 0.000 0.973 33 D HN -0.029 nan 8.370 nan 0.000 0.501 34 R N 1.049 121.603 120.500 0.091 0.000 2.073 34 R HA -0.115 4.226 4.340 0.001 0.000 0.234 34 R C 1.734 178.119 176.300 0.142 0.000 1.134 34 R CA 0.960 57.122 56.100 0.104 0.000 0.952 34 R CB -0.874 29.465 30.300 0.066 0.000 0.850 34 R HN 0.240 nan 8.270 nan 0.000 0.433 35 D N 0.122 120.600 120.400 0.129 0.000 2.127 35 D HA -0.151 4.490 4.640 0.001 0.000 0.190 35 D C 1.800 178.188 176.300 0.146 0.000 1.000 35 D CA 2.375 56.460 54.000 0.142 0.000 0.839 35 D CB 0.035 40.903 40.800 0.114 0.000 0.955 35 D HN 0.091 nan 8.370 nan 0.000 0.446 36 S N -0.225 115.552 115.700 0.128 0.000 2.356 36 S HA -0.182 4.289 4.470 0.001 0.000 0.223 36 S C 2.136 176.838 174.600 0.170 0.000 1.032 36 S CA 1.119 59.393 58.200 0.123 0.000 1.005 36 S CB -0.617 62.644 63.200 0.102 0.000 0.867 36 S HN 0.439 nan 8.310 nan 0.000 0.449 37 A N 2.072 125.032 122.820 0.232 0.000 1.948 37 A HA -0.167 4.153 4.320 0.001 0.000 0.220 37 A C 2.358 180.184 177.584 0.403 0.000 1.177 37 A CA 2.187 54.462 52.037 0.397 0.000 0.636 37 A CB -1.108 18.119 19.000 0.378 0.000 0.815 37 A HN 0.656 nan 8.150 nan 0.000 0.449 38 S N -0.817 115.062 115.700 0.298 0.000 2.474 38 S HA 0.044 4.514 4.470 0.001 0.000 0.235 38 S C 1.393 176.196 174.600 0.338 0.000 0.997 38 S CA 1.269 59.665 58.200 0.326 0.000 0.949 38 S CB -0.388 62.986 63.200 0.291 0.000 0.766 38 S HN 0.439 nan 8.310 nan 0.000 0.517 39 L N 1.494 122.848 121.223 0.218 0.000 2.640 39 L HA 0.285 4.626 4.340 0.001 0.000 0.230 39 L C 2.140 179.027 176.870 0.029 0.000 1.123 39 L CA 0.183 55.096 54.840 0.121 0.000 0.900 39 L CB 0.524 42.633 42.059 0.083 0.000 1.146 39 L HN 0.396 nan 8.230 nan 0.000 0.484 40 V N -1.968 117.938 119.914 -0.013 0.000 2.871 40 V HA 0.028 4.149 4.120 0.001 0.000 0.256 40 V C 0.642 176.589 176.094 -0.246 0.000 1.082 40 V CA 0.579 62.736 62.300 -0.239 0.000 1.105 40 V CB -0.429 31.009 31.823 -0.643 0.000 0.713 40 V HN 0.568 nan 8.190 nan 0.000 0.473 41 C N -2.604 116.640 119.300 -0.094 0.000 2.951 41 C HA 0.371 4.831 4.460 0.001 0.000 0.331 41 C C 1.135 176.194 174.990 0.116 0.000 1.256 41 C CA -0.431 58.563 59.018 -0.039 0.000 1.176 41 C CB 0.775 28.439 27.740 -0.127 0.000 1.349 41 C HN 0.420 nan 8.230 nan 0.000 0.473 42 R N 0.294 120.848 120.500 0.090 0.000 2.133 42 R HA -0.156 4.185 4.340 0.001 0.000 0.247 42 R C 2.429 178.891 176.300 0.271 0.000 1.151 42 R CA 2.273 58.461 56.100 0.146 0.000 0.971 42 R CB -0.252 30.093 30.300 0.074 0.000 0.866 42 R HN 0.738 nan 8.270 nan 0.000 0.447 43 R N -0.359 120.300 120.500 0.265 0.000 2.073 43 R HA -0.140 4.200 4.340 0.001 0.000 0.229 43 R C 1.747 178.267 176.300 0.368 0.000 1.120 43 R CA 1.337 57.613 56.100 0.294 0.000 0.967 43 R CB -0.063 30.412 30.300 0.292 0.000 0.862 43 R HN 0.239 nan 8.270 nan 0.000 0.436 44 W N -0.039 121.328 121.300 0.112 0.000 2.388 44 W HA -0.117 4.543 4.660 0.001 0.000 0.294 44 W C 1.938 178.526 176.519 0.116 0.000 1.212 44 W CA 0.412 57.815 57.345 0.097 0.000 1.271 44 W CB -1.016 28.499 29.460 0.092 0.000 1.126 44 W HN 0.053 nan 8.180 nan 0.000 0.535 45 F N 1.746 121.857 119.950 0.269 0.000 2.091 45 F HA -0.282 4.245 4.527 0.001 0.000 0.299 45 F C 2.312 178.181 175.800 0.114 0.000 1.103 45 F CA 2.453 60.547 58.000 0.156 0.000 1.228 45 F CB -0.486 38.573 39.000 0.097 0.000 0.984 45 F HN -0.194 nan 8.300 nan 0.000 0.477 46 K N 0.201 120.667 120.400 0.111 0.000 2.103 46 K HA -0.062 4.258 4.320 0.001 0.000 0.204 46 K C 2.110 178.668 176.600 -0.070 0.000 1.052 46 K CA 1.515 57.788 56.287 -0.024 0.000 0.945 46 K CB -0.203 32.370 32.500 0.122 0.000 0.722 46 K HN 0.374 nan 8.250 nan 0.000 0.443 47 I N 0.758 121.317 120.570 -0.018 0.000 2.353 47 I HA -0.232 3.938 4.170 0.001 0.000 0.248 47 I C 2.024 178.109 176.117 -0.053 0.000 1.119 47 I CA 1.334 62.606 61.300 -0.046 0.000 1.417 47 I CB -0.256 37.690 38.000 -0.091 0.000 1.078 47 I HN 0.275 nan 8.210 nan 0.000 0.421 48 D N 0.382 120.754 120.400 -0.046 0.000 2.097 48 D HA -0.246 4.394 4.640 0.001 0.000 0.195 48 D C 2.290 178.606 176.300 0.027 0.000 0.989 48 D CA 1.766 55.764 54.000 -0.002 0.000 0.827 48 D CB -0.037 40.792 40.800 0.048 0.000 0.966 48 D HN 0.139 nan 8.370 nan 0.000 0.456 49 S N -0.550 115.064 115.700 -0.144 0.000 2.380 49 S HA -0.262 4.209 4.470 0.001 0.000 0.229 49 S C 1.750 176.372 174.600 0.036 0.000 1.043 49 S CA 1.710 59.827 58.200 -0.138 0.000 1.038 49 S CB -0.494 62.408 63.200 -0.496 0.000 0.872 49 S HN 0.414 nan 8.310 nan 0.000 0.456 50 E N -0.440 119.753 120.200 -0.011 0.000 2.489 50 E HA 0.055 4.406 4.350 0.001 0.000 0.193 50 E C 1.454 178.066 176.600 0.021 0.000 1.057 50 E CA 0.928 57.336 56.400 0.014 0.000 0.866 50 E CB 0.312 30.009 29.700 -0.005 0.000 0.916 50 E HN 0.855 nan 8.360 nan 0.000 0.500 51 T N -2.728 111.838 114.554 0.021 0.000 2.975 51 T HA 0.186 4.537 4.350 0.001 0.000 0.261 51 T C 0.779 175.470 174.700 -0.015 0.000 0.984 51 T CA -0.562 61.536 62.100 -0.002 0.000 0.911 51 T CB 0.205 69.062 68.868 -0.019 0.000 1.127 51 T HN -0.182 nan 8.240 nan 0.000 0.514 52 R N 2.214 122.711 120.500 -0.005 0.000 2.538 52 R HA 0.166 4.507 4.340 0.001 0.000 0.282 52 R C 0.961 177.183 176.300 -0.129 0.000 1.009 52 R CA 0.557 56.586 56.100 -0.118 0.000 1.063 52 R CB 0.136 30.234 30.300 -0.337 0.000 0.945 52 R HN 0.417 nan 8.270 nan 0.000 0.414 53 E N 1.306 121.438 120.200 -0.114 0.000 2.244 53 E HA -0.010 4.340 4.350 0.001 0.000 0.196 53 E C -0.138 176.427 176.600 -0.058 0.000 0.939 53 E CA 0.247 56.607 56.400 -0.067 0.000 0.884 53 E CB 0.200 29.877 29.700 -0.039 0.000 0.850 53 E HN 0.504 nan 8.360 nan 0.000 0.481 54 H N 0.359 119.319 119.070 -0.183 0.000 2.600 54 H HA 0.443 5.000 4.556 0.001 0.000 0.357 54 H C -1.535 173.650 175.328 -0.240 0.000 1.106 54 H CA -0.506 55.438 56.048 -0.173 0.000 1.193 54 H CB 1.420 31.109 29.762 -0.123 0.000 1.594 54 H HN -0.186 nan 8.280 nan 0.000 0.526 55 V N 4.370 123.866 119.914 -0.698 0.000 2.709 55 V HA 0.275 4.395 4.120 0.001 0.000 0.308 55 V C -0.115 175.681 176.094 -0.496 0.000 1.062 55 V CA -0.648 61.382 62.300 -0.450 0.000 0.901 55 V CB 2.152 33.771 31.823 -0.340 0.000 1.003 55 V HN 0.870 nan 8.190 nan 0.000 0.425 56 T N 5.960 120.415 114.554 -0.164 0.000 2.797 56 T HA 0.595 4.945 4.350 0.001 0.000 0.279 56 T C -0.336 174.314 174.700 -0.085 0.000 0.991 56 T CA -0.346 61.690 62.100 -0.106 0.000 0.979 56 T CB 1.104 69.993 68.868 0.034 0.000 0.943 56 T HN 0.476 nan 8.240 nan 0.000 0.444 57 M N 2.682 122.202 119.600 -0.133 0.000 2.072 57 M HA 0.391 4.872 4.480 0.001 0.000 0.331 57 M C 1.112 177.352 176.300 -0.101 0.000 1.004 57 M CA -0.797 54.444 55.300 -0.098 0.000 0.952 57 M CB 1.564 34.060 32.600 -0.174 0.000 1.511 57 M HN 0.811 nan 8.290 nan 0.000 0.422 58 A N 4.374 127.170 122.820 -0.040 0.000 2.121 58 A HA 0.119 4.440 4.320 0.001 0.000 0.218 58 A C 0.716 178.276 177.584 -0.040 0.000 1.154 58 A CA 0.983 52.987 52.037 -0.056 0.000 0.679 58 A CB 0.243 19.225 19.000 -0.030 0.000 0.795 58 A HN 0.725 nan 8.150 nan 0.000 0.458 59 L N 0.054 121.277 121.223 -0.000 0.000 2.541 59 L HA 0.172 4.513 4.340 0.001 0.000 0.266 59 L C 0.988 177.843 176.870 -0.024 0.000 0.966 59 L CA -0.700 54.153 54.840 0.022 0.000 0.871 59 L CB 1.512 43.634 42.059 0.105 0.000 1.232 59 L HN 0.460 nan 8.230 nan 0.000 0.408 60 C N 1.882 121.093 119.300 -0.149 0.000 2.409 60 C HA -0.150 4.311 4.460 0.001 0.000 0.284 60 C C 1.680 176.678 174.990 0.014 0.000 1.354 60 C CA 0.407 59.286 59.018 -0.233 0.000 1.787 60 C CB -1.483 25.994 27.740 -0.438 0.000 1.900 60 C HN 0.774 nan 8.230 nan 0.000 0.520 61 Y N 0.669 121.056 120.300 0.145 0.000 2.462 61 Y HA 0.092 4.643 4.550 0.001 0.000 0.293 61 Y C 2.668 178.719 175.900 0.251 0.000 1.195 61 Y CA 0.635 58.843 58.100 0.181 0.000 1.276 61 Y CB -0.167 38.334 38.460 0.070 0.000 1.082 61 Y HN 0.324 nan 8.280 nan 0.000 0.514 62 T N -0.399 114.364 114.554 0.348 0.000 3.035 62 T HA 0.378 4.729 4.350 0.001 0.000 0.259 62 T C 0.467 175.362 174.700 0.326 0.000 1.078 62 T CA 0.649 62.961 62.100 0.353 0.000 1.132 62 T CB -0.021 69.012 68.868 0.275 0.000 0.900 62 T HN 0.256 nan 8.240 nan 0.000 0.480 63 A N 0.486 123.508 122.820 0.336 0.000 2.587 63 A HA 0.629 4.950 4.320 0.001 0.000 0.293 63 A C -0.057 177.711 177.584 0.308 0.000 1.087 63 A CA -0.748 51.468 52.037 0.300 0.000 0.692 63 A CB 0.918 20.080 19.000 0.271 0.000 1.291 63 A HN 0.264 nan 8.150 nan 0.000 0.407 64 T N -0.623 114.026 114.554 0.158 0.000 2.899 64 T HA 0.468 4.819 4.350 0.001 0.000 0.295 64 T C -1.989 172.613 174.700 -0.163 0.000 1.033 64 T CA -1.172 60.915 62.100 -0.023 0.000 1.084 64 T CB 0.769 69.615 68.868 -0.037 0.000 0.979 64 T HN 0.245 nan 8.240 nan 0.000 0.532 65 P HA -0.066 nan 4.420 nan 0.000 0.218 65 P C 1.119 178.319 177.300 -0.167 0.000 1.148 65 P CA 0.975 63.671 63.100 -0.673 0.000 0.822 65 P CB -0.006 31.111 31.700 -0.971 0.000 0.784 66 D N -0.323 119.992 120.400 -0.141 0.000 2.104 66 D HA -0.212 4.429 4.640 0.001 0.000 0.194 66 D C 2.127 178.430 176.300 0.005 0.000 0.994 66 D CA 1.185 55.155 54.000 -0.050 0.000 0.830 66 D CB -0.345 40.428 40.800 -0.044 0.000 0.959 66 D HN -0.078 nan 8.370 nan 0.000 0.452 67 R N -0.549 119.966 120.500 0.026 0.000 2.081 67 R HA -0.137 4.204 4.340 0.001 0.000 0.235 67 R C 2.355 178.701 176.300 0.076 0.000 1.131 67 R CA 1.192 57.326 56.100 0.056 0.000 0.960 67 R CB -0.516 29.833 30.300 0.082 0.000 0.856 67 R HN 0.305 nan 8.270 nan 0.000 0.436 68 L N 0.837 122.152 121.223 0.155 0.000 1.990 68 L HA -0.189 4.152 4.340 0.001 0.000 0.213 68 L C 2.255 179.229 176.870 0.173 0.000 1.072 68 L CA 2.577 57.556 54.840 0.232 0.000 0.755 68 L CB -0.640 41.657 42.059 0.397 0.000 0.889 68 L HN 0.362 nan 8.230 nan 0.000 0.432 69 S N -1.050 114.728 115.700 0.129 0.000 2.496 69 S HA -0.126 4.344 4.470 0.001 0.000 0.224 69 S C 2.117 176.749 174.600 0.053 0.000 0.996 69 S CA 0.505 58.768 58.200 0.105 0.000 0.927 69 S CB -0.550 62.699 63.200 0.082 0.000 0.774 69 S HN 0.622 nan 8.310 nan 0.000 0.524 70 R N 1.428 121.943 120.500 0.025 0.000 2.062 70 R HA 0.053 4.394 4.340 0.001 0.000 0.229 70 R C 2.499 178.767 176.300 -0.054 0.000 1.128 70 R CA 1.287 57.388 56.100 0.001 0.000 0.960 70 R CB -0.341 29.965 30.300 0.010 0.000 0.855 70 R HN 0.374 nan 8.270 nan 0.000 0.432 71 R N -0.133 120.280 120.500 -0.144 0.000 2.075 71 R HA -0.038 4.303 4.340 0.001 0.000 0.232 71 R C -0.020 175.909 176.300 -0.618 0.000 1.126 71 R CA 1.588 57.416 56.100 -0.454 0.000 0.963 71 R CB 0.010 29.894 30.300 -0.693 0.000 0.858 71 R HN 0.313 nan 8.270 nan 0.000 0.435 72 F N -0.436 119.517 119.950 0.005 0.000 2.564 72 F HA 0.364 4.892 4.527 0.001 0.000 0.329 72 F C -1.804 173.995 175.800 -0.001 0.000 1.458 72 F CA -2.195 55.796 58.000 -0.015 0.000 1.117 72 F CB 1.931 40.926 39.000 -0.008 0.000 1.383 72 F HN -0.006 nan 8.300 nan 0.000 0.571 73 P HA -0.145 nan 4.420 nan 0.000 0.220 73 P C -0.046 177.302 177.300 0.080 0.000 1.144 73 P CA 1.547 64.700 63.100 0.088 0.000 0.800 73 P CB 0.092 31.823 31.700 0.051 0.000 0.772 74 N N -1.302 117.450 118.700 0.086 0.000 2.338 74 N HA 0.170 4.911 4.740 0.001 0.000 0.251 74 N C -0.219 175.309 175.510 0.031 0.000 1.199 74 N CA -0.344 52.736 53.050 0.049 0.000 0.879 74 N CB 0.005 38.512 38.487 0.033 0.000 1.159 74 N HN 0.037 nan 8.380 nan 0.000 0.514 75 L N 1.035 122.282 121.223 0.040 0.000 2.605 75 L HA -0.075 4.266 4.340 0.001 0.000 0.296 75 L C 1.380 178.239 176.870 -0.017 0.000 1.255 75 L CA 0.495 55.327 54.840 -0.014 0.000 0.879 75 L CB 0.534 42.585 42.059 -0.013 0.000 1.124 75 L HN 0.315 nan 8.230 nan 0.000 0.507 76 R N 0.868 121.348 120.500 -0.033 0.000 2.250 76 R HA 0.162 4.502 4.340 0.001 0.000 0.194 76 R C 0.245 176.528 176.300 -0.028 0.000 0.927 76 R CA 0.246 56.333 56.100 -0.022 0.000 1.052 76 R CB 0.490 30.780 30.300 -0.017 0.000 1.055 76 R HN 0.560 nan 8.270 nan 0.000 0.537 77 S N 0.693 116.363 115.700 -0.050 0.000 2.619 77 S HA 0.545 5.016 4.470 0.001 0.000 0.280 77 S C -1.667 172.790 174.600 -0.238 0.000 1.150 77 S CA -0.668 57.499 58.200 -0.054 0.000 0.978 77 S CB 0.835 64.106 63.200 0.118 0.000 1.041 77 S HN 0.057 nan 8.310 nan 0.000 0.485 78 L N 4.210 125.303 121.223 -0.216 0.000 2.354 78 L HA 0.777 5.118 4.340 0.001 0.000 0.269 78 L C -0.983 175.737 176.870 -0.250 0.000 1.005 78 L CA -0.247 54.422 54.840 -0.285 0.000 0.819 78 L CB 1.783 43.752 42.059 -0.150 0.000 1.311 78 L HN 0.737 nan 8.230 nan 0.000 0.423 79 K N 5.185 125.417 120.400 -0.281 0.000 2.637 79 K HA 0.567 4.888 4.320 0.001 0.000 0.248 79 K C -2.180 174.276 176.600 -0.240 0.000 0.971 79 K CA -0.470 55.688 56.287 -0.216 0.000 0.858 79 K CB 0.987 33.386 32.500 -0.169 0.000 1.170 79 K HN 0.688 nan 8.250 nan 0.000 0.443 80 L N 3.846 124.951 121.223 -0.197 0.000 2.322 80 L HA 0.548 4.889 4.340 0.001 0.000 0.281 80 L C -0.463 176.297 176.870 -0.184 0.000 1.014 80 L CA -1.012 53.676 54.840 -0.253 0.000 0.815 80 L CB 1.833 43.661 42.059 -0.384 0.000 1.247 80 L HN 0.472 nan 8.230 nan 0.000 0.421 81 K N 0.821 121.104 120.400 -0.196 0.000 2.156 81 K HA 0.649 4.970 4.320 0.001 0.000 0.254 81 K C 0.356 176.886 176.600 -0.117 0.000 0.950 81 K CA -0.420 55.781 56.287 -0.144 0.000 0.849 81 K CB 2.348 34.759 32.500 -0.149 0.000 1.100 81 K HN 0.713 nan 8.250 nan 0.000 0.434 82 G N 1.656 110.421 108.800 -0.058 0.000 2.487 82 G HA2 0.090 4.051 3.960 0.001 0.000 0.212 82 G HA3 0.090 4.051 3.960 0.001 0.000 0.212 82 G C -0.534 174.464 174.900 0.163 0.000 1.988 82 G CA -0.297 44.827 45.100 0.040 0.000 0.724 82 G HN 0.397 nan 8.290 nan 0.000 0.755 83 K N 1.829 122.291 120.400 0.104 0.000 2.485 83 K HA 0.189 4.510 4.320 0.001 0.000 0.277 83 K C -2.328 174.083 176.600 -0.315 0.000 0.990 83 K CA -0.932 55.214 56.287 -0.235 0.000 0.994 83 K CB 0.522 32.918 32.500 -0.173 0.000 0.906 83 K HN 0.097 nan 8.250 nan 0.000 0.488 84 P HA -0.049 nan 4.420 nan 0.000 0.266 84 P C 0.230 177.308 177.300 -0.370 0.000 1.193 84 P CA 0.132 63.022 63.100 -0.350 0.000 0.770 84 P CB 0.517 31.901 31.700 -0.527 0.000 0.836 85 R N 2.586 122.903 120.500 -0.305 0.000 2.154 85 R HA -0.240 4.100 4.340 0.001 0.000 0.248 85 R C 1.944 178.131 176.300 -0.188 0.000 1.155 85 R CA 1.879 57.848 56.100 -0.218 0.000 0.979 85 R CB -0.781 29.427 30.300 -0.153 0.000 0.869 85 R HN 0.573 nan 8.270 nan 0.000 0.452 86 A N 0.335 122.873 122.820 -0.470 0.000 2.131 86 A HA -0.129 4.191 4.320 0.001 0.000 0.220 86 A C 2.181 179.634 177.584 -0.217 0.000 1.158 86 A CA 1.576 53.331 52.037 -0.468 0.000 0.665 86 A CB -0.456 17.740 19.000 -1.341 0.000 0.795 86 A HN 0.466 nan 8.150 nan 0.000 0.460 87 A N -0.509 122.143 122.820 -0.280 0.000 2.067 87 A HA -0.009 4.312 4.320 0.001 0.000 0.219 87 A C 1.995 179.480 177.584 -0.165 0.000 1.158 87 A CA 1.337 53.251 52.037 -0.205 0.000 0.661 87 A CB -0.525 18.343 19.000 -0.220 0.000 0.801 87 A HN 0.546 nan 8.150 nan 0.000 0.452 88 M N -1.517 117.954 119.600 -0.216 0.000 2.686 88 M HA 0.063 4.544 4.480 0.001 0.000 0.246 88 M C -0.200 175.679 176.300 -0.702 0.000 1.096 88 M CA 0.870 55.904 55.300 -0.443 0.000 1.076 88 M CB -0.129 32.132 32.600 -0.565 0.000 1.504 88 M HN 0.438 nan 8.290 nan 0.000 0.524 89 F N -0.240 119.641 119.950 -0.115 0.000 2.835 89 F HA 0.326 4.853 4.527 0.001 0.000 0.342 89 F C 0.358 176.110 175.800 -0.080 0.000 1.202 89 F CA -0.781 57.170 58.000 -0.082 0.000 1.240 89 F CB -0.179 38.776 39.000 -0.074 0.000 1.005 89 F HN 0.098 nan 8.300 nan 0.000 0.507 90 N N 1.548 120.253 118.700 0.009 0.000 2.710 90 N HA -0.211 4.530 4.740 0.001 0.000 0.249 90 N C 0.663 176.153 175.510 -0.034 0.000 1.059 90 N CA 0.739 53.788 53.050 -0.002 0.000 0.720 90 N CB -1.061 37.441 38.487 0.025 0.000 0.983 90 N HN 0.461 nan 8.380 nan 0.000 0.544 91 L N -1.108 120.088 121.223 -0.046 0.000 2.556 91 L HA 0.238 4.578 4.340 0.001 0.000 0.226 91 L C 0.707 177.626 176.870 0.082 0.000 1.089 91 L CA 0.396 55.196 54.840 -0.066 0.000 0.864 91 L CB 0.225 42.268 42.059 -0.028 0.000 1.067 91 L HN 0.082 nan 8.230 nan 0.000 0.477 92 I N 0.958 121.526 120.570 -0.004 0.000 2.377 92 I HA 0.355 4.526 4.170 0.001 0.000 0.293 92 I C -2.031 174.135 176.117 0.082 0.000 0.987 92 I CA -2.526 58.785 61.300 0.018 0.000 1.185 92 I CB 1.071 38.952 38.000 -0.199 0.000 1.341 92 I HN -0.233 nan 8.210 nan 0.000 0.455 93 P HA 0.041 nan 4.420 nan 0.000 0.267 93 P C 0.701 178.102 177.300 0.168 0.000 1.200 93 P CA 0.024 63.231 63.100 0.178 0.000 0.772 93 P CB 0.944 32.781 31.700 0.228 0.000 0.855 94 E N 3.011 123.283 120.200 0.120 0.000 2.110 94 E HA -0.210 4.141 4.350 0.001 0.000 0.193 94 E C 1.099 177.767 176.600 0.113 0.000 0.988 94 E CA 1.639 58.092 56.400 0.088 0.000 0.804 94 E CB -0.506 29.227 29.700 0.055 0.000 0.745 94 E HN 0.432 nan 8.360 nan 0.000 0.458 95 N N -0.419 118.365 118.700 0.141 0.000 2.370 95 N HA -0.077 4.664 4.740 0.001 0.000 0.198 95 N C 1.194 176.806 175.510 0.170 0.000 1.156 95 N CA 0.269 53.406 53.050 0.144 0.000 0.839 95 N CB -1.123 37.453 38.487 0.148 0.000 0.989 95 N HN 0.334 nan 8.380 nan 0.000 0.468 96 W N 1.741 123.059 121.300 0.031 0.000 2.321 96 W HA 0.013 4.674 4.660 0.001 0.000 0.306 96 W C 0.654 177.207 176.519 0.057 0.000 1.217 96 W CA 2.324 59.703 57.345 0.056 0.000 1.257 96 W CB -0.104 29.395 29.460 0.066 0.000 1.145 96 W HN 0.281 nan 8.180 nan 0.000 0.509 97 G N -3.359 105.425 108.800 -0.025 0.000 2.356 97 G HA2 0.397 4.358 3.960 0.001 0.000 0.288 97 G HA3 0.397 4.358 3.960 0.001 0.000 0.288 97 G C 0.192 175.044 174.900 -0.081 0.000 1.302 97 G CA -0.054 44.871 45.100 -0.292 0.000 0.887 97 G HN 1.025 nan 8.290 nan 0.000 0.521 98 G N -1.699 107.107 108.800 0.010 0.000 2.141 98 G HA2 -0.069 3.892 3.960 0.001 0.000 0.195 98 G HA3 -0.069 3.892 3.960 0.001 0.000 0.195 98 G C 0.146 174.956 174.900 -0.150 0.000 1.012 98 G CA 0.367 45.438 45.100 -0.047 0.000 0.696 98 G HN 1.376 nan 8.290 nan 0.000 0.508 99 Y N -0.567 119.761 120.300 0.046 0.000 2.569 99 Y HA 0.290 4.841 4.550 0.001 0.000 0.332 99 Y C 1.654 177.557 175.900 0.005 0.000 1.120 99 Y CA 0.521 58.636 58.100 0.026 0.000 1.416 99 Y CB 1.495 39.987 38.460 0.053 0.000 1.210 99 Y HN -0.001 nan 8.280 nan 0.000 0.528 100 V N 3.107 123.040 119.914 0.032 0.000 3.306 100 V HA -0.172 3.949 4.120 0.001 0.000 0.264 100 V C 1.995 178.122 176.094 0.054 0.000 1.149 100 V CA 1.953 64.183 62.300 -0.117 0.000 1.143 100 V CB -0.366 31.099 31.823 -0.596 0.000 0.767 100 V HN 1.059 nan 8.190 nan 0.000 0.476 101 T N -0.157 114.448 114.554 0.083 0.000 2.777 101 T HA -0.040 4.310 4.350 0.001 0.000 0.266 101 T C 0.033 174.743 174.700 0.017 0.000 1.040 101 T CA 1.444 63.571 62.100 0.044 0.000 1.141 101 T CB -1.084 67.801 68.868 0.029 0.000 0.868 101 T HN 0.436 nan 8.240 nan 0.000 0.444 102 P HA -0.009 nan 4.420 nan 0.000 0.218 102 P C 0.673 177.811 177.300 -0.270 0.000 1.148 102 P CA 1.073 64.058 63.100 -0.192 0.000 0.822 102 P CB -0.357 31.151 31.700 -0.319 0.000 0.784 103 W N -0.208 121.086 121.300 -0.010 0.000 2.388 103 W HA -0.084 4.577 4.660 0.001 0.000 0.294 103 W C 2.336 178.883 176.519 0.047 0.000 