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 3ogl_1_P DATA FIRST_RESID 12 DATA SEQUENCE SCVATVDDVI EQVMTYITDP KDRDSASLVC RRWFKIDSET REHVTMALCY DATA SEQUENCE TATPDRLSRR FPNLRSLKLK GKPRAAMFNL IPENWGGYVT PWVTEISNNL DATA SEQUENCE RQLKSVHFRR MIVSDLDLDR LAKARADDLE TLKLDKCSGF TTDGLLSIVT DATA SEQUENCE HCRKIKTLLM EESSFSEKDG KWLHELAQHN TSLEVLNFYM TEFAKISPKD DATA SEQUENCE LETIARNCRS LVSVKVGDFE ILELVGFFKA AANLEEFCGG SLNEDIGMPE DATA SEQUENCE KYMNLVFPRK LCRLGLSYMG PNEMPILFPF AAQIRKLDLL YALLETEDHC DATA SEQUENCE TLIQKCPNLE VLETRNVIGD RGLEVLAQYC KQLKRLRIER GADEQGMEDE DATA SEQUENCE EGLVSQRGLI ALAQGCQELE YMAVYVSDIT NESLESIGTY LKNLCDFRLV DATA SEQUENCE LLDREERITD LPLDNGVRSL LIGCKKLRRF AFYLRQGGLT DLGLSYIGQY DATA SEQUENCE SPNVRWMLLG YVGESDEGLM EFSRGCPNLQ KLEMRGCCFS ERAIAAAVTK DATA SEQUENCE LPSLRYLWVQ GYRASMTGQD LMQMARPYWN IELIPSRRXX XXXXXXXXXX DATA SEQUENCE XEHPAHILAY YSLAGQRTDC PTTVRVLKEP I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 S HA 0.000 nan 4.470 nan 0.000 0.327 12 S C 0.000 174.604 174.600 0.007 0.000 1.055 12 S CA 0.000 58.204 58.200 0.006 0.000 1.107 12 S CB 0.000 63.203 63.200 0.005 0.000 0.593 13 C N 3.446 122.751 119.300 0.008 0.000 2.401 13 C HA 0.818 5.278 4.460 0.000 0.000 0.356 13 C C 0.753 175.749 174.990 0.010 0.000 1.192 13 C CA -0.235 58.789 59.018 0.009 0.000 2.028 13 C CB 0.969 28.715 27.740 0.011 0.000 2.344 13 C HN 0.965 nan 8.230 nan 0.000 0.525 14 V N 3.497 123.417 119.914 0.011 0.000 2.752 14 V HA 0.232 4.352 4.120 0.000 0.000 0.306 14 V C 0.900 177.003 176.094 0.015 0.000 1.099 14 V CA 0.427 62.734 62.300 0.012 0.000 1.240 14 V CB -0.520 31.311 31.823 0.012 0.000 0.887 14 V HN 1.051 nan 8.190 nan 0.000 0.499 15 A N 4.574 127.402 122.820 0.014 0.000 2.320 15 A HA 0.599 4.919 4.320 0.000 0.000 0.287 15 A C 0.592 178.190 177.584 0.024 0.000 1.181 15 A CA -0.371 51.676 52.037 0.017 0.000 0.831 15 A CB 0.004 19.011 19.000 0.011 0.000 1.102 15 A HN 0.934 nan 8.150 nan 0.000 0.513 16 T N 1.408 115.981 114.554 0.033 0.000 2.862 16 T HA 0.343 4.693 4.350 0.000 0.000 0.276 16 T C 1.705 176.442 174.700 0.061 0.000 0.974 16 T CA -0.254 61.875 62.100 0.049 0.000 0.966 16 T CB 1.000 69.903 68.868 0.059 0.000 1.072 16 T HN 0.391 nan 8.240 nan 0.000 0.538 17 V N 0.153 120.124 119.914 0.096 0.000 2.343 17 V HA -0.137 3.983 4.120 0.000 0.000 0.247 17 V C 2.209 178.373 176.094 0.117 0.000 1.051 17 V CA 1.947 64.323 62.300 0.127 0.000 1.036 17 V CB -0.955 31.016 31.823 0.248 0.000 0.654 17 V HN 0.933 nan 8.190 nan 0.000 0.451 18 D N 0.230 120.719 120.400 0.147 0.000 2.354 18 D HA -0.177 4.463 4.640 0.000 0.000 0.216 18 D C 1.340 177.674 176.300 0.057 0.000 0.970 18 D CA 0.919 54.997 54.000 0.130 0.000 0.905 18 D CB -0.124 40.756 40.800 0.133 0.000 0.903 18 D HN 0.433 nan 8.370 nan 0.000 0.508 19 D N -0.654 119.770 120.400 0.039 0.000 2.325 19 D HA 0.043 4.683 4.640 0.000 0.000 0.225 19 D C 0.773 177.070 176.300 -0.005 0.000 1.096 19 D CA 0.098 54.108 54.000 0.017 0.000 0.844 19 D CB 1.448 42.259 40.800 0.018 0.000 0.925 19 D HN 0.122 nan 8.370 nan 0.000 0.513 20 V N 0.107 120.008 119.914 -0.023 0.000 3.799 20 V HA 0.007 4.127 4.120 0.000 0.000 0.274 20 V C 1.128 177.164 176.094 -0.096 0.000 1.719 20 V CA -0.083 62.188 62.300 -0.048 0.000 1.171 20 V CB 0.558 32.359 31.823 -0.037 0.000 0.963 20 V HN -0.048 nan 8.190 nan 0.000 0.383 21 I N 1.038 121.528 120.570 -0.133 0.000 2.406 21 I HA -0.035 4.135 4.170 0.000 0.000 0.249 21 I C 2.075 178.037 176.117 -0.259 0.000 1.122 21 I CA 2.041 63.168 61.300 -0.288 0.000 1.431 21 I CB -0.118 37.581 38.000 -0.501 0.000 1.087 21 I HN 0.390 nan 8.210 nan 0.000 0.424 22 E N 0.002 120.104 120.200 -0.163 0.000 2.171 22 E HA -0.274 4.076 4.350 0.000 0.000 0.197 22 E C 1.983 178.543 176.600 -0.067 0.000 0.997 22 E CA 1.148 57.484 56.400 -0.107 0.000 0.810 22 E CB -0.201 29.464 29.700 -0.059 0.000 0.738 22 E HN 0.652 nan 8.360 nan 0.000 0.467 23 Q N 0.227 119.992 119.800 -0.058 0.000 2.061 23 Q HA -0.066 4.274 4.340 0.000 0.000 0.195 23 Q C 2.563 178.576 176.000 0.022 0.000 0.967 23 Q CA 0.837 56.636 55.803 -0.006 0.000 0.829 23 Q CB -0.019 28.699 28.738 -0.034 0.000 0.900 23 Q HN 0.188 nan 8.270 nan 0.000 0.450 24 V N 1.467 121.327 119.914 -0.090 0.000 2.332 24 V HA -0.310 3.810 4.120 0.000 0.000 0.248 24 V C 2.432 178.538 176.094 0.020 0.000 1.055 24 V CA 1.956 64.187 62.300 -0.114 0.000 1.038 24 V CB -0.604 31.118 31.823 -0.168 0.000 0.651 24 V HN 0.344 nan 8.190 nan 0.000 0.450 25 M N 1.565 121.122 119.600 -0.072 0.000 2.143 25 M HA -0.195 4.285 4.480 0.000 0.000 0.258 25 M C 2.083 178.400 176.300 0.028 0.000 1.071 25 M CA 2.488 57.745 55.300 -0.072 0.000 1.088 25 M CB -0.807 31.708 32.600 -0.141 0.000 1.360 25 M HN 0.581 nan 8.290 nan 0.000 0.404 26 T N -2.732 111.872 114.554 0.085 0.000 3.215 26 T HA -0.058 4.292 4.350 0.000 0.000 0.254 26 T C 0.727 175.416 174.700 -0.018 0.000 1.149 26 T CA 0.604 62.722 62.100 0.031 0.000 1.042 26 T CB -0.665 68.201 68.868 -0.002 0.000 0.966 26 T HN 0.481 nan 8.240 nan 0.000 0.534 27 Y N 0.572 120.846 120.300 -0.043 0.000 2.467 27 Y HA 0.504 5.054 4.550 0.000 0.000 0.250 27 Y C 0.666 176.552 175.900 -0.022 0.000 1.155 27 Y CA -1.652 56.430 58.100 -0.030 0.000 1.249 27 Y CB 0.227 38.670 38.460 -0.028 0.000 1.146 27 Y HN 0.280 nan 8.280 nan 0.000 0.524 28 I N 0.078 120.711 120.570 0.105 0.000 2.304 28 I HA 0.122 4.292 4.170 0.000 0.000 0.291 28 I C 1.158 177.290 176.117 0.025 0.000 1.018 28 I CA 0.073 61.410 61.300 0.062 0.000 1.260 28 I CB 1.558 39.591 38.000 0.056 0.000 1.390 28 I HN -0.039 nan 8.210 nan 0.000 0.475 29 T N 2.359 116.922 114.554 0.014 0.000 3.038 29 T HA -0.011 4.339 4.350 0.000 0.000 0.244 29 T C 0.687 175.382 174.700 -0.008 0.000 1.016 29 T CA 0.077 62.170 62.100 -0.013 0.000 1.098 29 T CB 0.050 68.901 68.868 -0.028 0.000 0.954 29 T HN 0.594 nan 8.240 nan 0.000 0.469 30 D N 2.233 122.639 120.400 0.010 0.000 2.472 30 D HA 0.100 4.740 4.640 0.000 0.000 0.248 30 D C -1.717 174.596 176.300 0.023 0.000 1.174 30 D CA -1.832 52.177 54.000 0.014 0.000 0.883 30 D CB 1.623 42.439 40.800 0.028 0.000 1.149 30 D HN 0.143 nan 8.370 nan 0.000 0.488 31 P HA -0.126 nan 4.420 nan 0.000 0.221 31 P C 0.880 178.209 177.300 0.049 0.000 1.145 31 P CA 1.011 64.126 63.100 0.025 0.000 0.795 31 P CB 0.307 32.017 31.700 0.018 0.000 0.775 32 K N -0.836 119.594 120.400 0.050 0.000 2.400 32 K HA -0.003 4.317 4.320 0.000 0.000 0.194 32 K C 1.288 177.931 176.600 0.073 0.000 1.033 32 K CA 0.890 57.215 56.287 0.063 0.000 1.021 32 K CB -0.390 32.144 32.500 0.056 0.000 0.808 32 K HN -0.019 nan 8.250 nan 0.000 0.505 33 D N -0.565 119.879 120.400 0.072 0.000 2.323 33 D HA 0.016 4.656 4.640 0.000 0.000 0.218 33 D C 1.599 177.965 176.300 0.110 0.000 0.973 33 D CA 0.252 54.305 54.000 0.088 0.000 0.890 33 D CB 0.299 41.146 40.800 0.079 0.000 1.011 33 D HN -0.038 nan 8.370 nan 0.000 0.499 34 R N 1.178 121.735 120.500 0.096 0.000 2.091 34 R HA -0.133 4.207 4.340 0.000 0.000 0.238 34 R C 1.723 178.111 176.300 0.146 0.000 1.136 34 R CA 0.994 57.161 56.100 0.112 0.000 0.959 34 R CB -0.951 29.399 30.300 0.083 0.000 0.856 34 R HN 0.280 nan 8.270 nan 0.000 0.437 35 D N 0.158 120.637 120.400 0.131 0.000 2.106 35 D HA -0.136 4.504 4.640 0.000 0.000 0.191 35 D C 1.733 178.120 176.300 0.145 0.000 0.997 35 D CA 2.302 56.387 54.000 0.142 0.000 0.834 35 D CB 0.093 40.961 40.800 0.114 0.000 0.956 35 D HN 0.138 nan 8.370 nan 0.000 0.448 36 S N 0.042 115.820 115.700 0.130 0.000 2.338 36 S HA -0.160 4.311 4.470 0.000 0.000 0.218 36 S C 2.212 176.915 174.600 0.170 0.000 1.032 36 S CA 1.060 59.334 58.200 0.124 0.000 0.999 36 S CB -0.768 62.495 63.200 0.105 0.000 0.905 36 S HN 0.422 nan 8.310 nan 0.000 0.439 37 A N 2.266 125.223 122.820 0.229 0.000 1.958 37 A HA -0.202 4.118 4.320 0.000 0.000 0.221 37 A C 2.344 180.167 177.584 0.397 0.000 1.178 37 A CA 2.289 54.558 52.037 0.387 0.000 0.642 37 A CB -1.207 18.005 19.000 0.353 0.000 0.816 37 A HN 0.681 nan 8.150 nan 0.000 0.453 38 S N -1.062 114.811 115.700 0.287 0.000 2.507 38 S HA 0.088 4.558 4.470 0.000 0.000 0.235 38 S C 1.289 176.096 174.600 0.346 0.000 0.988 38 S CA 1.218 59.605 58.200 0.311 0.000 0.944 38 S CB -0.313 63.046 63.200 0.265 0.000 0.762 38 S HN 0.448 nan 8.310 nan 0.000 0.526 39 L N 1.368 122.724 121.223 0.222 0.000 2.728 39 L HA 0.312 4.652 4.340 0.000 0.000 0.238 39 L C 2.015 178.903 176.870 0.031 0.000 1.143 39 L CA 0.108 55.023 54.840 0.124 0.000 0.937 39 L CB 0.720 42.830 42.059 0.086 0.000 1.225 39 L HN 0.367 nan 8.230 nan 0.000 0.507 40 V N -1.886 118.022 119.914 -0.010 0.000 2.788 40 V HA 0.037 4.157 4.120 0.000 0.000 0.251 40 V C 0.676 176.633 176.094 -0.228 0.000 1.068 40 V CA 0.775 62.938 62.300 -0.227 0.000 1.090 40 V CB -0.055 31.392 31.823 -0.626 0.000 0.710 40 V HN 0.554 nan 8.190 nan 0.000 0.467 41 C N -2.265 116.980 119.300 -0.090 0.000 3.034 41 C HA 0.425 4.885 4.460 0.000 0.000 0.336 41 C C 1.198 176.257 174.990 0.115 0.000 1.304 41 C CA -0.359 58.636 59.018 -0.037 0.000 1.197 41 C CB 0.909 28.578 27.740 -0.118 0.000 1.373 41 C HN 0.401 nan 8.230 nan 0.000 0.459 42 R N 0.245 120.797 120.500 0.085 0.000 2.105 42 R HA -0.103 4.237 4.340 0.000 0.000 0.239 42 R C 2.490 178.947 176.300 0.261 0.000 1.135 42 R CA 2.063 58.244 56.100 0.134 0.000 0.967 42 R CB -0.244 30.091 30.300 0.058 0.000 0.861 42 R HN 0.730 nan 8.270 nan 0.000 0.442 43 R N -0.209 120.442 120.500 0.253 0.000 2.057 43 R HA -0.147 4.193 4.340 0.000 0.000 0.229 43 R C 1.887 178.397 176.300 0.349 0.000 1.136 43 R CA 1.486 57.752 56.100 0.278 0.000 0.952 43 R CB -0.186 30.277 30.300 0.272 0.000 0.848 43 R HN 0.205 nan 8.270 nan 0.000 0.430 44 W N 0.381 121.741 121.300 0.099 0.000 2.321 44 W HA -0.234 4.426 4.660 0.000 0.000 0.306 44 W C 2.072 178.653 176.519 0.104 0.000 1.217 44 W CA 1.195 58.593 57.345 0.089 0.000 1.257 44 W CB -1.110 28.402 29.460 0.087 0.000 1.145 44 W HN 0.128 nan 8.180 nan 0.000 0.509 45 F N 1.534 121.641 119.950 0.261 0.000 2.091 45 F HA -0.288 4.239 4.527 0.000 0.000 0.299 45 F C 2.388 178.241 175.800 0.089 0.000 1.103 45 F CA 2.633 60.719 58.000 0.144 0.000 1.228 45 F CB -0.632 38.420 39.000 0.086 0.000 0.984 45 F HN -0.191 nan 8.300 nan 0.000 0.477 46 K N 0.417 120.888 120.400 0.118 0.000 2.097 46 K HA -0.119 4.201 4.320 0.000 0.000 0.206 46 K C 2.102 178.649 176.600 -0.089 0.000 1.049 46 K CA 1.741 58.009 56.287 -0.031 0.000 0.933 46 K CB -0.262 32.312 32.500 0.124 0.000 0.717 46 K HN 0.418 nan 8.250 nan 0.000 0.442 47 I N 0.793 121.345 120.570 -0.029 0.000 2.315 47 I HA -0.246 3.924 4.170 0.000 0.000 0.248 47 I C 2.076 178.152 176.117 -0.069 0.000 1.117 47 I CA 1.518 62.785 61.300 -0.056 0.000 1.404 47 I CB -0.392 37.553 38.000 -0.091 0.000 1.071 47 I HN 0.329 nan 8.210 nan 0.000 0.419 48 D N 0.517 120.874 120.400 -0.071 0.000 2.097 48 D HA -0.248 4.392 4.640 0.000 0.000 0.195 48 D C 2.273 178.566 176.300 -0.012 0.000 0.989 48 D CA 1.755 55.740 54.000 -0.025 0.000 0.827 48 D CB -0.021 40.791 40.800 0.020 0.000 0.966 48 D HN 0.156 nan 8.370 nan 0.000 0.456 49 S N -0.433 115.142 115.700 -0.208 0.000 2.374 49 S HA -0.269 4.201 4.470 0.000 0.000 0.227 49 S C 1.756 176.346 174.600 -0.017 0.000 1.037 49 S CA 1.701 59.758 58.200 -0.237 0.000 1.024 49 S CB -0.544 62.336 63.200 -0.534 0.000 0.861 49 S HN 0.448 nan 8.310 nan 0.000 0.456 50 E N -0.283 119.895 120.200 -0.037 0.000 2.478 50 E HA 0.031 4.381 4.350 0.000 0.000 0.194 50 E C 1.635 178.247 176.600 0.020 0.000 1.045 50 E CA 1.016 57.418 56.400 0.002 0.000 0.868 50 E CB 0.181 29.873 29.700 -0.012 0.000 0.885 50 E HN 0.877 nan 8.360 nan 0.000 0.505 51 T N -2.310 112.258 114.554 0.025 0.000 2.959 51 T HA 0.153 4.503 4.350 0.000 0.000 0.254 51 T C 0.900 175.610 174.700 0.017 0.000 1.003 51 T CA -0.528 61.580 62.100 0.012 0.000 0.950 51 T CB 0.189 69.052 68.868 -0.009 0.000 1.090 51 T HN -0.181 nan 8.240 nan 0.000 0.503 52 R N 2.226 122.761 120.500 0.057 0.000 2.502 52 R HA 0.126 4.466 4.340 0.000 0.000 0.292 52 R C 0.971 177.238 176.300 -0.056 0.000 0.998 52 R CA 0.560 56.651 56.100 -0.014 0.000 1.056 52 R CB 0.135 30.396 30.300 -0.065 0.000 0.939 52 R HN 0.436 nan 8.270 nan 0.000 0.411 53 E N 1.519 121.678 120.200 -0.069 0.000 2.206 53 E HA -0.019 4.331 4.350 0.000 0.000 0.195 53 E C -0.080 176.495 176.600 -0.040 0.000 0.935 53 E CA 0.267 56.642 56.400 -0.042 0.000 0.875 53 E CB 0.184 29.870 29.700 -0.023 0.000 0.841 53 E HN 0.510 nan 8.360 nan 0.000 0.477 54 H N 0.682 119.651 119.070 -0.168 0.000 2.589 54 H HA 0.429 4.985 4.556 0.000 0.000 0.351 54 H C -1.418 173.761 175.328 -0.249 0.000 1.074 54 H CA -0.472 55.473 56.048 -0.172 0.000 1.203 54 H CB 1.237 30.925 29.762 -0.123 0.000 1.558 54 H HN -0.185 nan 8.280 nan 0.000 0.522 55 V N 4.055 123.569 119.914 -0.667 0.000 2.769 55 V HA 0.379 4.500 4.120 0.000 0.000 0.312 55 V C -0.120 175.645 176.094 -0.549 0.000 1.061 55 V CA -0.651 61.352 62.300 -0.495 0.000 0.931 55 V CB 2.208 33.770 31.823 -0.435 0.000 1.010 55 V HN 0.888 nan 8.190 nan 0.000 0.433 56 T N 4.786 119.206 114.554 -0.224 0.000 2.881 56 T HA 0.543 4.894 4.350 0.000 0.000 0.291 56 T C -0.490 174.139 174.700 -0.119 0.000 0.990 56 T CA -0.352 61.651 62.100 -0.161 0.000 0.976 56 T CB 1.066 69.932 68.868 -0.005 0.000 0.970 56 T HN 0.485 nan 8.240 nan 0.000 0.438 57 M N 2.808 122.308 119.600 -0.167 0.000 2.061 57 M HA 0.406 4.886 4.480 0.000 0.000 0.346 57 M C 1.293 177.517 176.300 -0.128 0.000 1.112 57 M CA -0.755 54.470 55.300 -0.126 0.000 1.021 57 M CB 1.412 33.900 32.600 -0.186 0.000 1.530 57 M HN 0.779 nan 8.290 nan 0.000 0.437 58 A N 4.452 127.228 122.820 -0.073 0.000 2.067 58 A HA 0.118 4.438 4.320 0.000 0.000 0.219 58 A C 0.785 178.316 177.584 -0.088 0.000 1.158 58 A CA 0.989 52.966 52.037 -0.100 0.000 0.661 58 A CB 0.239 19.186 19.000 -0.089 0.000 0.801 58 A HN 0.745 nan 8.150 nan 0.000 0.452 59 L N 0.118 121.325 121.223 -0.028 0.000 2.541 59 L HA 0.181 4.521 4.340 0.000 0.000 0.266 59 L C 0.987 177.855 176.870 -0.002 0.000 0.966 59 L CA -0.719 54.132 54.840 0.019 0.000 0.871 59 L CB 1.559 43.683 42.059 0.109 0.000 1.232 59 L HN 0.465 nan 8.230 nan 0.000 0.408 60 C N 1.836 121.067 119.300 -0.116 0.000 2.419 60 C HA -0.135 4.326 4.460 0.000 0.000 0.283 60 C C 1.751 176.758 174.990 0.029 0.000 1.373 60 C CA 0.362 59.260 59.018 -0.201 0.000 1.781 60 C CB -1.413 26.073 27.740 -0.424 0.000 1.886 60 C HN 0.787 nan 8.230 nan 0.000 0.520 61 Y N 0.825 121.209 120.300 0.140 0.000 2.529 61 Y HA 0.058 4.608 4.550 0.000 0.000 0.290 61 Y C 2.780 178.830 175.900 0.250 0.000 1.177 61 Y CA 0.913 59.114 58.100 0.168 0.000 1.305 61 Y CB -0.318 38.161 38.460 0.032 0.000 1.047 61 Y HN 0.340 nan 8.280 nan 0.000 0.522 62 T N -0.341 114.419 114.554 0.343 0.000 3.023 62 T HA 0.340 4.690 4.350 0.000 0.000 0.266 62 T C 0.440 175.345 174.700 0.341 0.000 1.093 62 T CA 0.722 63.043 62.100 0.369 0.000 1.129 62 T CB -0.154 68.892 68.868 0.297 0.000 0.899 62 T HN 0.283 nan 8.240 nan 0.000 0.491 63 A N -0.012 123.016 122.820 0.346 0.000 2.612 63 A HA 0.598 4.918 4.320 0.000 0.000 0.293 63 A C -0.205 177.556 177.584 0.295 0.000 1.075 63 A CA -0.852 51.369 52.037 0.307 0.000 0.680 63 A CB 0.768 19.938 19.000 0.283 0.000 1.279 63 A HN 0.241 nan 8.150 nan 0.000 0.411 64 T N 0.960 115.606 114.554 0.152 0.000 2.918 64 T HA 0.394 4.744 4.350 0.000 0.000 0.302 64 T C -2.037 172.546 174.700 -0.195 0.000 1.045 64 T CA -0.851 61.229 62.100 -0.032 0.000 1.114 64 T CB 0.505 69.357 68.868 -0.026 0.000 0.965 64 T HN 0.333 nan 8.240 nan 0.000 0.540 65 P HA -0.037 nan 4.420 nan 0.000 0.223 65 P C 1.110 178.281 177.300 -0.215 0.000 1.151 65 P CA 0.605 63.230 63.100 -0.792 0.000 0.787 65 P CB 0.089 31.061 31.700 -1.214 0.000 0.788 66 D N 0.049 120.348 120.400 -0.167 0.000 2.104 66 D HA -0.204 4.436 4.640 0.000 0.000 0.194 66 D C 2.105 178.406 176.300 0.003 0.000 0.994 66 D CA 1.182 55.145 54.000 -0.061 0.000 0.830 66 D CB -0.371 40.399 40.800 -0.050 0.000 0.959 66 D HN -0.074 nan 8.370 nan 0.000 0.452 67 R N -0.454 120.061 120.500 0.025 0.000 2.127 67 R HA -0.138 4.202 4.340 0.000 0.000 0.238 67 R C 2.348 178.708 176.300 0.100 0.000 1.134 67 R CA 1.235 57.375 56.100 0.067 0.000 0.975 67 R CB -0.405 29.952 30.300 0.095 0.000 0.865 67 R HN 0.331 nan 8.270 nan 0.000 0.447 68 L N 0.516 121.837 121.223 0.163 0.000 2.044 68 L HA -0.087 4.253 4.340 0.000 0.000 0.205 68 L C 2.328 179.321 176.870 0.205 0.000 1.075 68 L CA 2.298 57.291 54.840 0.255 0.000 0.747 68 L CB -0.497 41.811 42.059 0.415 0.000 0.903 68 L HN 0.299 nan 8.230 nan 0.000 0.435 69 S N -0.351 115.435 115.700 0.144 0.000 2.406 69 S HA -0.237 4.233 4.470 0.000 0.000 0.228 69 S C 2.237 176.875 174.600 0.064 0.000 1.020 69 S CA 0.922 59.188 58.200 0.110 0.000 0.965 69 S CB -0.671 62.573 63.200 0.075 0.000 0.798 69 S HN 0.617 nan 8.310 nan 0.000 0.488 70 R N 1.322 121.845 120.500 0.039 0.000 2.073 70 R HA -0.043 4.297 4.340 0.000 0.000 0.234 70 R C 2.558 178.836 176.300 -0.037 0.000 1.134 70 R CA 1.648 57.755 56.100 0.012 0.000 0.952 70 R CB -0.360 29.951 30.300 0.019 0.000 0.850 70 R HN 0.425 nan 8.270 nan 0.000 0.433 71 R N -0.292 120.148 120.500 -0.101 0.000 2.073 71 R HA -0.013 4.327 4.340 0.000 0.000 0.229 71 R C -0.076 175.853 176.300 -0.618 0.000 1.120 71 R CA 1.485 57.353 56.100 -0.385 0.000 0.967 71 R CB 0.069 30.050 30.300 -0.531 0.000 0.862 71 R HN 0.289 nan 8.270 nan 0.000 0.436 72 F N -0.214 119.741 119.950 0.009 0.000 2.584 72 F HA 0.385 4.912 4.527 -0.000 0.000 0.328 72 F C -1.842 173.958 175.800 -0.000 0.000 1.407 72 F CA -2.227 55.766 58.000 -0.013 0.000 1.145 72 F CB 2.011 41.007 39.000 -0.008 0.000 1.440 72 F HN -0.012 nan 8.300 nan 0.000 0.580 73 P HA -0.114 nan 4.420 nan 0.000 0.221 73 P C -0.070 177.275 177.300 0.075 0.000 1.145 73 P CA 1.478 64.626 63.100 0.080 0.000 0.795 73 P CB 0.125 31.851 31.700 0.043 0.000 0.775 74 N N -1.339 117.411 118.700 0.084 0.000 2.401 74 N HA 0.174 4.914 4.740 0.000 0.000 0.264 74 N C -0.308 175.225 175.510 0.039 0.000 1.238 74 N CA -0.315 52.766 53.050 0.051 0.000 0.889 74 N CB 0.013 38.522 38.487 0.037 0.000 1.196 74 N HN 0.029 nan 8.380 nan 0.000 0.511 75 L N 0.975 122.226 121.223 0.046 0.000 2.573 75 L HA -0.041 4.299 4.340 0.000 0.000 0.290 75 L C 1.415 178.278 176.870 -0.012 0.000 1.247 75 L CA 0.431 55.267 54.840 -0.006 0.000 0.876 75 L CB 0.558 42.607 42.059 -0.016 0.000 1.123 75 L HN 0.317 nan 8.230 nan 0.000 0.505 76 R N 0.859 121.344 120.500 -0.026 0.000 2.221 76 R HA 0.158 4.498 4.340 0.000 0.000 0.195 76 R C 0.361 176.645 176.300 -0.027 0.000 0.956 76 R CA 0.249 56.338 56.100 -0.018 0.000 1.064 76 R CB 0.447 30.739 30.300 -0.013 0.000 1.049 76 R HN 0.583 nan 8.270 nan 0.000 0.534 77 S N 0.660 116.335 115.700 -0.040 0.000 2.521 77 S HA 0.610 5.080 4.470 0.000 0.000 0.295 77 S C -1.425 173.040 174.600 -0.225 0.000 1.098 77 S CA -0.662 57.508 58.200 -0.050 0.000 0.999 77 S CB 1.042 64.320 63.200 0.129 0.000 1.034 77 S HN 0.060 nan 8.310 nan 0.000 0.483 78 L N 3.596 124.685 121.223 -0.224 0.000 2.371 78 L HA 0.790 5.130 4.340 0.000 0.000 0.262 78 L C -1.184 175.521 176.870 -0.276 0.000 1.006 78 L CA -0.314 54.343 54.840 -0.306 0.000 0.818 78 L CB 1.937 43.893 42.059 -0.171 0.000 1.354 78 L HN 0.788 nan 8.230 nan 0.000 0.415 79 K N 4.600 124.811 120.400 -0.314 0.000 2.615 79 K HA 0.597 4.917 4.320 0.000 0.000 0.249 79 K C -2.205 174.234 176.600 -0.268 0.000 0.977 79 K CA -0.466 55.670 56.287 -0.252 0.000 0.833 79 K CB 1.025 33.395 32.500 -0.216 0.000 1.208 79 K HN 0.699 nan 8.250 nan 0.000 0.443 80 L N 4.006 125.098 121.223 -0.218 0.000 2.341 80 L HA 0.557 4.897 4.340 0.000 0.000 0.278 80 L C -0.393 176.360 176.870 -0.196 0.000 1.005 80 L CA -1.039 53.636 54.840 -0.274 0.000 0.818 80 L CB 1.850 43.668 42.059 -0.400 0.000 1.259 80 L HN 0.489 nan 8.230 nan 0.000 0.418 81 K N 0.962 121.239 120.400 -0.206 0.000 2.156 81 K HA 0.667 4.987 4.320 0.000 0.000 0.254 81 K C 0.235 176.772 176.600 -0.104 0.000 0.950 81 K CA -0.516 55.683 56.287 -0.146 0.000 0.849 81 K CB 2.503 34.908 32.500 -0.158 0.000 1.100 81 K HN 0.751 nan 8.250 nan 0.000 0.434 82 G N 1.416 110.195 108.800 -0.035 0.000 2.694 82 G HA2 0.122 4.082 3.960 0.000 0.000 0.212 82 G HA3 0.122 4.082 3.960 0.000 0.000 0.212 82 G C -0.652 174.371 174.900 0.205 0.000 2.030 82 G CA -0.426 44.734 45.100 0.099 0.000 0.731 82 G HN 0.416 nan 8.290 nan 0.000 0.795 83 K N 1.813 122.317 120.400 0.173 0.000 2.586 83 K HA 0.078 4.398 4.320 0.000 0.000 0.280 83 K C -2.236 174.167 176.600 -0.328 0.000 0.972 83 K CA -0.604 55.531 56.287 -0.254 0.000 1.040 83 K CB 0.260 32.662 32.500 -0.163 0.000 0.870 83 K HN 0.095 nan 8.250 nan 0.000 0.497 84 P HA -0.073 nan 4.420 nan 0.000 