1.212 103 W CA 0.979 58.336 57.345 0.020 0.000 1.271 103 W CB -1.470 28.003 29.460 0.022 0.000 1.126 103 W HN -0.171 nan 8.180 nan 0.000 0.535 104 V N -0.336 119.711 119.914 0.223 0.000 2.667 104 V HA -0.184 3.936 4.120 0.001 0.000 0.252 104 V C 2.107 178.254 176.094 0.088 0.000 1.065 104 V CA 2.478 64.881 62.300 0.172 0.000 1.083 104 V CB -1.019 30.893 31.823 0.149 0.000 0.692 104 V HN 0.280 nan 8.190 nan 0.000 0.468 105 T N -0.999 113.576 114.554 0.036 0.000 2.857 105 T HA -0.184 4.167 4.350 0.001 0.000 0.266 105 T C 1.828 176.530 174.700 0.004 0.000 1.048 105 T CA 1.779 63.882 62.100 0.005 0.000 1.139 105 T CB -0.376 68.478 68.868 -0.024 0.000 0.874 105 T HN 0.595 nan 8.240 nan 0.000 0.455 106 E N 0.894 121.089 120.200 -0.007 0.000 2.077 106 E HA 0.005 4.355 4.350 0.001 0.000 0.193 106 E C 2.002 178.637 176.600 0.057 0.000 0.989 106 E CA 1.129 57.529 56.400 0.000 0.000 0.800 106 E CB -0.639 29.036 29.700 -0.040 0.000 0.746 106 E HN 0.705 nan 8.360 nan 0.000 0.452 107 I N -0.077 120.555 120.570 0.105 0.000 2.208 107 I HA -0.304 3.866 4.170 0.001 0.000 0.245 107 I C 2.391 178.544 176.117 0.061 0.000 1.097 107 I CA 1.101 62.463 61.300 0.102 0.000 1.363 107 I CB -0.326 37.754 38.000 0.133 0.000 1.051 107 I HN 0.079 nan 8.210 nan 0.000 0.413 108 S N 0.693 116.422 115.700 0.047 0.000 2.365 108 S HA -0.239 4.232 4.470 0.001 0.000 0.225 108 S C 1.650 176.262 174.600 0.019 0.000 1.039 108 S CA 2.213 60.428 58.200 0.026 0.000 1.033 108 S CB -0.516 62.693 63.200 0.015 0.000 0.887 108 S HN 0.543 nan 8.310 nan 0.000 0.447 109 N N 0.230 118.940 118.700 0.017 0.000 2.368 109 N HA 0.113 4.854 4.740 0.001 0.000 0.176 109 N C 0.777 176.297 175.510 0.018 0.000 1.021 109 N CA 0.666 53.724 53.050 0.012 0.000 0.888 109 N CB 0.146 38.635 38.487 0.003 0.000 0.995 109 N HN 0.258 nan 8.380 nan 0.000 0.437 110 N N -0.279 118.438 118.700 0.028 0.000 2.113 110 N HA 0.177 4.918 4.740 0.001 0.000 0.223 110 N C -0.542 174.996 175.510 0.047 0.000 1.310 110 N CA 0.137 53.206 53.050 0.033 0.000 0.896 110 N CB 1.270 39.775 38.487 0.030 0.000 1.097 110 N HN 0.065 nan 8.380 nan 0.000 0.507 111 L N 1.326 122.582 121.223 0.054 0.000 2.843 111 L HA 0.375 4.716 4.340 0.001 0.000 0.234 111 L C 1.018 177.913 176.870 0.041 0.000 1.264 111 L CA -0.176 54.700 54.840 0.059 0.000 1.052 111 L CB 0.555 42.661 42.059 0.079 0.000 1.372 111 L HN -0.282 nan 8.230 nan 0.000 0.466 112 R N -0.081 120.439 120.500 0.032 0.000 2.357 112 R HA -0.097 4.244 4.340 0.001 0.000 0.202 112 R C 1.538 177.849 176.300 0.018 0.000 1.047 112 R CA 0.627 56.741 56.100 0.023 0.000 1.034 112 R CB -0.111 30.201 30.300 0.019 0.000 0.875 112 R HN 0.378 nan 8.270 nan 0.000 0.473 113 Q N -0.874 118.938 119.800 0.019 0.000 2.217 113 Q HA 0.199 4.540 4.340 0.001 0.000 0.217 113 Q C -0.778 175.224 176.000 0.004 0.000 0.844 113 Q CA -0.170 55.639 55.803 0.011 0.000 0.957 113 Q CB 0.581 29.326 28.738 0.011 0.000 1.127 113 Q HN 0.092 nan 8.270 nan 0.000 0.503 114 L N 1.700 122.927 121.223 0.007 0.000 2.410 114 L HA 0.099 4.440 4.340 0.001 0.000 0.273 114 L C 0.662 177.525 176.870 -0.011 0.000 1.144 114 L CA 0.886 55.724 54.840 -0.004 0.000 0.863 114 L CB 0.657 42.719 42.059 0.004 0.000 1.140 114 L HN 0.173 nan 8.230 nan 0.000 0.463 115 K N 1.255 121.643 120.400 -0.020 0.000 2.440 115 K HA 0.281 4.602 4.320 0.001 0.000 0.207 115 K C 0.104 176.683 176.600 -0.035 0.000 1.112 115 K CA -0.145 56.129 56.287 -0.021 0.000 1.036 115 K CB 0.592 33.083 32.500 -0.016 0.000 0.935 115 K HN 0.405 nan 8.250 nan 0.000 0.564 116 S N 0.715 116.386 115.700 -0.047 0.000 2.614 116 S HA 0.483 4.954 4.470 0.001 0.000 0.275 116 S C -1.468 173.065 174.600 -0.112 0.000 1.161 116 S CA -0.541 57.618 58.200 -0.068 0.000 0.969 116 S CB 1.858 65.037 63.200 -0.034 0.000 1.059 116 S HN 0.036 nan 8.310 nan 0.000 0.482 117 V N 5.150 124.951 119.914 -0.189 0.000 2.588 117 V HA 0.527 4.648 4.120 0.001 0.000 0.304 117 V C -0.650 175.201 176.094 -0.404 0.000 1.042 117 V CA -0.673 61.415 62.300 -0.355 0.000 0.877 117 V CB 1.624 33.119 31.823 -0.547 0.000 0.996 117 V HN 1.007 nan 8.190 nan 0.000 0.425 118 H N 4.602 123.383 119.070 -0.482 0.000 2.800 118 H HA 0.606 5.163 4.556 0.001 0.000 0.322 118 H C -1.688 173.465 175.328 -0.291 0.000 0.979 118 H CA -0.727 55.121 56.048 -0.333 0.000 1.277 118 H CB 0.871 30.541 29.762 -0.154 0.000 1.484 118 H HN 0.496 nan 8.280 nan 0.000 0.512 119 F N 3.682 123.753 119.950 0.202 0.000 2.420 119 F HA 0.414 4.941 4.527 0.001 0.000 0.342 119 F C 0.284 176.162 175.800 0.130 0.000 1.113 119 F CA -0.821 57.213 58.000 0.057 0.000 1.059 119 F CB 1.466 40.464 39.000 -0.003 0.000 1.128 119 F HN 0.457 nan 8.300 nan 0.000 0.475 120 R N 2.751 123.356 120.500 0.175 0.000 2.476 120 R HA 0.518 4.859 4.340 0.001 0.000 0.305 120 R C -0.272 176.040 176.300 0.019 0.000 0.965 120 R CA -0.638 55.514 56.100 0.087 0.000 0.867 120 R CB 0.685 30.946 30.300 -0.065 0.000 1.176 120 R HN 0.754 nan 8.270 nan 0.000 0.447 121 R N 3.427 123.943 120.500 0.027 0.000 3.267 121 R HA -0.168 4.173 4.340 0.001 0.000 0.254 121 R C -0.703 175.599 176.300 0.003 0.000 0.993 121 R CA 1.019 57.115 56.100 -0.007 0.000 0.670 121 R CB -1.123 29.143 30.300 -0.058 0.000 1.125 121 R HN 0.575 nan 8.270 nan 0.000 0.434 122 M N 0.500 120.110 119.600 0.017 0.000 2.716 122 M HA 0.482 4.963 4.480 0.001 0.000 0.307 122 M C 0.326 176.614 176.300 -0.020 0.000 1.223 122 M CA -1.145 54.137 55.300 -0.031 0.000 0.871 122 M CB 1.797 34.333 32.600 -0.106 0.000 1.739 122 M HN -0.090 nan 8.290 nan 0.000 0.475 123 I N 2.776 123.300 120.570 -0.077 0.000 2.337 123 I HA 0.275 4.445 4.170 0.001 0.000 0.291 123 I C -0.426 175.703 176.117 0.021 0.000 1.046 123 I CA -0.331 60.953 61.300 -0.028 0.000 1.324 123 I CB 0.263 38.170 38.000 -0.155 0.000 1.409 123 I HN 0.288 nan 8.210 nan 0.000 0.494 124 V N 6.109 126.088 119.914 0.109 0.000 2.444 124 V HA 0.320 4.441 4.120 0.001 0.000 0.294 124 V C 0.428 176.649 176.094 0.212 0.000 1.022 124 V CA -0.556 61.789 62.300 0.074 0.000 0.850 124 V CB 1.839 33.662 31.823 0.000 0.000 0.992 124 V HN 0.904 nan 8.190 nan 0.000 0.426 125 S N 2.061 117.850 115.700 0.149 0.000 2.693 125 S HA 0.337 4.807 4.470 0.001 0.000 0.276 125 S C 0.629 175.315 174.600 0.142 0.000 1.192 125 S CA -0.533 57.767 58.200 0.167 0.000 0.994 125 S CB 1.411 64.684 63.200 0.121 0.000 1.012 125 S HN 0.611 nan 8.310 nan 0.000 0.550 126 D N 0.050 120.536 120.400 0.144 0.000 2.178 126 D HA -0.061 4.580 4.640 0.001 0.000 0.201 126 D C 1.673 178.011 176.300 0.063 0.000 0.980 126 D CA 0.734 54.800 54.000 0.109 0.000 0.842 126 D CB -0.356 40.505 40.800 0.103 0.000 0.948 126 D HN 0.426 nan 8.370 nan 0.000 0.472 127 L N 1.353 122.610 121.223 0.056 0.000 2.027 127 L HA -0.151 4.189 4.340 0.001 0.000 0.206 127 L C 1.364 178.250 176.870 0.026 0.000 1.074 127 L CA 1.898 56.758 54.840 0.034 0.000 0.745 127 L CB -0.712 41.364 42.059 0.028 0.000 0.898 127 L HN -0.039 nan 8.230 nan 0.000 0.433 128 D N -0.518 119.903 120.400 0.034 0.000 2.183 128 D HA -0.209 4.431 4.640 0.001 0.000 0.203 128 D C 2.076 178.394 176.300 0.029 0.000 0.969 128 D CA 1.650 55.667 54.000 0.027 0.000 0.842 128 D CB -0.795 40.017 40.800 0.021 0.000 0.957 128 D HN 0.536 nan 8.370 nan 0.000 0.484 129 L N -1.527 119.707 121.223 0.020 0.000 2.341 129 L HA 0.175 4.516 4.340 0.001 0.000 0.214 129 L C 1.680 178.550 176.870 -0.001 0.000 1.115 129 L CA 1.485 56.330 54.840 0.007 0.000 0.820 129 L CB -0.621 41.413 42.059 -0.041 0.000 0.944 129 L HN -0.188 nan 8.230 nan 0.000 0.452 130 D N 0.983 121.384 120.400 0.001 0.000 2.117 130 D HA -0.189 4.452 4.640 0.001 0.000 0.197 130 D C 2.351 178.612 176.300 -0.065 0.000 0.987 130 D CA 1.486 55.470 54.000 -0.027 0.000 0.829 130 D CB 0.123 40.918 40.800 -0.009 0.000 0.961 130 D HN 0.249 nan 8.370 nan 0.000 0.460 131 R N -0.182 120.300 120.500 -0.030 0.000 2.081 131 R HA -0.057 4.284 4.340 0.001 0.000 0.235 131 R C 2.437 178.724 176.300 -0.022 0.000 1.131 131 R CA 0.709 56.791 56.100 -0.029 0.000 0.960 131 R CB -0.421 29.877 30.300 -0.004 0.000 0.856 131 R HN 0.295 nan 8.270 nan 0.000 0.436 132 L N 0.291 121.519 121.223 0.007 0.000 2.046 132 L HA -0.165 4.176 4.340 0.001 0.000 0.208 132 L C 2.361 179.227 176.870 -0.008 0.000 1.077 132 L CA 1.572 56.428 54.840 0.028 0.000 0.747 132 L CB -0.505 41.595 42.059 0.069 0.000 0.896 132 L HN 0.257 nan 8.230 nan 0.000 0.432 133 A N -0.008 122.792 122.820 -0.034 0.000 1.877 133 A HA -0.250 4.071 4.320 0.001 0.000 0.216 133 A C 2.234 179.754 177.584 -0.107 0.000 1.186 133 A CA 1.845 53.857 52.037 -0.042 0.000 0.620 133 A CB -0.378 18.607 19.000 -0.025 0.000 0.822 133 A HN 0.393 nan 8.150 nan 0.000 0.443 134 K N -0.524 119.745 120.400 -0.218 0.000 2.155 134 K HA 0.056 4.377 4.320 0.001 0.000 0.203 134 K C 2.114 178.661 176.600 -0.088 0.000 1.052 134 K CA 0.932 57.075 56.287 -0.240 0.000 0.948 134 K CB -0.198 32.138 32.500 -0.275 0.000 0.728 134 K HN 0.445 nan 8.250 nan 0.000 0.448 135 A N 0.595 123.383 122.820 -0.053 0.000 2.021 135 A HA -0.007 4.314 4.320 0.001 0.000 0.216 135 A C 1.973 179.554 177.584 -0.004 0.000 1.163 135 A CA 1.075 53.101 52.037 -0.019 0.000 0.676 135 A CB 0.040 19.038 19.000 -0.004 0.000 0.818 135 A HN 0.039 nan 8.150 nan 0.000 0.453 136 R N -2.184 118.314 120.500 -0.002 0.000 2.257 136 R HA 0.484 4.825 4.340 0.001 0.000 0.195 136 R C 1.240 177.548 176.300 0.012 0.000 0.921 136 R CA 0.986 57.090 56.100 0.007 0.000 1.069 136 R CB -0.278 30.026 30.300 0.007 0.000 1.115 136 R HN 0.576 nan 8.270 nan 0.000 0.571 137 A N 0.846 123.678 122.820 0.020 0.000 5.476 137 A HA -0.392 3.929 4.320 0.001 0.000 0.327 137 A C 1.135 178.742 177.584 0.038 0.000 1.778 137 A CA 1.903 53.968 52.037 0.047 0.000 0.721 137 A CB -1.684 17.346 19.000 0.050 0.000 1.388 137 A HN 0.388 nan 8.150 nan 0.000 0.397 138 D N -0.025 120.395 120.400 0.033 0.000 2.265 138 D HA -0.009 4.632 4.640 0.001 0.000 0.208 138 D C 1.200 177.508 176.300 0.013 0.000 0.977 138 D CA 1.441 55.454 54.000 0.022 0.000 0.871 138 D CB -0.422 40.388 40.800 0.017 0.000 0.925 138 D HN 0.497 nan 8.370 nan 0.000 0.485 139 D N -0.332 120.074 120.400 0.011 0.000 2.312 139 D HA -0.051 4.590 4.640 0.001 0.000 0.211 139 D C 0.572 176.872 176.300 -0.001 0.000 0.964 139 D CA 0.051 54.054 54.000 0.004 0.000 0.877 139 D CB -0.044 40.759 40.800 0.004 0.000 0.924 139 D HN 0.151 nan 8.370 nan 0.000 0.515 140 L N 1.604 122.827 121.223 0.000 0.000 2.433 140 L HA 0.050 4.391 4.340 0.001 0.000 0.284 140 L C 1.139 178.003 176.870 -0.011 0.000 1.120 140 L CA 0.373 55.206 54.840 -0.011 0.000 0.879 140 L CB 0.224 42.277 42.059 -0.011 0.000 1.232 140 L HN -0.116 nan 8.230 nan 0.000 0.454 141 E N 1.332 121.522 120.200 -0.018 0.000 2.190 141 E HA 0.011 4.361 4.350 0.001 0.000 0.191 141 E C 0.156 176.742 176.600 -0.024 0.000 0.978 141 E CA 0.730 57.121 56.400 -0.015 0.000 0.839 141 E CB 0.439 30.130 29.700 -0.016 0.000 0.787 141 E HN 0.641 nan 8.360 nan 0.000 0.473 142 T N -0.101 114.428 114.554 -0.041 0.000 2.921 142 T HA 0.468 4.818 4.350 0.001 0.000 0.297 142 T C -1.676 172.965 174.700 -0.099 0.000 1.013 142 T CA -0.888 61.176 62.100 -0.060 0.000 0.990 142 T CB 1.412 70.245 68.868 -0.060 0.000 1.023 142 T HN -0.042 nan 8.240 nan 0.000 0.447 143 L N 3.849 125.006 121.223 -0.110 0.000 2.376 143 L HA 0.697 5.038 4.340 0.001 0.000 0.275 143 L C -0.962 175.799 176.870 -0.181 0.000 0.987 143 L CA -0.336 54.406 54.840 -0.163 0.000 0.828 143 L CB 1.519 43.501 42.059 -0.129 0.000 1.249 143 L HN 0.736 nan 8.230 nan 0.000 0.409 144 K N 6.762 127.008 120.400 -0.257 0.000 2.507 144 K HA 0.482 4.803 4.320 0.001 0.000 0.253 144 K C -1.213 175.282 176.600 -0.174 0.000 0.969 144 K CA -0.465 55.653 56.287 -0.281 0.000 0.908 144 K CB 1.422 33.559 32.500 -0.605 0.000 1.127 144 K HN 0.563 nan 8.250 nan 0.000 0.437 145 L N 3.203 124.381 121.223 -0.074 0.000 2.328 145 L HA 0.185 4.525 4.340 0.001 0.000 0.280 145 L C -0.165 176.764 176.870 0.099 0.000 1.111 145 L CA -0.520 54.346 54.840 0.043 0.000 0.909 145 L CB 0.004 42.036 42.059 -0.045 0.000 1.277 145 L HN 0.501 nan 8.230 nan 0.000 0.433 146 D N 4.992 125.463 120.400 0.118 0.000 2.412 146 D HA 0.157 4.797 4.640 0.001 0.000 0.224 146 D C 0.222 176.589 176.300 0.111 0.000 1.093 146 D CA -0.401 53.666 54.000 0.111 0.000 0.850 146 D CB 0.563 41.481 40.800 0.196 0.000 1.046 146 D HN 0.333 nan 8.370 nan 0.000 0.507 147 K N 1.663 122.110 120.400 0.078 0.000 3.096 147 K HA -0.169 4.151 4.320 0.001 0.000 0.266 147 K C -0.378 176.256 176.600 0.057 0.000 1.043 147 K CA 0.324 56.630 56.287 0.031 0.000 0.758 147 K CB -2.227 30.262 32.500 -0.018 0.000 1.260 147 K HN 0.408 nan 8.250 nan 0.000 0.481 148 C N 0.343 119.726 119.300 0.140 0.000 2.345 148 C HA 0.702 5.163 4.460 0.001 0.000 0.370 148 C C 0.980 176.091 174.990 0.202 0.000 1.209 148 C CA -0.128 59.001 59.018 0.184 0.000 2.133 148 C CB 1.525 29.429 27.740 0.273 0.000 2.293 148 C HN 0.640 nan 8.230 nan 0.000 0.544 149 S N -0.937 114.871 115.700 0.180 0.000 2.651 149 S HA 0.805 5.275 4.470 0.001 0.000 0.279 149 S C -0.041 174.649 174.600 0.150 0.000 1.148 149 S CA 0.270 58.509 58.200 0.065 0.000 0.837 149 S CB 1.402 64.587 63.200 -0.025 0.000 1.138 149 S HN 2.232 nan 8.310 nan 0.000 0.478 150 G N -0.064 108.752 108.800 0.027 0.000 2.192 150 G HA2 -0.070 3.890 3.960 0.001 0.000 0.193 150 G HA3 -0.070 3.890 3.960 0.001 0.000 0.193 150 G C -0.224 174.779 174.900 0.173 0.000 0.999 150 G CA 0.045 45.211 45.100 0.110 0.000 0.659 150 G HN 1.493 nan 8.290 nan 0.000 0.503 151 F N 0.660 120.663 119.950 0.087 0.000 2.697 151 F HA 0.948 5.476 4.527 0.001 0.000 0.386 151 F C 0.396 176.258 175.800 0.102 0.000 1.154 151 F CA -0.301 57.746 58.000 0.078 0.000 1.108 151 F CB 1.134 40.168 39.000 0.056 0.000 1.429 151 F HN 0.508 nan 8.300 nan 0.000 0.509 152 T N -4.023 110.664 114.554 0.222 0.000 2.754 152 T HA 0.284 4.635 4.350 0.001 0.000 0.296 152 T C 0.623 175.367 174.700 0.074 0.000 1.205 152 T CA -0.014 62.133 62.100 0.078 0.000 1.009 152 T CB 0.766 69.679 68.868 0.076 0.000 1.368 152 T HN 1.006 nan 8.240 nan 0.000 0.509 153 T N -1.295 113.258 114.554 -0.001 0.000 2.929 153 T HA -0.062 4.288 4.350 0.001 0.000 0.271 153 T C 1.154 175.885 174.700 0.052 0.000 1.085 153 T CA 1.621 63.709 62.100 -0.019 0.000 1.125 153 T CB -0.816 68.123 68.868 0.118 0.000 0.874 153 T HN 0.609 nan 8.240 nan 0.000 0.494 154 D N 1.869 122.315 120.400 0.076 0.000 2.149 154 D HA -0.016 4.625 4.640 0.001 0.000 0.198 154 D C 2.382 178.726 176.300 0.073 0.000 0.990 154 D CA 1.432 55.481 54.000 0.081 0.000 0.839 154 D CB -0.956 39.890 40.800 0.077 0.000 0.948 154 D HN 0.591 nan 8.370 nan 0.000 0.460 155 G N 0.764 109.609 108.800 0.075 0.000 2.404 155 G HA2 -0.176 3.785 3.960 0.001 0.000 0.215 155 G HA3 -0.176 3.785 3.960 0.001 0.000 0.215 155 G C 1.791 176.682 174.900 -0.016 0.000 1.174 155 G CA 0.260 45.388 45.100 0.046 0.000 0.780 155 G HN 0.247 nan 8.290 nan 0.000 0.537 156 L N -0.323 120.852 121.223 -0.079 0.000 2.046 156 L HA -0.045 4.295 4.340 0.001 0.000 0.208 156 L C 2.715 179.590 176.870 0.009 0.000 1.077 156 L CA 0.517 55.248 54.840 -0.182 0.000 0.747 156 L CB -0.503 41.205 42.059 -0.586 0.000 0.896 156 L HN 0.206 nan 8.230 nan 0.000 0.432 157 L N -0.474 120.806 121.223 0.095 0.000 2.042 157 L HA -0.220 4.120 4.340 0.001 0.000 0.210 157 L C 2.761 179.702 176.870 0.118 0.000 1.076 157 L CA 1.936 56.868 54.840 0.155 0.000 0.749 157 L CB -0.627 41.519 42.059 0.144 0.000 0.893 157 L HN 0.176 nan 8.230 nan 0.000 0.432 158 S N -0.562 115.206 115.700 0.114 0.000 2.368 158 S HA -0.181 4.290 4.470 0.001 0.000 0.225 158 S C 2.088 176.816 174.600 0.213 0.000 1.030 158 S CA 1.575 59.885 58.200 0.183 0.000 0.999 158 S CB -0.555 62.726 63.200 0.136 0.000 0.844 158 S HN 0.591 nan 8.310 nan 0.000 0.459 159 I N 0.854 121.486 120.570 0.102 0.000 2.353 159 I HA 0.030 4.201 4.170 0.001 0.000 0.248 159 I C 2.070 178.240 176.117 0.088 0.000 1.119 159 I CA 1.300 62.650 61.300 0.083 0.000 1.417 159 I CB -0.643 37.364 38.000 0.011 0.000 1.078 159 I HN 0.235 nan 8.210 nan 0.000 0.421 160 V N -0.427 119.540 119.914 0.089 0.000 3.141 160 V HA -0.070 4.051 4.120 0.001 0.000 0.265 160 V C 2.341 178.462 176.094 0.045 0.000 1.126 160 V CA 1.734 64.089 62.300 0.091 0.000 1.141 160 V CB -1.771 30.142 31.823 0.151 0.000 0.743 160 V HN 0.719 nan 8.190 nan 0.000 0.492 161 T N -2.171 112.387 114.554 0.007 0.000 3.044 161 T HA 0.022 4.372 4.350 0.001 0.000 0.255 161 T C 1.619 176.183 174.700 -0.227 0.000 1.073 161 T CA 1.231 63.250 62.100 -0.135 0.000 1.125 161 T CB -0.507 68.234 68.868 -0.211 0.000 0.908 161 T HN 0.601 nan 8.240 nan 0.000 0.480 162 H N -0.482 118.582 119.070 -0.009 0.000 2.547 162 H HA 0.410 4.967 4.556 0.001 0.000 0.272 162 H C 0.388 175.711 175.328 -0.008 0.000 0.971 162 H CA 0.115 56.156 56.048 -0.011 0.000 1.245 162 H CB 0.210 29.970 29.762 -0.004 0.000 1.440 162 H HN 0.345 nan 8.280 nan 0.000 0.540 163 C N 2.136 121.498 119.300 0.103 0.000 2.170 163 C HA 0.276 4.737 4.460 0.001 0.000 0.339 163 C C 1.207 176.218 174.990 0.036 0.000 1.056 163 C CA -0.602 58.452 59.018 0.059 0.000 1.535 163 C CB -0.477 27.293 27.740 0.049 0.000 1.785 163 C HN 0.575 nan 8.230 nan 0.000 0.440 164 R N 0.846 121.360 120.500 0.023 0.000 2.297 164 R HA 0.042 4.383 4.340 0.001 0.000 0.197 164 R C 0.961 177.275 176.300 0.023 0.000 0.943 164 R CA 0.562 56.671 56.100 0.014 0.000 1.038 164 R CB 0.255 30.552 30.300 -0.005 0.000 0.957 164 R HN 0.593 nan 8.270 nan 0.000 0.484 165 K N 1.002 121.415 120.400 0.021 0.000 2.514 165 K HA 0.279 4.600 4.320 0.001 0.000 0.207 165 K C -0.115 176.496 176.600 0.017 0.000 1.035 165 K CA -0.181 56.117 56.287 0.018 0.000 1.113 165 K CB 0.716 33.223 32.500 0.012 0.000 0.846 165 K HN 0.032 nan 8.250 nan 0.000 0.491 166 I N 2.016 122.599 120.570 0.023 0.000 2.741 166 I HA -0.131 4.040 4.170 0.001 0.000 0.288 166 I C 1.099 177.228 176.117 0.020 0.000 1.192 166 I CA 0.790 62.101 61.300 0.019 0.000 1.426 166 I CB 0.408 38.425 38.000 0.029 0.000 1.367 166 I HN 0.177 nan 8.210 nan 0.000 0.563 167 K N 2.897 123.302 120.400 0.009 0.000 2.202 167 K HA 0.031 4.352 4.320 0.001 0.000 0.201 167 K C 0.712 177.318 176.600 0.010 0.000 1.051 167 K CA 0.675 56.967 56.287 0.009 0.000 0.977 167 K CB 0.309 32.809 32.500 -0.001 0.000 0.792 167 K HN 0.755 nan 8.250 nan 0.000 0.469 168 T N 0.308 114.861 114.554 -0.002 0.000 3.011 168 T HA 0.469 4.819 4.350 0.001 0.000 0.303 168 T C -1.822 172.870 174.700 -0.013 0.000 0.997 168 T CA -0.858 61.238 62.100 -0.006 0.000 1.007 168 T CB 1.160 70.013 68.868 -0.025 0.000 1.017 168 T HN -0.036 nan 8.240 nan 0.000 0.443 169 L N 5.595 126.827 121.223 0.015 0.000 2.372 169 L HA 0.846 5.186 4.340 0.001 0.000 0.274 169 L C -1.744 175.150 176.870 0.039 0.000 0.988 169 L CA -0.734 54.118 54.840 0.020 0.000 0.833 169 L CB 1.516 43.620 42.059 0.074 0.000 1.236 169 L HN 0.861 nan 8.230 nan 0.000 0.410 170 L N 5.388 126.607 121.223 -0.006 0.000 2.408 170 L HA 0.589 4.929 4.340 