0.270 84 P C 0.333 177.432 177.300 -0.335 0.000 1.216 84 P CA 0.098 62.994 63.100 -0.340 0.000 0.788 84 P CB 0.486 31.870 31.700 -0.526 0.000 0.883 85 R N 1.515 121.850 120.500 -0.275 0.000 2.120 85 R HA -0.140 4.200 4.340 0.000 0.000 0.234 85 R C 2.025 178.238 176.300 -0.144 0.000 1.123 85 R CA 1.584 57.575 56.100 -0.181 0.000 0.975 85 R CB -0.774 29.460 30.300 -0.110 0.000 0.866 85 R HN 0.533 nan 8.270 nan 0.000 0.446 86 A N 0.681 123.233 122.820 -0.447 0.000 2.076 86 A HA -0.146 4.175 4.320 0.000 0.000 0.220 86 A C 2.216 179.707 177.584 -0.154 0.000 1.160 86 A CA 1.592 53.372 52.037 -0.429 0.000 0.653 86 A CB -0.473 17.795 19.000 -1.219 0.000 0.801 86 A HN 0.436 nan 8.150 nan 0.000 0.455 87 A N -0.505 122.175 122.820 -0.233 0.000 2.019 87 A HA -0.066 4.254 4.320 0.000 0.000 0.219 87 A C 1.989 179.504 177.584 -0.115 0.000 1.164 87 A CA 1.487 53.426 52.037 -0.163 0.000 0.644 87 A CB -0.545 18.336 19.000 -0.199 0.000 0.805 87 A HN 0.546 nan 8.150 nan 0.000 0.449 88 M N -1.505 118.016 119.600 -0.132 0.000 2.722 88 M HA 0.085 4.565 4.480 0.000 0.000 0.238 88 M C -0.197 175.694 176.300 -0.681 0.000 1.098 88 M CA 0.791 55.866 55.300 -0.375 0.000 1.062 88 M CB -0.112 32.204 32.600 -0.473 0.000 1.573 88 M HN 0.457 nan 8.290 nan 0.000 0.531 89 F N -0.529 119.364 119.950 -0.095 0.000 2.815 89 F HA 0.295 4.822 4.527 0.000 0.000 0.323 89 F C 0.230 175.993 175.800 -0.062 0.000 1.151 89 F CA -0.798 57.164 58.000 -0.064 0.000 1.191 89 F CB 0.101 39.069 39.000 -0.053 0.000 1.069 89 F HN 0.088 nan 8.300 nan 0.000 0.514 90 N N 1.831 120.547 118.700 0.028 0.000 2.714 90 N HA -0.196 4.544 4.740 0.000 0.000 0.253 90 N C 0.436 175.939 175.510 -0.011 0.000 1.024 90 N CA 0.638 53.689 53.050 0.002 0.000 0.726 90 N CB -1.195 37.296 38.487 0.007 0.000 0.908 90 N HN 0.450 nan 8.380 nan 0.000 0.542 91 L N -1.143 120.083 121.223 0.005 0.000 2.717 91 L HA 0.273 4.613 4.340 0.000 0.000 0.239 91 L C 0.584 177.537 176.870 0.138 0.000 1.086 91 L CA 0.255 55.114 54.840 0.033 0.000 0.897 91 L CB 0.325 42.425 42.059 0.068 0.000 1.214 91 L HN 0.112 nan 8.230 nan 0.000 0.508 92 I N 1.355 121.938 120.570 0.022 0.000 2.359 92 I HA 0.336 4.506 4.170 0.000 0.000 0.294 92 I C -2.112 174.031 176.117 0.044 0.000 0.987 92 I CA -2.548 58.762 61.300 0.017 0.000 1.225 92 I CB 1.167 39.057 38.000 -0.184 0.000 1.366 92 I HN -0.294 nan 8.210 nan 0.000 0.466 93 P HA -0.048 nan 4.420 nan 0.000 0.266 93 P C 0.716 178.095 177.300 0.133 0.000 1.186 93 P CA 0.285 63.459 63.100 0.124 0.000 0.767 93 P CB 0.897 32.702 31.700 0.175 0.000 0.820 94 E N 3.356 123.613 120.200 0.095 0.000 2.072 94 E HA -0.202 4.148 4.350 0.000 0.000 0.191 94 E C 1.155 177.816 176.600 0.102 0.000 0.985 94 E CA 1.637 58.082 56.400 0.075 0.000 0.801 94 E CB -0.652 29.074 29.700 0.042 0.000 0.750 94 E HN 0.414 nan 8.360 nan 0.000 0.452 95 N N -0.280 118.494 118.700 0.123 0.000 2.449 95 N HA -0.101 4.639 4.740 0.000 0.000 0.191 95 N C 1.225 176.822 175.510 0.144 0.000 1.161 95 N CA 0.374 53.500 53.050 0.128 0.000 0.863 95 N CB -1.137 37.429 38.487 0.132 0.000 0.980 95 N HN 0.336 nan 8.380 nan 0.000 0.458 96 W N 1.801 123.102 121.300 0.003 0.000 2.325 96 W HA 0.033 4.693 4.660 0.000 0.000 0.299 96 W C 0.692 177.223 176.519 0.021 0.000 1.215 96 W CA 2.180 59.539 57.345 0.023 0.000 1.244 96 W CB -0.062 29.417 29.460 0.031 0.000 1.140 96 W HN 0.331 nan 8.180 nan 0.000 0.523 97 G N -2.478 106.254 108.800 -0.113 0.000 2.353 97 G HA2 0.407 4.367 3.960 0.000 0.000 0.424 97 G HA3 0.407 4.367 3.960 0.000 0.000 0.424 97 G C 0.188 175.032 174.900 -0.094 0.000 1.320 97 G CA -0.092 44.788 45.100 -0.366 0.000 0.995 97 G HN 1.104 nan 8.290 nan 0.000 0.580 98 G N -1.897 106.879 108.800 -0.040 0.000 2.164 98 G HA2 0.069 4.029 3.960 0.000 0.000 0.154 98 G HA3 0.069 4.029 3.960 0.000 0.000 0.154 98 G C 0.318 175.135 174.900 -0.139 0.000 1.014 98 G CA 0.335 45.420 45.100 -0.025 0.000 0.683 98 G HN 1.538 nan 8.290 nan 0.000 0.500 99 Y N -0.503 119.817 120.300 0.035 0.000 2.712 99 Y HA 0.269 4.819 4.550 0.000 0.000 0.333 99 Y C 1.576 177.462 175.900 -0.022 0.000 1.225 99 Y CA 0.880 58.983 58.100 0.004 0.000 1.499 99 Y CB 1.242 39.721 38.460 0.032 0.000 1.288 99 Y HN -0.024 nan 8.280 nan 0.000 0.575 100 V N 2.227 122.172 119.914 0.053 0.000 3.661 100 V HA -0.121 3.999 4.120 0.000 0.000 0.271 100 V C 1.806 177.938 176.094 0.063 0.000 1.315 100 V CA 1.312 63.549 62.300 -0.105 0.000 1.072 100 V CB -0.270 31.169 31.823 -0.640 0.000 0.830 100 V HN 1.103 nan 8.190 nan 0.000 0.443 101 T N -0.599 114.000 114.554 0.075 0.000 2.684 101 T HA -0.101 4.249 4.350 0.000 0.000 0.267 101 T C -0.046 174.671 174.700 0.028 0.000 1.036 101 T CA 1.733 63.861 62.100 0.047 0.000 1.148 101 T CB -1.652 67.229 68.868 0.023 0.000 0.863 101 T HN 0.394 nan 8.240 nan 0.000 0.436 102 P HA -0.038 nan 4.420 nan 0.000 0.217 102 P C 0.703 177.845 177.300 -0.262 0.000 1.148 102 P CA 1.091 64.077 63.100 -0.191 0.000 0.828 102 P CB -0.329 31.180 31.700 -0.318 0.000 0.783 103 W N -0.552 120.742 121.300 -0.010 0.000 2.418 103 W HA -0.055 4.605 4.660 -0.000 0.000 0.292 103 W C 2.310 178.862 176.519 0.056 0.000 1.213 103 W CA 0.827 58.187 57.345 0.025 0.000 1.283 103 W CB -1.207 28.271 29.460 0.030 0.000 1.119 103 W HN -0.182 nan 8.180 nan 0.000 0.542 104 V N -0.314 119.744 119.914 0.240 0.000 2.719 104 V HA -0.153 3.967 4.120 0.000 0.000 0.252 104 V C 2.003 178.152 176.094 0.091 0.000 1.065 104 V CA 2.266 64.675 62.300 0.182 0.000 1.086 104 V CB -1.109 30.815 31.823 0.168 0.000 0.700 104 V HN 0.235 nan 8.190 nan 0.000 0.467 105 T N -1.930 112.648 114.554 0.041 0.000 2.915 105 T HA -0.132 4.218 4.350 0.000 0.000 0.269 105 T C 1.721 176.423 174.700 0.003 0.000 1.071 105 T CA 1.589 63.693 62.100 0.007 0.000 1.132 105 T CB -0.318 68.538 68.868 -0.020 0.000 0.878 105 T HN 0.583 nan 8.240 nan 0.000 0.479 106 E N 1.398 121.598 120.200 0.001 0.000 2.072 106 E HA 0.060 4.410 4.350 0.000 0.000 0.190 106 E C 1.998 178.631 176.600 0.055 0.000 0.982 106 E CA 0.794 57.195 56.400 0.002 0.000 0.803 106 E CB -0.570 29.102 29.700 -0.047 0.000 0.755 106 E HN 0.620 nan 8.360 nan 0.000 0.453 107 I N 0.179 120.810 120.570 0.102 0.000 2.208 107 I HA -0.285 3.885 4.170 0.000 0.000 0.245 107 I C 2.474 178.624 176.117 0.056 0.000 1.097 107 I CA 1.345 62.702 61.300 0.096 0.000 1.363 107 I CB -0.487 37.586 38.000 0.123 0.000 1.051 107 I HN 0.160 nan 8.210 nan 0.000 0.413 108 S N 0.742 116.469 115.700 0.046 0.000 2.383 108 S HA -0.210 4.260 4.470 0.000 0.000 0.229 108 S C 1.618 176.228 174.600 0.016 0.000 1.030 108 S CA 2.158 60.372 58.200 0.023 0.000 1.002 108 S CB -0.389 62.819 63.200 0.014 0.000 0.829 108 S HN 0.537 nan 8.310 nan 0.000 0.467 109 N N -0.599 118.111 118.700 0.017 0.000 2.454 109 N HA 0.190 4.930 4.740 0.000 0.000 0.177 109 N C 0.786 176.305 175.510 0.015 0.000 1.049 109 N CA 0.464 53.520 53.050 0.010 0.000 0.887 109 N CB 0.222 38.710 38.487 0.001 0.000 1.095 109 N HN 0.291 nan 8.380 nan 0.000 0.446 110 N N -0.044 118.671 118.700 0.025 0.000 2.211 110 N HA 0.186 4.926 4.740 0.000 0.000 0.216 110 N C -0.381 175.154 175.510 0.042 0.000 1.240 110 N CA 0.161 53.229 53.050 0.029 0.000 0.895 110 N CB 1.209 39.713 38.487 0.027 0.000 1.102 110 N HN 0.050 nan 8.380 nan 0.000 0.498 111 L N 1.464 122.716 121.223 0.049 0.000 2.923 111 L HA 0.357 4.697 4.340 0.000 0.000 0.231 111 L C 0.889 177.780 176.870 0.035 0.000 1.300 111 L CA -0.198 54.673 54.840 0.052 0.000 1.184 111 L CB 0.353 42.454 42.059 0.070 0.000 1.511 111 L HN -0.302 nan 8.230 nan 0.000 0.448 112 R N 0.067 120.584 120.500 0.028 0.000 2.366 112 R HA -0.097 4.243 4.340 0.000 0.000 0.201 112 R C 1.437 177.745 176.300 0.014 0.000 1.057 112 R CA 0.537 56.648 56.100 0.019 0.000 1.086 112 R CB -0.240 30.070 30.300 0.016 0.000 0.914 112 R HN 0.385 nan 8.270 nan 0.000 0.476 113 Q N -1.133 118.676 119.800 0.015 0.000 2.164 113 Q HA 0.211 4.551 4.340 0.000 0.000 0.226 113 Q C -0.777 175.225 176.000 0.002 0.000 0.813 113 Q CA -0.193 55.615 55.803 0.009 0.000 0.978 113 Q CB 0.586 29.331 28.738 0.011 0.000 1.149 113 Q HN 0.099 nan 8.270 nan 0.000 0.489 114 L N 1.917 123.142 121.223 0.003 0.000 2.462 114 L HA 0.103 4.443 4.340 0.000 0.000 0.272 114 L C 0.723 177.584 176.870 -0.015 0.000 1.166 114 L CA 0.995 55.830 54.840 -0.008 0.000 0.880 114 L CB 0.708 42.765 42.059 -0.004 0.000 1.142 114 L HN 0.219 nan 8.230 nan 0.000 0.473 115 K N 1.338 121.725 120.400 -0.023 0.000 2.440 115 K HA 0.258 4.578 4.320 0.000 0.000 0.207 115 K C 0.065 176.643 176.600 -0.038 0.000 1.112 115 K CA -0.087 56.185 56.287 -0.024 0.000 1.036 115 K CB 0.551 33.041 32.500 -0.018 0.000 0.935 115 K HN 0.419 nan 8.250 nan 0.000 0.564 116 S N 0.781 116.451 115.700 -0.050 0.000 2.668 116 S HA 0.460 4.930 4.470 0.000 0.000 0.277 116 S C -1.436 173.096 174.600 -0.112 0.000 1.170 116 S CA -0.546 57.612 58.200 -0.069 0.000 0.994 116 S CB 1.774 64.951 63.200 -0.038 0.000 1.051 116 S HN 0.045 nan 8.310 nan 0.000 0.484 117 V N 5.268 125.071 119.914 -0.184 0.000 2.540 117 V HA 0.537 4.657 4.120 0.000 0.000 0.302 117 V C -0.517 175.355 176.094 -0.370 0.000 1.035 117 V CA -0.704 61.401 62.300 -0.326 0.000 0.873 117 V CB 1.643 33.166 31.823 -0.499 0.000 0.992 117 V HN 0.997 nan 8.190 nan 0.000 0.428 118 H N 4.442 123.239 119.070 -0.454 0.000 2.800 118 H HA 0.600 5.156 4.556 0.000 0.000 0.322 118 H C -1.665 173.493 175.328 -0.283 0.000 0.979 118 H CA -0.749 55.106 56.048 -0.322 0.000 1.277 118 H CB 0.880 30.552 29.762 -0.151 0.000 1.484 118 H HN 0.493 nan 8.280 nan 0.000 0.512 119 F N 3.553 123.626 119.950 0.205 0.000 2.421 119 F HA 0.415 4.942 4.527 0.000 0.000 0.337 119 F C 0.301 176.184 175.800 0.137 0.000 1.105 119 F CA -0.834 57.203 58.000 0.062 0.000 1.049 119 F CB 1.510 40.507 39.000 -0.004 0.000 1.139 119 F HN 0.477 nan 8.300 nan 0.000 0.479 120 R N 2.602 123.209 120.500 0.180 0.000 2.483 120 R HA 0.495 4.835 4.340 0.000 0.000 0.303 120 R C -0.283 176.031 176.300 0.024 0.000 0.987 120 R CA -0.594 55.557 56.100 0.086 0.000 0.881 120 R CB 0.656 30.917 30.300 -0.065 0.000 1.177 120 R HN 0.744 nan 8.270 nan 0.000 0.451 121 R N 3.268 123.790 120.500 0.036 0.000 3.336 121 R HA -0.185 4.155 4.340 0.000 0.000 0.260 121 R C -0.606 175.703 176.300 0.016 0.000 1.032 121 R CA 1.045 57.148 56.100 0.005 0.000 0.693 121 R CB -1.278 28.996 