0.001 0.000 0.268 170 L C -0.513 176.385 176.870 0.048 0.000 0.986 170 L CA -0.319 54.532 54.840 0.019 0.000 0.820 170 L CB 2.075 44.098 42.059 -0.060 0.000 1.303 170 L HN 0.876 nan 8.230 nan 0.000 0.411 171 M N 2.627 122.321 119.600 0.156 0.000 2.410 171 M HA 0.237 4.717 4.480 0.001 0.000 0.376 171 M C -0.019 176.431 176.300 0.250 0.000 1.051 171 M CA -0.205 55.238 55.300 0.240 0.000 0.949 171 M CB 0.812 33.633 32.600 0.368 0.000 1.577 171 M HN 0.579 nan 8.290 nan 0.000 0.560 172 E N 2.505 122.809 120.200 0.174 0.000 2.765 172 E HA -0.180 4.170 4.350 0.001 0.000 0.256 172 E C 0.021 176.668 176.600 0.079 0.000 0.935 172 E CA 0.952 57.434 56.400 0.138 0.000 0.954 172 E CB 0.239 30.007 29.700 0.112 0.000 0.908 172 E HN 0.338 nan 8.360 nan 0.000 0.500 173 E N 1.261 121.469 120.200 0.014 0.000 2.883 173 E HA -0.238 4.113 4.350 0.001 0.000 0.271 173 E C -0.928 175.630 176.600 -0.070 0.000 1.049 173 E CA 0.603 56.962 56.400 -0.068 0.000 0.817 173 E CB -0.845 28.813 29.700 -0.069 0.000 1.407 173 E HN 0.370 nan 8.360 nan 0.000 0.434 174 S N 0.042 115.737 115.700 -0.009 0.000 2.586 174 S HA 0.386 4.857 4.470 0.001 0.000 0.274 174 S C -0.090 174.291 174.600 -0.365 0.000 1.281 174 S CA -0.218 57.981 58.200 -0.002 0.000 1.035 174 S CB 1.568 64.977 63.200 0.348 0.000 0.962 174 S HN 0.334 nan 8.310 nan 0.000 0.512 175 S N 2.792 118.244 115.700 -0.412 0.000 2.437 175 S HA 0.818 5.289 4.470 0.001 0.000 0.305 175 S C -0.584 173.552 174.600 -0.775 0.000 1.109 175 S CA -0.785 56.990 58.200 -0.709 0.000 1.099 175 S CB -0.002 62.939 63.200 -0.432 0.000 1.004 175 S HN 0.619 nan 8.310 nan 0.000 0.475 176 F N -0.781 118.816 119.950 -0.588 0.000 2.685 176 F HA 0.779 5.307 4.527 0.001 0.000 0.315 176 F C -0.498 175.056 175.800 -0.410 0.000 1.126 176 F CA -1.293 56.255 58.000 -0.754 0.000 0.950 176 F CB 1.029 39.293 39.000 -1.226 0.000 1.360 176 F HN 0.392 nan 8.300 nan 0.000 0.469 177 S N 0.428 116.166 115.700 0.062 0.000 2.475 177 S HA 0.203 4.674 4.470 0.001 0.000 0.281 177 S C -0.645 174.048 174.600 0.154 0.000 1.198 177 S CA -0.611 57.633 58.200 0.073 0.000 1.063 177 S CB 0.916 64.130 63.200 0.023 0.000 0.972 177 S HN 0.636 nan 8.310 nan 0.000 0.486 178 E N 2.796 123.095 120.200 0.164 0.000 2.014 178 E HA 0.185 4.536 4.350 0.001 0.000 0.275 178 E C 0.122 176.801 176.600 0.132 0.000 0.997 178 E CA -0.239 56.270 56.400 0.182 0.000 0.804 178 E CB 0.295 30.138 29.700 0.238 0.000 1.090 178 E HN 0.469 nan 8.360 nan 0.000 0.401 179 K N 2.635 123.106 120.400 0.119 0.000 2.284 179 K HA 0.065 4.386 4.320 0.001 0.000 0.198 179 K C -0.304 176.355 176.600 0.099 0.000 1.048 179 K CA 0.797 57.140 56.287 0.093 0.000 0.987 179 K CB 0.298 32.844 32.500 0.077 0.000 0.800 179 K HN 0.560 nan 8.250 nan 0.000 0.486 180 D N -3.151 117.330 120.400 0.135 0.000 2.713 180 D HA 0.186 4.827 4.640 0.001 0.000 0.306 180 D C 0.007 176.388 176.300 0.136 0.000 1.299 180 D CA -0.894 53.172 54.000 0.109 0.000 0.823 180 D CB 0.501 41.345 40.800 0.074 0.000 1.353 180 D HN -0.125 nan 8.370 nan 0.000 0.447 181 G N -1.271 107.545 108.800 0.026 0.000 3.575 181 G HA2 0.079 4.040 3.960 0.001 0.000 0.273 181 G HA3 0.079 4.040 3.960 0.001 0.000 0.273 181 G C 0.535 175.298 174.900 -0.229 0.000 1.053 181 G CA -0.340 44.685 45.100 -0.125 0.000 0.803 181 G HN 0.435 nan 8.290 nan 0.000 0.528 182 K N 0.490 120.859 120.400 -0.051 0.000 2.288 182 K HA -0.050 4.271 4.320 0.001 0.000 0.201 182 K C 2.126 178.727 176.600 0.002 0.000 1.048 182 K CA 0.669 56.947 56.287 -0.016 0.000 0.956 182 K CB -0.236 32.285 32.500 0.036 0.000 0.746 182 K HN 0.572 nan 8.250 nan 0.000 0.461 183 W N 1.836 123.115 121.300 -0.035 0.000 2.335 183 W HA -0.162 4.499 4.660 0.001 0.000 0.311 183 W C 1.405 177.885 176.519 -0.064 0.000 1.213 183 W CA 0.497 57.808 57.345 -0.056 0.000 1.274 183 W CB -1.045 28.354 29.460 -0.101 0.000 1.148 183 W HN 0.001 nan 8.180 nan 0.000 0.498 184 L N 0.539 121.019 121.223 -1.237 0.000 2.093 184 L HA -0.237 4.104 4.340 0.001 0.000 0.208 184 L C 2.911 179.541 176.870 -0.401 0.000 1.085 184 L CA 2.392 56.606 54.840 -1.044 0.000 0.755 184 L CB -0.795 40.497 42.059 -1.277 0.000 0.904 184 L HN 0.089 nan 8.230 nan 0.000 0.435 185 H N -0.383 118.472 119.070 -0.359 0.000 2.363 185 H HA -0.218 4.338 4.556 0.001 0.000 0.301 185 H C 2.098 177.369 175.328 -0.095 0.000 1.074 185 H CA 1.897 57.830 56.048 -0.191 0.000 1.354 185 H CB 0.277 29.948 29.762 -0.150 0.000 1.397 185 H HN 0.248 nan 8.280 nan 0.000 0.516 186 E N 0.387 120.586 120.200 -0.001 0.000 2.077 186 E HA -0.137 4.214 4.350 0.001 0.000 0.193 186 E C 2.249 178.866 176.600 0.029 0.000 0.989 186 E CA 1.329 57.760 56.400 0.052 0.000 0.800 186 E CB -0.420 29.340 29.700 0.100 0.000 0.746 186 E HN 0.565 nan 8.360 nan 0.000 0.452 187 L N -0.090 121.130 121.223 -0.005 0.000 1.989 187 L HA -0.223 4.118 4.340 0.001 0.000 0.211 187 L C 2.542 179.376 176.870 -0.061 0.000 1.071 187 L CA 1.315 56.157 54.840 0.003 0.000 0.749 187 L CB -0.700 41.372 42.059 0.022 0.000 0.890 187 L HN 0.269 nan 8.230 nan 0.000 0.431 188 A N -0.844 121.886 122.820 -0.150 0.000 1.948 188 A HA -0.288 4.033 4.320 0.001 0.000 0.220 188 A C 2.181 179.619 177.584 -0.244 0.000 1.177 188 A CA 1.888 53.808 52.037 -0.195 0.000 0.636 188 A CB -0.467 18.373 19.000 -0.267 0.000 0.815 188 A HN 0.540 nan 8.150 nan 0.000 0.449 189 Q N -2.350 117.260 119.800 -0.318 0.000 2.269 189 Q HA -0.024 4.317 4.340 0.001 0.000 0.201 189 Q C 1.095 176.761 176.000 -0.557 0.000 0.946 189 Q CA 1.004 56.537 55.803 -0.450 0.000 0.877 189 Q CB 0.129 28.555 28.738 -0.521 0.000 0.963 189 Q HN 0.876 nan 8.270 nan 0.000 0.472 190 H N -2.228 116.790 119.070 -0.087 0.000 3.440 190 H HA 0.171 4.728 4.556 0.001 0.000 0.259 190 H C -0.189 175.118 175.328 -0.035 0.000 1.120 190 H CA -0.169 55.848 56.048 -0.053 0.000 1.191 190 H CB 0.639 30.375 29.762 -0.044 0.000 1.537 190 H HN 0.077 nan 8.280 nan 0.000 0.547 191 N N 0.650 119.388 118.700 0.063 0.000 2.455 191 N HA 0.081 4.821 4.740 0.001 0.000 0.280 191 N C 0.507 176.030 175.510 0.021 0.000 1.055 191 N CA 0.212 53.290 53.050 0.047 0.000 0.961 191 N CB 1.560 40.077 38.487 0.049 0.000 1.121 191 N HN -0.108 nan 8.380 nan 0.000 0.476 192 T N -0.292 114.275 114.554 0.022 0.000 2.969 192 T HA 0.042 4.393 4.350 0.001 0.000 0.258 192 T C 1.114 175.822 174.700 0.014 0.000 0.962 192 T CA 0.247 62.354 62.100 0.011 0.000 0.903 192 T CB 0.081 68.954 68.868 0.009 0.000 1.177 192 T HN 0.638 nan 8.240 nan 0.000 0.511 193 S N 0.481 116.193 115.700 0.020 0.000 2.524 193 S HA 0.311 4.782 4.470 0.001 0.000 0.215 193 S C 0.490 175.103 174.600 0.022 0.000 0.986 193 S CA -0.437 57.773 58.200 0.017 0.000 0.911 193 S CB -0.188 63.022 63.200 0.015 0.000 0.805 193 S HN 0.176 nan 8.310 nan 0.000 0.501 194 L N 3.011 124.253 121.223 0.032 0.000 2.667 194 L HA 0.111 4.452 4.340 0.001 0.000 0.278 194 L C 1.055 177.948 176.870 0.038 0.000 1.217 194 L CA 0.894 55.760 54.840 0.043 0.000 0.935 194 L CB -0.110 41.986 42.059 0.063 0.000 1.193 194 L HN 0.299 nan 8.230 nan 0.000 0.493 195 E N 2.501 122.720 120.200 0.031 0.000 2.256 195 E HA 0.149 4.500 4.350 0.001 0.000 0.198 195 E C -0.527 176.091 176.600 0.030 0.000 0.908 195 E CA 0.247 56.662 56.400 0.025 0.000 0.915 195 E CB 0.903 30.609 29.700 0.010 0.000 0.890 195 E HN 0.429 nan 8.360 nan 0.000 0.484 196 V N 1.058 120.988 119.914 0.026 0.000 2.686 196 V HA 0.580 4.700 4.120 0.001 0.000 0.306 196 V C -1.955 174.162 176.094 0.037 0.000 1.065 196 V CA -0.938 61.376 62.300 0.023 0.000 0.894 196 V CB 1.892 33.712 31.823 -0.006 0.000 1.004 196 V HN 0.035 nan 8.190 nan 0.000 0.424 197 L N 5.586 126.835 121.223 0.044 0.000 2.406 197 L HA 0.747 5.088 4.340 0.001 0.000 0.272 197 L C -1.095 175.775 176.870 0.001 0.000 0.980 197 L CA -0.069 54.823 54.840 0.086 0.000 0.831 197 L CB 1.817 43.959 42.059 0.138 0.000 1.253 197 L HN 0.910 nan 8.230 nan 0.000 0.406 198 N N 4.987 123.718 118.700 0.051 0.000 2.581 198 N HA 0.346 5.087 4.740 0.001 0.000 0.279 198 N C -1.562 174.037 175.510 0.148 0.000 1.124 198 N CA -0.388 52.643 53.050 -0.031 0.000 0.833 198 N CB 0.677 39.151 38.487 -0.022 0.000 1.338 198 N HN 0.460 nan 8.380 nan 0.000 0.533 199 F N 2.834 122.883 119.950 0.165 0.000 2.597 199 F HA 0.374 4.901 4.527 0.001 0.000 0.336 199 F C 0.729 176.664 175.800 0.226 0.000 1.432 199 F CA -0.958 57.197 58.000 0.258 0.000 1.120 199 F CB -0.243 39.031 39.000 0.455 0.000 1.253 199 F HN 0.211 nan 8.300 nan 0.000 0.546 200 Y N 2.163 122.451 120.300 -0.021 0.000 2.097 200 Y HA -0.065 4.486 4.550 0.001 0.000 0.282 200 Y C 1.402 177.244 175.900 -0.097 0.000 1.152 200 Y CA 1.615 59.640 58.100 -0.125 0.000 1.136 200 Y CB 0.076 38.459 38.460 -0.128 0.000 0.975 200 Y HN 0.436 nan 8.280 nan 0.000 0.498 201 M N 1.897 121.413 119.600 -0.139 0.000 3.307 201 M HA 0.273 4.753 4.480 0.001 0.000 0.222 201 M C -1.072 175.117 176.300 -0.185 0.000 1.243 201 M CA -0.119 54.963 55.300 -0.363 0.000 1.270 201 M CB -0.433 31.918 32.600 -0.415 0.000 1.187 201 M HN 0.193 nan 8.290 nan 0.000 0.598 202 T N -1.217 113.286 114.554 -0.085 0.000 2.956 202 T HA 0.527 4.878 4.350 0.001 0.000 0.312 202 T C -0.851 173.784 174.700 -0.109 0.000 1.151 202 T CA -0.968 61.071 62.100 -0.101 0.000 1.024 202 T CB 1.393 70.318 68.868 0.095 0.000 1.140 202 T HN 0.391 nan 8.240 nan 0.000 0.473 203 E N 2.588 122.626 120.200 -0.271 0.000 1.932 203 E HA 0.281 4.632 4.350 0.001 0.000 0.275 203 E C -1.229 175.231 176.600 -0.234 0.000 1.159 203 E CA -0.177 56.104 56.400 -0.199 0.000 0.905 203 E CB -0.033 29.532 29.700 -0.224 0.000 1.059 203 E HN 0.544 nan 8.360 nan 0.000 0.400 204 F N 0.765 120.755 119.950 0.067 0.000 2.449 204 F HA 0.391 4.919 4.527 0.001 0.000 0.342 204 F C 0.823 176.623 175.800 -0.001 0.000 1.127 204 F CA -0.750 57.287 58.000 0.062 0.000 0.975 204 F CB 1.964 40.960 39.000 -0.005 0.000 1.146 204 F HN 0.491 nan 8.300 nan 0.000 0.444 205 A N 2.743 125.691 122.820 0.214 0.000 2.382 205 A HA 0.222 4.543 4.320 0.001 0.000 0.228 205 A C 1.213 178.877 177.584 0.134 0.000 1.217 205 A CA 0.052 52.169 52.037 0.133 0.000 0.923 205 A CB 0.028 19.079 19.000 0.086 0.000 0.979 205 A HN 0.709 nan 8.150 nan 0.000 0.515 206 K N 0.431 120.928 120.400 0.161 0.000 2.387 206 K HA 0.306 4.627 4.320 0.001 0.000 0.203 206 K C 0.072 176.700 176.600 0.047 0.000 1.030 206 K CA -0.086 56.263 56.287 0.103 0.000 1.099 206 K CB 0.364 32.928 32.500 0.106 0.000 0.863 206 K HN 0.693 nan 8.250 nan 0.000 0.529 207 I N -1.795 118.796 120.570 0.035 0.000 2.566 207 I HA 0.330 4.501 4.170 0.001 0.000 0.303 207 I C -0.051 176.131 176.117 0.108 0.000 0.983 207 I CA -0.734 60.519 61.300 -0.079 0.000 1.235 207 I CB 1.740 39.549 38.000 -0.318 0.000 1.386 207 I HN -0.226 nan 8.210 nan 0.000 0.494 208 S N 5.113 120.827 115.700 0.022 0.000 2.442 208 S HA 0.464 4.935 4.470 0.001 0.000 0.297 208 S C -1.319 173.217 174.600 -0.105 0.000 1.131 208 S CA -1.660 56.544 58.200 0.007 0.000 1.092 208 S CB 1.136 64.313 63.200 -0.037 0.000 0.998 208 S HN 0.637 nan 8.310 nan 0.000 0.478 209 P HA -0.132 nan 4.420 nan 0.000 0.219 209 P C 0.976 178.078 177.300 -0.329 0.000 1.146 209 P CA 0.930 63.607 63.100 -0.706 0.000 0.808 209 P CB 0.136 31.349 31.700 -0.812 0.000 0.779 210 K N 0.419 120.707 120.400 -0.187 0.000 2.044 210 K HA -0.161 4.160 4.320 0.001 0.000 0.210 210 K C 1.756 178.304 176.600 -0.086 0.000 1.049 210 K CA 1.286 57.508 56.287 -0.107 0.000 0.927 210 K CB -1.187 31.275 32.500 -0.063 0.000 0.713 210 K HN 0.215 nan 8.250 nan 0.000 0.443 211 D N 0.862 121.212 120.400 -0.084 0.000 2.123 211 D HA -0.151 4.490 4.640 0.001 0.000 0.196 211 D C 1.996 178.246 176.300 -0.084 0.000 0.992 211 D CA 0.677 54.625 54.000 -0.088 0.000 0.833 211 D CB -0.131 40.606 40.800 -0.105 0.000 0.954 211 D HN 0.010 nan 8.370 nan 0.000 0.455 212 L N 1.398 122.566 121.223 -0.093 0.000 2.017 212 L HA -0.140 4.201 4.340 0.001 0.000 0.208 212 L C 2.240 179.160 176.870 0.083 0.000 1.073 212 L CA 1.779 56.587 54.840 -0.053 0.000 0.745 212 L CB -0.603 41.341 42.059 -0.191 0.000 0.894 212 L HN -0.021 nan 8.230 nan 0.000 0.432 213 E N -1.437 118.793 120.200 0.050 0.000 2.097 213 E HA -0.308 4.042 4.350 0.001 0.000 0.196 213 E C 2.054 178.686 176.600 0.054 0.000 1.000 213 E CA 1.867 58.338 56.400 0.119 0.000 0.804 213 E CB -0.206 29.502 29.700 0.012 0.000 0.740 213 E HN 0.605 nan 8.360 nan 0.000 0.454 214 T N -0.536 114.015 114.554 -0.004 0.000 2.951 214 T HA -0.052 4.299 4.350 0.001 0.000 0.268 214 T C 1.911 176.599 174.700 -0.021 0.000 1.073 214 T CA 0.946 63.027 62.100 -0.033 0.000 1.134 214 T CB -0.257 68.568 68.868 -0.072 0.000 0.884 214 T HN 0.220 nan 8.240 nan 0.000 0.479 215 I N 1.398 121.973 120.570 0.009 0.000 2.226 215 I HA -0.083 4.088 4.170 0.001 0.000 0.245 215 I C 3.106 179.260 176.117 0.061 0.000 1.100 215 I CA 1.213 62.533 61.300 0.034 0.000 1.374 215 I CB -0.624 37.415 38.000 0.065 0.000 1.057 215 I HN 0.366 nan 8.210 nan 0.000 0.413 216 A N 0.666 123.552 122.820 0.110 0.000 1.933 216 A HA -0.248 4.073 4.320 0.001 0.000 0.218 216 A C 2.381 179.946 177.584 -0.033 0.000 1.175 216 A CA 1.741 53.798 52.037 0.034 0.000 0.628 216 A CB -0.592 18.357 19.000 -0.085 0.000 0.814 216 A HN 0.317 nan 8.150 nan 0.000 0.444 217 R N -0.447 120.036 120.500 -0.028 0.000 2.115 217 R HA -0.046 4.295 4.340 0.001 0.000 0.230 217 R C 1.311 177.590 176.300 -0.036 0.000 1.111 217 R CA 1.522 57.596 56.100 -0.043 0.000 0.976 217 R CB -0.085 30.189 30.300 -0.043 0.000 0.870 217 R HN 0.500 nan 8.270 nan 0.000 0.445 218 N N -1.222 117.461 118.700 -0.027 0.000 2.356 218 N HA 0.031 4.771 4.740 0.001 0.000 0.178 218 N C -0.618 174.884 175.510 -0.014 0.000 1.075 218 N CA 0.343 53.377 53.050 -0.026 0.000 0.889 218 N CB 0.604 39.070 38.487 -0.035 0.000 0.999 218 N HN 0.093 nan 8.380 nan 0.000 0.464 219 C N 1.792 121.090 119.300 -0.004 0.000 2.184 219 C HA 0.377 4.837 4.460 0.001 0.000 0.328 219 C C 1.624 176.614 174.990 -0.001 0.000 1.081 219 C CA -0.788 58.234 59.018 0.007 0.000 1.533 219 C CB -0.025 27.733 27.740 0.029 0.000 1.905 219 C HN 0.183 nan 8.230 nan 0.000 0.439 220 R N 1.063 121.558 120.500 -0.007 0.000 2.189 220 R HA -0.036 4.304 4.340 0.001 0.000 0.223 220 R C 1.773 178.068 176.300 -0.009 0.000 1.092 220 R CA 1.012 57.104 56.100 -0.014 0.000 0.989 220 R CB -0.127 30.164 30.300 -0.015 0.000 0.876 220 R HN 0.592 nan 8.270 nan 0.000 0.457 221 S N 0.112 115.812 115.700 -0.001 0.000 2.614 221 S HA 0.153 4.624 4.470 0.001 0.000 0.230 221 S C -0.081 174.526 174.600 0.011 0.000 0.952 221 S CA -0.523 57.678 58.200 0.002 0.000 0.949 221 S CB 0.021 63.222 63.200 0.002 0.000 0.786 221 S HN 0.074 nan 8.310 nan 0.000 0.478 222 L N 2.513 123.747 121.223 0.018 0.000 2.530 222 L HA 0.162 4.503 4.340 0.001 0.000 0.273 222 L C 0.676 177.570 176.870 0.040 0.000 1.141 222 L CA 0.637 55.502 54.840 0.041 0.000 0.905 222 L CB 0.384 42.479 42.059 0.061 0.000 1.202 222 L HN 0.028 nan 8.230 nan 0.000 0.473 223 V N 2.575 122.516 119.914 0.044 0.000 3.359 223 V HA 0.264 4.385 4.120 0.001 0.000 0.245 223 V C 0.593 176.721 176.094 0.057 0.000 1.247 223 V CA 0.681 63.004 62.300 0.037 0.000 1.145 223 V CB 0.633 32.466 31.823 0.017 0.000 0.906 223 V HN 0.778 nan 8.190 nan 0.000 0.464 224 S N 0.594 116.330 115.700 0.059 0.000 2.614 224 S HA 0.665 5.136 4.470 0.001 0.000 0.288 224 S C -1.289 173.345 174.600 0.056 0.000 1.137 224 S CA -0.350 57.880 58.200 0.051 0.000 0.992 224 S CB 1.660 64.858 63.200 -0.003 0.000 1.026 224 S HN 0.461 nan 8.310 nan 0.000 0.486 225 V N 4.085 124.046 119.914 0.077 0.000 2.686 225 V HA 0.769 4.890 4.120 0.001 0.000 0.306 225 V C -1.512 174.415 176.094 -0.279 0.000 1.065 225 V CA -0.625 61.660 62.300 -0.025 0.000 0.894 225 V CB 1.701 33.592 31.823 0.113 0.000 1.004 225 V HN 0.897 nan 8.190 nan 0.000 0.424 226 K N 4.206 124.351 120.400 -0.425 0.000 2.318 226 K HA 0.914 5.235 4.320 0.001 0.000 0.249 226 K C -1.488 174.722 176.600 -0.650 0.000 0.942 226 K CA -0.807 55.127 56.287 -0.588 0.000 0.808 226 K CB 2.687 34.886 32.500 -0.502 0.000 1.189 226 K HN 0.616 nan 8.250 nan 0.000 0.428 227 V N 0.356 119.970 119.914 -0.500 0.000 3.206 227 V HA 0.462 4.583 4.120 0.001 0.000 0.305 227 V C 0.199 176.241 176.094 -0.087 0.000 1.257 227 V CA -0.608 61.378 62.300 -0.524 0.000 1.057 227 V CB 2.320 33.946 31.823 -0.328 0.000 1.075 227 V HN 0.995 nan 8.190 nan 0.000 0.443 228 G N -0.338 108.496 108.800 0.057 0.000 2.783 228 G HA2 0.207 4.168 3.960 0.001 0.000 0.182 228 G HA3 0.207 4.168 3.960 0.001 0.000 0.182 228 G C -0.241 174.667 174.900 0.012 0.000 1.516 228 G CA -0.026 45.108 45.100 0.056 0.000 1.079 228 G HN 0.656 nan 8.290 nan 0.000 0.573 229 D N 0.519 120.928 120.400 0.016 0.000 2.870 229 D HA 0.176 4.817 4.640 0.001 0.000 0.241 229 D C -0.123 176.282 176.300 0.175 0.000 1.234 229 D CA -0.051 54.024 54.000 0.126 0.000 0.844 229 D CB -0.548 40.334 40.800 0.137 0.000 1.051 229 D HN 0.129 nan 8.370 nan 0.000 0.469 230 F N 1.279 121.344 119.950 0.192 0.000 2.578 230 F HA -0.045 4.483 4.527 0.001 0.000 0.376 230 F C 1.614 177.515 175.800 0.169 0.000 1.085 230 F CA -0.341 57.753 58.000 0.157 0.000 1.260 230 F CB 0.692 39.772 39.000 0.132 0.000 1.095 230 F HN -0.177 nan 8.300 nan 0.000 0.573 231 E N 3.820 124.235 120.200 0.359 0.000 2.493 231 E HA -0.058 4.293 4.350 0.001 0.000 0.255 231 E C 0.971 177.728 176.600 0.262 0.000 0.999 231 E CA 0.173 56.736 56.400 0.273 0.000 0.934 231 E CB 0.602 30.423 29.700 0.201 0.000 0.940 231 E HN 0.550 nan 8.360 nan 0.000 0.473 232 I N 4.782 125.529 120.570 0.294 0.000 2.248 232 I HA -0.335 3.836 4.170 0.001 0.000 0.248 232 I C 2.177 178.444 176.117 0.250 0.000 1.107 232 I CA 1.004 62.470 61.300 0.276 0.000 1.373 232 I CB -0.132 37.994 38.000 0.211 0.000 1.055 232 I HN 0.597 nan 8.210 nan 0.000 0.418 233 L N -0.235 121.168 121.223 0.301 0.000 2.127 233 L HA -0.249 4.092 4.340 0.001 0.000 0.211 233 L C 2.224 179.143 176.870 0.081 0.000 1.089 233 L CA 1.401 56.356 54.840 0.191 0.000 0.757 233 L CB -0.527 41.609 42.059 0.128 0.000 0.899 233 L HN 0.316 nan 8.230 nan 0.000 0.434 234 E N -0.306 119.925 120.200 0.053 0.000 2.409 234 E HA -0.125 4.225 4.350 0.001 0.000 0.198 234 E C 1.635 178.167 176.600 -0.113 0.000 1.024 234 E CA 0.492 56.869 56.400 -0.040 0.000 0.861 234 E CB 0.127 29.786 29.700 -0.068 0.000 0.788 234 E HN 0.524 nan 8.360 nan 0.000 0.521 235 L N 0.194 121.366 121.223 -0.085 0.000 2.667 235 L HA 0.060 4.401 4.340 0.001 0.000 0.232 235 L C 1.698 178.502 176.870 -0.110 0.000 1.138 235 L CA -0.237 54.486 54.840 -0.194 0.000 0.921 235 L CB 0.497 42.344 42.059 -0.353 0.000 1.180 235 L HN 0.006 nan 8.230 nan 0.000 0.487 236 V N 0.630 120.552 119.914 0.013 0.000 2.332 236 V HA -0.235 3.886 4.120 0.001 0.000 0.248 236 V C 2.577 178.682 176.094 0.020 0.000 1.055 236 V CA 2.330 64.669 62.300 0.065 0.000 1.038 236 V CB -0.848 30.992 31.823 0.029 0.000 0.651 236 V HN 0.619 nan 8.190 nan 0.000 0.450 237 G N -0.890 107.900 108.800 -0.017 0.000 2.418 237 G HA2 -0.325 3.636 3.960 0.001 0.000 0.217 237 G HA3 -0.325 3.636 3.960 0.001 0.000 0.217 237 G C 1.544 176.418 174.900 -0.044 0.000 1.158 237 G CA 0.996 46.078 45.100 -0.031 0.000 0.771 237 G HN 0.494 nan 8.290 nan 0.000 0.545 238 F N 1.034 120.863 119.950 -0.201 0.000 2.091 238 F HA -0.075 4.452 4.527 0.001 0.000 0.299 238 F C 2.304 177.986 175.800 -0.197 0.000 1.103 238 F CA 1.587 59.435 58.000 -0.253 0.000 1.228 238 F CB -0.404 38.349 39.000 -0.412 0.000 0.984 238 F HN 0.156 nan 8.300 nan 0.000 0.477 239 F N 0.528 120.337 119.950 -0.234 0.000 2.186 239 F HA -0.131 4.397 4.527 0.001 0.000 0.299 239 F C 2.377 177.991 175.800 -0.311 0.000 1.090 239 F CA 1.218 59.008 58.000 -0.351 0.000 1.307 239 F CB -0.436 38.425 39.000 -0.233 0.000 1.019 239 F HN -0.138 nan 8.300 nan 0.000 0.489 240 K N 0.130 120.502 120.400 -0.047 0.000 2.097 240 K HA -0.126 4.194 4.320 0.001 0.000 0.206 240 K C 2.162 178.689 176.600 -0.121 0.000 1.049 240 K CA 1.167 57.407 56.287 -0.078 0.000 0.933 240 K CB -0.306 32.157 32.500 -0.060 0.000 0.717 240 K HN 0.223 nan 8.250 nan 0.000 0.442 241 A N 1.074 123.790 122.820 -0.174 0.000 2.021 241 A HA 0.135 4.456 4.320 0.001 0.000 0.216 241 A C 1.576 179.029 177.584 -0.219 0.000 1.163 241 A CA 0.764 52.699 52.037 -0.171 0.000 0.676 241 A CB -0.015 18.898 19.000 -0.144 0.000 0.818 241 A HN 0.230 nan 8.150 nan 0.000 0.453 242 A N 0.273 122.870 122.820 -0.371 0.000 3.077 242 A HA 0.553 4.874 4.320 0.001 0.000 0.255 242 A C 1.565 179.047 177.584 -0.171 0.000 1.728 242 A CA 0.584 52.419 52.037 -0.337 0.000 1.383 242 A CB -1.033 17.592 19.000 -0.625 0.000 1.097 242 A HN 0.849 nan 8.150 nan 0.000 0.634 243 A N 1.202 123.949 122.820 -0.120 0.000 1.948 243 A HA -0.183 4.138 4.320 0.001 0.000 0.220 243 A C 1.616 179.163 177.584 -0.061 0.000 1.177 243 A CA 1.781 53.768 52.037 -0.082 0.000 0.636 243 A CB -0.301 18.659 19.000 -0.067 0.000 0.815 243 A HN 0.599 nan 8.150 nan 0.000 0.449 244 N N -0.548 118.122 118.700 -0.050 0.000 2.314 244 N HA 0.142 4.883 4.740 0.001 0.000 0.200 244 N C -0.243 175.260 175.510 -0.013 0.000 1.135 244 N CA -0.173 52.859 53.050 -0.029 0.000 0.835 244 N CB -0.169 38.305 38.487 -0.021 0.000 0.989 244 N HN 0.365 nan 8.380 nan 0.000 0.478 245 L N 1.456 122.672 121.223 -0.012 0.000 2.513 245 L HA -0.019 4.322 4.340 0.001 0.000 0.272 245 L C 1.172 178.063 176.870 0.036 0.000 1.187 245 L CA 0.860 55.724 54.840 0.040 0.000 0.895 245 L CB 0.480 42.588 42.059 0.082 0.000 1.147 245 L HN 0.154 nan 8.230 nan 0.000 0.483 246 E N 2.360 122.588 120.200 0.048 0.000 2.372 246 E HA 0.103 4.453 4.350 0.001 0.000 0.201 246 E C -0.182 176.450 176.600 0.054 0.000 0.938 246 E CA 0.071 56.490 56.400 0.032 0.000 0.944 246 E CB 0.700 30.410 29.700 0.016 0.000 0.937 246 E HN 0.656 nan 8.360 nan 0.000 0.495 247 E N 0.396 120.647 120.200 0.084 0.000 2.248 247 E HA 0.425 4.776 4.350 0.001 0.000 0.267 247 E C -1.818 174.898 176.600 0.194 0.000 0.877 247 E CA -0.647 55.803 56.400 0.082 0.000 0.759 247 E CB 1.505 31.209 29.700 0.007 0.000 1.182 247 E HN -0.071 nan 8.360 nan 0.000 0.418 248 F N 4.489 124.462 119.950 0.038 0.000 2.588 248 F HA 0.543 5.071 4.527 0.001 0.000 0.318 248 F C -1.769 174.034 175.800 0.004 0.000 1.155 248 F CA -0.518 57.541 58.000 0.098 0.000 0.967 248 F CB 1.058 40.252 39.000 0.324 0.000 1.236 248 F HN 0.591 nan 8.300 nan 0.000 0.455 249 C N 4.160 122.944 119.300 -0.860 0.000 2.626 249 C HA 1.013 5.473 4.460 0.001 0.000 0.310 249 C C 0.490 175.014 174.990 -0.776 0.000 1.191 249 C CA -0.049 58.566 59.018 -0.671 0.000 1.517 249 C CB 0.742 27.936 27.740 -0.909 0.000 2.102 249 C HN 1.418 nan 8.230 nan 0.000 0.479 250 G N 1.238 109.941 108.800 -0.163 0.000 2.358 250 G HA2 0.509 4.470 3.960 0.001 0.000 0.198 250 G HA3 0.509 4.470 3.960 0.001 0.000 0.198 250 G C 0.138 175.181 174.900 0.239 0.000 1.220 250 G CA 0.294 45.432 45.100 0.065 0.000 1.187 250 G HN 2.706 nan 8.290 nan 0.000 0.544 251 G N -1.392 107.583 108.800 0.291 0.000 2.877 251 G HA2 0.353 4.314 3.960 0.001 0.000 0.279 251 G HA3 0.353 4.314 3.960 0.001 0.000 0.279 251 G C 0.127 175.234 174.900 0.345 0.000 1.431 251 G CA 1.019 46.380 45.100 0.435 0.000 0.883 251 G HN 2.253 nan 8.290 nan 0.000 0.547 252 S N -0.867 115.048 115.700 0.359 0.000 2.647 252 S HA 0.637 5.107 4.470 0.001 0.000 0.300 252 S C -0.143 174.628 174.600 0.286 0.000 1.129 252 S CA -0.689 57.745 58.200 0.391 0.000 1.029 252 S CB 0.769 64.165 63.200 0.327 0.000 1.007 252 S HN 0.797 nan 8.310 nan 0.000 0.484 253 L N 5.547 126.918 121.223 0.246 0.000 2.270 253 L HA 0.466 4.806 4.340 0.001 0.000 0.286 253 L C -0.260 176.741 176.870 0.218 0.000 1.059 253 L CA -0.490 54.404 54.840 0.089 0.000 0.839 253 L CB 0.514 42.521 42.059 -0.087 0.000 1.221 253 L HN 0.575 nan 8.230 nan 0.000 0.431 254 N N 4.230 123.114 118.700 0.307 0.000 2.501 254 N HA 0.148 4.888 4.740 0.001 0.000 0.245 254 N C -0.438 175.224 175.510 0.253 0.000 0.974 254 N CA -0.427 52.751 53.050 0.214 0.000 0.941 254 N CB 1.600 40.168 38.487 0.135 0.000 1.122 254 N HN 0.606 nan 8.380 nan 0.000 0.507 255 E N 1.254 121.579 120.200 0.209 0.000 2.331 255 E HA 0.192 4.543 4.350 0.001 0.000 0.272 255 E C -0.912 175.731 176.600 0.073 0.000 1.036 255 E CA -0.625 55.871 56.400 0.160 0.000 0.864 255 E CB 0.955 30.745 29.700 0.150 0.000 1.035 255 E HN 0.422 nan 8.360 nan 0.000 0.408 256 D N 3.859 124.277 120.400 0.030 0.000 2.619 256 D HA 0.122 4.763 4.640 0.001 0.000 0.241 256 D C 1.004 177.308 176.300 0.005 0.000 1.087 256 D CA -0.751 53.256 54.000 0.013 0.000 0.851 256 D CB 1.246 42.045 40.800 -0.002 0.000 1.474 256 D HN 0.344 nan 8.370 nan 0.000 0.478 257 I N 1.701 122.276 120.570 0.009 0.000 2.335 257 I HA -0.158 4.013 4.170 0.001 0.000 0.251 257 I C 2.528 178.644 176.117 -0.002 0.000 1.129 257 I CA 1.272 62.576 61.300 0.007 0.000 1.402 257 I CB -1.710 36.296 38.000 0.009 0.000 1.069 257 I HN 0.726 nan 8.210 nan 0.000 0.424 258 G N 1.831 110.627 108.800 -0.008 0.000 2.553 258 G HA2 -0.243 3.718 3.960 0.001 0.000 0.218 258 G HA3 -0.243 3.718 3.960 0.001 0.000 0.218 258 G C 0.988 175.873 174.900 -0.024 0.000 1.195 258 G CA 0.454 45.545 45.100 -0.015 0.000 0.779 258 G HN 0.367 nan 8.290 nan 0.000 0.577 259 M N 2.174 121.751 119.600 -0.039 0.000 2.080 259 M HA 0.222 4.702 4.480 0.001 0.000 0.350 259 M C -1.620 174.653 176.300 -0.044 0.000 1.143 259 M CA -1.733 53.534 55.300 -0.055 0.000 1.064 259 M CB 2.233 34.774 32.600 -0.098 0.000 1.429 259 M HN 0.013 nan 8.290 nan 0.000 0.418 260 P HA -0.112 nan 4.420 nan 0.000 0.219 260 P C 0.176 177.475 177.300 -0.002 0.000 1.150 260 P CA 1.306 64.404 63.100 -0.004 0.000 0.814 260 P CB 0.309 32.009 31.700 0.001 0.000 0.787 261 E N -0.321 119.867 120.200 -0.021 0.000 2.939 261 E HA 0.093 4.444 4.350 0.001 0.000 0.215 261 E C 1.395 177.952 176.600 -0.072 0.000 1.025 261 E CA -0.298 56.092 56.400 -0.016 0.000 1.259 261 E CB 0.164 29.860 29.700 -0.007 0.000 1.228 261 E HN 0.117 nan 8.360 nan 0.000 0.443 262 K N 0.069 120.379 120.400 -0.151 0.000 2.077 262 K HA -0.236 4.085 4.320 0.001 0.000 0.213 262 K C 0.599 176.907 176.600 -0.486 0.000 1.051 262 K CA 1.753 57.811 56.287 -0.382 0.000 0.929 262 K CB 0.094 32.234 32.500 -0.600 0.000 0.715 262 K HN 0.207 nan 8.250 nan 0.000 0.451 263 Y N -1.462 118.840 120.300 0.004 0.000 2.926 263 Y HA 0.012 4.563 4.550 0.001 0.000 0.207 263 Y C 1.653 177.541 175.900 -0.020 0.000 0.927 263 Y CA 0.007 58.103 58.100 -0.006 0.000 1.055 263 Y CB -0.021 38.444 38.460 0.009 0.000 1.056 263 Y HN -0.161 nan 8.280 nan 0.000 0.462 264 M N -1.214 118.488 119.600 0.171 0.000 2.816 264 M HA -0.337 4.144 4.480 0.001 0.000 0.152 264 M C -0.392 175.932 176.300 0.041 0.000 0.690 264 M CA 1.277 56.623 55.300 0.077 0.000 0.578 264 M CB -2.012 30.618 32.600 0.050 0.000 2.121 264 M HN 0.469 nan 8.290 nan 0.000 0.269 265 N N 0.134 118.850 118.700 0.027 0.000 2.480 265 N HA 0.353 5.094 4.740 0.001 0.000 0.281 265 N C -0.831 174.645 175.510 -0.055 0.000 1.381 265 N CA -0.141 52.902 53.050 -0.011 0.000 0.903 265 N CB 0.490 38.968 38.487 -0.015 0.000 1.274 265 N HN 0.159 nan 8.380 nan 0.000 0.505 266 L N 1.662 122.822 121.223 -0.105 0.000 2.319 266 L HA 0.298 4.639 4.340 0.001 0.000 0.280 266 L C 0.393 177.050 176.870 -0.356 0.000 1.099 266 L CA -0.609 54.043 54.840 -0.314 0.000 0.828 266 L CB 0.809 42.501 42.059 -0.611 0.000 1.150 266 L HN 0.012 nan 8.230 nan 0.000 0.442 267 V N 1.719 121.432 119.914 -0.334 0.000 2.356 267 V HA 0.327 4.448 4.120 0.001 0.000 0.258 267 V C 0.054 175.874 176.094 -0.457 0.000 1.065 267 V CA -0.541 61.597 62.300 -0.271 0.000 0.935 267 V CB -0.730 31.006 31.823 -0.146 0.000 1.061 267 V HN 0.376 nan 8.190 nan 0.000 0.484 268 F N 5.184 124.920 119.950 -0.357 0.000 2.384 268 F HA 0.552 5.080 4.527 0.001 0.000 0.338 268 F C -1.534 174.006 175.800 -0.433 0.000 1.103 268 F CA -2.253 55.410 58.000 -0.561 0.000 1.157 268 F CB 1.215 39.817 39.000 -0.663 0.000 1.167 268 F HN 0.365 nan 8.300 nan 0.000 0.529 269 P HA 0.010 nan 4.420 nan 0.000 0.265 269 P C -0.935 176.249 177.300 -0.193 0.000 1.193 269 P CA -0.083 62.947 63.100 -0.117 0.000 0.765 269 P CB 0.350 32.021 31.700 -0.050 0.000 0.823 270 R N 3.574 123.981 120.500 -0.156 0.000 3.247 270 R HA 0.198 4.538 4.340 0.001 0.000 0.212 270 R C 0.577 176.805 176.300 -0.120 0.000 1.604 270 R CA 0.099 56.102 56.100 -0.161 0.000 1.279 270 R CB -0.212 30.027 30.300 -0.102 0.000 1.277 270 R HN 0.538 nan 8.270 nan 0.000 0.669 271 K N 0.006 120.323 120.400 -0.138 0.000 1.266 271 K HA 0.024 4.345 4.320 0.001 0.000 0.084 271 K C -0.067 176.497 176.600 -0.061 0.000 2.319 271 K CA -0.179 56.066 56.287 -0.070 0.000 0.984 271 K CB 0.146 32.617 32.500 -0.048 0.000 2.557 271 K HN 0.272 nan 8.250 nan 0.000 0.330 272 L N 2.795 123.947 121.223 -0.118 0.000 2.667 272 L HA -0.085 4.256 4.340 0.001 0.000 0.278 272 L C 0.801 177.673 176.870 0.003 0.000 1.217 272 L CA 1.184 55.975 54.840 -0.082 0.000 0.935 272 L CB 0.331 42.254 42.059 -0.227 0.000 1.193 272 L HN 0.717 nan 8.230 nan 0.000 0.493 273 C N 1.755 121.084 119.300 0.047 0.000 4.150 273 C HA 0.404 4.865 4.460 0.001 0.000 0.330 273 C C 0.419 175.436 174.990 0.045 0.000 1.905 273 C CA -0.831 58.231 59.018 0.073 0.000 1.724 273 C CB -0.207 27.562 27.740 0.049 0.000 3.096 273 C HN 0.835 nan 8.230 nan 0.000 0.601 274 R N 1.783 122.303 120.500 0.034 0.000 2.507 274 R HA 0.803 5.144 4.340 0.001 0.000 0.298 274 R C -0.984 175.325 176.300 0.014 0.000 1.087 274 R CA -0.012 56.094 56.100 0.009 0.000 0.917 274 R CB 1.515 31.812 30.300 -0.006 0.000 1.173 274 R HN 0.707 nan 8.270 nan 0.000 0.472 275 L N -1.091 120.132 121.223 0.000 0.000 2.720 275 L HA 1.011 5.352 4.340 0.001 0.000 0.261 275 L C -1.299 175.569 176.870 -0.004 0.000 1.046 275 L CA -0.853 53.998 54.840 0.018 0.000 0.886 275 L CB 2.550 44.631 42.059 0.037 0.000 1.493 275 L HN 0.564 nan 8.230 nan 0.000 0.407 276 G N 1.948 110.768 108.800 0.033 0.000 2.413 276 G HA2 0.506 4.467 3.960 0.001 0.000 0.285 276 G HA3 0.506 4.467 3.960 0.001 0.000 0.285 276 G C -1.609 173.369 174.900 0.129 0.000 1.337 276 G CA -0.548 44.581 45.100 0.048 0.000 1.324 276 G HN 0.595 nan 8.290 nan 0.000 0.611 277 L N 2.068 123.366 121.223 0.125 0.000 2.264 277 L HA 0.448 4.789 4.340 0.001 0.000 0.289 277 L C 0.569 177.505 176.870 0.109 0.000 1.044 277 L CA -0.707 54.245 54.840 0.186 0.000 0.807 277 L CB 1.653 43.805 42.059 0.155 0.000 1.192 277 L HN 0.412 nan 8.230 nan 0.000 0.425 278 S N 2.037 117.796 115.700 0.098 0.000 2.565 278 S HA 0.247 4.718 4.470 0.001 0.000 0.276 278 S C -0.003 174.546 174.600 -0.084 0.000 1.326 278 S CA -0.239 57.888 58.200 -0.123 0.000 1.045 278 S CB 0.291 63.299 63.200 -0.320 0.000 0.918 278 S HN 0.647 nan 8.310 nan 0.000 0.505 279 Y N -2.010 118.361 120.300 0.117 0.000 4.929 279 Y HA -0.258 4.292 4.550 0.001 0.000 0.253 279 Y C 0.651 176.583 175.900 0.053 0.000 0.946 279 Y CA 0.429 58.578 58.100 0.083 0.000 1.905 279 Y CB -2.417 36.090 38.460 0.078 0.000 1.400 279 Y HN 0.716 nan 8.280 nan 0.000 0.531 280 M N 1.775 121.441 119.600 0.110 0.000 2.336 280 M HA 0.269 4.750 4.480 0.001 0.000 0.371 280 M C 0.993 177.317 176.300 0.040 0.000 1.542 280 M CA 1.427 56.754 55.300 0.044 0.000 0.959 280 M CB 0.110 32.704 32.600 -0.010 0.000 2.033 280 M HN 0.391 nan 8.290 nan 0.000 0.472 281 G N 5.126 113.952 108.800 0.044 0.000 2.568 281 G HA2 0.544 4.504 3.960 0.001 0.000 0.293 281 G HA3 0.544 4.504 3.960 0.001 0.000 0.293 281 G C -2.540 172.368 174.900 0.012 0.000 1.347 281 G CA -1.105 44.021 45.100 0.043 0.000 1.039 281 G HN 0.557 nan 8.290 nan 0.000 0.523 282 P HA -0.016 nan 4.420 nan 0.000 0.222 282 P C 1.412 178.720 177.300 0.013 0.000 1.153 282 P CA 0.623 63.733 63.100 0.017 0.000 0.798 282 P CB 0.271 31.994 31.700 0.038 0.000 0.796 283 N N 0.164 118.882 118.700 0.030 0.000 2.331 283 N HA -0.099 4.641 4.740 0.001 0.000 0.180 283 N C 1.355 176.883 175.510 0.031 0.000 1.019 283 N CA 1.037 54.111 53.050 0.039 0.000 0.881 283 N CB -0.244 38.280 38.487 0.061 0.000 0.972 283 N HN 0.405 nan 8.380 nan 0.000 0.435 284 E N 0.894 121.104 120.200 0.018 0.000 2.364 284 E HA -0.001 4.349 4.350 0.001 0.000 0.196 284 E C 1.842 178.370 176.600 -0.120 0.000 0.990 284 E CA -0.114 56.283 56.400 -0.006 0.000 0.886 284 E CB -0.385 29.309 29.700 -0.011 0.000 0.866 284 E HN 0.260 nan 8.360 nan 0.000 0.493 285 M N 2.008 121.516 119.600 -0.154 0.000 2.124 285 M HA -0.156 4.324 4.480 0.001 0.000 0.253 285 M C -0.907 175.016 176.300 -0.627 0.000 1.077 285 M CA 2.272 57.402 55.300 -0.283 0.000 1.085 285 M CB -1.041 31.442 32.600 -0.195 0.000 1.320 285 M HN -0.045 nan 8.290 nan 0.000 0.404 286 P HA -0.143 nan 4.420 nan 0.000 0.223 286 P C 1.458 178.331 177.300 -0.711 0.000 1.144 286 P CA 1.241 63.575 63.100 -1.277 0.000 0.783 286 P CB -0.891 30.544 31.700 -0.442 0.000 0.771 287 I N -3.978 116.392 120.570 -0.332 0.000 3.083 287 I HA -0.114 4.057 4.170 0.001 0.000 0.273 287 I C 1.278 177.360 176.117 -0.058 0.000 1.297 287 I CA 1.466 62.727 61.300 -0.065 0.000 1.452 287 I CB -0.936 37.128 38.000 0.107 0.000 1.078 287 I HN -0.018 nan 8.210 nan 0.000 0.484 288 L N -0.382 120.620 121.223 -0.369 0.000 2.307 288 L HA -0.000 4.341 4.340 0.001 0.000 0.211 288 L C 2.418 178.986 176.870 -0.504 0.000 1.099 288 L CA 0.419 54.910 54.840 -0.581 0.000 0.816 288 L CB -0.519 41.230 42.059 -0.517 0.000 0.952 288 L HN 0.073 nan 8.230 nan 0.000 0.455 289 F N 0.843 120.639 119.950 -0.255 0.000 2.091 289 F HA -0.122 4.406 4.527 0.001 0.000 0.299 289 F C 0.024 175.739 175.800 -0.141 0.000 1.103 289 F CA 0.682 58.569 58.000 -0.189 0.000 1.228 289 F CB -2.694 36.248 39.000 -0.096 0.000 0.984 289 F HN 0.110 nan 8.300 nan 0.000 0.477 290 P HA -0.214 nan 4.420 nan 0.000 0.219 290 P C 0.749 178.194 177.300 0.241 0.000 1.144 290 P CA 1.731 64.949 63.100 0.197 0.000 0.806 290 P CB -0.375 31.497 31.700 0.286 0.000 0.771 291 F N -6.312 113.664 119.950 0.043 0.000 2.901 291 F HA 0.683 5.211 4.527 0.001 0.000 0.329 291 F C 1.457 177.259 175.800 0.002 0.000 1.185 291 F CA -0.374 57.633 58.000 0.011 0.000 1.114 291 F CB -0.782 38.211 39.000 -0.012 0.000 1.199 291 F HN -0.262 nan 8.300 nan 0.000 0.513 292 A N 1.308 123.963 122.820 -0.274 0.000 2.032 292 A HA 0.016 4.336 4.320 0.001 0.000 0.221 292 A C 2.337 179.873 177.584 -0.079 0.000 1.165 292 A CA 1.842 53.739 52.037 -0.234 0.000 0.645 292 A CB -1.022 17.903 19.000 -0.126 0.000 0.807 292 A HN 0.664 nan 8.150 nan 0.000 0.453 293 A N -1.377 121.433 122.820 -0.018 0.000 2.125 293 A HA -0.148 4.173 4.320 0.001 0.000 0.219 293 A C 2.024 179.628 177.584 0.033 0.000 1.156 293 A CA 1.594 53.637 52.037 0.010 0.000 0.671 293 A CB -0.331 18.682 19.000 0.023 0.000 0.794 293 A HN 0.676 nan 8.150 nan 0.000 0.459 294 Q N -0.879 118.960 119.800 0.064 0.000 2.392 294 Q HA 0.234 4.575 4.340 0.001 0.000 0.219 294 Q C -0.124 175.924 176.000 0.079 0.000 0.895 294 Q CA -0.217 55.642 55.803 0.094 0.000 0.929 294 Q CB 0.156 29.000 28.738 0.177 0.000 1.077 294 Q HN 0.643 nan 8.270 nan 0.000 0.532 295 I N 2.243 122.845 120.570 0.054 0.000 2.581 295 I HA -0.069 4.102 4.170 0.001 0.000 0.285 295 I C 0.974 177.100 176.117 0.014 0.000 1.129 295 I CA 0.574 61.890 61.300 0.026 0.000 1.397 295 I CB 0.523 38.495 38.000 -0.047 0.000 1.399 295 I HN 0.170 nan 8.210 nan 0.000 0.537 296 R N 4.425 124.936 120.500 0.018 0.000 2.307 296 R HA 0.213 4.554 4.340 0.001 0.000 0.200 296 R C 0.299 176.602 176.300 0.006 0.000 0.893 296 R CA -0.039 56.069 56.100 0.014 0.000 1.042 296 R CB 0.457 30.766 30.300 0.016 0.000 1.059 296 R HN 0.431 nan 8.270 nan 0.000 0.530 297 K N 1.094 121.494 120.400 -0.000 0.000 2.482 297 K HA 0.349 4.670 4.320 0.001 0.000 0.251 297 K C -1.937 174.654 176.600 -0.016 0.000 0.936 297 K CA -0.662 55.620 56.287 -0.009 0.000 0.791 297 K CB 1.585 34.074 32.500 -0.019 0.000 1.213 297 K HN -0.184 nan 8.250 nan 0.000 0.428 298 L N 3.078 124.292 121.223 -0.014 0.000 2.385 298 L HA 0.427 4.768 4.340 0.001 0.000 0.273 298 L C -1.452 175.411 176.870 -0.012 0.000 0.990 298 L CA -0.258 54.570 54.840 -0.021 0.000 0.821 298 L CB 1.903 43.948 42.059 -0.024 0.000 1.279 298 L HN 0.639 nan 8.230 nan 0.000 0.412 299 D N 4.404 124.798 120.400 -0.010 0.000 2.434 299 D HA 0.273 4.914 4.640 0.001 0.000 0.275 299 D C -0.038 176.269 176.300 0.012 0.000 1.172 299 D CA -0.113 53.895 54.000 0.013 0.000 0.916 299 D CB 0.443 41.267 40.800 0.041 0.000 1.041 299 D HN 0.496 nan 8.370 nan 0.000 0.501 300 L N 3.078 124.290 121.223 -0.018 0.000 2.737 300 L HA 0.117 4.458 4.340 0.001 0.000 0.236 300 L C 1.725 178.550 176.870 -0.075 0.000 1.219 300 L CA -0.346 54.470 54.840 -0.039 0.000 1.021 300 L CB 0.194 42.218 42.059 -0.058 0.000 1.291 300 L HN 0.278 nan 8.230 nan 0.000 0.470 301 L N -0.185 120.932 121.223 -0.176 0.000 2.141 301 L HA -0.116 4.224 4.340 0.001 0.000 0.209 301 L C 1.147 177.593 176.870 -0.707 0.000 1.094 301 L CA 1.966 56.520 54.840 -0.477 0.000 0.763 301 L CB -0.509 41.131 42.059 -0.699 0.000 0.908 301 L HN 0.351 nan 8.230 nan 0.000 0.437 302 Y N -1.263 118.994 120.300 -0.073 0.000 2.720 302 Y HA 0.531 5.082 4.550 0.001 0.000 0.268 302 Y C 0.736 176.538 175.900 -0.163 0.000 1.142 302 Y CA -0.425 57.575 58.100 -0.166 0.000 1.193 302 Y CB -0.237 38.036 38.460 -0.310 0.000 1.176 302 Y HN 0.013 nan 8.280 nan 0.000 0.542 303 A N 0.552 123.365 122.820 -0.013 0.000 2.304 303 A HA 0.533 4.854 4.320 0.001 0.000 0.301 303 A C -0.070 177.548 177.584 0.056 0.000 1.132 303 A CA -0.344 51.699 52.037 0.009 0.000 0.819 303 A CB 0.565 19.545 19.000 -0.033 0.000 1.094 303 A HN 0.288 nan 8.150 nan 0.000 0.492 304 L N 3.013 124.287 121.223 0.085 0.000 3.064 304 L HA 0.266 4.607 4.340 0.001 0.000 0.233 304 L C 0.014 176.930 176.870 0.077 0.000 1.333 304 L CA 0.612 55.515 54.840 0.104 0.000 1.140 304 L CB -1.220 40.923 42.059 0.139 0.000 1.519 304 L HN 0.670 nan 8.230 nan 0.000 0.493 305 L N -2.483 118.779 121.223 0.066 0.000 2.354 305 L HA 0.700 5.040 4.340 0.001 0.000 0.269 305 L C -0.190 176.778 176.870 0.164 0.000 1.005 305 L CA -0.707 