30.300 -0.043 0.000 1.134 121 R HN 0.588 nan 8.270 nan 0.000 0.433 122 M N 0.361 119.975 119.600 0.023 0.000 2.821 122 M HA 0.512 4.992 4.480 0.000 0.000 0.304 122 M C 0.359 176.642 176.300 -0.027 0.000 1.233 122 M CA -1.115 54.165 55.300 -0.033 0.000 0.851 122 M CB 1.638 34.161 32.600 -0.128 0.000 1.723 122 M HN -0.081 nan 8.290 nan 0.000 0.493 123 I N 2.664 123.181 120.570 -0.088 0.000 2.297 123 I HA 0.315 4.485 4.170 0.000 0.000 0.291 123 I C -0.625 175.500 176.117 0.012 0.000 1.033 123 I CA -0.501 60.776 61.300 -0.038 0.000 1.253 123 I CB 0.399 38.296 38.000 -0.172 0.000 1.396 123 I HN 0.264 nan 8.210 nan 0.000 0.476 124 V N 5.738 125.716 119.914 0.106 0.000 2.409 124 V HA 0.329 4.449 4.120 0.000 0.000 0.291 124 V C 0.534 176.755 176.094 0.212 0.000 1.020 124 V CA -0.525 61.821 62.300 0.077 0.000 0.848 124 V CB 1.673 33.483 31.823 -0.023 0.000 0.990 124 V HN 0.887 nan 8.190 nan 0.000 0.430 125 S N 2.002 117.787 115.700 0.142 0.000 2.646 125 S HA 0.311 4.781 4.470 0.000 0.000 0.276 125 S C 0.668 175.350 174.600 0.136 0.000 1.222 125 S CA -0.531 57.763 58.200 0.157 0.000 1.014 125 S CB 1.540 64.808 63.200 0.114 0.000 0.991 125 S HN 0.620 nan 8.310 nan 0.000 0.533 126 D N 0.451 120.938 120.400 0.145 0.000 2.149 126 D HA -0.102 4.538 4.640 0.000 0.000 0.198 126 D C 1.686 178.026 176.300 0.068 0.000 0.990 126 D CA 1.152 55.219 54.000 0.112 0.000 0.839 126 D CB -0.340 40.521 40.800 0.101 0.000 0.948 126 D HN 0.507 nan 8.370 nan 0.000 0.460 127 L N 1.320 122.579 121.223 0.059 0.000 2.005 127 L HA -0.162 4.178 4.340 0.000 0.000 0.207 127 L C 1.501 178.389 176.870 0.030 0.000 1.072 127 L CA 2.079 56.942 54.840 0.038 0.000 0.744 127 L CB -0.855 41.222 42.059 0.030 0.000 0.895 127 L HN -0.024 nan 8.230 nan 0.000 0.433 128 D N -0.278 120.144 120.400 0.037 0.000 2.219 128 D HA -0.237 4.403 4.640 0.000 0.000 0.205 128 D C 2.037 178.360 176.300 0.038 0.000 0.970 128 D CA 1.841 55.862 54.000 0.034 0.000 0.851 128 D CB -0.798 40.023 40.800 0.034 0.000 0.943 128 D HN 0.602 nan 8.370 nan 0.000 0.488 129 L N -1.751 119.489 121.223 0.028 0.000 2.375 129 L HA 0.228 4.568 4.340 0.000 0.000 0.215 129 L C 1.773 178.646 176.870 0.006 0.000 1.108 129 L CA 1.164 56.013 54.840 0.015 0.000 0.830 129 L CB -0.509 41.531 42.059 -0.032 0.000 0.959 129 L HN -0.186 nan 8.230 nan 0.000 0.457 130 D N 0.840 121.246 120.400 0.011 0.000 2.149 130 D HA -0.227 4.413 4.640 0.000 0.000 0.198 130 D C 2.331 178.599 176.300 -0.052 0.000 0.990 130 D CA 1.549 55.545 54.000 -0.007 0.000 0.839 130 D CB 0.109 40.915 40.800 0.011 0.000 0.948 130 D HN 0.275 nan 8.370 nan 0.000 0.460 131 R N -0.222 120.263 120.500 -0.024 0.000 2.075 131 R HA -0.039 4.301 4.340 0.000 0.000 0.232 131 R C 2.431 178.713 176.300 -0.029 0.000 1.126 131 R CA 0.645 56.727 56.100 -0.030 0.000 0.963 131 R CB -0.434 29.865 30.300 -0.002 0.000 0.858 131 R HN 0.318 nan 8.270 nan 0.000 0.435 132 L N 0.438 121.662 121.223 0.002 0.000 1.970 132 L HA -0.217 4.123 4.340 0.000 0.000 0.212 132 L C 2.410 179.268 176.870 -0.020 0.000 1.071 132 L CA 1.805 56.655 54.840 0.017 0.000 0.751 132 L CB -0.663 41.429 42.059 0.055 0.000 0.889 132 L HN 0.241 nan 8.230 nan 0.000 0.432 133 A N 0.178 122.978 122.820 -0.034 0.000 1.869 133 A HA -0.314 4.006 4.320 0.000 0.000 0.218 133 A C 2.227 179.737 177.584 -0.123 0.000 1.203 133 A CA 2.468 54.481 52.037 -0.039 0.000 0.638 133 A CB -0.607 18.396 19.000 0.005 0.000 0.831 133 A HN 0.488 nan 8.150 nan 0.000 0.450 134 K N -0.607 119.628 120.400 -0.274 0.000 2.057 134 K HA -0.030 4.290 4.320 0.000 0.000 0.207 134 K C 2.302 178.830 176.600 -0.121 0.000 1.049 134 K CA 1.166 57.265 56.287 -0.313 0.000 0.931 134 K CB -0.343 31.954 32.500 -0.339 0.000 0.714 134 K HN 0.461 nan 8.250 nan 0.000 0.440 135 A N 0.920 123.694 122.820 -0.077 0.000 1.969 135 A HA -0.117 4.203 4.320 0.000 0.000 0.218 135 A C 2.053 179.627 177.584 -0.017 0.000 1.169 135 A CA 1.506 53.522 52.037 -0.034 0.000 0.635 135 A CB -0.132 18.859 19.000 -0.015 0.000 0.810 135 A HN 0.083 nan 8.150 nan 0.000 0.445 136 R N -2.401 118.090 120.500 -0.016 0.000 2.316 136 R HA 0.470 4.810 4.340 0.000 0.000 0.201 136 R C 1.238 177.540 176.300 0.003 0.000 0.888 136 R CA 0.975 57.073 56.100 -0.004 0.000 1.041 136 R CB -0.336 29.962 30.300 -0.004 0.000 1.115 136 R HN 0.593 nan 8.270 nan 0.000 0.559 137 A N 0.867 123.692 122.820 0.008 0.000 5.468 137 A HA -0.405 3.915 4.320 0.000 0.000 0.338 137 A C 1.257 178.861 177.584 0.033 0.000 1.722 137 A CA 1.923 53.983 52.037 0.039 0.000 0.740 137 A CB -1.634 17.393 19.000 0.044 0.000 1.424 137 A HN 0.391 nan 8.150 nan 0.000 0.408 138 D N -0.499 119.920 120.400 0.032 0.000 2.221 138 D HA -0.054 4.586 4.640 0.000 0.000 0.204 138 D C 1.335 177.643 176.300 0.013 0.000 0.982 138 D CA 1.588 55.602 54.000 0.023 0.000 0.857 138 D CB -0.459 40.353 40.800 0.019 0.000 0.934 138 D HN 0.505 nan 8.370 nan 0.000 0.475 139 D N -0.382 120.024 120.400 0.009 0.000 2.264 139 D HA -0.064 4.576 4.640 0.000 0.000 0.208 139 D C 0.616 176.914 176.300 -0.004 0.000 0.966 139 D CA 0.065 54.066 54.000 0.002 0.000 0.864 139 D CB -0.094 40.706 40.800 0.001 0.000 0.933 139 D HN 0.158 nan 8.370 nan 0.000 0.499 140 L N 1.495 122.716 121.223 -0.004 0.000 2.515 140 L HA 0.026 4.366 4.340 0.000 0.000 0.281 140 L C 1.080 177.941 176.870 -0.015 0.000 1.131 140 L CA 0.451 55.281 54.840 -0.016 0.000 0.905 140 L CB 0.261 42.309 42.059 -0.017 0.000 1.246 140 L HN -0.091 nan 8.230 nan 0.000 0.463 141 E N 1.516 121.703 120.200 -0.022 0.000 2.216 141 E HA 0.026 4.376 4.350 0.000 0.000 0.192 141 E C 0.228 176.811 176.600 -0.027 0.000 0.973 141 E CA 0.705 57.094 56.400 -0.019 0.000 0.851 141 E CB 0.462 30.151 29.700 -0.018 0.000 0.804 141 E HN 0.671 nan 8.360 nan 0.000 0.477 142 T N -0.166 114.361 114.554 -0.044 0.000 2.909 142 T HA 0.511 4.861 4.350 0.000 0.000 0.299 142 T C -1.812 172.830 174.700 -0.097 0.000 1.073 142 T CA -0.892 61.172 62.100 -0.061 0.000 0.999 142 T CB 1.579 70.410 68.868 -0.061 0.000 1.098 142 T HN -0.018 nan 8.240 nan 0.000 0.477 143 L N 3.204 124.359 121.223 -0.114 0.000 2.476 143 L HA 0.663 5.003 4.340 0.000 0.000 0.269 143 L C -1.312 175.448 176.870 -0.184 0.000 0.965 143 L CA -0.365 54.376 54.840 -0.164 0.000 0.845 143 L CB 1.731 43.709 42.059 -0.135 0.000 1.259 143 L HN 0.732 nan 8.230 nan 0.000 0.403 144 K N 7.031 127.277 120.400 -0.256 0.000 2.464 144 K HA 0.462 4.782 4.320 0.000 0.000 0.252 144 K C -1.091 175.401 176.600 -0.179 0.000 1.000 144 K CA -0.516 55.593 56.287 -0.298 0.000 0.951 144 K CB 1.457 33.556 32.500 -0.667 0.000 1.183 144 K HN 0.600 nan 8.250 nan 0.000 0.445 145 L N 3.187 124.360 121.223 -0.084 0.000 2.375 145 L HA 0.131 4.471 4.340 0.000 0.000 0.276 145 L C -0.001 176.928 176.870 0.098 0.000 1.162 145 L CA -0.403 54.457 54.840 0.033 0.000 0.991 145 L CB -0.204 41.814 42.059 -0.068 0.000 1.315 145 L HN 0.481 nan 8.230 nan 0.000 0.431 146 D N 4.918 125.395 120.400 0.128 0.000 2.428 146 D HA 0.138 4.778 4.640 0.000 0.000 0.221 146 D C 0.283 176.659 176.300 0.127 0.000 1.123 146 D CA -0.353 53.723 54.000 0.126 0.000 0.869 146 D CB 0.499 41.434 40.800 0.224 0.000 1.032 146 D HN 0.323 nan 8.370 nan 0.000 0.506 147 K N 1.627 122.089 120.400 0.103 0.000 3.096 147 K HA -0.164 4.156 4.320 0.000 0.000 0.266 147 K C -0.306 176.345 176.600 0.084 0.000 1.043 147 K CA 0.402 56.726 56.287 0.062 0.000 0.758 147 K CB -2.408 30.099 32.500 0.011 0.000 1.260 147 K HN 0.413 nan 8.250 nan 0.000 0.481 148 C N 0.104 119.503 119.300 0.166 0.000 2.354 148 C HA 0.750 5.210 4.460 0.000 0.000 0.381 148 C C 1.055 176.186 174.990 0.234 0.000 1.240 148 C CA -0.233 58.903 59.018 0.198 0.000 2.089 148 C CB 1.522 29.408 27.740 0.242 0.000 2.234 148 C HN 0.619 nan 8.230 nan 0.000 0.544 149 S N -1.309 114.514 115.700 0.204 0.000 2.651 149 S HA 0.791 5.261 4.470 0.000 0.000 0.279 149 S C 0.008 174.704 174.600 0.160 0.000 1.148 149 S CA 0.263 58.515 58.200 0.087 0.000 0.837 149 S CB 1.221 64.417 63.200 -0.007 0.000 1.138 149 S HN 2.464 nan 8.310 nan 0.000 0.478 150 G N -0.053 108.757 108.800 0.016 0.000 2.159 150 G HA2 -0.098 3.862 3.960 0.000 0.000 0.227 150 G HA3 -0.098 3.862 3.960 0.000 0.000 0.227 150 G C -0.264 174.731 174.900 0.158 0.000 0.986 150 G CA 0.211 45.362 45.100 0.085 0.000 0.651 150 G HN 1.553 nan 8.290 nan 0.000 0.523 151 F N -0.017 119.974 119.950 0.070 0.000 2.712 151 F HA 0.952 5.479 4.527 0.000 0.000 0.367 151 F C 0.311 176.155 175.800 0.074 0.000 1.132 151 F CA -0.449 57.584 58.000 0.054 0.000 1.066 151 F CB 1.186 40.202 39.000 0.027 0.000 1.416 151 F HN 0.530 nan 8.300 nan 0.000 0.515 152 T N -4.166 110.506 114.554 0.197 0.000 2.754 152 T HA 0.283 4.633 4.350 0.000 0.000 0.296 152 T C 0.735 175.469 174.700 0.057 0.000 1.205 152 T CA -0.027 62.109 62.100 0.060 0.000 1.009 152 T CB 0.784 69.688 68.868 0.060 0.000 1.368 152 T HN 1.080 nan 8.240 nan 0.000 0.509 153 T N -1.086 113.455 114.554 -0.022 0.000 2.822 153 T HA -0.165 4.185 4.350 0.000 0.000 0.270 153 T C 1.159 175.879 174.700 0.033 0.000 1.064 153 T CA 2.034 64.105 62.100 -0.048 0.000 1.131 153 T CB -0.986 67.955 68.868 0.121 0.000 0.858 153 T HN 0.627 nan 8.240 nan 0.000 0.483 154 D N 1.807 122.248 120.400 0.069 0.000 2.104 154 D HA 0.011 4.651 4.640 0.000 0.000 0.194 154 D C 2.453 178.795 176.300 0.069 0.000 0.994 154 D CA 1.491 55.538 54.000 0.078 0.000 0.830 154 D CB -1.158 39.686 40.800 0.074 0.000 0.959 154 D HN 0.564 nan 8.370 nan 0.000 0.452 155 G N 1.338 110.181 108.800 0.072 0.000 2.545 155 G HA2 -0.270 3.690 3.960 0.000 0.000 0.217 155 G HA3 -0.270 3.690 3.960 0.000 0.000 0.217 155 G C 1.746 176.636 174.900 -0.016 0.000 1.218 155 G CA 0.915 46.040 45.100 0.042 0.000 0.787 155 G HN 0.264 nan 8.290 nan 0.000 0.571 156 L N -0.302 120.864 121.223 -0.094 0.000 2.010 156 L HA -0.198 4.142 4.340 0.000 0.000 0.219 156 L C 2.813 179.689 176.870 0.011 0.000 1.077 156 L CA 1.346 56.073 54.840 -0.188 0.000 0.773 156 L CB -0.736 40.979 42.059 -0.574 0.000 0.892 156 L HN 0.253 nan 8.230 nan 0.000 0.436 157 L N -0.424 120.855 121.223 0.095 0.000 2.042 157 L HA -0.228 4.113 4.340 0.000 0.000 0.210 157 L C 2.781 179.718 176.870 0.112 0.000 1.076 157 L CA 2.073 57.009 54.840 0.160 0.000 0.749 157 L CB -0.708 41.442 42.059 0.151 0.000 0.893 157 L HN 0.189 nan 8.230 nan 0.000 0.432 158 S N -0.594 115.171 115.700 0.108 0.000 2.370 158 S HA -0.188 4.282 4.470 0.000 0.000 0.226 158 S C 2.055 176.775 174.600 0.200 0.000 1.033 158 S CA 1.635 59.939 58.200 0.174 0.000 1.011 158 S CB -0.545 62.746 63.200 0.151 0.000 0.852 158 S HN 0.607 nan 8.310 nan 0.000 0.457 159 I N 0.530 121.161 120.570 0.102 0.000 2.617 159 I HA 0.040 4.210 4.170 0.000 0.000 0.256 159 I C 1.927 178.095 176.117 0.086 0.000 1.167 159 I CA 1.062 62.412 61.300 0.084 0.000 1.469 159 I CB -0.451 37.557 38.000 0.013 0.000 1.098 159 I HN 0.220 nan 8.210 nan 0.000 0.436 160 V N -0.433 119.537 119.914 0.093 0.000 2.871 160 V HA -0.069 4.051 4.120 0.000 0.000 0.256 160 V C 2.451 178.574 176.094 0.048 0.000 1.082 160 V CA 1.661 64.019 62.300 0.097 0.000 1.105 160 V CB -1.928 29.994 31.823 0.164 0.000 0.713 160 V HN 0.673 nan 8.190 nan 0.000 0.473 161 T N -2.217 112.341 114.554 0.006 0.000 2.976 161 T HA -0.012 4.338 4.350 0.000 0.000 0.257 161 T C 1.720 176.312 174.700 -0.180 0.000 1.051 161 T CA 1.423 63.449 62.100 -0.123 0.000 1.141 161 T CB -0.536 68.202 68.868 -0.215 0.000 0.881 161 T HN 0.578 nan 8.240 nan 0.000 0.461 162 H N -0.181 118.886 119.070 -0.004 0.000 2.520 162 H HA 0.366 4.922 4.556 0.000 0.000 0.279 162 H C 0.465 175.789 175.328 -0.006 0.000 0.990 162 H CA 0.300 56.343 56.048 -0.008 0.000 1.288 162 H CB 0.181 29.941 29.762 -0.002 0.000 1.446 162 H HN 0.348 nan 8.280 nan 0.000 0.538 163 C N 2.365 121.733 119.300 0.113 0.000 2.125 163 C HA 0.259 4.719 4.460 0.000 0.000 0.355 163 C C 1.237 176.251 174.990 0.040 0.000 1.047 163 C CA -0.596 58.460 59.018 0.063 0.000 1.501 163 C CB -0.681 27.087 27.740 0.048 0.000 1.783 163 C HN 0.563 nan 8.230 nan 0.000 0.455 164 R N 0.837 121.354 120.500 0.028 0.000 2.299 164 R HA 0.021 4.362 4.340 0.000 0.000 0.197 164 R C 1.109 177.425 176.300 0.027 0.000 0.971 164 R CA 0.610 56.722 56.100 0.020 0.000 1.030 164 R CB 0.217 30.518 30.300 0.003 0.000 0.932 164 R HN 0.593 nan 8.270 nan 0.000 0.477 165 K N 0.884 121.297 120.400 0.023 0.000 2.455 165 K HA 0.275 4.595 4.320 0.000 0.000 0.206 165 K C -0.059 176.550 176.600 0.015 0.000 1.027 165 K CA -0.215 56.083 56.287 0.018 0.000 1.113 165 K CB 0.645 33.153 32.500 0.012 0.000 0.850 165 K HN 0.035 nan 8.250 nan 0.000 0.503 166 I N 2.240 122.822 120.570 0.020 0.000 2.919 166 I HA -0.208 3.962 4.170 0.000 0.000 0.299 166 I C 1.174 177.300 176.117 0.014 0.000 1.221 166 I CA 0.904 62.214 61.300 0.015 0.000 1.424 166 I CB 0.350 38.365 38.000 0.026 0.000 1.358 166 I HN 0.179 nan 8.210 nan 0.000 0.551 167 K N 3.022 123.424 120.400 0.003 0.000 2.168 167 K HA 0.013 4.333 4.320 0.000 0.000 0.201 167 K C 0.789 177.389 176.600 -0.000 0.000 1.049 167 K CA 0.758 57.045 56.287 0.001 0.000 0.974 167 K CB 0.236 32.732 32.500 -0.008 0.000 0.792 167 K HN 0.725 nan 8.250 nan 0.000 0.463 168 T N 0.493 115.040 114.554 -0.011 0.000 2.879 168 T HA 0.488 4.838 4.350 0.000 0.000 0.290 168 T C -1.683 173.004 174.700 -0.022 0.000 0.993 168 T CA -0.858 61.231 62.100 -0.018 0.000 0.975 168 T CB 1.106 69.952 68.868 -0.037 0.000 0.981 168 T HN -0.023 nan 8.240 nan 0.000 0.439 169 L N 5.781 127.006 121.223 0.003 0.000 2.376 169 L HA 0.856 5.196 4.340 0.000 0.000 0.275 169 L C -1.803 175.083 176.870 0.027 0.000 0.987 169 L CA -0.710 54.137 54.840 0.012 0.000 0.828 169 L CB 1.585 43.682 42.059 0.063 0.000 1.249 169 L HN 0.846 nan 8.230 nan 0.000 0.409 170 L N 5.258 126.472 121.223 -0.015 0.000 2.408 170 L HA 0.582 4.922 4.340 0.000 0.000 0.268 170 L C -0.539 176.355 176.870 0.039 0.000 0.986 170 L CA -0.307 54.538 54.840 0.008 0.000 0.820 170 L CB 2.172 44.190 42.059 -0.069 0.000 1.303 170 L HN 0.893 nan 8.230 nan 0.000 0.411 171 M N 2.373 122.061 119.600 0.147 0.000 2.268 171 M HA 0.221 4.701 4.480 0.000 0.000 0.355 171 M C 0.070 176.525 176.300 0.258 0.000 0.938 171 M CA -0.156 55.277 55.300 0.223 0.000 1.025 171 M CB 0.749 33.547 32.600 0.330 0.000 1.773 171 M HN 0.584 nan 8.290 nan 0.000 0.613 172 E N 2.794 123.109 120.200 0.193 0.000 2.966 172 E HA -0.231 4.119 4.350 0.000 0.000 0.254 172 E C 0.278 176.952 176.600 0.124 0.000 0.923 172 E CA 0.973 57.477 56.400 0.172 0.000 0.960 172 E CB 0.180 29.963 29.700 0.139 0.000 0.901 172 E HN 0.409 nan 8.360 nan 0.000 0.525 173 E N 1.640 121.889 120.200 0.081 0.000 3.801 173 E HA -0.222 4.128 4.350 0.000 0.000 0.319 173 E C -0.818 175.788 176.600 0.009 0.000 0.784 173 E CA 0.735 57.132 56.400 -0.004 0.000 1.183 173 E CB -0.893 28.793 29.700 -0.023 0.000 1.601 173 E HN 0.459 nan 8.360 nan 0.000 0.441 174 S N 0.067 115.835 115.700 0.113 0.000 2.585 174 S HA 0.353 4.823 4.470 0.000 0.000 0.273 174 S C -0.188 174.367 174.600 -0.076 0.000 1.339 174 S CA 0.062 58.355 58.200 0.155 0.000 1.028 174 S CB 1.418 64.891 63.200 0.454 0.000 0.906 174 S HN 0.394 nan 8.310 nan 0.000 0.528 175 S N 2.271 117.846 115.700 -0.209 0.000 2.502 175 S HA 0.847 5.317 4.470 0.000 0.000 0.304 175 S C -0.692 173.510 174.600 -0.663 0.000 1.097 175 S CA -0.840 57.015 58.200 -0.575 0.000 1.045 175 S CB 0.473 63.441 63.200 -0.387 0.000 1.019 175 S HN 0.626 nan 8.310 nan 0.000 0.481 176 F N -0.948 118.651 119.950 -0.584 0.000 2.754 176 F HA 0.801 5.328 4.527 0.000 0.000 0.320 176 F C -0.503 175.031 175.800 -0.442 0.000 1.156 176 F CA -1.272 56.284 58.000 -0.740 0.000 0.950 176 F CB 0.963 39.283 39.000 -1.133 0.000 1.388 176 F HN 0.415 nan 8.300 nan 0.000 0.485 177 S N 0.376 116.072 115.700 -0.007 0.000 2.438 177 S HA 0.232 4.703 4.470 0.000 0.000 0.293 177 S C -0.740 173.942 174.600 0.136 0.000 1.141 177 S CA -0.561 57.643 58.200 0.007 0.000 1.080 177 S CB 0.693 63.883 63.200 -0.017 0.000 0.978 177 S HN 0.600 nan 8.310 nan 0.000 0.479 178 E N 3.080 123.354 120.200 0.124 0.000 2.046 178 E HA 0.201 4.551 4.350 0.000 0.000 0.279 178 E C 0.209 176.880 176.600 0.118 0.000 0.989 178 E CA -0.209 56.293 56.400 0.171 0.000 0.798 178 E CB 0.380 30.197 29.700 0.195 0.000 1.086 178 E HN 0.509 nan 8.360 nan 0.000 0.399 179 K N 2.843 123.315 120.400 0.121 0.000 2.334 179 K HA 0.068 4.388 4.320 0.000 0.000 0.195 179 K C -0.296 176.366 176.600 0.103 0.000 1.045 179 K CA 0.642 56.984 56.287 0.091 0.000 1.004 179 K CB 0.350 32.896 32.500 0.076 0.000 0.837 179 K HN 0.575 nan 8.250 nan 0.000 0.510 180 D N -3.029 117.462 120.400 0.152 0.000 2.992 180 D HA 0.094 4.734 4.640 0.000 0.000 0.349 180 D C 0.171 176.592 176.300 0.201 0.000 1.393 180 D CA -0.653 53.432 54.000 0.141 0.000 0.887 180 D CB 0.101 40.959 40.800 0.096 0.000 1.447 180 D HN -0.138 nan 8.370 nan 0.000 0.524 181 G N -1.399 107.458 108.800 0.096 0.000 3.228 181 G HA2 0.066 4.026 3.960 0.000 0.000 0.245 181 G HA3 0.066 4.026 3.960 0.000 0.000 0.245 181 G C 0.697 175.518 174.900 -0.132 0.000 1.051 181 G CA -0.081 45.002 45.100 -0.028 0.000 0.809 181 G HN 0.430 nan 8.290 nan 0.000 0.531 182 K N 0.794 121.200 120.400 0.010 0.000 2.152 182 K HA -0.158 4.162 4.320 0.000 0.000 0.206 182 K C 2.226 178.849 176.600 0.039 0.000 1.048 182 K CA 1.334 57.626 56.287 0.008 0.000 0.933 182 K CB -0.459 32.059 32.500 0.030 0.000 0.721 182 K HN 0.586 nan 8.250 nan 0.000 0.447 183 W N 2.240 123.541 121.300 0.002 0.000 2.317 183 W HA -0.218 4.442 4.660 0.000 0.000 0.318 183 W C 1.542 178.048 176.519 -0.021 0.000 1.227 183 W CA 0.715 58.051 57.345 -0.016 0.000 1.269 183 W CB -1.161 28.268 29.460 -0.051 0.000 1.155 183 W HN 0.025 nan 8.180 nan 0.000 0.484 184 L N 0.533 121.003 121.223 -1.255 0.000 2.046 184 L HA -0.274 4.066 4.340 0.000 0.000 0.208 184 L C 3.017 179.653 176.870 -0.390 0.000 1.077 184 L CA 2.547 56.741 54.840 -1.077 0.000 0.747 184 L CB -0.867 40.432 42.059 -1.267 0.000 0.896 184 L HN 0.124 nan 8.230 nan 0.000 0.432 185 H N -0.626 118.240 119.070 -0.340 0.000 2.389 185 H HA -0.233 4.323 4.556 -0.000 0.000 0.299 185 H C 2.106 177.385 175.328 -0.081 0.000 1.081 185 H CA 1.750 57.695 56.048 -0.172 0.000 1.345 185 H CB 0.292 29.977 29.762 -0.129 0.000 1.393 185 H HN 0.275 nan 8.280 nan 0.000 0.520 186 E N 0.207 120.473 120.200 0.110 0.000 2.204 186 E HA -0.106 4.244 4.350 0.000 0.000 0.194 186 E C 2.010 178.667 176.600 0.095 0.000 0.989 186 E CA 0.813 57.298 56.400 0.142 0.000 0.824 186 E CB -0.266 29.514 29.700 0.133 0.000 0.756 186 E HN 0.587 nan 8.360 nan 0.000 0.477 187 L N -0.367 120.869 121.223 0.022 0.000 2.023 187 L HA -0.056 4.284 4.340 0.000 0.000 0.205 187 L C 2.463 179.315 176.870 -0.030 0.000 1.073 187 L CA 1.001 55.853 54.840 0.021 0.000 0.745 187 L CB -0.638 41.429 42.059 0.013 0.000 0.900 187 L HN 0.274 nan 8.230 nan 0.000 0.435 188 A N -0.538 122.211 122.820 -0.118 0.000 1.884 188 A HA -0.327 3.993 4.320 0.000 0.000 0.219 188 A C 2.134 179.601 177.584 -0.195 0.000 1.197 188 A CA 2.056 53.989 52.037 -0.174 0.000 0.637 188 A CB -0.684 18.147 19.000 -0.281 0.000 0.827 188 A HN 0.520 nan 8.150 nan 0.000 0.450 189 Q N -2.394 117.262 119.800 -0.240 0.000 2.297 189 Q HA -0.108 4.232 4.340 0.000 0.000 0.204 189 Q C 1.101 176.836 176.000 -0.441 0.000 0.962 189 Q CA 1.242 56.851 55.803 -0.324 0.000 0.879 189 Q CB 0.027 28.597 28.738 -0.280 0.000 0.947 189 Q HN 0.872 nan 8.270 nan 0.000 0.462 190 H N -2.616 116.422 119.070 -0.053 0.000 3.771 190 H HA 0.159 4.714 4.556 -0.000 0.000 0.260 190 H C -0.262 175.054 175.328 -0.021 0.000 1.158 190 H CA -0.181 55.849 56.048 -0.030 0.000 1.170 190 H CB 0.622 30.373 29.762 -0.018 0.000 1.539 190 H HN 0.093 nan 8.280 nan 0.000 0.634 191 N N 0.361 119.107 118.700 0.077 0.000 2.498 191 N HA 0.113 4.853 4.740 0.000 0.000 0.287 191 N C 0.531 176.054 175.510 0.021 0.000 1.097 191 N CA 0.284 53.365 53.050 0.051 0.000 0.973 191 N CB 1.740 40.257 38.487 0.051 0.000 1.153 191 N HN -0.118 nan 8.380 nan 0.000 0.472 192 T N -0.585 113.981 114.554 0.020 0.000 3.048 192 T HA 0.028 4.378 4.350 0.000 0.000 0.254 192 T C 1.317 176.022 174.700 0.008 0.000 0.942 192 T CA 0.189 62.293 62.100 0.007 0.000 0.931 192 T CB -0.042 68.830 68.868 0.006 0.000 1.220 192 T HN 0.614 nan 8.240 nan 0.000 0.503 193 S N 1.362 117.070 115.700 0.013 0.000 2.496 193 S HA 0.193 4.663 4.470 0.000 0.000 0.224 193 S C 0.720 175.328 174.600 0.012 0.000 0.996 193 S CA -0.225 57.981 58.200 0.010 0.000 0.927 193 S CB -0.421 62.785 63.200 0.011 0.000 0.774 193 S HN 0.216 nan 8.310 nan 0.000 0.524 194 L N 2.769 124.004 121.223 0.020 0.000 2.706 194 L HA -0.007 4.333 4.340 0.000 0.000 0.282 194 L C 1.107 177.989 