54.171 54.840 0.064 0.000 0.819 305 L CB 2.234 44.278 42.059 -0.024 0.000 1.311 305 L HN 0.077 nan 8.230 nan 0.000 0.423 306 E N 0.430 120.719 120.200 0.149 0.000 2.280 306 E HA 0.125 4.476 4.350 0.001 0.000 0.261 306 E C 0.456 177.178 176.600 0.203 0.000 1.088 306 E CA -0.269 56.218 56.400 0.146 0.000 0.915 306 E CB 1.619 31.368 29.700 0.082 0.000 1.141 306 E HN 0.779 nan 8.360 nan 0.000 0.433 307 T N -0.151 114.458 114.554 0.091 0.000 2.737 307 T HA -0.253 4.097 4.350 0.001 0.000 0.269 307 T C 1.627 176.383 174.700 0.093 0.000 1.040 307 T CA 2.095 64.217 62.100 0.037 0.000 1.142 307 T CB -0.071 68.784 68.868 -0.022 0.000 0.861 307 T HN 0.528 nan 8.240 nan 0.000 0.456 308 E N -0.042 120.206 120.200 0.079 0.000 2.031 308 E HA -0.170 4.181 4.350 0.001 0.000 0.193 308 E C 1.950 178.602 176.600 0.086 0.000 0.994 308 E CA 1.633 58.074 56.400 0.069 0.000 0.800 308 E CB -0.132 29.599 29.700 0.051 0.000 0.752 308 E HN 0.560 nan 8.360 nan 0.000 0.447 309 D N -0.206 120.253 120.400 0.098 0.000 2.182 309 D HA -0.190 4.450 4.640 0.001 0.000 0.201 309 D C 1.840 178.180 176.300 0.066 0.000 0.986 309 D CA 0.959 55.005 54.000 0.076 0.000 0.847 309 D CB -0.402 40.431 40.800 0.056 0.000 0.942 309 D HN 0.420 nan 8.370 nan 0.000 0.467 310 H N 0.058 119.138 119.070 0.017 0.000 2.319 310 H HA -0.098 4.459 4.556 0.001 0.000 0.299 310 H C 2.422 177.752 175.328 0.003 0.000 1.092 310 H CA 1.313 57.367 56.048 0.011 0.000 1.302 310 H CB -0.081 29.685 29.762 0.008 0.000 1.373 310 H HN 0.250 nan 8.280 nan 0.000 0.497 311 C N -0.072 119.308 119.300 0.133 0.000 2.429 311 C HA -0.130 4.330 4.460 0.001 0.000 0.277 311 C C 3.119 178.100 174.990 -0.015 0.000 1.262 311 C CA 1.486 60.538 59.018 0.056 0.000 1.733 311 C CB -1.103 26.664 27.740 0.046 0.000 2.010 311 C HN 0.695 nan 8.230 nan 0.000 0.483 312 T N -0.319 114.231 114.554 -0.006 0.000 2.821 312 T HA -0.097 4.254 4.350 0.001 0.000 0.267 312 T C 1.737 176.398 174.700 -0.066 0.000 1.046 312 T CA 1.214 63.281 62.100 -0.055 0.000 1.139 312 T CB -0.334 68.526 68.868 -0.014 0.000 0.871 312 T HN 0.550 nan 8.240 nan 0.000 0.454 313 L N 0.048 121.281 121.223 0.015 0.000 2.068 313 L HA 0.072 4.413 4.340 0.001 0.000 0.204 313 L C 2.605 179.453 176.870 -0.038 0.000 1.076 313 L CA 1.088 55.956 54.840 0.046 0.000 0.753 313 L CB -0.344 41.731 42.059 0.026 0.000 0.910 313 L HN 0.265 nan 8.230 nan 0.000 0.439 314 I N -0.084 120.465 120.570 -0.035 0.000 2.151 314 I HA -0.347 3.824 4.170 0.001 0.000 0.243 314 I C 2.535 178.593 176.117 -0.098 0.000 1.080 314 I CA 1.365 62.649 61.300 -0.026 0.000 1.339 314 I CB -1.298 36.721 38.000 0.031 0.000 1.039 314 I HN 0.504 nan 8.210 nan 0.000 0.409 315 Q N 1.633 121.302 119.800 -0.219 0.000 2.197 315 Q HA -0.214 4.127 4.340 0.001 0.000 0.207 315 Q C 1.596 177.337 176.000 -0.432 0.000 0.984 315 Q CA 1.478 56.948 55.803 -0.555 0.000 0.869 315 Q CB 0.034 28.403 28.738 -0.615 0.000 0.906 315 Q HN 0.564 nan 8.270 nan 0.000 0.426 316 K N -1.206 119.041 120.400 -0.254 0.000 2.417 316 K HA 0.115 4.436 4.320 0.001 0.000 0.196 316 K C 0.306 176.842 176.600 -0.106 0.000 1.023 316 K CA -0.119 56.050 56.287 -0.198 0.000 1.122 316 K CB 0.521 32.892 32.500 -0.215 0.000 0.850 316 K HN 0.056 nan 8.250 nan 0.000 0.521 317 C N 2.712 121.968 119.300 -0.074 0.000 3.075 317 C HA 0.214 4.675 4.460 0.001 0.000 0.262 317 C C -1.257 173.740 174.990 0.012 0.000 1.371 317 C CA -1.351 57.649 59.018 -0.031 0.000 1.594 317 C CB 0.141 27.862 27.740 -0.032 0.000 1.849 317 C HN 0.270 nan 8.230 nan 0.000 0.475 318 P HA -0.126 nan 4.420 nan 0.000 0.221 318 P C 0.736 178.065 177.300 0.047 0.000 1.145 318 P CA 1.540 64.678 63.100 0.064 0.000 0.795 318 P CB 0.226 31.962 31.700 0.060 0.000 0.775 319 N N -0.694 118.026 118.700 0.032 0.000 2.230 319 N HA 0.064 4.805 4.740 0.001 0.000 0.202 319 N C 0.410 175.936 175.510 0.027 0.000 1.119 319 N CA -0.370 52.698 53.050 0.029 0.000 0.851 319 N CB -0.001 38.502 38.487 0.026 0.000 0.990 319 N HN 0.117 nan 8.380 nan 0.000 0.497 320 L N 2.811 124.050 121.223 0.027 0.000 2.660 320 L HA -0.081 4.260 4.340 0.001 0.000 0.272 320 L C 1.386 178.275 176.870 0.031 0.000 1.194 320 L CA 0.739 55.594 54.840 0.025 0.000 0.945 320 L CB 0.300 42.376 42.059 0.028 0.000 1.212 320 L HN 0.235 nan 8.230 nan 0.000 0.490 321 E N 3.296 123.512 120.200 0.027 0.000 2.447 321 E HA 0.166 4.516 4.350 0.001 0.000 0.204 321 E C -0.317 176.303 176.600 0.033 0.000 0.977 321 E CA -0.098 56.321 56.400 0.032 0.000 0.950 321 E CB 0.394 30.110 29.700 0.027 0.000 0.975 321 E HN 0.360 nan 8.360 nan 0.000 0.496 322 V N 2.181 122.109 119.914 0.023 0.000 2.577 322 V HA 0.379 4.499 4.120 0.001 0.000 0.303 322 V C -1.267 174.841 176.094 0.024 0.000 1.042 322 V CA -0.973 61.340 62.300 0.021 0.000 0.872 322 V CB 1.954 33.774 31.823 -0.006 0.000 0.998 322 V HN 0.200 nan 8.190 nan 0.000 0.423 323 L N 4.327 125.575 121.223 0.042 0.000 2.381 323 L HA 0.718 5.059 4.340 0.001 0.000 0.274 323 L C -0.538 176.363 176.870 0.051 0.000 0.988 323 L CA 0.156 55.021 54.840 0.043 0.000 0.824 323 L CB 2.039 44.130 42.059 0.055 0.000 1.263 323 L HN 0.704 nan 8.230 nan 0.000 0.410 324 E N 2.817 123.038 120.200 0.034 0.000 2.199 324 E HA 0.695 5.046 4.350 0.001 0.000 0.269 324 E C -1.110 175.502 176.600 0.020 0.000 0.899 324 E CA -0.619 55.800 56.400 0.031 0.000 0.772 324 E CB 2.189 31.896 29.700 0.013 0.000 1.155 324 E HN 0.685 nan 8.360 nan 0.000 0.408 325 T N 0.966 115.531 114.554 0.019 0.000 2.749 325 T HA 0.307 4.658 4.350 0.001 0.000 0.310 325 T C -1.179 173.511 174.700 -0.017 0.000 1.496 325 T CA -0.730 61.386 62.100 0.026 0.000 1.006 325 T CB 1.035 69.986 68.868 0.139 0.000 1.457 325 T HN 0.362 nan 8.240 nan 0.000 0.497 326 R N 1.177 121.660 120.500 -0.029 0.000 2.580 326 R HA 0.328 4.669 4.340 0.001 0.000 0.267 326 R C 1.671 177.923 176.300 -0.080 0.000 1.125 326 R CA -0.043 56.015 56.100 -0.070 0.000 1.188 326 R CB 0.214 30.467 30.300 -0.077 0.000 1.155 326 R HN 0.834 nan 8.270 nan 0.000 0.586 327 N N -0.381 118.270 118.700 -0.081 0.000 2.550 327 N HA -0.096 4.645 4.740 0.001 0.000 0.186 327 N C 1.055 176.493 175.510 -0.120 0.000 1.110 327 N CA 0.220 53.224 53.050 -0.077 0.000 0.912 327 N CB -0.021 38.442 38.487 -0.040 0.000 0.968 327 N HN 0.150 nan 8.380 nan 0.000 0.448 328 V N 1.493 121.320 119.914 -0.146 0.000 2.527 328 V HA -0.265 3.856 4.120 0.001 0.000 0.255 328 V C 2.381 178.251 176.094 -0.373 0.000 1.081 328 V CA 1.329 63.514 62.300 -0.191 0.000 1.092 328 V CB -0.753 30.991 31.823 -0.131 0.000 0.673 328 V HN 0.375 nan 8.190 nan 0.000 0.470 329 I N 0.774 121.008 120.570 -0.559 0.000 2.229 329 I HA -0.123 4.048 4.170 0.001 0.000 0.250 329 I C 1.325 177.303 176.117 -0.232 0.000 1.096 329 I CA 1.501 62.471 61.300 -0.550 0.000 1.358 329 I CB -0.790 37.057 38.000 -0.256 0.000 1.047 329 I HN 0.514 nan 8.210 nan 0.000 0.422 330 G N -0.209 108.501 108.800 -0.149 0.000 2.916 330 G HA2 -0.297 3.664 3.960 0.001 0.000 0.533 330 G HA3 -0.297 3.664 3.960 0.001 0.000 0.533 330 G C 0.408 175.286 174.900 -0.037 0.000 1.516 330 G CA 0.008 45.064 45.100 -0.074 0.000 0.944 330 G HN 0.349 nan 8.290 nan 0.000 0.555 331 D N 0.081 120.470 120.400 -0.017 0.000 2.149 331 D HA -0.126 4.515 4.640 0.001 0.000 0.198 331 D C 2.382 178.685 176.300 0.005 0.000 0.990 331 D CA 1.497 55.497 54.000 -0.001 0.000 0.839 331 D CB -0.008 40.794 40.800 0.004 0.000 0.948 331 D HN 0.535 nan 8.370 nan 0.000 0.460 332 R N 0.429 120.930 120.500 0.003 0.000 2.091 332 R HA -0.114 4.227 4.340 0.001 0.000 0.238 332 R C 2.355 178.671 176.300 0.027 0.000 1.136 332 R CA 1.711 57.821 56.100 0.015 0.000 0.959 332 R CB -0.450 29.859 30.300 0.015 0.000 0.856 332 R HN 0.168 nan 8.270 nan 0.000 0.437 333 G N 0.523 109.331 108.800 0.014 0.000 2.402 333 G HA2 -0.216 3.745 3.960 0.001 0.000 0.216 333 G HA3 -0.216 3.745 3.960 0.001 0.000 0.216 333 G C 1.412 176.340 174.900 0.046 0.000 1.162 333 G CA 0.606 45.726 45.100 0.033 0.000 0.777 333 G HN 0.233 nan 8.290 nan 0.000 0.539 334 L N 0.004 121.243 121.223 0.028 0.000 2.083 334 L HA -0.070 4.271 4.340 0.001 0.000 0.209 334 L C 2.841 179.736 176.870 0.042 0.000 1.083 334 L CA 1.230 56.092 54.840 0.036 0.000 0.752 334 L CB -0.430 41.645 42.059 0.026 0.000 0.899 334 L HN 0.289 nan 8.230 nan 0.000 0.433 335 E N -0.309 119.913 120.200 0.037 0.000 2.077 335 E HA -0.195 4.155 4.350 0.001 0.000 0.193 335 E C 2.246 178.886 176.600 0.065 0.000 0.989 335 E CA 1.406 57.827 56.400 0.035 0.000 0.800 335 E CB -0.027 29.690 29.700 0.028 0.000 0.746 335 E HN 0.261 nan 8.360 nan 0.000 0.452 336 V N 1.125 121.102 119.914 0.105 0.000 2.287 336 V HA -0.258 3.863 4.120 0.001 0.000 0.248 336 V C 2.300 178.536 176.094 0.237 0.000 1.053 336 V CA 1.480 63.904 62.300 0.206 0.000 1.027 336 V CB -0.447 31.466 31.823 0.151 0.000 0.646 336 V HN 0.250 nan 8.190 nan 0.000 0.447 337 L N 0.771 122.078 121.223 0.140 0.000 2.127 337 L HA -0.102 4.239 4.340 0.001 0.000 0.211 337 L C 2.461 179.383 176.870 0.086 0.000 1.089 337 L CA 2.108 57.019 54.840 0.118 0.000 0.757 337 L CB -0.892 41.218 42.059 0.084 0.000 0.899 337 L HN 0.252 nan 8.230 nan 0.000 0.434 338 A N -0.809 122.042 122.820 0.052 0.000 1.940 338 A HA -0.254 4.067 4.320 0.001 0.000 0.219 338 A C 2.153 179.712 177.584 -0.043 0.000 1.176 338 A CA 2.019 54.056 52.037 0.000 0.000 0.631 338 A CB -0.446 18.543 19.000 -0.018 0.000 0.814 338 A HN 0.744 nan 8.150 nan 0.000 0.446 339 Q N -3.465 116.284 119.800 -0.085 0.000 2.245 339 Q HA 0.131 4.472 4.340 0.001 0.000 0.236 339 Q C 1.290 177.112 176.000 -0.297 0.000 0.842 339 Q CA 0.097 55.772 55.803 -0.213 0.000 0.945 339 Q CB -0.138 28.408 28.738 -0.321 0.000 1.122 339 Q HN 0.622 nan 8.270 nan 0.000 0.506 340 Y N 0.755 121.050 120.300 -0.008 0.000 2.365 340 Y HA 0.123 4.674 4.550 0.001 0.000 0.293 340 Y C 0.983 176.881 175.900 -0.004 0.000 1.119 340 Y CA 0.257 58.352 58.100 -0.009 0.000 1.203 340 Y CB 0.767 39.220 38.460 -0.012 0.000 1.026 340 Y HN 0.158 nan 8.280 nan 0.000 0.549 341 C N 2.090 121.470 119.300 0.135 0.000 2.288 341 C HA 0.285 4.746 4.460 0.001 0.000 0.328 341 C C 1.207 176.227 174.990 0.050 0.000 1.071 341 C CA -1.318 57.751 59.018 0.086 0.000 1.594 341 C CB -0.247 27.544 27.740 0.084 0.000 1.700 341 C HN 0.301 nan 8.230 nan 0.000 0.436 342 K N 0.926 121.346 120.400 0.033 0.000 2.365 342 K HA -0.025 4.296 4.320 0.001 0.000 0.197 342 K C 1.565 178.182 176.600 0.028 0.000 1.042 342 K CA 0.932 57.230 56.287 0.018 0.000 0.987 342 K CB 0.210 32.712 32.500 0.003 0.000 0.779 342 K HN 0.666 nan 8.250 nan 0.000 0.484 343 Q N 0.463 120.284 119.800 0.034 0.000 2.403 343 Q HA 0.050 4.391 4.340 0.001 0.000 0.203 343 Q C 0.513 176.539 176.000 0.043 0.000 0.932 343 Q CA -0.218 55.606 55.803 0.036 0.000 0.945 343 Q CB -0.459 28.298 28.738 0.032 0.000 1.045 343 Q HN 0.083 nan 8.270 nan 0.000 0.511 344 L N 2.611 123.863 121.223 0.049 0.000 2.667 344 L HA -0.133 4.208 4.340 0.001 0.000 0.278 344 L C 1.007 177.919 176.870 0.069 0.000 1.217 344 L CA 0.903 55.778 54.840 0.058 0.000 0.935 344 L CB 0.455 42.552 42.059 0.064 0.000 1.193 344 L HN -0.057 nan 8.230 nan 0.000 0.493 345 K N 4.799 125.242 120.400 0.072 0.000 2.350 345 K HA 0.235 4.556 4.320 0.001 0.000 0.196 345 K C -0.081 176.595 176.600 0.126 0.000 1.084 345 K CA 0.420 56.759 56.287 0.087 0.000 0.967 345 K CB 0.576 33.115 32.500 0.065 0.000 0.950 345 K HN 0.571 nan 8.250 nan 0.000 0.512 346 R N 0.828 121.401 120.500 0.121 0.000 2.574 346 R HA 0.473 4.813 4.340 0.001 0.000 0.288 346 R C -1.383 175.026 176.300 0.181 0.000 1.004 346 R CA -0.782 55.431 56.100 0.190 0.000 0.895 346 R CB 1.807 32.147 30.300 0.067 0.000 1.191 346 R HN -0.117 nan 8.270 nan 0.000 0.444 347 L N 1.775 123.157 121.223 0.264 0.000 2.439 347 L HA 0.533 4.873 4.340 0.001 0.000 0.270 347 L C -1.264 175.736 176.870 0.218 0.000 0.972 347 L CA -0.454 54.495 54.840 0.182 0.000 0.836 347 L CB 1.914 44.046 42.059 0.122 0.000 1.255 347 L HN 0.683 nan 8.230 nan 0.000 0.404 348 R N 5.943 126.553 120.500 0.184 0.000 2.439 348 R HA 0.651 4.992 4.340 0.001 0.000 0.310 348 R C -1.463 174.897 176.300 0.100 0.000 0.955 348 R CA -0.646 55.559 56.100 0.175 0.000 0.853 348 R CB 1.155 31.590 30.300 0.225 0.000 1.171 348 R HN 0.689 nan 8.270 nan 0.000 0.449 349 I N 4.434 125.055 120.570 0.084 0.000 2.388 349 I HA 0.254 4.425 4.170 0.001 0.000 0.281 349 I C 0.362 176.552 176.117 0.121 0.000 1.046 349 I CA -0.505 60.836 61.300 0.068 0.000 1.187 349 I CB 0.895 38.925 38.000 0.049 0.000 1.351 349 I HN 0.584 nan 8.210 nan 0.000 0.472 350 E N 4.840 125.069 120.200 0.048 0.000 2.391 350 E HA 0.177 4.528 4.350 0.001 0.000 0.255 350 E C 0.302 176.790 176.600 -0.185 0.000 1.187 350 E CA -0.426 55.955 56.400 -0.033 0.000 0.941 350 E CB 1.313 30.946 29.700 -0.112 0.000 1.010 350 E HN 0.517 nan 8.360 nan 0.000 0.458 351 R N -0.595 119.586 120.500 -0.531 0.000 2.404 351 R HA 0.525 4.865 4.340 0.001 0.000 0.291 351 R C 0.390 176.533 176.300 -0.262 0.000 1.025 351 R CA -0.361 55.473 56.100 -0.443 0.000 0.991 351 R CB 0.910 30.774 30.300 -0.727 0.000 1.053 351 R HN 0.424 nan 8.270 nan 0.000 0.479 352 G N 1.138 109.844 108.800 -0.158 0.000 2.543 352 G HA2 0.456 4.416 3.960 0.001 0.000 0.267 352 G HA3 0.456 4.416 3.960 0.001 0.000 0.267 352 G C -0.737 174.117 174.900 -0.077 0.000 1.406 352 G CA -0.739 44.300 45.100 -0.103 0.000 1.048 352 G HN 0.851 nan 8.290 nan 0.000 0.548 353 A N -0.118 122.676 122.820 -0.043 0.000 2.473 353 A HA 0.325 4.646 4.320 0.001 0.000 0.282 353 A C 0.427 177.995 177.584 -0.026 0.000 1.163 353 A CA -0.002 52.020 52.037 -0.026 0.000 0.827 353 A CB -0.129 18.867 19.000 -0.006 0.000 1.098 353 A HN 0.532 nan 8.150 nan 0.000 0.515 354 D N 2.055 122.438 120.400 -0.029 0.000 2.463 354 D HA 0.085 4.726 4.640 0.001 0.000 0.224 354 D C 0.843 177.135 176.300 -0.012 0.000 1.174 354 D CA 0.243 54.228 54.000 -0.025 0.000 0.829 354 D CB 0.551 41.330 40.800 -0.034 0.000 0.993 354 D HN 0.802 nan 8.370 nan 0.000 0.497 355 E N -0.211 119.984 120.200 -0.008 0.000 2.075 355 E HA 0.052 4.402 4.350 0.001 0.000 0.193 355 E C 0.222 176.822 176.600 -0.001 0.000 0.950 355 E CA 0.129 56.527 56.400 -0.003 0.000 0.859 355 E CB 0.319 30.019 29.700 0.000 0.000 0.846 355 E HN 0.004 nan 8.360 nan 0.000 0.467 356 Q N 1.244 121.044 119.800 0.000 0.000 2.673 356 Q HA 0.335 4.676 4.340 0.001 0.000 0.224 356 Q C -0.036 175.964 176.000 0.001 0.000 1.226 356 Q CA -0.019 55.785 55.803 0.002 0.000 1.019 356 Q CB 0.618 29.359 28.738 0.004 0.000 1.312 356 Q HN 0.423 nan 8.270 nan 0.000 0.566 357 G N 2.610 111.410 108.800 -0.001 0.000 2.880 357 G HA2 -0.235 3.725 3.960 0.001 0.000 0.686 357 G HA3 -0.235 3.725 3.960 0.001 0.000 0.686 357 G C 0.333 175.230 174.900 -0.004 0.000 1.505 357 G CA -0.788 44.311 45.100 -0.001 0.000 1.057 357 G HN 0.512 nan 8.290 nan 0.000 0.599 358 M N 1.578 121.174 119.600 -0.007 0.000 3.235 358 M HA 0.066 4.547 4.480 0.001 0.000 0.184 358 M C 1.478 177.770 176.300 -0.013 0.000 1.325 358 M CA 1.531 56.823 55.300 -0.013 0.000 1.374 358 M CB -1.846 30.745 32.600 -0.015 0.000 1.620 358 M HN 0.953 nan 8.290 nan 0.000 0.429 359 E N -0.018 120.179 120.200 -0.006 0.000 4.924 359 E HA -0.257 4.094 4.350 0.001 0.000 0.229 359 E C -0.291 176.313 176.600 0.007 0.000 0.912 359 E CA 2.095 58.496 56.400 0.002 0.000 1.857 359 E CB -0.567 29.132 29.700 -0.001 0.000 1.787 359 E HN 0.779 nan 8.360 nan 0.000 0.427 360 D N -1.396 119.004 120.400 0.000 0.000 2.738 360 D HA 0.211 4.852 4.640 0.001 0.000 0.308 360 D C -0.324 175.975 176.300 -0.001 0.000 1.311 360 D CA -0.584 53.419 54.000 0.004 0.000 0.799 360 D CB 0.197 41.003 40.800 0.010 0.000 1.332 360 D HN -0.059 nan 8.370 nan 0.000 0.441 361 E N -0.653 119.549 120.200 0.002 0.000 2.320 361 E HA 0.128 4.479 4.350 0.001 0.000 0.189 361 E C -0.090 176.509 176.600 -0.001 0.000 1.100 361 E CA 0.487 56.887 56.400 0.001 0.000 1.009 361 E CB -0.154 29.549 29.700 0.003 0.000 1.145 361 E HN 0.454 nan 8.360 nan 0.000 0.454 362 E N -2.045 118.151 120.200 -0.006 0.000 2.633 362 E HA 0.134 4.485 4.350 0.001 0.000 0.222 362 E C 0.888 177.473 176.600 -0.025 0.000 0.899 362 E CA 0.223 56.617 56.400 -0.011 0.000 1.292 362 E CB 0.808 30.504 29.700 -0.007 0.000 1.257 362 E HN 0.171 nan 8.360 nan 0.000 0.626 363 G N 1.951 110.734 108.800 -0.029 0.000 3.325 363 G HA2 0.266 4.226 3.960 0.001 0.000 0.242 363 G HA3 0.266 4.226 3.960 0.001 0.000 0.242 363 G C -0.260 174.618 174.900 -0.036 0.000 1.120 363 G CA 0.296 45.369 45.100 -0.046 0.000 1.778 363 G HN -0.122 nan 8.290 nan 0.000 0.610 364 L N 0.053 121.259 121.223 -0.028 0.000 2.410 364 L HA 0.541 4.881 4.340 0.001 0.000 0.270 364 L C -0.005 176.856 176.870 -0.015 0.000 0.983 364 L CA -1.103 53.727 54.840 -0.016 0.000 0.822 364 L CB 2.315 44.370 42.059 -0.008 0.000 1.285 364 L HN 0.017 nan 8.230 nan 0.000 0.409 365 V N 0.549 120.459 119.914 -0.007 0.000 2.732 365 V HA 1.035 5.156 4.120 0.001 0.000 0.310 365 V C -0.160 175.939 176.094 0.009 0.000 1.053 365 V CA 0.164 62.464 62.300 -0.000 0.000 0.957 365 V CB 1.824 33.648 31.823 0.001 0.000 1.018 365 V HN 0.988 nan 8.190 nan 0.000 0.452 366 S N 2.532 118.240 115.700 0.015 0.000 2.790 366 S HA 0.420 4.891 4.470 0.001 0.000 0.292 366 S C 0.498 175.116 174.600 0.029 0.000 1.197 366 S CA -0.154 58.058 58.200 0.020 0.000 0.851 366 S CB 1.371 64.580 63.200 0.015 0.000 1.217 366 S HN 0.739 nan 8.310 nan 0.000 0.526 367 Q N 0.698 120.518 119.800 0.032 0.000 2.133 367 Q HA -0.107 4.234 4.340 0.001 0.000 0.208 367 Q C 2.132 178.153 176.000 0.036 0.000 0.991 367 Q CA 2.299 58.127 55.803 0.040 0.000 0.867 367 Q CB -0.457 28.303 28.738 0.037 0.000 0.911 367 Q HN 0.679 nan 8.270 nan 0.000 0.417 368 R N 0.051 120.566 120.500 0.026 0.000 2.080 368 R HA -0.147 4.194 4.340 0.001 0.000 0.236 368 R C 2.295 178.608 176.300 0.020 0.000 1.137 368 R CA 1.783 57.895 56.100 0.020 0.000 0.943 368 R CB -0.768 29.541 30.300 0.015 0.000 0.846 368 R HN 0.404 nan 8.270 nan 0.000 0.431 369 G N 0.681 109.494 108.800 0.022 0.000 2.404 369 G HA2 -0.208 3.752 3.960 0.001 0.000 0.215 369 G HA3 -0.208 3.752 3.960 0.001 0.000 0.215 369 G C 1.488 176.409 174.900 0.034 0.000 1.174 369 G CA 0.733 45.847 45.100 0.023 0.000 0.780 369 G HN 0.235 nan 8.290 nan 0.000 0.537 370 L N 0.014 121.266 121.223 0.048 0.000 1.989 370 L HA -0.054 4.287 4.340 0.001 0.000 0.211 370 L C 2.732 179.640 176.870 0.064 0.000 1.071 370 L CA 1.165 56.048 54.840 0.072 0.000 0.749 370 L CB -0.393 41.724 42.059 0.097 0.000 0.890 370 L HN 0.249 nan 8.230 nan 0.000 0.431 371 I N -0.366 120.235 120.570 0.051 0.000 2.315 371 I HA -0.255 3.915 4.170 0.001 0.000 0.248 371 I C 2.615 178.730 176.117 -0.002 0.000 1.117 371 I CA 1.219 62.543 61.300 0.040 0.000 1.404 371 I CB -0.034 37.992 38.000 0.043 0.000 1.071 371 I HN 0.190 nan 8.210 nan 0.000 0.419 372 A N 0.673 123.490 122.820 -0.004 0.000 1.883 372 A HA -0.247 4.074 4.320 0.001 0.000 0.217 372 A C 2.209 179.771 177.584 -0.036 0.000 1.186 372 A CA 2.005 54.025 52.037 -0.028 0.000 0.624 