176.870 0.020 0.000 1.219 194 L CA 0.900 55.757 54.840 0.027 0.000 0.935 194 L CB -0.161 41.924 42.059 0.043 0.000 1.204 194 L HN 0.262 nan 8.230 nan 0.000 0.491 195 E N 2.306 122.514 120.200 0.014 0.000 2.332 195 E HA 0.177 4.527 4.350 0.000 0.000 0.202 195 E C -0.655 175.949 176.600 0.008 0.000 0.877 195 E CA 0.165 56.569 56.400 0.007 0.000 0.979 195 E CB 1.076 30.774 29.700 -0.004 0.000 0.969 195 E HN 0.399 nan 8.360 nan 0.000 0.495 196 V N 1.487 121.404 119.914 0.004 0.000 2.686 196 V HA 0.525 4.645 4.120 0.000 0.000 0.306 196 V C -2.046 174.052 176.094 0.006 0.000 1.065 196 V CA -0.893 61.405 62.300 -0.003 0.000 0.894 196 V CB 1.824 33.632 31.823 -0.026 0.000 1.004 196 V HN 0.042 nan 8.190 nan 0.000 0.424 197 L N 5.786 127.011 121.223 0.004 0.000 2.385 197 L HA 0.787 5.128 4.340 0.000 0.000 0.273 197 L C -1.044 175.788 176.870 -0.064 0.000 0.990 197 L CA -0.018 54.840 54.840 0.030 0.000 0.821 197 L CB 1.901 44.007 42.059 0.079 0.000 1.279 197 L HN 0.871 nan 8.230 nan 0.000 0.412 198 N N 4.440 123.132 118.700 -0.013 0.000 2.571 198 N HA 0.358 5.098 4.740 0.000 0.000 0.286 198 N C -1.647 173.914 175.510 0.085 0.000 1.138 198 N CA -0.459 52.538 53.050 -0.088 0.000 0.859 198 N CB 0.649 39.105 38.487 -0.053 0.000 1.414 198 N HN 0.435 nan 8.380 nan 0.000 0.529 199 F N 2.756 122.788 119.950 0.138 0.000 2.530 199 F HA 0.395 4.922 4.527 -0.000 0.000 0.318 199 F C 0.475 176.420 175.800 0.242 0.000 1.356 199 F CA -0.973 57.171 58.000 0.240 0.000 1.135 199 F CB -0.158 39.065 39.000 0.373 0.000 1.315 199 F HN 0.260 nan 8.300 nan 0.000 0.549 200 Y N 1.697 122.021 120.300 0.040 0.000 2.263 200 Y HA 0.173 4.723 4.550 0.000 0.000 0.292 200 Y C 0.905 176.783 175.900 -0.036 0.000 1.130 200 Y CA 1.210 59.270 58.100 -0.065 0.000 1.179 200 Y CB 0.210 38.612 38.460 -0.097 0.000 0.998 200 Y HN 0.431 nan 8.280 nan 0.000 0.532 201 M N 1.513 121.054 119.600 -0.098 0.000 2.999 201 M HA 0.228 4.708 4.480 0.000 0.000 0.206 201 M C -0.861 175.368 176.300 -0.118 0.000 1.111 201 M CA -0.043 55.092 55.300 -0.275 0.000 0.946 201 M CB 0.330 32.753 32.600 -0.295 0.000 1.330 201 M HN 0.161 nan 8.290 nan 0.000 0.533 202 T N -2.242 112.306 114.554 -0.009 0.000 2.916 202 T HA 0.516 4.866 4.350 0.000 0.000 0.298 202 T C -0.665 174.008 174.700 -0.046 0.000 1.031 202 T CA -1.024 61.073 62.100 -0.004 0.000 0.993 202 T CB 1.553 70.610 68.868 0.314 0.000 1.045 202 T HN 0.280 nan 8.240 nan 0.000 0.454 203 E N 2.962 123.000 120.200 -0.271 0.000 1.865 203 E HA 0.271 4.621 4.350 0.000 0.000 0.269 203 E C -1.208 175.243 176.600 -0.249 0.000 1.177 203 E CA -0.198 56.071 56.400 -0.218 0.000 0.932 203 E CB -0.099 29.439 29.700 -0.271 0.000 1.066 203 E HN 0.557 nan 8.360 nan 0.000 0.405 204 F N 0.750 120.707 119.950 0.012 0.000 2.444 204 F HA 0.410 4.938 4.527 0.000 0.000 0.342 204 F C 0.839 176.606 175.800 -0.054 0.000 1.121 204 F CA -0.701 57.312 58.000 0.022 0.000 0.997 204 F CB 1.959 40.928 39.000 -0.051 0.000 1.130 204 F HN 0.456 nan 8.300 nan 0.000 0.454 205 A N 2.920 125.840 122.820 0.167 0.000 2.508 205 A HA 0.282 4.602 4.320 0.000 0.000 0.250 205 A C 0.881 178.525 177.584 0.101 0.000 1.208 205 A CA -0.146 51.944 52.037 0.089 0.000 0.960 205 A CB 0.031 19.062 19.000 0.051 0.000 1.099 205 A HN 0.712 nan 8.150 nan 0.000 0.542 206 K N 0.642 121.127 120.400 0.143 0.000 2.501 206 K HA 0.313 4.633 4.320 0.000 0.000 0.204 206 K C -0.188 176.455 176.600 0.072 0.000 1.067 206 K CA -0.031 56.322 56.287 0.110 0.000 1.060 206 K CB 0.520 33.095 32.500 0.126 0.000 0.873 206 K HN 0.673 nan 8.250 nan 0.000 0.540 207 I N -1.894 118.703 120.570 0.045 0.000 2.460 207 I HA 0.384 4.554 4.170 0.000 0.000 0.298 207 I C -0.134 176.067 176.117 0.139 0.000 0.989 207 I CA -0.773 60.502 61.300 -0.041 0.000 1.173 207 I CB 1.909 39.747 38.000 -0.270 0.000 1.338 207 I HN -0.215 nan 8.210 nan 0.000 0.456 208 S N 6.208 121.958 115.700 0.083 0.000 2.452 208 S HA 0.412 4.882 4.470 0.000 0.000 0.284 208 S C -1.185 173.436 174.600 0.034 0.000 1.171 208 S CA -1.590 56.668 58.200 0.098 0.000 1.064 208 S CB 0.861 64.083 63.200 0.037 0.000 0.967 208 S HN 0.638 nan 8.310 nan 0.000 0.484 209 P HA -0.160 nan 4.420 nan 0.000 0.219 209 P C 1.022 178.163 177.300 -0.265 0.000 1.146 209 P CA 1.030 63.788 63.100 -0.571 0.000 0.808 209 P CB 0.128 31.391 31.700 -0.728 0.000 0.779 210 K N 0.339 120.657 120.400 -0.136 0.000 2.020 210 K HA -0.175 4.145 4.320 0.000 0.000 0.212 210 K C 1.769 178.318 176.600 -0.084 0.000 1.050 210 K CA 1.406 57.643 56.287 -0.085 0.000 0.929 210 K CB -1.147 31.327 32.500 -0.044 0.000 0.714 210 K HN 0.208 nan 8.250 nan 0.000 0.443 211 D N 1.056 121.404 120.400 -0.086 0.000 2.123 211 D HA -0.163 4.477 4.640 0.000 0.000 0.196 211 D C 1.971 178.213 176.300 -0.096 0.000 0.992 211 D CA 0.754 54.681 54.000 -0.122 0.000 0.833 211 D CB -0.184 40.531 40.800 -0.142 0.000 0.954 211 D HN 0.013 nan 8.370 nan 0.000 0.455 212 L N 1.406 122.579 121.223 -0.083 0.000 2.046 212 L HA -0.148 4.192 4.340 0.000 0.000 0.208 212 L C 2.148 179.085 176.870 0.112 0.000 1.077 212 L CA 1.781 56.599 54.840 -0.036 0.000 0.747 212 L CB -0.611 41.344 42.059 -0.173 0.000 0.896 212 L HN 0.020 nan 8.230 nan 0.000 0.432 213 E N -1.389 118.853 120.200 0.070 0.000 2.047 213 E HA -0.260 4.090 4.350 0.000 0.000 0.191 213 E C 2.069 178.689 176.600 0.033 0.000 0.987 213 E CA 1.617 58.092 56.400 0.125 0.000 0.799 213 E CB -0.264 29.453 29.700 0.029 0.000 0.752 213 E HN 0.556 nan 8.360 nan 0.000 0.449 214 T N -0.166 114.372 114.554 -0.026 0.000 2.929 214 T HA -0.109 4.241 4.350 0.000 0.000 0.271 214 T C 1.896 176.566 174.700 -0.049 0.000 1.085 214 T CA 1.176 63.241 62.100 -0.059 0.000 1.125 214 T CB -0.309 68.496 68.868 -0.106 0.000 0.874 214 T HN 0.233 nan 8.240 nan 0.000 0.494 215 I N 1.035 121.594 120.570 -0.018 0.000 2.286 215 I HA -0.009 4.161 4.170 0.000 0.000 0.245 215 I C 3.103 179.232 176.117 0.021 0.000 1.104 215 I CA 1.042 62.344 61.300 0.004 0.000 1.397 215 I CB -0.620 37.403 38.000 0.039 0.000 1.072 215 I HN 0.351 nan 8.210 nan 0.000 0.417 216 A N 0.669 123.522 122.820 0.054 0.000 1.978 216 A HA -0.254 4.066 4.320 0.000 0.000 0.220 216 A C 2.353 179.891 177.584 -0.076 0.000 1.170 216 A CA 1.751 53.769 52.037 -0.032 0.000 0.636 216 A CB -0.580 18.308 19.000 -0.186 0.000 0.810 216 A HN 0.300 nan 8.150 nan 0.000 0.448 217 R N -0.470 119.994 120.500 -0.060 0.000 2.092 217 R HA -0.065 4.275 4.340 0.000 0.000 0.231 217 R C 1.435 177.703 176.300 -0.054 0.000 1.119 217 R CA 1.663 57.724 56.100 -0.065 0.000 0.970 217 R CB -0.131 30.133 30.300 -0.060 0.000 0.864 217 R HN 0.508 nan 8.270 nan 0.000 0.440 218 N N -1.230 117.443 118.700 -0.045 0.000 2.415 218 N HA 0.022 4.762 4.740 0.000 0.000 0.176 218 N C -0.577 174.917 175.510 -0.027 0.000 1.042 218 N CA 0.464 53.490 53.050 -0.039 0.000 0.902 218 N CB 0.432 38.893 38.487 -0.045 0.000 0.986 218 N HN 0.102 nan 8.380 nan 0.000 0.447 219 C N 1.648 120.935 119.300 -0.021 0.000 2.184 219 C HA 0.379 4.839 4.460 0.000 0.000 0.328 219 C C 1.563 176.542 174.990 -0.019 0.000 1.081 219 C CA -0.878 58.133 59.018 -0.011 0.000 1.533 219 C CB 0.041 27.785 27.740 0.007 0.000 1.905 219 C HN 0.195 nan 8.230 nan 0.000 0.439 220 R N 1.116 121.604 120.500 -0.021 0.000 2.152 220 R HA -0.047 4.294 4.340 0.000 0.000 0.232 220 R C 1.708 177.995 176.300 -0.022 0.000 1.117 220 R CA 1.025 57.109 56.100 -0.026 0.000 0.981 220 R CB -0.182 30.104 30.300 -0.024 0.000 0.870 220 R HN 0.592 nan 8.270 nan 0.000 0.451 221 S N 0.043 115.735 115.700 -0.014 0.000 2.583 221 S HA 0.182 4.652 4.470 0.000 0.000 0.239 221 S C -0.279 174.318 174.600 -0.005 0.000 0.966 221 S CA -0.525 57.668 58.200 -0.011 0.000 0.973 221 S CB 0.066 63.261 63.200 -0.009 0.000 0.794 221 S HN 0.040 nan 8.310 nan 0.000 0.463 222 L N 2.525 123.746 121.223 -0.004 0.000 2.456 222 L HA 0.219 4.559 4.340 0.000 0.000 0.277 222 L C 0.734 177.612 176.870 0.013 0.000 1.124 222 L CA 0.569 55.416 54.840 0.012 0.000 0.880 222 L CB 0.358 42.429 42.059 0.020 0.000 1.192 222 L HN 0.030 nan 8.230 nan 0.000 0.463 223 V N 2.450 122.375 119.914 0.018 0.000 2.908 223 V HA 0.246 4.366 4.120 0.000 0.000 0.240 223 V C 0.746 176.860 176.094 0.033 0.000 1.117 223 V CA 0.734 63.044 62.300 0.017 0.000 1.133 223 V CB 0.543 32.367 31.823 0.001 0.000 0.857 223 V HN 0.755 nan 8.190 nan 0.000 0.478 224 S N 0.157 115.872 115.700 0.024 0.000 2.521 224 S HA 0.682 5.152 4.470 0.000 0.000 0.295 224 S C -1.291 173.311 174.600 0.005 0.000 1.098 224 S CA -0.373 57.834 58.200 0.011 0.000 0.999 224 S CB 1.729 64.908 63.200 -0.036 0.000 1.034 224 S HN 0.420 nan 8.310 nan 0.000 0.483 225 V N 5.080 124.993 119.914 -0.002 0.000 2.668 225 V HA 0.709 4.829 4.120 0.000 0.000 0.304 225 V C -1.563 174.297 176.094 -0.391 0.000 1.071 225 V CA -0.595 61.635 62.300 -0.116 0.000 0.894 225 V CB 1.566 33.406 31.823 0.029 0.000 1.008 225 V HN 0.945 nan 8.190 nan 0.000 0.425 226 K N 4.554 124.656 120.400 -0.496 0.000 2.267 226 K HA 0.925 5.245 4.320 0.000 0.000 0.246 226 K C -1.344 174.855 176.600 -0.667 0.000 0.954 226 K CA -0.845 55.055 56.287 -0.645 0.000 0.824 226 K CB 2.697 34.860 32.500 -0.561 0.000 1.167 226 K HN 0.571 nan 8.250 nan 0.000 0.431 227 V N 0.120 119.749 119.914 -0.474 0.000 3.226 227 V HA 0.441 4.561 4.120 0.000 0.000 0.304 227 V C 0.131 176.240 176.094 0.025 0.000 1.336 227 V CA -0.627 61.400 62.300 -0.455 0.000 1.066 227 V CB 2.327 33.949 31.823 -0.335 0.000 1.087 227 V HN 0.999 nan 8.190 nan 0.000 0.451 228 G N -0.446 108.484 108.800 0.218 0.000 2.546 228 G HA2 0.213 4.173 3.960 0.000 0.000 0.239 228 G HA3 0.213 4.173 3.960 0.000 0.000 0.239 228 G C -0.236 174.730 174.900 0.111 0.000 1.476 228 G CA -0.066 45.142 45.100 0.180 0.000 1.064 228 G HN 0.660 nan 8.290 nan 0.000 0.561 229 D N 0.351 120.798 120.400 0.079 0.000 2.856 229 D HA 0.174 4.814 4.640 0.000 0.000 0.242 229 D C 0.009 176.419 176.300 0.184 0.000 1.226 229 D CA -0.007 54.087 54.000 0.157 0.000 0.855 229 D CB -0.519 40.368 40.800 0.145 0.000 1.065 229 D HN 0.119 nan 8.370 nan 0.000 0.462 230 F N 1.079 121.150 119.950 0.201 0.000 2.553 230 F HA -0.042 4.485 4.527 0.000 0.000 0.356 230 F C 1.597 177.504 175.800 0.178 0.000 1.142 230 F CA -0.192 57.909 58.000 0.167 0.000 1.322 230 F CB 0.782 39.869 39.000 0.144 0.000 1.126 230 F HN -0.170 nan 8.300 nan 0.000 0.599 231 E N 3.482 123.924 120.200 0.404 0.000 2.257 231 E HA 0.027 4.377 4.350 0.000 0.000 0.278 231 E C 0.906 177.669 176.600 0.271 0.000 1.049 231 E CA -0.015 56.561 56.400 0.293 0.000 0.876 231 E CB 0.819 30.651 29.700 0.221 0.000 1.035 231 E HN 0.521 nan 8.360 nan 0.000 0.419 232 I N 4.805 125.559 120.570 0.308 0.000 2.145 232 I HA -0.363 3.807 4.170 0.000 0.000 0.244 232 I C 2.206 178.485 176.117 0.270 0.000 1.075 232 I CA 1.240 62.719 61.300 0.297 0.000 1.332 232 I CB -0.257 37.889 38.000 0.242 0.000 1.033 232 I HN 0.633 nan 8.210 nan 0.000 0.410 233 L N -0.252 121.155 121.223 0.307 0.000 2.129 233 L HA -0.275 4.065 4.340 0.000 0.000 0.212 233 L C 2.216 179.140 176.870 0.090 0.000 1.087 233 L CA 1.440 56.389 54.840 0.180 0.000 0.757 233 L CB -0.578 41.540 42.059 0.098 0.000 0.896 233 L HN 0.363 nan 8.230 nan 0.000 0.434 234 E N -0.388 119.850 120.200 0.063 0.000 2.478 234 E HA -0.107 4.243 4.350 0.000 0.000 0.198 234 E C 1.613 178.153 176.600 -0.100 0.000 1.046 234 E CA 0.419 56.802 56.400 -0.028 0.000 0.870 234 E CB 0.151 29.817 29.700 -0.056 0.000 0.818 234 E HN 0.534 nan 8.360 nan 0.000 0.527 235 L N 0.176 121.367 121.223 -0.052 0.000 2.728 235 L HA 0.059 4.399 4.340 0.000 0.000 0.238 235 L C 1.595 178.491 176.870 0.043 0.000 1.143 235 L CA -0.203 54.560 54.840 -0.127 0.000 0.937 235 L CB 0.609 42.496 42.059 -0.286 0.000 1.225 235 L HN 0.004 nan 8.230 nan 0.000 0.507 236 V N 0.013 119.996 119.914 0.115 0.000 2.427 236 V HA -0.150 3.970 4.120 0.000 0.000 0.248 236 V C 2.608 178.755 176.094 0.088 0.000 1.051 236 V CA 1.960 64.357 62.300 0.163 0.000 1.048 236 V CB -1.071 30.793 31.823 0.068 0.000 0.666 236 V HN 0.579 nan 8.190 nan 0.000 0.456 237 G N -0.032 108.787 108.800 0.032 0.000 2.514 237 G HA2 -0.364 3.596 3.960 0.000 0.000 0.217 237 G HA3 -0.364 3.596 3.960 0.000 0.000 0.217 237 G C 1.499 176.397 174.900 -0.003 0.000 1.198 237 G CA 1.304 46.406 45.100 0.002 0.000 0.780 237 G HN 0.464 nan 8.290 nan 0.000 0.565 238 F N 1.111 120.960 119.950 -0.167 0.000 2.032 238 F HA -0.182 4.345 4.527 -0.000 0.000 0.297 238 F C 2.485 178.182 175.800 -0.172 0.000 1.125 238 F CA 2.145 60.006 58.000 -0.231 0.000 1.202 238 F CB -0.695 38.064 39.000 -0.401 0.000 0.958 238 F HN 0.144 nan 8.300 nan 0.000 0.491 239 F N 0.566 120.428 119.950 -0.148 0.000 2.120 239 F HA -0.239 4.288 4.527 0.000 0.000 0.300 239 F C 2.463 178.095 175.800 -0.280 0.000 1.095 239 F CA 1.777 59.609 58.000 -0.280 0.000 1.249 239 F CB -0.577 38.342 39.000 -0.136 0.000 0.995 239 F HN -0.048 nan 8.300 nan 0.000 0.480 240 K N 0.082 120.476 120.400 -0.010 0.000 2.032 240 K HA -0.173 4.147 4.320 0.000 0.000 0.209 240 K C 2.297 178.827 176.600 -0.117 0.000 1.048 240 K CA 1.285 57.535 56.287 -0.061 0.000 0.927 240 K CB -0.458 32.014 32.500 -0.047 0.000 0.712 240 K HN 0.246 nan 8.250 nan 0.000 0.441 241 A N 1.232 123.950 122.820 -0.169 0.000 1.969 241 A HA 0.025 4.345 4.320 0.000 0.000 0.218 241 A C 1.665 179.109 177.584 -0.233 0.000 1.169 241 A CA 1.233 53.163 52.037 -0.179 0.000 0.635 241 A CB -0.250 18.654 19.000 -0.161 0.000 0.810 241 A HN 0.283 nan 8.150 nan 0.000 0.445 242 A N 0.061 122.650 122.820 -0.386 0.000 3.051 242 A HA 0.557 4.877 4.320 0.000 0.000 0.257 242 A C 1.620 179.092 177.584 -0.187 0.000 1.785 242 A CA 0.687 52.500 52.037 -0.373 0.000 1.420 242 A CB -1.100 17.464 19.000 -0.726 0.000 1.063 242 A HN 0.913 nan 8.150 nan 0.000 0.630 243 A N 1.412 124.154 122.820 -0.130 0.000 1.896 243 A HA -0.231 4.089 4.320 0.000 0.000 0.220 243 A C 1.700 179.246 177.584 -0.064 0.000 1.206 243 A CA 2.049 54.035 52.037 -0.086 0.000 0.647 243 A CB -0.400 18.557 19.000 -0.070 0.000 0.828 243 A HN 0.603 nan 8.150 nan 0.000 0.455 244 N N -0.625 118.042 118.700 -0.055 0.000 2.383 244 N HA 0.133 4.873 4.740 0.000 0.000 0.192 244 N C -0.141 175.358 175.510 -0.018 0.000 1.141 244 N CA -0.140 52.890 53.050 -0.034 0.000 0.851 244 N CB -0.328 38.142 38.487 -0.028 0.000 0.976 244 N HN 0.383 nan 8.380 nan 0.000 0.465 245 L N 1.383 122.597 121.223 -0.015 0.000 2.559 245 L HA -0.036 4.304 4.340 0.000 0.000 0.274 245 L C 1.140 178.033 176.870 0.039 0.000 1.205 245 L CA 0.923 55.783 54.840 0.034 0.000 0.907 245 L CB 0.475 42.580 42.059 0.077 0.000 1.153 245 L HN 0.149 nan 8.230 nan 0.000 0.490 246 E N 2.273 122.501 120.200 0.047 0.000 2.453 246 E HA 0.129 4.479 4.350 0.000 0.000 0.211 246 E C -0.250 176.381 176.600 0.051 0.000 0.897 246 E CA 0.032 56.451 56.400 0.033 0.000 1.063 246 E CB 0.812 30.520 29.700 0.013 0.000 1.080 246 E HN 0.644 nan 8.360 nan 0.000 0.512 247 E N 0.497 120.743 120.200 0.075 0.000 2.256 247 E HA 0.409 4.759 4.350 0.000 0.000 0.268 247 E C -1.858 174.844 176.600 0.171 0.000 0.877 247 E CA -0.601 55.840 56.400 0.069 0.000 0.757 247 E CB 1.542 31.236 29.700 -0.010 0.000 1.183 247 E HN -0.061 nan 8.360 nan 0.000 0.418 248 F N 4.634 124.596 119.950 0.020 0.000 2.573 248 F HA 0.549 5.076 4.527 -0.000 0.000 0.316 248 F C -1.627 174.159 175.800 -0.024 0.000 1.148 248 F CA -0.472 57.566 58.000 0.063 0.000 0.940 248 F CB 1.002 40.165 39.000 0.272 0.000 1.214 248 F HN 0.567 nan 8.300 nan 0.000 0.448 249 C N 3.889 122.777 119.300 -0.687 0.000 2.707 249 C HA 1.023 5.483 4.460 0.000 0.000 0.313 249 C C 0.505 175.089 174.990 -0.677 0.000 1.209 249 C CA 0.076 58.780 59.018 -0.524 0.000 1.635 249 C CB 0.804 27.996 27.740 -0.913 0.000 2.206 249 C HN 1.369 nan 8.230 nan 0.000 0.485 250 G N 0.890 109.710 108.800 0.033 0.000 2.378 250 G HA2 0.511 4.471 3.960 0.000 0.000 0.198 250 G HA3 0.511 4.471 3.960 0.000 0.000 0.198 250 G C 0.050 175.169 174.900 0.366 0.000 1.223 250 G CA 0.146 45.367 45.100 0.203 0.000 1.088 250 G HN 2.684 nan 8.290 nan 0.000 0.530 251 G N -1.556 107.459 108.800 0.358 0.000 2.796 251 G HA2 0.385 4.345 3.960 0.000 0.000 0.226 251 G HA3 0.385 4.345 3.960 0.000 0.000 0.226 251 G C 0.183 175.304 174.900 0.369 0.000 1.381 251 G CA 1.071 46.447 45.100 0.460 0.000 0.867 251 G HN 2.360 nan 8.290 nan 0.000 0.552 252 S N -0.901 115.019 115.700 0.368 0.000 2.736 252 S HA 0.599 5.069 4.470 0.000 0.000 0.285 252 S C -0.309 174.454 174.600 0.272 0.000 1.163 252 S CA -0.627 57.801 58.200 0.380 0.000 1.025 252 S CB 0.616 64.018 63.200 0.337 0.000 1.030 252 S HN 0.851 nan 8.310 nan 0.000 0.486 253 L N 5.398 126.750 121.223 0.216 0.000 2.268 253 L HA 0.485 4.825 4.340 0.000 0.000 0.289 253 L C -0.228 176.752 176.870 0.183 0.000 1.064 253 L CA -0.493 54.369 54.840 0.036 0.000 0.824 253 L CB 0.528 42.505 42.059 -0.137 0.000 1.202 253 L HN 0.568 nan 8.230 nan 0.000 0.433 254 N N 4.062 122.946 118.700 0.307 0.000 2.476 254 N HA 0.180 4.920 4.740 0.000 0.000 0.257 254 N C -0.656 175.016 175.510 0.271 0.000 0.970 254 N CA -0.508 52.675 53.050 0.222 0.000 0.938 254 N CB 1.769 40.348 38.487 0.153 0.000 1.144 254 N HN 0.586 nan 8.380 nan 0.000 0.500 255 E N 0.899 121.222 120.200 0.205 0.000 2.227 255 E HA 0.224 4.574 4.350 0.000 0.000 0.282 255 E C -0.789 175.859 176.600 0.080 0.000 1.015 255 E CA -0.819 55.681 56.400 0.168 0.000 0.823 255 E CB 1.066 30.861 29.700 0.160 0.000 1.081 255 E HN 0.410 nan 8.360 nan 0.000 0.396 256 D N 3.836 124.260 120.400 0.041 0.000 2.326 256 D HA 0.108 4.748 4.640 0.000 0.000 0.248 256 D C 0.860 177.169 176.300 0.015 0.000 1.001 256 D CA -0.748 53.264 54.000 0.020 0.000 0.961 256 D CB 1.126 41.928 40.800 0.004 0.000 1.183 256 D HN 0.360 nan 8.370 nan 0.000 0.502 257 I N 0.563 121.141 120.570 0.013 0.000 2.617 257 I HA -0.006 4.164 4.170 0.000 0.000 0.256 257 I C 2.491 178.609 176.117 0.002 0.000 1.167 257 I CA 0.662 61.969 61.300 0.012 0.000 1.469 257 I CB -1.725 36.282 38.000 0.013 0.000 1.098 257 I HN 0.688 nan 8.210 nan 0.000 0.436 258 G N 1.459 110.257 108.800 -0.004 0.000 2.499 258 G HA2 -0.173 3.787 3.960 0.000 0.000 0.221 258 G HA3 -0.173 3.787 3.960 0.000 0.000 0.221 258 G C 0.915 175.803 174.900 -0.020 0.000 1.109 258 G CA 0.400 45.494 45.100 -0.011 0.000 0.749 258 G HN 0.322 nan 8.290 nan 0.000 0.568 259 M N 0.168 119.752 119.600 -0.027 0.000 2.035 259 M HA 0.246 4.726 4.480 0.000 0.000 0.286 259 M C -2.283 174.002 176.300 -0.026 0.000 0.907 259 M CA -1.690 53.585 55.300 -0.042 0.000 0.935 259 M CB 2.833 35.382 32.600 -0.086 0.000 1.557 259 M HN -0.168 nan 8.290 nan 0.000 0.426 260 P HA 0.000 nan 4.420 nan 0.000 0.221 260 P C 0.019 177.329 177.300 0.017 0.000 1.155 260 P CA 0.979 64.086 63.100 0.012 0.000 0.812 260 P CB 0.381 32.089 31.700 0.013 0.000 0.801 261 E N -0.187 120.011 120.200 -0.003 0.000 3.012 261 E HA 0.089 4.439 4.350 0.000 0.000 0.228 261 E C 1.113 177.682 176.600 -0.052 0.000 1.184 261 E CA -0.221 56.179 56.400 -0.001 0.000 1.407 261 E CB 0.055 29.757 29.700 0.003 0.000 1.438 261 E HN 0.127 nan 8.360 nan 0.000 0.435 262 K N 0.235 120.568 120.400 -0.111 0.000 2.057 262 K HA -0.126 4.194 4.320 0.000 0.000 0.207 262 K C 0.002 176.360 176.600 -0.402 0.000 1.049 262 K CA 1.321 57.411 56.287 -0.328 0.000 0.931 262 K CB 0.212 32.392 32.500 -0.535 0.000 0.714 262 K HN 0.235 nan 8.250 nan 0.000 0.440 263 Y N -0.080 120.220 120.300 0.000 0.000 2.747 263 Y HA 0.274 4.824 4.550 -0.000 0.000 0.362 263 Y C 0.262 176.149 175.900 -0.023 0.000 1.026 263 Y CA -0.732 57.358 58.100 -0.017 0.000 1.135 263 Y CB 1.142 39.600 38.460 -0.003 0.000 1.175 263 Y HN -0.026 nan 8.280 nan 0.000 0.643 264 M N -0.348 119.297 119.600 0.075 0.000 2.279 264 M HA 0.224 4.704 4.480 0.000 0.000 0.306 264 M C -0.126 176.184 176.300 0.017 0.000 0.965 264 M CA 0.327 55.660 55.300 0.055 0.000 1.038 264 M CB 0.187 32.815 32.600 0.048 0.000 1.636 264 M HN 0.303 nan 8.290 nan 0.000 0.574 265 N N 1.174 119.869 118.700 -0.008 0.000 2.908 265 N HA 0.261 5.001 4.740 0.000 0.000 0.316 265 N C -1.094 174.362 175.510 -0.091 0.000 1.619 265 N CA -0.020 53.005 53.050 -0.040 0.000 1.045 265 N CB 0.766 39.231 38.487 -0.036 0.000 1.357 265 N HN 0.041 nan 8.380 nan 0.000 0.501 266 L N 1.717 122.849 121.223 -0.152 0.000 2.262 266 L HA 0.351 4.691 4.340 0.000 0.000 0.288 266 L C 0.207 176.815 176.870 -0.437 0.000 1.035 266 L CA -0.868 53.750 54.840 -0.370 0.000 0.820 266 L CB 1.051 42.744 42.059 -0.610 0.000 1.204 266 L HN 0.039 nan 8.230 nan 0.000 0.424 267 V N 1.896 121.583 119.914 -0.378 0.000 2.381 267 V HA 0.256 4.376 4.120 0.000 0.000 0.257 267 V C 0.134 175.909 176.094 -0.531 0.000 1.057 267 V CA -0.367 61.744 62.300 -0.316 0.000 1.013 