372 A CB -1.078 17.916 19.000 -0.010 0.000 0.822 372 A HN 0.506 nan 8.150 nan 0.000 0.444 373 L N -0.176 121.047 121.223 0.000 0.000 1.989 373 L HA -0.101 4.240 4.340 0.001 0.000 0.211 373 L C 2.759 179.632 176.870 0.005 0.000 1.071 373 L CA 2.323 57.173 54.840 0.015 0.000 0.749 373 L CB -0.929 41.160 42.059 0.049 0.000 0.890 373 L HN 0.378 nan 8.230 nan 0.000 0.431 374 A N -1.168 121.665 122.820 0.021 0.000 1.927 374 A HA -0.323 3.998 4.320 0.001 0.000 0.220 374 A C 2.195 179.718 177.584 -0.101 0.000 1.185 374 A CA 2.281 54.340 52.037 0.037 0.000 0.639 374 A CB -0.647 18.416 19.000 0.105 0.000 0.820 374 A HN 0.713 nan 8.150 nan 0.000 0.451 375 Q N -1.399 118.240 119.800 -0.268 0.000 2.187 375 Q HA 0.009 4.350 4.340 0.001 0.000 0.199 375 Q C 2.207 178.036 176.000 -0.284 0.000 0.957 375 Q CA 0.903 56.377 55.803 -0.548 0.000 0.857 375 Q CB -0.217 28.199 28.738 -0.537 0.000 0.929 375 Q HN 0.679 nan 8.270 nan 0.000 0.453 376 G N -0.010 108.700 108.800 -0.149 0.000 2.408 376 G HA2 -0.116 3.845 3.960 0.001 0.000 0.213 376 G HA3 -0.116 3.845 3.960 0.001 0.000 0.213 376 G C 0.546 175.421 174.900 -0.042 0.000 1.177 376 G CA 0.215 45.261 45.100 -0.090 0.000 0.802 376 G HN 0.318 nan 8.290 nan 0.000 0.533 377 C N 1.844 121.138 119.300 -0.011 0.000 2.478 377 C HA 0.404 4.865 4.460 0.001 0.000 0.471 377 C C 1.450 176.467 174.990 0.045 0.000 1.146 377 C CA -0.703 58.330 59.018 0.025 0.000 1.532 377 C CB -0.753 27.014 27.740 0.044 0.000 1.622 377 C HN 0.498 nan 8.230 nan 0.000 0.568 378 Q N 0.090 119.915 119.800 0.041 0.000 2.482 378 Q HA -0.052 4.289 4.340 0.001 0.000 0.209 378 Q C 1.441 177.485 176.000 0.073 0.000 0.961 378 Q CA 0.794 56.638 55.803 0.070 0.000 0.945 378 Q CB 0.329 29.115 28.738 0.080 0.000 1.012 378 Q HN 0.756 nan 8.270 nan 0.000 0.515 379 E N 0.262 120.500 120.200 0.064 0.000 2.474 379 E HA 0.074 4.425 4.350 0.001 0.000 0.194 379 E C -0.148 176.500 176.600 0.080 0.000 1.041 379 E CA -0.245 56.194 56.400 0.065 0.000 0.874 379 E CB 0.361 30.092 29.700 0.053 0.000 0.914 379 E HN 0.290 nan 8.360 nan 0.000 0.498 380 L N 1.904 123.182 121.223 0.092 0.000 2.640 380 L HA -0.135 4.205 4.340 0.001 0.000 0.280 380 L C 1.123 178.072 176.870 0.132 0.000 1.229 380 L CA 0.756 55.666 54.840 0.117 0.000 0.919 380 L CB 0.293 42.428 42.059 0.128 0.000 1.168 380 L HN 0.185 nan 8.230 nan 0.000 0.496 381 E N 2.648 122.940 120.200 0.152 0.000 2.372 381 E HA 0.006 4.357 4.350 0.001 0.000 0.201 381 E C -0.754 175.993 176.600 0.244 0.000 0.938 381 E CA 0.154 56.656 56.400 0.170 0.000 0.944 381 E CB 0.657 30.442 29.700 0.141 0.000 0.937 381 E HN 0.493 nan 8.360 nan 0.000 0.495 382 Y N 1.257 121.619 120.300 0.104 0.000 2.346 382 Y HA 0.475 5.026 4.550 0.001 0.000 0.332 382 Y C -1.331 174.628 175.900 0.098 0.000 0.985 382 Y CA -0.942 57.222 58.100 0.107 0.000 1.112 382 Y CB 1.259 39.763 38.460 0.074 0.000 1.170 382 Y HN -0.204 nan 8.280 nan 0.000 0.447 383 M N 6.341 125.803 119.600 -0.230 0.000 2.165 383 M HA 0.823 5.303 4.480 0.001 0.000 0.283 383 M C -2.005 173.990 176.300 -0.510 0.000 0.978 383 M CA -0.518 54.668 55.300 -0.191 0.000 0.948 383 M CB 1.302 33.937 32.600 0.058 0.000 1.599 383 M HN 0.854 nan 8.290 nan 0.000 0.450 384 A N 4.612 127.191 122.820 -0.402 0.000 2.359 384 A HA 0.842 5.163 4.320 0.001 0.000 0.303 384 A C -1.709 175.756 177.584 -0.198 0.000 1.066 384 A CA -0.565 51.236 52.037 -0.394 0.000 0.730 384 A CB 1.826 20.639 19.000 -0.313 0.000 1.211 384 A HN 0.616 nan 8.150 nan 0.000 0.439 385 V N 2.803 122.554 119.914 -0.271 0.000 2.711 385 V HA 0.291 4.411 4.120 0.001 0.000 0.304 385 V C -1.723 174.261 176.094 -0.184 0.000 1.097 385 V CA -0.393 61.822 62.300 -0.143 0.000 0.906 385 V CB 1.797 33.534 31.823 -0.144 0.000 1.015 385 V HN 0.817 nan 8.190 nan 0.000 0.427 386 Y N 3.664 123.904 120.300 -0.101 0.000 2.425 386 Y HA 0.578 5.129 4.550 0.001 0.000 0.347 386 Y C 0.218 176.076 175.900 -0.070 0.000 0.976 386 Y CA -0.162 57.885 58.100 -0.090 0.000 1.190 386 Y CB 1.775 40.190 38.460 -0.075 0.000 1.136 386 Y HN 0.424 nan 8.280 nan 0.000 0.517 387 V N 2.842 122.776 119.914 0.033 0.000 2.667 387 V HA 0.290 4.411 4.120 0.001 0.000 0.308 387 V C 0.412 176.517 176.094 0.019 0.000 1.048 387 V CA -0.078 62.231 62.300 0.014 0.000 0.928 387 V CB 2.183 33.997 31.823 -0.014 0.000 1.004 387 V HN 0.880 nan 8.190 nan 0.000 0.444 388 S N 3.338 119.047 115.700 0.015 0.000 2.501 388 S HA 0.151 4.622 4.470 0.001 0.000 0.220 388 S C -0.020 174.582 174.600 0.003 0.000 0.997 388 S CA 0.499 58.705 58.200 0.010 0.000 0.919 388 S CB -0.069 63.135 63.200 0.006 0.000 0.778 388 S HN 0.898 nan 8.310 nan 0.000 0.523 389 D N -0.156 120.247 120.400 0.004 0.000 2.836 389 D HA 0.424 5.065 4.640 0.001 0.000 0.215 389 D C -1.520 174.788 176.300 0.013 0.000 1.255 389 D CA -0.620 53.383 54.000 0.005 0.000 0.822 389 D CB 0.878 41.683 40.800 0.007 0.000 1.656 389 D HN -0.014 nan 8.370 nan 0.000 0.511 390 I N 0.101 120.680 120.570 0.015 0.000 3.067 390 I HA 0.823 4.994 4.170 0.001 0.000 0.312 390 I C -0.084 176.058 176.117 0.043 0.000 1.073 390 I CA -0.799 60.522 61.300 0.034 0.000 1.016 390 I CB 1.891 39.916 38.000 0.041 0.000 1.227 390 I HN 0.250 nan 8.210 nan 0.000 0.456 391 T N 0.343 114.931 114.554 0.057 0.000 2.900 391 T HA 0.352 4.703 4.350 0.001 0.000 0.295 391 T C 0.617 175.360 174.700 0.072 0.000 1.044 391 T CA -0.552 61.581 62.100 0.056 0.000 0.995 391 T CB 1.092 69.986 68.868 0.045 0.000 1.072 391 T HN 0.642 nan 8.240 nan 0.000 0.473 392 N N 1.736 120.479 118.700 0.071 0.000 2.258 392 N HA -0.141 4.600 4.740 0.001 0.000 0.187 392 N C 1.519 177.061 175.510 0.053 0.000 1.012 392 N CA 1.218 54.311 53.050 0.071 0.000 0.870 392 N CB 0.096 38.619 38.487 0.060 0.000 0.977 392 N HN 0.741 nan 8.380 nan 0.000 0.434 393 E N 0.737 120.964 120.200 0.046 0.000 2.106 393 E HA -0.121 4.229 4.350 0.001 0.000 0.192 393 E C 1.838 178.467 176.600 0.050 0.000 0.984 393 E CA 1.213 57.636 56.400 0.039 0.000 0.806 393 E CB 0.189 29.911 29.700 0.037 0.000 0.750 393 E HN 0.394 nan 8.360 nan 0.000 0.458 394 S N 1.055 116.792 115.700 0.062 0.000 2.355 394 S HA -0.133 4.338 4.470 0.001 0.000 0.222 394 S C 2.186 176.832 174.600 0.076 0.000 1.031 394 S CA 0.832 59.077 58.200 0.075 0.000 0.993 394 S CB -0.696 62.553 63.200 0.082 0.000 0.859 394 S HN 0.255 nan 8.310 nan 0.000 0.453 395 L N 1.400 122.671 121.223 0.080 0.000 2.079 395 L HA -0.151 4.189 4.340 0.001 0.000 0.210 395 L C 2.884 179.750 176.870 -0.008 0.000 1.081 395 L CA 1.728 56.596 54.840 0.047 0.000 0.752 395 L CB -0.797 41.317 42.059 0.092 0.000 0.896 395 L HN 0.387 nan 8.230 nan 0.000 0.433 396 E N 0.119 120.320 120.200 0.002 0.000 2.077 396 E HA -0.190 4.160 4.350 0.001 0.000 0.193 396 E C 2.305 178.894 176.600 -0.017 0.000 0.989 396 E CA 1.723 58.105 56.400 -0.029 0.000 0.800 396 E CB -0.013 29.674 29.700 -0.022 0.000 0.746 396 E HN 0.558 nan 8.360 nan 0.000 0.452 397 S N 0.757 116.483 115.700 0.044 0.000 2.406 397 S HA -0.073 4.398 4.470 0.001 0.000 0.228 397 S C 2.039 176.729 174.600 0.150 0.000 1.020 397 S CA 0.408 58.687 58.200 0.133 0.000 0.965 397 S CB -0.219 63.107 63.200 0.209 0.000 0.798 397 S HN 0.128 nan 8.310 nan 0.000 0.488 398 I N 2.842 123.459 120.570 0.077 0.000 2.118 398 I HA -0.169 4.002 4.170 0.001 0.000 0.241 398 I C 2.846 178.956 176.117 -0.011 0.000 1.070 398 I CA 1.883 63.207 61.300 0.040 0.000 1.327 398 I CB -1.989 35.974 38.000 -0.062 0.000 1.034 398 I HN 0.477 nan 8.210 nan 0.000 0.405 399 G N -0.412 108.343 108.800 -0.074 0.000 2.448 399 G HA2 -0.276 3.685 3.960 0.001 0.000 0.219 399 G HA3 -0.276 3.685 3.960 0.001 0.000 0.219 399 G C 1.777 176.613 174.900 -0.106 0.000 1.127 399 G CA 1.454 46.489 45.100 -0.108 0.000 0.766 399 G HN 0.431 nan 8.290 nan 0.000 0.552 400 T N -1.764 112.719 114.554 -0.119 0.000 2.976 400 T HA 0.077 4.428 4.350 0.001 0.000 0.257 400 T C 2.013 176.539 174.700 -0.290 0.000 1.051 400 T CA 0.813 62.765 62.100 -0.248 0.000 1.141 400 T CB -0.137 68.517 68.868 -0.357 0.000 0.881 400 T HN 0.356 nan 8.240 nan 0.000 0.461 401 Y N 1.064 121.352 120.300 -0.019 0.000 2.301 401 Y HA 0.351 4.902 4.550 0.001 0.000 0.295 401 Y C 0.849 176.751 175.900 0.003 0.000 1.126 401 Y CA -0.075 58.021 58.100 -0.006 0.000 1.154 401 Y CB 0.223 38.684 38.460 0.002 0.000 1.075 401 Y HN 0.161 nan 8.280 nan 0.000 0.534 402 L N 0.198 121.519 121.223 0.162 0.000 2.475 402 L HA 0.480 4.821 4.340 0.001 0.000 0.253 402 L C -0.385 176.526 176.870 0.069 0.000 1.137 402 L CA -0.889 54.019 54.840 0.113 0.000 1.058 402 L CB -0.085 42.046 42.059 0.120 0.000 1.382 402 L HN -0.249 nan 8.230 nan 0.000 0.416 403 K N 1.784 122.213 120.400 0.049 0.000 2.343 403 K HA 0.077 4.397 4.320 0.001 0.000 0.250 403 K C 1.040 177.671 176.600 0.051 0.000 1.087 403 K CA 0.701 57.006 56.287 0.030 0.000 0.853 403 K CB -0.006 32.505 32.500 0.019 0.000 1.133 403 K HN 0.828 nan 8.250 nan 0.000 0.509 404 N N -0.585 118.143 118.700 0.047 0.000 2.666 404 N HA -0.269 4.471 4.740 0.001 0.000 0.249 404 N C -0.947 174.616 175.510 0.088 0.000 1.063 404 N CA 0.780 53.867 53.050 0.062 0.000 0.750 404 N CB -1.706 36.814 38.487 0.056 0.000 0.992 404 N HN 0.427 nan 8.380 nan 0.000 0.542 405 L N -0.501 120.780 121.223 0.097 0.000 2.367 405 L HA 0.110 4.451 4.340 0.001 0.000 0.275 405 L C 0.825 177.783 176.870 0.146 0.000 1.129 405 L CA -0.403 54.519 54.840 0.137 0.000 0.839 405 L CB 0.608 42.754 42.059 0.145 0.000 1.133 405 L HN 0.434 nan 8.230 nan 0.000 0.453 406 C N 1.744 121.149 119.300 0.175 0.000 2.820 406 C HA 0.236 4.696 4.460 0.001 0.000 0.323 406 C C 0.387 175.514 174.990 0.228 0.000 1.279 406 C CA -0.153 58.973 59.018 0.179 0.000 1.790 406 C CB -0.070 27.769 27.740 0.165 0.000 2.328 406 C HN 0.740 nan 8.230 nan 0.000 0.579 407 D N -0.014 120.532 120.400 0.243 0.000 2.763 407 D HA 0.334 4.975 4.640 0.001 0.000 0.235 407 D C -1.703 174.680 176.300 0.139 0.000 1.334 407 D CA -0.095 54.047 54.000 0.237 0.000 0.950 407 D CB 1.000 41.966 40.800 0.277 0.000 1.433 407 D HN 0.179 nan 8.370 nan 0.000 0.580 408 F N 4.127 124.131 119.950 0.089 0.000 2.518 408 F HA 0.572 5.100 4.527 0.001 0.000 0.323 408 F C -0.958 174.828 175.800 -0.023 0.000 1.129 408 F CA -0.536 57.484 58.000 0.034 0.000 0.920 408 F CB 1.033 40.139 39.000 0.176 0.000 1.160 408 F HN 0.162 nan 8.300 nan 0.000 0.440 409 R N 6.815 126.807 120.500 -0.847 0.000 2.575 409 R HA 0.663 5.004 4.340 0.001 0.000 0.293 409 R C -2.048 173.726 176.300 -0.876 0.000 0.983 409 R CA -1.122 54.581 56.100 -0.661 0.000 0.887 409 R CB 2.432 32.527 30.300 -0.341 0.000 1.184 409 R HN 0.561 nan 8.270 nan 0.000 0.445 410 L N 3.454 124.294 121.223 -0.639 0.000 2.409 410 L HA 0.579 4.920 4.340 0.001 0.000 0.272 410 L C -1.499 175.104 176.870 -0.445 0.000 0.980 410 L CA -0.761 53.779 54.840 -0.500 0.000 0.826 410 L CB 2.221 44.127 42.059 -0.255 0.000 1.268 410 L HN 0.447 nan 8.230 nan 0.000 0.407 411 V N 5.848 125.489 119.914 -0.454 0.000 2.531 411 V HA 0.395 4.516 4.120 0.001 0.000 0.301 411 V C -0.340 175.634 176.094 -0.199 0.000 1.034 411 V CA -0.821 61.265 62.300 -0.357 0.000 0.865 411 V CB 1.962 33.369 31.823 -0.693 0.000 0.995 411 V HN 0.655 nan 8.190 nan 0.000 0.424 412 L N 4.786 125.949 121.223 -0.100 0.000 2.275 412 L HA 0.626 4.967 4.340 0.001 0.000 0.288 412 L C -0.305 176.578 176.870 0.020 0.000 1.046 412 L CA -0.168 54.644 54.840 -0.046 0.000 0.805 412 L CB 0.388 42.407 42.059 -0.067 0.000 1.193 412 L HN 0.288 nan 8.230 nan 0.000 0.426 413 L N 2.885 124.137 121.223 0.048 0.000 2.489 413 L HA 0.060 4.401 4.340 0.001 0.000 0.285 413 L C 1.113 177.995 176.870 0.020 0.000 1.259 413 L CA 0.632 55.510 54.840 0.063 0.000 0.828 413 L CB -0.168 41.924 42.059 0.054 0.000 1.094 413 L HN 0.720 nan 8.230 nan 0.000 0.524 414 D N 0.076 120.484 120.400 0.014 0.000 2.349 414 D HA 0.005 4.645 4.640 0.001 0.000 0.214 414 D C 1.806 178.096 176.300 -0.017 0.000 1.063 414 D CA 0.083 54.072 54.000 -0.019 0.000 0.847 414 D CB 0.322 41.103 40.800 -0.031 0.000 0.933 414 D HN 0.334 nan 8.370 nan 0.000 0.513 415 R N 1.282 121.778 120.500 -0.006 0.000 2.088 415 R HA -0.084 4.257 4.340 0.001 0.000 0.232 415 R C 0.414 176.708 176.300 -0.010 0.000 1.136 415 R CA 1.123 57.219 56.100 -0.007 0.000 0.926 415 R CB -0.232 30.066 30.300 -0.003 0.000 0.837 415 R HN -0.016 nan 8.270 nan 0.000 0.429 416 E N 1.287 121.481 120.200 -0.009 0.000 2.413 416 E HA -0.073 4.278 4.350 0.001 0.000 0.263 416 E C 0.818 177.409 176.600 -0.015 0.000 1.015 416 E CA 0.192 56.586 56.400 -0.010 0.000 0.916 416 E CB 0.658 30.354 29.700 -0.007 0.000 0.947 416 E HN 0.331 nan 8.360 nan 0.000 0.440 417 E N 2.182 122.375 120.200 -0.012 0.000 2.042 417 E HA -0.022 4.329 4.350 0.001 0.000 0.189 417 E C 0.214 176.806 176.600 -0.013 0.000 0.974 417 E CA 0.836 57.227 56.400 -0.014 0.000 0.806 417 E CB 0.159 29.853 29.700 -0.011 0.000 0.769 417 E HN 0.311 nan 8.360 nan 0.000 0.451 418 R N 0.785 121.280 120.500 -0.008 0.000 2.265 418 R HA 0.414 4.755 4.340 0.001 0.000 0.319 418 R C -0.551 175.747 176.300 -0.003 0.000 1.006 418 R CA -0.482 55.615 56.100 -0.005 0.000 0.880 418 R CB 1.030 31.329 30.300 -0.001 0.000 1.077 418 R HN -0.068 nan 8.270 nan 0.000 0.454 419 I N 2.091 122.659 120.570 -0.003 0.000 2.354 419 I HA 0.122 4.293 4.170 0.001 0.000 0.292 419 I C 1.284 177.406 176.117 0.009 0.000 0.989 419 I CA 0.112 61.413 61.300 0.001 0.000 1.188 419 I CB 1.802 39.801 38.000 -0.002 0.000 1.342 419 I HN 0.675 nan 8.210 nan 0.000 0.457 420 T N 3.630 118.191 114.554 0.012 0.000 2.238 420 T HA -0.269 4.082 4.350 0.001 0.000 0.209 420 T C 0.243 174.955 174.700 0.019 0.000 1.608 420 T CA 2.208 64.317 62.100 0.016 0.000 1.140 420 T CB -0.425 68.454 68.868 0.019 0.000 0.854 420 T HN 0.844 nan 8.240 nan 0.000 0.402 421 D N 0.446 120.861 120.400 0.026 0.000 2.375 421 D HA 0.487 5.127 4.640 0.001 0.000 0.247 421 D C 0.421 176.744 176.300 0.038 0.000 1.061 421 D CA -0.731 53.288 54.000 0.031 0.000 0.834 421 D CB 1.037 41.857 40.800 0.034 0.000 1.247 421 D HN 0.035 nan 8.370 nan 0.000 0.489 422 L N 2.340 123.585 121.223 0.037 0.000 2.296 422 L HA 0.365 4.705 4.340 0.001 0.000 0.193 422 L C -1.807 175.102 176.870 0.064 0.000 1.123 422 L CA 0.140 55.005 54.840 0.042 0.000 0.805 422 L CB -1.395 40.680 42.059 0.026 0.000 1.004 422 L HN 0.439 nan 8.230 nan 0.000 0.478 423 P HA -0.039 nan 4.420 nan 0.000 0.255 423 P C 0.306 177.670 177.300 0.107 0.000 1.173 423 P CA 1.025 64.172 63.100 0.080 0.000 0.780 423 P CB 0.006 31.744 31.700 0.062 0.000 0.758 424 L N 2.314 123.628 121.223 0.151 0.000 2.653 424 L HA 0.030 4.371 4.340 0.001 0.000 0.231 424 L C 1.191 178.174 176.870 0.189 0.000 1.153 424 L CA 0.049 55.004 54.840 0.191 0.000 0.933 424 L CB -0.213 42.025 42.059 0.299 0.000 1.175 424 L HN 0.246 nan 8.230 nan 0.000 0.473 425 D N 0.645 121.150 120.400 0.176 0.000 2.154 425 D HA -0.246 4.394 4.640 0.001 0.000 0.190 425 D C 1.581 178.029 176.300 0.247 0.000 1.003 425 D CA 1.509 55.656 54.000 0.244 0.000 0.849 425 D CB -0.194 40.744 40.800 0.230 0.000 0.942 425 D HN 0.294 nan 8.370 nan 0.000 0.446 426 N N 0.274 119.066 118.700 0.153 0.000 2.396 426 N HA -0.045 4.696 4.740 0.001 0.000 0.180 426 N C 1.894 177.389 175.510 -0.026 0.000 1.028 426 N CA 0.987 54.061 53.050 0.039 0.000 0.893 426 N CB -0.139 38.367 38.487 0.032 0.000 0.967 426 N HN 0.275 nan 8.380 nan 0.000 0.440 427 G N 1.121 109.940 108.800 0.032 0.000 2.404 427 G HA2 -0.118 3.843 3.960 0.001 0.000 0.213 427 G HA3 -0.118 3.843 3.960 0.001 0.000 0.213 427 G C 1.712 176.603 174.900 -0.014 0.000 1.189 427 G CA 0.481 45.594 45.100 0.022 0.000 0.796 427 G HN 0.126 nan 8.290 nan 0.000 0.532 428 V N 1.294 121.218 119.914 0.016 0.000 2.282 428 V HA -0.254 3.867 4.120 0.001 0.000 0.249 428 V C 2.779 178.776 176.094 -0.160 0.000 1.057 428 V CA 2.287 64.531 62.300 -0.093 0.000 1.032 428 V CB -0.614 31.100 31.823 -0.182 0.000 0.645 428 V HN 0.398 nan 8.190 nan 0.000 0.447 429 R N 0.801 121.199 120.500 -0.169 0.000 2.091 429 R HA -0.191 4.150 4.340 0.001 0.000 0.238 429 R C 2.432 178.469 176.300 -0.440 0.000 1.136 429 R CA 2.232 58.102 56.100 -0.385 0.000 0.959 429 R CB -0.331 29.572 30.300 -0.662 0.000 0.856 429 R HN 0.701 nan 8.270 nan 0.000 0.437 430 S N 0.849 116.362 115.700 -0.312 0.000 2.436 430 S HA -0.092 4.379 4.470 0.001 0.000 0.228 430 S C 1.927 176.387 174.600 -0.234 0.000 1.014 430 S CA 0.488 58.520 58.200 -0.280 0.000 0.950 430 S CB -0.300 62.778 63.200 -0.203 0.000 0.784 430 S HN 0.273 nan 8.310 nan 0.000 0.504 431 L N 2.337 123.435 121.223 -0.209 0.000 1.994 431 L HA 0.115 4.455 4.340 0.001 0.000 0.208 431 L C 2.051 178.780 176.870 -0.235 0.000 1.071 431 L CA 1.623 56.334 54.840 -0.215 0.000 0.745 431 L CB -1.273 40.652 42.059 -0.224 0.000 0.892 431 L HN 0.337 nan 8.230 nan 0.000 0.431 432 L N -1.019 120.043 121.223 -0.269 0.000 2.265 432 L HA -0.192 4.149 4.340 0.001 0.000 0.215 432 L C 2.461 179.219 176.870 -0.186 0.000 1.117 432 L CA 1.009 55.694 54.840 -0.258 0.000 0.782 432 L CB -0.348 41.555 42.059 -0.260 0.000 0.914 432 L HN 0.310 nan 8.230 nan 0.000 0.441 433 I N -0.852 119.573 120.570 -0.242 0.000 2.480 433 I HA -0.070 4.101 4.170 0.001 0.000 0.251 433 I C 2.487 178.516 176.117 -0.147 0.000 1.124 433 I CA 1.070 62.239 61.300 -0.218 0.000 1.444 433 I CB -0.470 37.310 38.000 -0.367 0.000 1.098 433 I HN 0.200 nan 8.210 nan 0.000 0.428 434 G N 0.012 108.720 108.800 -0.153 0.000 2.411 434 G HA2 -0.118 3.843 3.960 0.001 0.000 0.213 434 G HA3 -0.118 3.843 3.960 0.001 0.000 0.213 434 G C 0.751 175.603 174.900 -0.081 0.000 1.166 434 G CA 0.094 45.125 45.100 -0.116 0.000 0.802 434 G HN 0.388 nan 8.290 nan 0.000 0.533 435 C N 2.536 121.784 119.300 -0.087 0.000 2.400 435 C HA 0.320 4.781 4.460 0.001 0.000 0.457 435 C C 1.536 176.504 174.990 -0.037 0.000 1.020 435 C CA -0.951 58.039 59.018 -0.048 0.000 1.258 435 C CB -1.197 26.512 27.740 -0.051 0.000 1.532 435 C HN 0.588 nan 8.230 nan 0.000 0.537 436 K N 0.384 120.769 120.400 -0.025 0.000 2.458 436 K HA 0.086 4.407 4.320 0.001 0.000 0.194 436 K C 1.014 177.619 176.600 0.007 0.000 1.024 436 K CA 0.328 56.605 56.287 -0.016 0.000 1.108 436 K CB 0.133 32.623 32.500 -0.016 0.000 0.846 436 K HN 0.499 nan 8.250 nan 0.000 0.518 437 K N 0.799 121.213 120.400 0.023 0.000 2.404 437 K HA 0.118 4.439 4.320 0.001 0.000 0.194 437 K C -0.072 176.569 176.600 0.067 0.000 1.023 437 K CA -0.347 55.967 56.287 0.044 0.000 1.094 437 K CB 0.159 32.690 32.500 0.051 0.000 0.841 437 K HN 0.041 nan 8.250 nan 0.000 0.523 438 L N 1.810 123.071 121.223 0.064 0.000 2.584 438 L HA -0.069 4.272 4.340 0.001 0.000 0.272 438 L C 1.119 178.062 176.870 0.122 0.000 1.195 438 L CA 0.847 55.750 54.840 0.105 0.000 0.920 438 L CB 0.262 42.364 42.059 0.072 0.000 1.173 438 L HN 0.043 nan 8.230 nan 0.000 0.489 439 R N 3.209 123.813 120.500 0.174 0.000 2.257 439 R HA 0.269 4.610 4.340 0.001 0.000 0.195 439 R C -0.106 176.361 176.300 0.279 0.000 0.921 439 R CA -0.027 56.185 56.100 0.188 0.000 1.069 439 R CB 0.536 30.935 30.300 0.165 0.000 1.115 439 R HN 0.534 nan 8.270 nan 0.000 0.571 440 R N 0.282 120.996 120.500 0.358 0.000 2.599 440 R HA 0.376 4.717 4.340 0.001 0.000 0.295 440 R C -1.562 175.052 176.300 0.523 0.000 0.963 440 R CA -0.617 55.814 56.100 0.552 0.000 0.883 440 R CB 2.112 32.806 30.300 0.657 0.000 1.171 440 R HN -0.141 nan 8.270 nan 0.000 0.450 441 F N 1.447 121.494 119.950 0.162 0.000 2.607 441 F HA 0.621 5.148 4.527 0.001 0.000 0.322 441 F C -1.563 174.127 175.800 -0.184 0.000 1.176 441 F CA -0.502 57.539 58.000 0.069 0.000 0.977 441 F CB 1.808 40.857 39.000 0.081 0.000 1.242 441 F HN 0.678 nan 8.300 nan 0.000 0.465 442 A N 5.327 127.792 122.820 -0.592 0.000 2.371 442 A HA 0.827 5.148 4.320 0.001 0.000 0.311 442 A C -2.216 175.065 177.584 -0.505 0.000 1.068 442 A CA -0.505 51.197 52.037 -0.559 0.000 0.744 442 A CB 1.005 19.823 19.000 -0.303 0.000 1.239 442 A HN 0.704 nan 8.150 nan 0.000 0.435 443 F N 2.099 121.749 119.950 -0.500 0.000 3.034 443 F HA 0.441 4.969 4.527 0.001 0.000 0.371 443 F C -1.576 174.173 175.800 -0.084 0.000 1.233 443 F CA -0.294 57.525 58.000 -0.302 0.000 1.134 443 F CB 1.287 40.110 39.000 -0.295 0.000 1.495 443 F HN 0.585 nan 8.300 nan 0.000 0.563 444 Y N 6.961 127.071 120.300 -0.317 0.000 2.376 444 Y HA 0.670 5.221 4.550 0.001 0.000 0.326 444 Y C -1.056 174.740 175.900 -0.172 0.000 0.970 444 Y CA -0.519 57.480 58.100 -0.168 0.000 1.248 444 Y CB 0.743 39.098 38.460 -0.175 0.000 1.117 444 Y HN 0.484 nan 8.280 nan 0.000 0.476 445 L N 3.720 124.883 121.223 -0.101 0.000 2.818 445 L HA 0.653 4.993 4.340 0.001 0.000 0.230 445 L C -0.398 176.410 176.870 -0.103 0.000 2.013 445 L CA -1.385 53.407 54.840 -0.082 0.000 2.420 445 L CB 0.963 42.977 42.059 -0.075 0.000 2.612 445 L HN 0.355 nan 8.230 nan 0.000 0.595 446 R N -0.692 119.734 120.500 -0.123 0.000 2.888 446 R HA 0.221 4.562 4.340 0.001 0.000 0.264 446 R C 0.390 176.623 176.300 -0.111 0.000 1.045 446 R CA -0.587 55.361 56.100 -0.253 0.000 0.962 446 R CB 1.726 31.915 30.300 -0.185 0.000 1.210 446 R HN 0.373 nan 8.270 nan 0.000 0.479 447 Q N 0.997 120.727 119.800 -0.117 0.000 2.045 447 Q HA -0.105 4.235 4.340 0.001 0.000 0.206 447 Q C 1.596 177.598 176.000 0.002 0.000 0.991 447 Q CA 2.595 58.392 55.803 -0.010 0.000 0.851 447 Q CB -0.791 27.940 28.738 -0.011 0.000 0.911 447 Q HN 0.915 nan 8.270 nan 0.000 0.418 448 G N -0.570 108.223 108.800 -0.011 0.000 2.564 448 G HA2 -0.138 3.822 3.960 0.001 0.000 0.216 448 G HA3 -0.138 3.822 3.960 0.001 0.000 0.216 448 G C 1.348 176.265 174.900 0.029 0.000 1.124 448 G CA 0.828 45.933 45.100 0.008 0.000 0.764 448 G HN 0.510 nan 8.290 nan 0.000 0.550 449 G N -0.358 108.463 108.800 0.034 0.000 2.422 449 G HA2 0.125 4.086 3.960 0.001 0.000 0.218 449 G HA3 0.125 4.086 3.960 0.001 0.000 0.218 449 G C 0.345 175.318 174.900 0.121 0.000 1.146 449 G CA 0.708 45.847 45.100 0.065 0.000 0.769 449 G HN 0.450 nan 8.290 nan 0.000 0.547 450 L N 0.012 121.305 121.223 0.118 0.000 2.472 450 L HA 0.532 4.873 4.340 0.001 0.000 0.260 450 L C 0.041 176.961 176.870 0.084 0.000 0.963 450 L CA -0.500 54.420 54.840 0.134 0.000 0.829 450 L CB 2.361 44.538 42.059 0.196 0.000 1.348 450 L HN 0.156 nan 8.230 nan 0.000 0.408 451 T N -1.580 113.008 114.554 0.057 0.000 2.912 451 T HA 0.345 4.696 4.350 0.001 0.000 0.280 451 T C 0.491 175.195 174.700 0.006 0.000 0.989 451 T CA -0.517 61.599 62.100 0.027 0.000 0.995 451 T CB 1.040 69.912 68.868 0.007 0.000 1.077 451 T HN 0.565 nan 8.240 nan 0.000 0.531 452 D N 0.022 120.425 120.400 0.005 0.000 2.190 452 D HA -0.098 4.542 4.640 0.001 0.000 0.200 452 D C 1.856 178.102 176.300 -0.090 0.000 0.992 452 D CA 0.606 54.600 54.000 -0.010 0.000 0.854 452 D CB -0.182 40.618 40.800 -0.001 0.000 0.936 452 D HN 0.410 nan 8.370 nan 0.000 0.462 453 L N 0.414 121.550 121.223 -0.145 0.000 2.056 453 L HA -0.059 4.282 4.340 0.001 0.000 0.207 453 L C 2.138 178.651 176.870 -0.596 0.000 1.078 453 L CA 1.828 56.469 54.840 -0.333 0.000 0.749 453 L CB -0.849 41.040 42.059 -0.283 0.000 0.901 453 L HN 0.092 nan 8.230 nan 0.000 0.433 454 G N -0.149 108.454 108.800 -0.327 0.000 2.408 454 G HA2 -0.249 3.712 3.960 0.001 0.000 0.217 454 G HA3 -0.249 3.712 3.960 0.001 0.000 0.217 454 G C 1.669 176.556 174.900 -0.021 0.000 1.150 454 G CA 0.526 45.536 45.100 -0.150 0.000 0.776 454 G HN 0.357 nan 8.290 nan 0.000 0.542 455 L N 1.249 122.468 121.223 -0.007 0.000 2.079 455 L HA -0.142 4.199 4.340 0.001 0.000 0.210 455 L C 3.240 180.188 176.870 0.129 0.000 1.081 455 L CA 1.785 56.664 54.840 0.064 0.000 0.752 455 L CB -0.217 41.867 42.059 0.041 0.000 0.896 455 L HN 0.466 nan 8.230 nan 0.000 0.433 456 S N -1.398 114.308 115.700 0.010 0.000 2.423 456 S HA -0.208 4.262 4.470 0.001 0.000 0.231 456 S C 1.913 176.579 174.600 0.110 0.000 1.014 456 S CA 0.669 58.887 58.200 0.029 0.000 0.965 456 S CB -0.585 62.577 63.200 -0.064 0.000 0.785 456 S HN 0.532 nan 8.310 nan 0.000 0.495 457 Y N 1.030 121.383 120.300 0.088 0.000 2.242 457 Y HA 0.008 4.559 4.550 0.001 0.000 0.291 457 Y C 2.374 178.347 175.900 0.123 0.000 1.137 457 Y CA 0.932 59.120 58.100 0.146 0.000 1.181 457 Y CB -0.207 38.336 38.460 0.138 0.000 0.989 457 Y HN 0.283 nan 8.280 nan 0.000 0.527 458 I N -0.476 120.240 120.570 0.244 0.000 2.226 458 I HA -0.251 3.920 4.170 0.001 0.000 0.245 458 I C 2.624 178.796 176.117 0.093 0.000 1.100 458 I CA 1.451 62.830 61.300 0.131 0.000 1.374 458 I CB -0.705 37.418 38.000 0.205 0.000 1.057 458 I HN 0.231 nan 8.210 nan 0.000 0.413 459 G N -0.521 108.342 108.800 0.105 0.000 2.443 459 G HA2 -0.246 3.714 3.960 0.001 0.000 0.219 459 G HA3 -0.246 3.714 3.960 0.001 0.000 0.219 459 G C 1.580 176.360 174.900 -0.200 0.000 1.131 459 G CA 0.295 45.273 45.100 -0.204 0.000 0.775 459 G HN 0.373 nan 8.290 nan 0.000 0.547 460 Q N -1.063 118.641 119.800 -0.160 0.000 2.163 460 Q HA 0.059 4.400 4.340 0.001 0.000 0.198 460 Q C 0.682 176.378 176.000 -0.505 0.000 0.954 460 Q CA 0.596 56.172 55.803 -0.377 0.000 0.851 460 Q CB 0.089 28.535 28.738 -0.486 0.000 0.928 460 Q HN 0.641 nan 8.270 nan 0.000 0.459 461 Y N -0.365 119.885 120.300 -0.085 0.000 2.751 461 Y HA 0.226 4.777 4.550 0.001 0.000 0.289 461 Y C -0.131 175.674 175.900 -0.158 0.000 1.110 461 Y CA -0.483 57.543 58.100 -0.122 0.000 1.251 461 Y CB 1.026 39.398 38.460 -0.147 0.000 1.178 461 Y HN 0.009 nan 8.280 nan 0.000 0.540 462 S N -1.422 114.239 115.700 -0.066 0.000 2.327 462 S HA 0.236 4.707 4.470 0.001 0.000 0.203 462 S C -2.179 172.381 174.600 -0.067 0.000 1.326 462 S CA -1.068 57.074 58.200 -0.097 0.000 1.248 462 S CB 0.504 63.609 63.200 -0.158 0.000 1.199 462 S HN 0.073 nan 8.310 nan 0.000 0.422 463 P HA -0.003 nan 4.420 nan 0.000 0.223 463 P C 0.268 177.562 177.300 -0.010 0.000 1.151 463 P CA 0.895 63.971 63.100 -0.039 0.000 0.787 463 P CB 0.038 31.719 31.700 -0.032 0.000 0.788 464 N N -0.698 118.004 118.700 0.004 0.000 2.205 464 N HA 0.072 4.813 4.740 0.001 0.000 0.201 464 N C -0.025 175.523 175.510 0.064 0.000 1.128 464 N CA 0.007 53.077 53.050 0.034 0.000 0.867 464 N CB 0.715 39.224 38.487 0.037 0.000 0.996 464 N HN 0.015 nan 8.380 nan 0.000 0.503 465 V N 1.700 121.649 119.914 0.059 0.000 2.427 465 V HA 0.127 4.248 4.120 0.001 0.000 0.268 465 V C 1.327 177.504 176.094 0.139 0.000 1.046 465 V CA 0.061 62.429 62.300 0.112 0.000 0.970 465 V CB 1.376 33.255 31.823 0.092 0.000 1.001 465 V HN 0.005 nan 8.190 nan 0.000 0.476 466 R N 3.122 123.738 120.500 0.194 0.000 2.128 466 R HA 0.116 4.457 4.340 0.001 0.000 0.211 466 R C 0.087 176.572 176.300 0.309 0.000 1.067 466 R CA 0.405 56.634 56.100 0.215 0.000 1.010 466 R CB 0.313 30.731 30.300 0.197 0.000 0.922 466 R HN 0.734 nan 8.270 nan 0.000 0.457 467 W N 0.352 121.737 121.300 0.141 0.000 2.736 467 W HA 0.602 5.263 4.660 0.001 0.000 0.335 467 W C -1.505 175.139 176.519 0.209 0.000 1.059 467 W CA -0.870 56.565 57.345 0.150 0.000 1.226 467 W CB 1.108 30.629 29.460 0.102 0.000 1.416 467 W HN -0.238 nan 8.180 nan 0.000 0.505 468 M N 6.793 126.028 119.600 -0.607 0.000 2.324 468 M HA 0.314 4.794 4.480 0.001 0.000 0.288 468 M C -1.627 174.175 176.300 -0.829 0.000 1.097 468 M CA -1.117 53.784 55.300 -0.666 0.000 0.928 468 M CB 2.034 34.618 32.600 -0.028 0.000 1.648 468 M HN 0.415 nan 8.290 nan 0.000 0.460 469 L N 5.501 126.179 121.223 -0.908 0.000 2.280 469 L HA 0.648 4.989 4.340 0.001 0.000 0.287 469 L C -1.827 174.939 176.870 -0.174 0.000 1.023 469 L CA -0.122 54.511 54.840 -0.345 0.000 0.819 469 L CB 0.827 42.778 42.059 -0.180 0.000 1.212 469 L HN 0.645 nan 8.230 nan 0.000 0.420 470 L N 5.790 126.970 121.223 -0.072 0.000 2.296 470 L HA 0.591 4.932 4.340 0.001 0.000 0.286 470 L C 1.130 177.933 176.870 -0.112 0.000 1.023 470 L CA -0.391 54.421 54.840 -0.048 0.000 0.812 470 L CB 1.475 43.489 42.059 -0.075 0.000 1.223 470 L HN 0.796 nan 8.230 nan 0.000 0.421 471 G N 1.628 110.325 108.800 -0.172 0.000 2.586 471 G HA2 -0.100 3.861 3.960 0.001 0.000 0.199 471 G HA3 -0.100 3.861 3.960 0.001 0.000 0.199 471 G C -0.195 174.356 174.900 -0.582 0.000 1.614 471 G CA 0.370 45.089 45.100 -0.635 0.000 0.921 471 G HN 0.504 nan 8.290 nan 0.000 0.428 472 Y N 0.872 120.917 120.300 -0.425 0.000 2.602 472 Y HA 0.421 4.972 4.550 0.001 0.000 0.373 472 Y C 0.559 176.357 175.900 -0.171 0.000 0.960 472 Y CA -1.046 56.873 58.100 -0.303 0.000 1.281 472 Y CB 0.583 38.879 38.460 -0.273 0.000 1.308 472 Y HN 0.257 nan 8.280 nan 0.000 0.595 473 V N -1.470 118.413 119.914 -0.052 0.000 2.997 473 V HA 0.993 5.114 4.120 0.001 0.000 0.311 473 V C 0.725 176.845 176.094 0.044 0.000 1.066 473 V CA -0.277 62.052 62.300 0.048 0.000 1.039 473 V CB 0.963 32.847 31.823 0.102 0.000 1.081 473 V HN 0.659 nan 8.190 nan 0.000 0.467 474 G N 2.280 111.143 108.800 0.105 0.000 2.829 474 G HA2 -0.143 3.818 3.960 0.001 0.000 0.628 474 G HA3 -0.143 3.818 3.960 0.001 0.000 0.628 474 G C -0.165 174.783 174.900 0.079 0.000 1.412 474 G CA 0.430 45.619 45.100 0.148 0.000 0.864 474 G HN 1.068 nan 8.290 nan 0.000 0.544 475 E N -0.599 119.663 120.200 0.103 0.000 2.399 475 E HA 0.340 4.691 4.350 0.001 0.000 0.206 475 E C 1.192 177.842 176.600 0.083 0.000 0.812 475 E CA 0.560 56.995 56.400 0.059 0.000 1.138 475 E CB 0.856 30.582 29.700 0.043 0.000 1.140 475 E HN 1.081 nan 8.360 nan 0.000 0.536 476 S N -0.245 115.547 115.700 0.154 0.000 0.000 476 S HA 0.211 4.682 4.470 0.001 0.000 0.000 476 S C -0.257 174.496 174.600 0.255 0.000 0.000 476 S CA -0.668 57.636 58.200 0.174 0.000 0.000 476 S CB 1.308 64.562 63.200 0.090 0.000 0.000 476 S HN -0.195 nan 8.310 nan 0.000 0.000 477 D N 0.984 121.498 120.400 0.190 0.000 2.221 477 D HA -0.070 4.571 4.640 0.001 0.000 0.204 477 D C 1.632 177.915 176.300 -0.029 0.000 0.982 477 D CA 1.173 55.219 54.000 0.077 0.000 0.857 477 D CB -0.177 40.658 40.800 0.058 0.000 0.934 477 D HN 0.544 nan 8.370 nan 0.000 0.475 478 E N 0.157 120.362 120.200 0.009 0.000 2.130 478 E HA -0.155 4.195 4.350 0.001 0.000 0.196 478 E C 2.168 178.745 176.600 -0.039 0.000 0.998 478 E CA 1.269 57.660 56.400 -0.014 0.000 0.806 478 E CB -0.431 29.270 29.700 0.002 0.000 0.738 478 E HN 0.417 nan 8.360 nan 0.000 0.459 479 G N 0.924 109.707 108.800 -0.028 0.000 2.394 479 G HA2 -0.189 3.772 3.960 0.001 0.000 0.215 479 G HA3 -0.189 3.772 3.960 0.001 0.000 0.215 479 G C 1.615 176.426 174.900 -0.148 0.000 1.165 479 G CA 0.483 45.560 45.100 -0.039 0.000 0.784 479 G HN 0.210 nan 8.290 nan 0.000 0.535 480 L N 0.473 121.430 121.223 -0.442 0.000 2.017 480 L HA 0.101 4.442 4.340 0.001 0.000 0.208 480 L C 2.660 179.424 176.870 -0.177 0.000 1.073 480 L CA 1.892 56.367 54.840 -0.608 0.000 0.745 480 L CB -0.365 40.989 42.059 -1.175 0.000 0.894 480 L HN 0.248 nan 8.230 nan 0.000 0.432 481 M N -1.202 118.307 119.600 -0.152 0.000 2.117 481 M HA -0.188 4.293 4.480 0.001 0.000 0.262 481 M C 2.036 178.315 176.300 -0.035 0.000 1.065 481 M CA 1.713 56.970 55.300 -0.071 0.000 1.114 481 M CB -0.294 32.267 32.600 -0.065 0.000 1.361 481 M HN 0.301 nan 8.290 nan 0.000 0.408 482 E N 0.053 120.238 120.200 -0.026 0.000 2.077 482 E HA -0.213 4.138 4.350 0.001 0.000 0.193 482 E C 1.759 178.363 176.600 0.007 0.000 0.989 482 E CA 1.390 57.779 56.400 -0.019 0.000 0.800 482 E CB -0.790 28.895 29.700 -0.024 0.000 0.746 482 E HN 0.626 nan 8.360 nan 0.000 0.452 483 F N 2.356 122.239 119.950 -0.111 0.000 2.091 483 F HA -0.267 4.260 4.527 0.001 0.000 0.299 483 F C 2.502 178.250 175.800 -0.086 0.000 1.103 483 F CA 2.156 60.101 58.000 -0.093 0.000 1.228 483 F CB -0.452 38.486 39.000 -0.105 0.000 0.984 483 F HN 0.013 nan 8.300 nan 0.000 0.477 484 S N 1.088 116.758 115.700 -0.050 0.000 2.500 484 S HA -0.218 4.252 4.470 0.001 0.000 0.239 484 S C 1.784 176.270 174.600 -0.191 0.000 0.989 484 S CA 0.786 58.896 58.200 -0.150 0.000 0.951 484 S CB -0.955 62.234 63.200 -0.018 0.000 0.759 484 S HN 0.734 nan 8.310 nan 0.000 0.523 485 R N 0.411 120.809 120.500 -0.169 0.000 2.334 485 R HA 0.425 4.766 4.340 0.001 0.000 0.220 485 R C 1.024 177.217 176.300 -0.179 0.000 0.917 485 R CA 0.283 56.297 56.100 -0.143 0.000 1.073 485 R CB -0.242 29.997 30.300 -0.101 0.000 1.056 485 R HN 0.362 nan 8.270 nan 0.000 0.506 486 G N -0.035 108.604 108.800 -0.269 0.000 3.135 486 G HA2 0.296 4.257 3.960 0.001 0.000 0.159 486 G HA3 0.296 4.257 3.960 0.001 0.000 0.159 486 G C -0.584 174.138 174.900 -0.296 0.000 1.244 486 G CA -0.220 44.714 45.100 -0.276 0.000 0.965 486 G HN 0.280 nan 8.290 nan 0.000 0.599 487 C N 0.582 119.709 119.300 -0.288 0.000 3.896 487 C HA -0.089 4.372 4.460 0.001 0.000 0.300 487 C C -0.834 174.078 174.990 -0.130 0.000 1.322 487 C CA -0.259 58.622 59.018 -0.227 0.000 2.130 487 C CB -1.996 25.539 27.740 -0.343 0.000 1.363 487 C HN 0.575 nan 8.230 nan 0.000 0.642 488 P HA -0.115 nan 4.420 nan 0.000 0.218 488 P C 0.684 177.972 177.300 -0.020 0.000 1.148 488 P CA 1.722 64.786 63.100 -0.060 0.000 0.822 488 P CB 0.022 31.690 31.700 -0.053 0.000 0.784 489 N N -1.611 117.087 118.700 -0.004 0.000 2.235 489 N HA 0.154 4.895 4.740 0.001 0.000 0.231 489 N C -0.233 175.321 175.510 0.073 0.000 1.177 489 N CA -0.304 52.769 53.050 0.038 0.000 0.874 489 N CB 0.243 38.757 38.487 0.044 0.000 1.097 489 N HN 0.040 nan 8.380 nan 0.000 0.518 490 L N 1.728 122.988 121.223 0.062 0.000 2.433 490 L HA 0.063 4.404 4.340 0.001 0.000 0.275 490 L C 0.780 177.747 176.870 0.162 0.000 1.128 490 L CA 0.541 55.450 54.840 0.114 0.000 0.875 490 L CB 0.818 42.929 42.059 0.086 0.000 1.171 490 L HN 0.332 nan 8.230 nan 0.000 0.463 491 Q N 3.299 123.225 119.800 0.209 0.000 2.304 491 Q HA 0.077 4.418 4.340 0.001 0.000 0.204 491 Q C 0.097 176.290 176.000 0.322 0.000 0.936 491 Q CA 0.588 56.541 55.803 0.249 0.000 0.878 491 Q CB 0.749 29.622 28.738 0.225 0.000 0.983 491 Q HN 0.458 nan 8.270 nan 0.000 0.516 492 K N 0.997 121.600 120.400 0.337 0.000 2.463 492 K HA 0.386 4.707 4.320 0.001 0.000 0.255 492 K C -1.957 174.878 176.600 0.392 0.000 0.942 492 K CA -0.542 55.987 56.287 0.403 0.000 0.814 492 K CB 1.398 34.092 32.500 0.324 0.000 1.122 492 K HN -0.076 nan 8.250 nan 0.000 0.425 493 L N 3.707 125.173 121.223 0.406 0.000 2.343 493 L HA 0.436 4.776 4.340 0.001 0.000 0.278 493 L C -1.443 175.634 176.870 0.344 0.000 0.996 493 L CA 0.033 55.051 54.840 0.298 0.000 0.831 493 L CB 1.667 43.898 42.059 0.287 0.000 1.232 493 L HN 0.646 nan 8.230 nan 0.000 0.413 494 E N 6.453 126.815 120.200 0.270 0.000 2.155 494 E HA 0.568 4.919 4.350 0.001 0.000 0.264 494 E C -1.207 175.525 176.600 0.220 0.000 0.886 494 E CA -0.351 56.290 56.400 0.402 0.000 0.752 494 E CB 1.742 31.730 29.700 0.480 0.000 1.133 494 E HN 0.594 nan 8.360 nan 0.000 0.414 495 M N 3.485 123.176 119.600 0.152 0.000 2.326 495 M HA 0.475 4.956 4.480 0.001 0.000 0.306 495 M C -0.480 175.774 176.300 -0.076 0.000 1.054 495 M CA -0.755 54.550 55.300 0.008 0.000 0.922 495 M CB 2.311 34.902 32.600 -0.015 0.000 1.632 495 M HN 0.398 nan 8.290 nan 0.000 0.436 496 R N 0.840 121.264 120.500 -0.127 0.000 2.808 496 R HA 0.803 5.143 4.340 0.001 0.000 0.272 496 R C 0.213 176.182 176.300 -0.552 0.000 0.995 496 R CA 0.008 55.980 56.100 -0.212 0.000 0.917 496 R CB 1.818 32.122 30.300 0.007 0.000 1.217 496 R HN 0.861 nan 8.270 nan 0.000 0.471 497 G N 0.731 109.173 108.800 -0.598 0.000 2.176 497 G HA2 -0.257 3.704 3.960 0.001 0.000 0.252 497 G HA3 -0.257 3.704 3.960 0.001 0.000 0.252 497 G C -0.292 174.070 174.900 -0.896 0.000 1.024 497 G CA 0.315 44.758 45.100 -1.096 0.000 0.755 497 G HN 0.647 nan 8.290 nan 0.000 0.507 498 C N -0.732 118.217 119.300 -0.585 0.000 2.397 498 C HA 0.556 5.017 4.460 0.001 0.000 0.343 498 C C 2.323 176.963 174.990 -0.584 0.000 1.188 498 C CA -0.179 58.428 59.018 -0.684 0.000 1.992 498 C CB 0.963 28.171 27.740 -0.886 0.000 2.358 498 C HN 0.811 nan 8.230 nan 0.000 0.518 499 C N -0.818 118.069 119.300 -0.688 0.000 2.464 499 C HA 0.134 4.595 4.460 0.001 0.000 0.278 499 C C 1.076 175.943 174.990 -0.205 0.000 1.375 499 C CA -0.456 58.346 59.018 -0.360 0.000 1.761 499 C CB -1.946 25.652 27.740 -0.237 0.000 1.944 499 C HN 0.763 nan 8.230 nan 0.000 0.509 500 F N 3.707 123.651 119.950 -0.009 0.000 2.647 500 F HA 0.126 4.654 4.527 0.001 0.000 0.363 500 F C 1.346 177.177 175.800 0.053 0.000 1.130 500 F CA 0.373 58.377 58.000 0.007 0.000 1.351 500 F CB 0.116 39.106 39.000 -0.016 0.000 1.026 500 F HN 0.286 nan 8.300 nan 0.000 0.607 501 S N 1.081 116.929 115.700 0.247 0.000 2.652 501 S HA 0.202 4.673 4.470 0.001 0.000 0.270 501 S C 0.783 175.487 174.600 0.173 0.000 1.243 501 S CA -0.841 57.466 58.200 0.178 0.000 0.999 501 S CB 1.497 64.766 63.200 0.116 0.000 0.973 501 S HN 0.730 nan 8.310 nan 0.000 0.544 502 E N 1.145 121.454 120.200 0.182 0.000 2.065 502 E HA -0.246 4.105 4.350 0.001 0.000 0.201 502 E C 2.347 178.983 176.600 0.060 0.000 1.016 502 E CA 1.605 58.079 56.400 0.123 0.000 0.818 502 E CB -0.242 29.543 29.700 0.140 0.000 0.749 502 E HN 0.706 nan 8.360 nan 0.000 0.453 503 R N 1.174 121.708 120.500 0.056 0.000 2.152 503 R HA -0.042 4.299 4.340 0.001 0.000 0.232 503 R C 1.943 178.253 176.300 0.016 0.000 1.117 503 R CA 1.446 57.564 56.100 0.030 0.000 0.981 503 R CB -0.415 29.901 30.300 0.026 0.000 0.870 503 R HN 0.135 nan 8.270 nan 0.000 0.451 504 A N 2.220 125.056 122.820 0.027 0.000 1.897 504 A HA 0.027 4.347 4.320 0.001 0.000 0.215 504 A C 2.405 179.972 177.584 -0.028 0.000 1.181 504 A CA 1.028 53.062 52.037 -0.005 0.000 0.620 504 A CB -0.240 18.764 19.000 0.007 0.000 0.821 504 A HN 0.217 nan 8.150 nan 0.000 0.443 505 I N 0.256 120.828 120.570 0.003 0.000 2.099 505 I HA -0.306 3.865 4.170 0.001 0.000 0.239 505 I C 3.011 179.122 176.117 -0.010 0.000 1.066 505 I CA 1.685 62.979 61.300 -0.010 0.000 1.324 505 I CB -1.623 36.356 38.000 -0.036 0.000 1.037 505 I HN 0.368 nan 8.210 nan 0.000 0.401 506 A N 0.983 123.799 122.820 -0.007 0.000 1.917 506 A HA -0.205 4.116 4.320 0.001 0.000 0.219 506 A C 2.524 180.090 177.584 -0.031 0.000 1.182 506 A CA 2.558 54.590 52.037 -0.007 0.000 0.633 506 A CB -0.822 18.179 19.000 0.001 0.000 0.819 506 A HN 0.501 nan 8.150 nan 0.000 0.448 507 A N -0.791 122.011 122.820 -0.029 0.000 1.970 507 A HA 0.346 4.667 4.320 0.001 0.000 0.216 507 A C 2.420 179.975 177.584 -0.048 0.000 1.170 507 A CA 1.581 53.594 52.037 -0.040 0.000 0.645 507 A CB -0.771 18.210 19.000 -0.033 0.000 0.816 507 A HN 1.030 nan 8.150 nan 0.000 0.447 508 A N -0.492 122.304 122.820 -0.040 0.000 1.969 508 A HA 0.075 4.395 4.320 0.001 0.000 0.218 508 A C 2.138 179.707 177.584 -0.026 0.000 1.169 508 A CA 1.519 53.541 52.037 -0.026 0.000 0.635 508 A CB -0.704 18.294 19.000 -0.004 0.000 0.810 508 A HN 0.313 nan 8.150 nan 0.000 0.445 509 V N -0.199 119.692 119.914 -0.038 0.000 2.343 509 V HA -0.222 3.898 4.120 0.001 0.000 0.247 509 V C 2.740 178.732 176.094 -0.169 0.000 1.051 509 V CA 2.466 64.712 62.300 -0.090 0.000 1.036 509 V CB -1.142 30.617 31.823 -0.108 0.000 0.654 509 V HN 0.603 nan 8.190 nan 0.000 0.451 510 T N -0.541 113.924 114.554 -0.148 0.000 2.720 510 T HA -0.238 4.113 4.350 0.001 0.000 0.268 510 T C 1.951 176.591 174.700 -0.099 0.000 1.037 510 T CA 1.635 63.652 62.100 -0.138 0.000 1.144 510 T CB -0.200 68.608 68.868 -0.100 0.000 0.864 510 T HN 0.419 nan 8.240 nan 0.000 0.444 511 K N 0.213 120.566 120.400 -0.079 0.000 2.217 511 K HA 0.141 4.462 4.320 0.001 0.000 0.202 511 K C 0.317 176.873 176.600 -0.073 0.000 1.051 511 K CA 0.339 56.584 56.287 -0.071 0.000 0.952 511 K CB -0.125 32.333 32.500 -0.069 0.000 0.736 511 K HN 0.289 nan 8.250 nan 0.000 0.453 512 L N 2.965 124.146 121.223 -0.070 0.000 2.385 512 L HA 0.061 4.402 4.340 0.001 0.000 0.281 512 L C -1.386 175.464 176.870 -0.033 0.000 1.106 512 L CA -1.298 53.507 54.840 -0.058 0.000 0.856 512 L CB 0.615 42.658 42.059 -0.028 0.000 1.186 512 L HN 0.052 nan 8.230 nan 0.000 0.453 513 P HA -0.112 nan 4.420 nan 0.000 0.217 513 P C 1.004 178.324 177.300 0.034 0.000 1.150 513 P CA 1.046 64.142 63.100 -0.007 0.000 0.832 513 P CB 0.448 32.138 31.700 -0.018 0.000 0.787 514 S N -1.138 114.593 115.700 0.052 0.000 2.523 514 S HA 0.133 4.604 4.470 0.001 0.000 0.217 514 S C 0.716 175.420 174.600 0.172 0.000 0.996 514 S CA -0.498 57.763 58.200 0.102 0.000 0.921 514 S CB -0.450 62.803 63.200 0.089 0.000 0.829 514 S HN 0.002 nan 8.310 nan 0.000 0.495 515 L N 3.755 125.075 121.223 0.161 0.000 2.584 515 L HA 0.060 4.400 4.340 0.001 0.000 0.272 515 L C 0.977 178.065 176.870 0.364 0.000 1.195 515 L CA 0.664 55.645 54.840 0.235 0.000 0.920 515 L CB 0.420 42.576 42.059 0.162 0.000 1.173 515 L HN 0.205 nan 8.230 nan 0.000 0.489 516 R N 3.145 123.933 120.500 0.481 0.000 2.531 516 R HA 0.246 4.586 4.340 0.001 0.000 0.316 516 R C -0.773 175.928 176.300 0.667 0.000 0.955 516 R CA -0.437 56.060 56.100 0.662 0.000 1.120 516 R CB 0.081 30.739 30.300 0.597 0.000 1.361 516 R HN 0.495 nan 8.270 nan 0.000 0.534 517 Y N 0.596 121.162 120.300 0.442 0.000 2.399 517 Y HA 0.517 5.068 4.550 0.001 0.000 0.327 517 Y C -2.137 173.973 175.900 0.349 0.000 1.111 517 Y CA -1.498 56.814 58.100 0.354 0.000 1.047 517 Y CB 2.105 40.741 38.460 0.294 0.000 1.259 517 Y HN 0.044 nan 8.280 nan 0.000 0.434 518 L N 7.400 128.782 121.223 0.265 0.000 2.438 518 L HA 0.562 4.903 4.340 0.001 0.000 0.270 518 L C -2.140 174.873 176.870 0.239 0.000 0.972 518 L CA -0.520 54.513 54.840 0.322 0.000 0.831 518 L CB 1.469 43.694 42.059 0.276 0.000 1.273 518 L HN 0.713 nan 8.230 nan 0.000 0.405 519 W N 7.655 129.062 121.300 0.178 0.000 2.683 519 W HA 0.764 5.425 4.660 0.001 0.000 0.329 519 W C -2.321 174.238 176.519 0.066 0.000 1.037 519 W CA -0.794 56.610 57.345 0.099 0.000 1.232 519 W CB 1.782 31.349 29.460 0.179 0.000 1.390 519 W HN 0.352 nan 8.180 nan 0.000 0.465 520 V N 5.763 125.210 119.914 -0.779 0.000 2.623 520 V HA 0.320 4.441 4.120 0.001 0.000 0.304 520 V C -0.601 175.008 176.094 -0.809 0.000 1.054 520 V CA -0.653 61.250 62.300 -0.661 0.000 0.882 520 V CB 1.754 33.366 31.823 -0.352 0.000 1.002 520 V HN 0.615 nan 8.190 nan 0.000 0.424 521 Q N 2.342 121.785 119.800 -0.595 0.000 2.340 521 Q HA 0.642 4.983 4.340 0.001 0.000 0.268 521 Q C 0.014 175.986 176.000 -0.047 0.000 1.031 521 Q CA 0.069 55.724 55.803 -0.247 0.000 0.804 521 Q CB 2.086 30.681 28.738 -0.238 0.000 1.286 521 Q HN 1.366 nan 8.270 nan 0.000 0.448 522 G N 3.142 111.985 108.800 0.072 0.000 3.450 522 G HA2 -0.189 3.772 3.960 0.001 0.000 0.668 522 G HA3 -0.189 3.772 3.960 0.001 0.000 0.668 522 G C -1.369 173.567 174.900 0.060 0.000 0.941 522 G CA 0.098 45.181 45.100 -0.028 0.000 0.766 522 G HN 0.892 nan 8.290 nan 0.000 0.451 523 Y N -1.362 118.876 120.300 -0.104 0.000 2.583 523 Y HA 0.688 5.239 4.550 0.001 0.000 0.330 523 Y C -0.172 175.699 175.900 -0.047 0.000 1.185 523 Y CA -1.880 56.172 58.100 -0.081 0.000 1.107 523 Y CB 0.745 39.174 38.460 -0.051 0.000 1.344 523 Y HN 0.559 nan 8.280 nan 0.000 0.463 524 R N 2.451 122.969 120.500 0.029 0.000 2.498 524 R HA 0.487 4.827 4.340 0.001 0.000 0.334 524 R C 0.461 176.766 176.300 0.007 0.000 1.106 524 R CA 0.549 56.635 56.100 -0.022 0.000 0.995 524 R CB 0.040 30.358 30.300 0.030 0.000 0.989 524 R HN 0.800 nan 8.270 nan 0.000 0.455 525 A N 2.471 125.187 122.820 -0.174 0.000 2.372 525 A HA 0.515 4.835 4.320 0.001 0.000 0.271 525 A C -0.041 177.543 177.584 0.001 0.000 1.470 525 A CA -0.077 51.904 52.037 -0.094 0.000 0.827 525 A CB 0.516 19.354 19.000 -0.270 0.000 1.405 525 A HN 0.685 nan 8.150 nan 0.000 0.536 526 S N -3.435 112.274 115.700 0.016 0.000 2.605 526 S HA 0.239 4.710 4.470 0.001 0.000 0.324 526 S C -0.020 174.591 174.600 0.019 0.000 0.978 526 S CA 0.187 58.395 58.200 0.014 0.000 0.864 526 S CB 0.100 63.318 63.200 0.029 0.000 1.095 526 S HN 1.008 nan 8.310 nan 0.000 0.460 527 M N 3.126 122.729 119.600 0.005 0.000 2.192 527 M HA -0.091 4.390 4.480 0.001 0.000 0.259 527 M C 1.910 178.220 176.300 0.016 0.000 1.071 527 M CA 2.743 58.047 55.300 0.007 0.000 1.082 527 M CB -1.411 31.189 32.600 0.000 0.000 1.373 527 M HN 0.930 nan 8.290 nan 0.000 0.408 528 T N -0.274 114.291 114.554 0.017 0.000 2.624 528 T HA -0.201 4.150 4.350 0.001 0.000 0.266 528 T C 1.776 176.492 174.700 0.026 0.000 1.050 528 T CA 2.274 64.386 62.100 0.020 0.000 1.163 528 T CB -1.390 67.491 68.868 0.022 0.000 0.861 528 T HN 0.775 nan 8.240 nan 0.000 0.443 529 G N 0.278 109.102 108.800 0.039 0.000 2.396 529 G HA2 -0.324 3.637 3.960 0.001 0.000 0.242 529 G HA3 -0.324 3.637 3.960 0.001 0.000 0.242 529 G C 0.833 175.759 174.900 0.044 0.000 1.069 529 G CA 0.508 45.637 45.100 0.047 0.000 0.633 529 G HN 0.496 nan 8.290 nan 0.000 0.517 530 Q N 0.828 120.648 119.800 0.034 0.000 2.491 530 Q HA 0.103 4.444 4.340 0.001 0.000 0.214 530 Q C 1.363 177.381 176.000 0.029 0.000 0.970 530 Q CA 1.474 57.294 55.803 0.027 0.000 0.960 530 Q CB -0.017 28.734 28.738 0.020 0.000 0.996 530 Q HN 0.763 nan 8.270 nan 0.000 0.524 531 D N -0.703 119.720 120.400 0.038 0.000 2.324 531 D HA 0.018 4.659 4.640 0.001 0.000 0.212 531 D C 1.688 178.008 176.300 0.034 0.000 0.984 531 D CA 0.081 54.103 54.000 0.036 0.000 0.885 531 D CB 0.186 41.014 40.800 0.046 0.000 0.996 531 D HN 0.103 nan 8.370 nan 0.000 0.505 532 L N 0.423 121.668 121.223 0.037 0.000 2.127 532 L HA -0.150 4.191 4.340 0.001 0.000 0.211 532 L C 1.912 178.805 176.870 0.039 0.000 1.089 532 L CA 0.667 55.525 54.840 0.029 0.000 0.757 532 L CB -0.285 41.785 42.059 0.018 0.000 0.899 532 L HN 0.169 nan 8.230 nan 0.000 0.434 533 M N -0.209 119.412 119.600 0.035 0.000 2.426 533 M HA -0.228 4.253 4.480 0.001 0.000 0.261 533 M C 2.017 178.335 176.300 0.030 0.000 1.068 533 M CA 1.397 56.718 55.300 0.035 0.000 1.066 533 M CB -0.930 31.686 32.600 0.026 0.000 1.399 533 M HN 0.480 nan 8.290 nan 0.000 0.449 534 Q N 0.215 120.028 119.800 0.021 0.000 2.373 534 Q HA -0.023 4.318 4.340 0.001 0.000 0.206 534 Q C 1.142 177.138 176.000 -0.006 0.000 0.942 534 Q CA 0.367 56.174 55.803 0.007 0.000 0.953 534 Q CB -0.352 28.388 28.738 0.003 0.000 1.022 534 Q HN 0.713 nan 8.270 nan 0.000 0.502 535 M N -2.553 117.051 119.600 0.008 0.000 2.416 535 M HA 0.539 5.019 4.480 0.001 0.000 0.337 535 M C 0.015 176.316 176.300 0.002 0.000 1.074 535 M CA -0.493 54.787 55.300 -0.033 0.000 0.968 535 M CB 0.911 33.494 32.600 -0.029 0.000 1.472 535 M HN 0.035 nan 8.290 nan 0.000 0.539 536 A N 2.422 125.277 122.820 0.060 0.000 2.505 536 A HA 0.445 4.766 4.320 0.001 0.000 0.271 536 A C -0.192 177.428 177.584 0.060 0.000 1.112 536 A CA -0.018 52.079 52.037 0.101 0.000 0.781 536 A CB -0.153 18.886 19.000 0.066 0.000 1.059 536 A HN 0.727 nan 8.150 nan 0.000 0.508 537 R N 2.600 123.159 120.500 0.098 0.000 2.873 537 R HA 0.618 4.959 4.340 0.001 0.000 0.264 537 R C -2.848 173.555 176.300 0.172 0.000 1.026 537 R CA -1.972 54.187 56.100 0.098 0.000 1.002 537 R CB 0.277 30.619 30.300 0.070 0.000 1.174 537 R HN 0.381 nan 8.270 nan 0.000 0.488 538 P HA 0.075 nan 4.420 nan 0.000 0.271 538 P C -0.921 176.553 177.300 0.289 0.000 1.218 538 P CA 0.018 63.151 63.100 0.055 0.000 0.780 538 P CB 0.151 31.838 31.700 -0.022 0.000 0.901 539 Y N -2.737 117.713 120.300 0.249 0.000 4.929 539 Y HA -0.200 4.351 4.550 0.001 0.000 0.253 539 Y C 0.062 176.222 175.900 0.434 0.000 0.946 539 Y CA 0.441 58.734 58.100 0.323 0.000 1.905 539 Y CB -1.695 36.971 38.460 0.343 0.000 1.400 539 Y HN 0.507 nan 8.280 nan 0.000 0.531 540 W N 3.240 124.641 121.300 0.168 0.000 2.294 540 W HA 0.460 5.121 4.660 0.001 0.000 0.314 540 W C -0.729 175.681 176.519 -0.182 0.000 1.044 540 W CA -0.746 56.538 57.345 -0.101 0.000 1.284 540 W CB 0.775 30.124 29.460 -0.186 0.000 1.231 540 W HN -0.123 nan 8.180 nan 0.000 0.419 541 N N 5.778 124.046 118.700 -0.720 0.000 2.422 541 N HA 0.241 4.982 4.740 0.001 0.000 0.266 541 N C -0.576 174.392 175.510 -0.903 0.000 1.007 541 N CA -0.272 52.333 53.050 -0.742 0.000 0.941 541 N CB 1.488 39.396 38.487 -0.964 0.000 1.115 541 N HN 0.449 nan 8.380 nan 0.000 0.492 542 I N -0.950 119.315 120.570 -0.507 0.000 2.378 542 I HA 0.510 4.681 4.170 0.001 0.000 0.291 542 I C -0.525 175.478 176.117 -0.191 0.000 0.992 542 I CA -0.299 60.773 61.300 -0.380 0.000 1.154 542 I CB 1.375 39.248 38.000 -0.211 0.000 1.315 542 I HN 0.306 nan 8.210 nan 0.000 0.448 543 E N 6.761 126.900 120.200 -0.100 0.000 2.210 543 E HA 0.573 4.924 4.350 0.001 0.000 0.266 543 E C -1.421 175.225 176.600 0.077 0.000 0.883 543 E CA -0.787 55.632 56.400 0.031 0.000 0.761 543 E CB 2.366 32.162 29.700 0.161 0.000 1.156 543 E HN 0.617 nan 8.360 nan 0.000 0.412 544 L N 4.030 125.303 121.223 0.083 0.000 2.296 544 L HA 0.501 4.841 4.340 0.001 0.000 0.286 544 L C -0.351 176.600 176.870 0.136 0.000 1.023 544 L CA -0.701 54.200 54.840 0.102 0.000 0.812 544 L CB 1.068 43.173 42.059 0.076 0.000 1.223 544 L HN 0.443 nan 8.230 nan 0.000 0.421 545 I N 5.600 126.265 120.570 0.157 0.000 2.310 545 I HA 0.241 4.412 4.170 0.001 0.000 0.287 545 I C -1.819 174.286 176.117 -0.019 0.000 1.073 545 I CA -1.790 59.579 61.300 0.115 0.000 1.216 545 I CB 0.826 38.941 38.000 0.192 0.000 1.415 545 I HN 0.355 nan 8.210 nan 0.000 0.480 546 P HA -0.026 nan 4.420 nan 0.000 0.271 546 P C 0.371 177.640 177.300 -0.053 0.000 1.238 546 P CA -0.198 62.896 63.100 -0.010 0.000 0.794 546 P CB 0.470 32.177 31.700 0.011 0.000 0.959 547 S N -0.337 115.334 115.700 -0.048 0.000 3.048 547 S HA 0.056 4.526 4.470 0.001 0.000 0.254 547 S C 0.750 175.328 174.600 -0.036 0.000 1.084 547 S CA -0.277 57.889 58.200 -0.057 0.000 1.195 547 S CB -0.849 62.313 63.200 -0.063 0.000 0.870 547 S HN 0.284 nan 8.310 nan 0.000 0.483 565 P HA 0.150 nan 4.420 nan 0.000 0.269 565 P C -0.183 177.103 177.300 -0.024 0.000 1.215 565 P CA -0.225 62.885 63.100 0.018 0.000 0.780 565 P CB 0.315 32.026 31.700 0.019 0.000 0.898 566 A N 2.597 125.371 122.820 -0.077 0.000 2.587 566 A HA -0.009 4.312 4.320 0.001 0.000 0.235 566 A C -0.071 177.609 177.584 0.161 0.000 1.044 566 A CA 0.563 52.588 52.037 -0.020 0.000 0.754 566 A CB -0.858 18.160 19.000 0.031 0.000 0.968 566 A HN 0.636 nan 8.150 nan 0.000 0.509 567 H N 0.299 119.406 119.070 0.062 0.000 2.499 567 H HA 0.603 5.159 4.556 0.001 0.000 0.340 567 H C -0.669 174.598 175.328 -0.102 0.000 1.148 567 H CA -0.821 55.135 56.048 -0.154 0.000 1.215 567 H CB 1.589 31.240 29.762 -0.185 0.000 1.529 567 H HN 0.563 nan 8.280 nan 0.000 0.510 568 I N 3.116 123.600 120.570 -0.143 0.000 2.406 568 I HA 0.145 4.315 4.170 0.001 0.000 0.290 568 I C -1.170 174.913 176.117 -0.056 0.000 0.999 568 I CA -0.685 60.540 61.300 -0.126 0.000 1.124 568 I CB 1.701 39.524 38.000 -0.294 0.000 1.289 568 I HN 0.201 nan 8.210 nan 0.000 0.441 569 L N 7.111 128.363 121.223 0.048 0.000 2.356 569 L HA 0.886 5.227 4.340 0.001 0.000 0.277 569 L C -0.717 176.098 176.870 -0.091 0.000 0.996 569 L CA -0.115 54.770 54.840 0.076 0.000 0.822 569 L CB 1.480 43.685 42.059 0.242 0.000 1.256 569 L HN 0.690 nan 8.230 nan 0.000 0.413 570 A N 4.556 127.220 122.820 -0.259 0.000 2.455 570 A HA 0.837 5.158 4.320 0.001 0.000 0.300 570 A C -1.886 175.169 177.584 -0.881 0.000 1.040 570 A CA -0.392 51.217 52.037 -0.714 0.000 0.697 570 A CB 1.155 19.694 19.000 -0.769 0.000 1.265 570 A HN 0.843 nan 8.150 nan 0.000 0.407 571 Y N -1.317 118.294 120.300 -1.150 0.000 2.624 571 Y HA 0.678 5.229 4.550 0.001 0.000 0.334 571 Y C -1.214 174.446 175.900 -0.401 0.000 1.155 571 Y CA -1.550 56.170 58.100 -0.634 0.000 1.046 571 Y CB 0.658 38.989 38.460 -0.216 0.000 1.316 571 Y HN 0.580 nan 8.280 nan 0.000 0.457 572 Y N 1.616 122.113 120.300 0.328 0.000 2.346 572 Y HA 0.451 5.002 4.550 0.001 0.000 0.330 572 Y C 0.643 176.776 175.900 0.389 0.000 1.178 572 Y CA 0.590 58.937 58.100 0.411 0.000 1.331 572 Y CB 1.419 40.146 38.460 0.445 0.000 1.253 572 Y HN 0.724 nan 8.280 nan 0.000 0.529 573 S N 3.689 119.714 115.700 0.540 0.000 2.572 573 S HA 0.320 4.791 4.470 0.001 0.000 0.274 573 S C -0.177 174.671 174.600 0.413 0.000 1.150 573 S CA -0.784 57.689 58.200 0.455 0.000 0.944 573 S CB 0.735 64.219 63.200 0.473 0.000 1.071 573 S HN 0.768 nan 8.310 nan 0.000 0.479 574 L N 3.344 124.746 121.223 0.299 0.000 2.610 574 L HA 0.217 4.558 4.340 0.001 0.000 0.232 574 L C 2.144 179.182 176.870 0.280 0.000 1.149 574 L CA 0.933 55.920 54.840 0.247 0.000 0.872 574 L CB -0.314 41.817 42.059 0.120 0.000 0.992 574 L HN 0.812 nan 8.230 nan 0.000 0.447 575 A N -0.655 122.329 122.820 0.273 0.000 2.197 575 A HA 0.520 4.841 4.320 0.001 0.000 0.210 575 A C 1.218 178.904 177.584 0.171 0.000 1.180 575 A CA 0.554 52.717 52.037 0.210 0.000 0.846 575 A CB 0.120 19.250 19.000 0.217 0.000 0.884 575 A HN 0.389 nan 8.150 nan 0.000 0.487 576 G N -0.714 108.195 108.800 0.181 0.000 2.660 576 G HA2 -0.138 3.823 3.960 0.001 0.000 0.247 576 G HA3 -0.138 3.823 3.960 0.001 0.000 0.247 576 G C -0.558 174.390 174.900 0.079 0.000 1.328 576 G CA -0.380 44.781 45.100 0.101 0.000 0.884 576 G HN 0.526 nan 8.290 nan 0.000 0.531 577 Q N 0.539 120.351 119.800 0.019 0.000 2.311 577 Q HA 0.377 4.718 4.340 0.001 0.000 0.272 577 Q C 0.940 176.929 176.000 -0.019 0.000 1.012 577 Q CA 0.009 55.802 55.803 -0.018 0.000 0.891 577 Q CB 0.396 29.106 28.738 -0.047 0.000 1.201 577 Q HN 0.535 nan 8.270 nan 0.000 0.391 578 R N 1.534 121.993 120.500 -0.068 0.000 2.566 578 R HA -0.085 4.256 4.340 0.001 0.000 0.273 578 R C 0.972 177.206 176.300 -0.109 0.000 0.981 578 R CA 0.289 56.301 56.100 -0.147 0.000 1.091 578 R CB -0.066 29.923 30.300 -0.518 0.000 0.924 578 R HN 0.578 nan 8.270 nan 0.000 0.411 579 T N 1.074 115.594 114.554 -0.057 0.000 2.995 579 T HA -0.090 4.260 4.350 0.001 0.000 0.269 579 T C 0.554 175.213 174.700 -0.068 0.000 1.091 579 T CA 1.522 63.593 62.100 -0.049 0.000 1.128 579 T CB -0.157 68.698 68.868 -0.022 0.000 0.891 579 T HN 0.740 nan 8.240 nan 0.000 0.492 580 D N -0.261 120.086 120.400 -0.088 0.000 2.643 580 D HA 0.139 4.780 4.640 0.001 0.000 0.244 580 D C -0.231 176.019 176.300 -0.083 0.000 1.257 580 D CA -0.505 53.461 54.000 -0.057 0.000 0.831 580 D CB -1.359 39.464 40.800 0.037 0.000 1.043 580 D HN 0.152 nan 8.370 nan 0.000 0.488 581 C N 1.990 121.206 119.300 -0.140 0.000 2.653 581 C HA 0.285 4.746 4.460 0.001 0.000 0.421 581 C C -1.439 173.520 174.990 -0.052 0.000 1.334 581 C CA -0.765 58.166 59.018 -0.145 0.000 1.885 581 C CB -0.151 27.514 27.740 -0.125 0.000 2.645 581 C HN 0.381 nan 8.230 nan 0.000 0.601 582 P HA 0.149 nan 4.420 nan 0.000 0.274 582 P C 0.871 178.189 177.300 0.028 0.000 1.264 582 P CA -0.010 63.110 63.100 0.035 0.000 0.795 582 P CB 0.293 32.039 31.700 0.078 0.000 1.064 583 T N -0.917 113.660 114.554 0.039 0.000 2.904 583 T HA -0.082 4.269 4.350 0.001 0.000 0.267 583 T C 1.389 176.117 174.700 0.048 0.000 1.059 583 T CA 1.847 63.968 62.100 0.035 0.000 1.137 583 T CB -1.014 67.873 68.868 0.032 0.000 0.879 583 T HN 0.632 nan 8.240 nan 0.000 0.467 584 T N 0.158 114.753 114.554 0.069 0.000 3.139 584 T HA 0.078 4.429 4.350 0.001 0.000 0.267 584 T C 0.472 175.236 174.700 0.106 0.000 1.164 584 T CA 0.138 62.291 62.100 0.087 0.000 1.075 584 T CB -0.361 68.576 68.868 0.115 0.000 0.904 584 T HN 0.097 nan 8.240 nan 0.000 0.540 585 V N 1.083 121.054 119.914 0.095 0.000 2.483 585 V HA 0.487 4.608 4.120 0.001 0.000 0.297 585 V C -0.216 175.914 176.094 0.060 0.000 1.027 585 V CA -1.183 61.184 62.300 0.112 0.000 0.855 585 V CB 2.011 33.918 31.823 0.140 0.000 0.995 585 V HN 0.232 nan 8.190 nan 0.000 0.424 586 R N 3.165 123.701 120.500 0.060 0.000 2.387 586 R HA 0.701 5.042 4.340 0.001 0.000 0.314 586 R C -1.201 175.111 176.300 0.021 0.000 0.958 586 R CA -0.476 55.643 56.100 0.031 0.000 0.846 586 R CB 1.888 32.207 30.300 0.031 0.000 1.147 586 R HN 0.567 nan 8.270 nan 0.000 0.447 587 V N 6.030 125.942 119.914 -0.003 0.000 2.461 587 V HA 0.206 4.326 4.120 0.001 0.000 0.275 587 V C 0.493 176.574 176.094 -0.021 0.000 1.047 587 V CA -0.545 61.741 62.300 -0.024 0.000 0.955 587 V CB 1.322 33.119 31.823 -0.043 0.000 0.988 587 V HN 0.665 nan 8.190 nan 0.000 0.471 588 L N 6.391 127.597 121.223 -0.029 0.000 2.278 588 L HA 0.423 4.764 4.340 0.001 0.000 0.287 588 L C 0.211 177.067 176.870 -0.023 0.000 1.072 588 L CA 0.070 54.900 54.840 -0.018 0.000 0.819 588 L CB 0.520 42.571 42.059 -0.014 0.000 1.176 588 L HN 0.704 nan 8.230 nan 0.000 0.435 589 K N 3.011 123.403 120.400 -0.013 0.000 2.395 589 K HA 0.398 4.718 4.320 0.001 0.000 0.245 589 K C -0.621 175.978 176.600 -0.002 0.000 1.017 589 K CA -1.088 55.192 56.287 -0.011 0.000 0.852 589 K CB 1.709 34.200 32.500 -0.016 0.000 1.311 589 K HN 0.408 nan 8.250 nan 0.000 0.452 590 E N 1.686 121.886 120.200 -0.001 0.000 2.461 590 E HA 0.012 4.363 4.350 0.001 0.000 0.263 590 E C -2.231 174.370 176.600 0.002 0.000 1.143 590 E CA -1.012 55.390 56.400 0.003 0.000 0.994 590 E CB -0.303 29.398 29.700 0.001 0.000 0.973 590 E HN 0.303 nan 8.360 nan 0.000 0.457 591 P HA -0.192 nan 4.420 nan 0.000 0.259 591 P C -0.301 177.000 177.300 0.002 0.000 1.111 591 P CA 0.649 63.751 63.100 0.004 0.000 0.758 591 P CB -0.052 31.650 31.700 0.003 0.000 0.693 592 I N 0.000 120.572 120.570 0.003 0.000 2.984 592 I HA 0.000 4.171 4.170 0.001 0.000 0.288 592 I CA 0.000 61.301 61.300 0.002 0.000 1.566 592 I CB 0.000 38.002 38.000 0.004 0.000 1.214 592 I HN 0.000 nan 8.210 nan 0.000 0.494