267 V CB -1.048 30.676 31.823 -0.165 0.000 1.069 267 V HN 0.360 nan 8.190 nan 0.000 0.484 268 F N 5.264 124.982 119.950 -0.385 0.000 2.394 268 F HA 0.534 5.061 4.527 0.000 0.000 0.340 268 F C -1.449 174.114 175.800 -0.395 0.000 1.105 268 F CA -2.339 55.337 58.000 -0.540 0.000 1.124 268 F CB 1.230 39.856 39.000 -0.623 0.000 1.145 268 F HN 0.368 nan 8.300 nan 0.000 0.505 269 P HA 0.014 nan 4.420 nan 0.000 0.266 269 P C 0.369 177.573 177.300 -0.160 0.000 1.186 269 P CA 0.108 63.170 63.100 -0.064 0.000 0.767 269 P CB 0.596 32.302 31.700 0.010 0.000 0.820 270 R N 2.459 122.877 120.500 -0.137 0.000 2.081 270 R HA -0.137 4.203 4.340 0.000 0.000 0.235 270 R C 1.368 177.582 176.300 -0.145 0.000 1.131 270 R CA 1.485 57.491 56.100 -0.156 0.000 0.960 270 R CB -0.319 29.923 30.300 -0.096 0.000 0.856 270 R HN 0.525 nan 8.270 nan 0.000 0.436 271 K N 0.789 121.134 120.400 -0.092 0.000 2.459 271 K HA 0.125 4.445 4.320 0.000 0.000 0.193 271 K C 0.734 177.308 176.600 -0.044 0.000 1.030 271 K CA -0.117 56.138 56.287 -0.054 0.000 1.026 271 K CB 0.125 32.606 32.500 -0.030 0.000 0.809 271 K HN 0.091 nan 8.250 nan 0.000 0.504 272 L N 1.719 122.890 121.223 -0.087 0.000 2.660 272 L HA -0.122 4.218 4.340 0.000 0.000 0.272 272 L C 0.616 177.507 176.870 0.034 0.000 1.194 272 L CA 0.501 55.314 54.840 -0.044 0.000 0.945 272 L CB 0.226 42.205 42.059 -0.135 0.000 1.212 272 L HN 0.475 nan 8.230 nan 0.000 0.490 273 C N 1.850 121.184 119.300 0.056 0.000 4.095 273 C HA 0.415 4.875 4.460 0.000 0.000 0.327 273 C C 0.512 175.524 174.990 0.038 0.000 1.811 273 C CA -0.816 58.245 59.018 0.072 0.000 1.785 273 C CB -0.188 27.582 27.740 0.050 0.000 3.120 273 C HN 0.824 nan 8.230 nan 0.000 0.621 274 R N 1.814 122.331 120.500 0.027 0.000 2.473 274 R HA 0.821 5.161 4.340 0.000 0.000 0.303 274 R C -0.917 175.386 176.300 0.005 0.000 1.002 274 R CA -0.025 56.076 56.100 0.001 0.000 0.884 274 R CB 1.535 31.827 30.300 -0.014 0.000 1.173 274 R HN 0.706 nan 8.270 nan 0.000 0.464 275 L N -1.149 120.067 121.223 -0.012 0.000 2.720 275 L HA 1.005 5.345 4.340 0.000 0.000 0.261 275 L C -1.271 175.594 176.870 -0.009 0.000 1.046 275 L CA -0.866 53.978 54.840 0.008 0.000 0.886 275 L CB 2.514 44.582 42.059 0.015 0.000 1.493 275 L HN 0.578 nan 8.230 nan 0.000 0.407 276 G N 1.940 110.768 108.800 0.046 0.000 2.152 276 G HA2 0.467 4.427 3.960 0.000 0.000 0.290 276 G HA3 0.467 4.427 3.960 0.000 0.000 0.290 276 G C -1.484 173.515 174.900 0.165 0.000 1.307 276 G CA -0.551 44.587 45.100 0.064 0.000 1.289 276 G HN 0.591 nan 8.290 nan 0.000 0.612 277 L N 1.949 123.251 121.223 0.131 0.000 2.276 277 L HA 0.420 4.760 4.340 0.000 0.000 0.286 277 L C 0.662 177.604 176.870 0.120 0.000 1.061 277 L CA -0.618 54.335 54.840 0.188 0.000 0.807 277 L CB 1.501 43.632 42.059 0.120 0.000 1.177 277 L HN 0.397 nan 8.230 nan 0.000 0.429 278 S N 2.126 117.903 115.700 0.128 0.000 2.565 278 S HA 0.220 4.690 4.470 0.000 0.000 0.276 278 S C -0.008 174.561 174.600 -0.050 0.000 1.326 278 S CA -0.228 57.916 58.200 -0.093 0.000 1.045 278 S CB 0.234 63.278 63.200 -0.259 0.000 0.918 278 S HN 0.640 nan 8.310 nan 0.000 0.505 279 Y N -1.905 118.461 120.300 0.111 0.000 4.929 279 Y HA -0.256 4.294 4.550 -0.000 0.000 0.253 279 Y C 0.645 176.569 175.900 0.039 0.000 0.946 279 Y CA 0.455 58.599 58.100 0.073 0.000 1.905 279 Y CB -2.440 36.061 38.460 0.069 0.000 1.400 279 Y HN 0.731 nan 8.280 nan 0.000 0.531 280 M N 1.778 121.440 119.600 0.103 0.000 2.501 280 M HA 0.284 4.764 4.480 0.000 0.000 0.363 280 M C 1.000 177.314 176.300 0.023 0.000 1.708 280 M CA 1.256 56.573 55.300 0.028 0.000 1.078 280 M CB 0.029 32.612 32.600 -0.028 0.000 2.107 280 M HN 0.369 nan 8.290 nan 0.000 0.466 281 G N 5.221 114.041 108.800 0.034 0.000 2.537 281 G HA2 0.486 4.446 3.960 0.000 0.000 0.297 281 G HA3 0.486 4.446 3.960 0.000 0.000 0.297 281 G C -2.414 172.491 174.900 0.008 0.000 1.310 281 G CA -1.185 43.936 45.100 0.035 0.000 1.027 281 G HN 0.575 nan 8.290 nan 0.000 0.505 282 P HA -0.037 nan 4.420 nan 0.000 0.220 282 P C 1.477 178.800 177.300 0.038 0.000 1.152 282 P CA 0.572 63.687 63.100 0.024 0.000 0.812 282 P CB 0.252 31.977 31.700 0.041 0.000 0.792 283 N N 0.146 118.876 118.700 0.049 0.000 2.166 283 N HA -0.140 4.600 4.740 0.000 0.000 0.186 283 N C 1.459 177.008 175.510 0.065 0.000 1.019 283 N CA 1.247 54.337 53.050 0.067 0.000 0.856 283 N CB -0.461 38.075 38.487 0.081 0.000 0.993 283 N HN 0.382 nan 8.380 nan 0.000 0.426 284 E N 0.471 120.694 120.200 0.039 0.000 2.415 284 E HA -0.009 4.341 4.350 0.000 0.000 0.197 284 E C 1.802 178.349 176.600 -0.088 0.000 1.007 284 E CA -0.083 56.321 56.400 0.008 0.000 0.890 284 E CB -0.463 29.210 29.700 -0.044 0.000 0.891 284 E HN 0.356 nan 8.360 nan 0.000 0.496 285 M N 1.838 121.367 119.600 -0.119 0.000 2.146 285 M HA -0.137 4.343 4.480 0.000 0.000 0.256 285 M C -0.930 175.028 176.300 -0.571 0.000 1.075 285 M CA 2.005 57.150 55.300 -0.258 0.000 1.082 285 M CB -0.945 31.550 32.600 -0.174 0.000 1.355 285 M HN -0.053 nan 8.290 nan 0.000 0.402 286 P HA -0.106 nan 4.420 nan 0.000 0.222 286 P C 1.422 178.442 177.300 -0.467 0.000 1.147 286 P CA 1.342 64.054 63.100 -0.647 0.000 0.790 286 P CB -0.721 31.068 31.700 0.149 0.000 0.780 287 I N -4.620 115.809 120.570 -0.236 0.000 2.850 287 I HA -0.134 4.036 4.170 0.000 0.000 0.266 287 I C 1.476 177.569 176.117 -0.039 0.000 1.257 287 I CA 1.338 62.621 61.300 -0.028 0.000 1.465 287 I CB -0.796 37.259 38.000 0.091 0.000 1.091 287 I HN -0.082 nan 8.210 nan 0.000 0.467 288 L N -0.403 120.578 121.223 -0.405 0.000 2.307 288 L HA 0.045 4.385 4.340 0.000 0.000 0.211 288 L C 2.298 178.775 176.870 -0.655 0.000 1.099 288 L CA 0.447 54.898 54.840 -0.647 0.000 0.816 288 L CB -0.444 41.212 42.059 -0.670 0.000 0.952 288 L HN 0.116 nan 8.230 nan 0.000 0.455 289 F N 0.713 120.520 119.950 -0.238 0.000 2.120 289 F HA -0.139 4.388 4.527 0.000 0.000 0.300 289 F C -0.128 175.594 175.800 -0.130 0.000 1.095 289 F CA 0.888 58.780 58.000 -0.180 0.000 1.249 289 F CB -2.577 36.368 39.000 -0.091 0.000 0.995 289 F HN 0.107 nan 8.300 nan 0.000 0.480 290 P HA -0.209 nan 4.420 nan 0.000 0.221 290 P C 0.467 177.954 177.300 0.311 0.000 1.141 290 P CA 1.705 64.950 63.100 0.242 0.000 0.794 290 P CB -0.409 31.499 31.700 0.346 0.000 0.764 291 F N -7.106 112.871 119.950 0.046 0.000 2.916 291 F HA 0.631 5.159 4.527 0.000 0.000 0.331 291 F C 1.268 177.070 175.800 0.004 0.000 1.268 291 F CA -0.378 57.632 58.000 0.017 0.000 1.016 291 F CB -0.821 38.178 39.000 -0.001 0.000 1.386 291 F HN -0.270 nan 8.300 nan 0.000 0.503 292 A N 1.216 123.853 122.820 -0.306 0.000 2.076 292 A HA 0.061 4.381 4.320 0.000 0.000 0.220 292 A C 2.357 179.897 177.584 -0.073 0.000 1.160 292 A CA 1.900 53.792 52.037 -0.242 0.000 0.653 292 A CB -0.951 17.979 19.000 -0.117 0.000 0.801 292 A HN 0.754 nan 8.150 nan 0.000 0.455 293 A N -1.153 121.664 122.820 -0.004 0.000 2.024 293 A HA -0.211 4.109 4.320 0.000 0.000 0.220 293 A C 2.086 179.694 177.584 0.040 0.000 1.164 293 A CA 1.749 53.801 52.037 0.025 0.000 0.643 293 A CB -0.357 18.669 19.000 0.042 0.000 0.806 293 A HN 0.675 nan 8.150 nan 0.000 0.451 294 Q N -0.918 118.923 119.800 0.070 0.000 2.391 294 Q HA 0.217 4.557 4.340 0.000 0.000 0.211 294 Q C -0.070 175.976 176.000 0.077 0.000 0.908 294 Q CA -0.253 55.607 55.803 0.095 0.000 0.920 294 Q CB 0.096 28.937 28.738 0.172 0.000 1.056 294 Q HN 0.648 nan 8.270 nan 0.000 0.523 295 I N 2.083 122.680 120.570 0.046 0.000 2.668 295 I HA -0.088 4.082 4.170 0.000 0.000 0.285 295 I C 1.005 177.126 176.117 0.007 0.000 1.168 295 I CA 0.666 61.973 61.300 0.012 0.000 1.424 295 I CB 0.538 38.497 38.000 -0.068 0.000 1.377 295 I HN 0.197 nan 8.210 nan 0.000 0.560 296 R N 4.203 124.709 120.500 0.010 0.000 2.394 296 R HA 0.234 4.574 4.340 0.000 0.000 0.220 296 R C 0.215 176.516 176.300 0.000 0.000 0.887 296 R CA -0.192 55.914 56.100 0.009 0.000 1.034 296 R CB 0.587 30.895 30.300 0.013 0.000 1.179 296 R HN 0.428 nan 8.270 nan 0.000 0.561 297 K N 1.155 121.550 120.400 -0.009 0.000 2.443 297 K HA 0.381 4.701 4.320 0.000 0.000 0.252 297 K C -1.914 174.670 176.600 -0.026 0.000 0.933 297 K CA -0.696 55.581 56.287 -0.018 0.000 0.792 297 K CB 1.654 34.137 32.500 -0.028 0.000 1.185 297 K HN -0.195 nan 8.250 nan 0.000 0.425 298 L N 3.134 124.342 121.223 -0.024 0.000 2.409 298 L HA 0.420 4.760 4.340 0.000 0.000 0.272 298 L C -1.521 175.335 176.870 -0.023 0.000 0.980 298 L CA -0.250 54.571 54.840 -0.032 0.000 0.826 298 L CB 1.878 43.917 42.059 -0.032 0.000 1.268 298 L HN 0.655 nan 8.230 nan 0.000 0.407 299 D N 4.424 124.810 120.400 -0.023 0.000 2.483 299 D HA 0.286 4.926 4.640 0.000 0.000 0.281 299 D C 0.052 176.346 176.300 -0.011 0.000 1.174 299 D CA -0.088 53.908 54.000 -0.007 0.000 0.938 299 D CB 0.307 41.121 40.800 0.023 0.000 1.002 299 D HN 0.502 nan 8.370 nan 0.000 0.501 300 L N 2.606 123.809 121.223 -0.033 0.000 2.737 300 L HA 0.119 4.459 4.340 0.000 0.000 0.236 300 L C 1.836 178.655 176.870 -0.084 0.000 1.219 300 L CA -0.331 54.482 54.840 -0.045 0.000 1.021 300 L CB 0.145 42.181 42.059 -0.038 0.000 1.291 300 L HN 0.266 nan 8.230 nan 0.000 0.470 301 L N -0.036 121.068 121.223 -0.200 0.000 2.056 301 L HA -0.135 4.205 4.340 0.000 0.000 0.207 301 L C 1.231 177.745 176.870 -0.593 0.000 1.078 301 L CA 2.104 56.654 54.840 -0.483 0.000 0.749 301 L CB -0.462 41.112 42.059 -0.808 0.000 0.901 301 L HN 0.368 nan 8.230 nan 0.000 0.433 302 Y N -0.850 119.409 120.300 -0.068 0.000 2.751 302 Y HA 0.505 5.055 4.550 0.000 0.000 0.289 302 Y C 0.679 176.475 175.900 -0.173 0.000 1.110 302 Y CA -0.429 57.571 58.100 -0.166 0.000 1.251 302 Y CB -0.162 38.116 38.460 -0.303 0.000 1.178 302 Y HN 0.057 nan 8.280 nan 0.000 0.540 303 A N 0.445 123.259 122.820 -0.011 0.000 2.304 303 A HA 0.533 4.853 4.320 0.000 0.000 0.301 303 A C -0.082 177.533 177.584 0.051 0.000 1.132 303 A CA -0.400 51.639 52.037 0.005 0.000 0.819 303 A CB 0.647 19.622 19.000 -0.042 0.000 1.094 303 A HN 0.321 nan 8.150 nan 0.000 0.492 304 L N 2.848 124.117 121.223 0.078 0.000 3.001 304 L HA 0.252 4.592 4.340 0.000 0.000 0.234 304 L C 0.103 177.013 176.870 0.066 0.000 1.321 304 L CA 0.592 55.492 54.840 0.100 0.000 1.138 304 L CB -1.201 40.942 42.059 0.140 0.000 1.503 304 L HN 0.663 nan 8.230 nan 0.000 0.487 305 L N -2.625 118.621 121.223 0.039 0.000 2.319 305 L HA 0.716 5.056 4.340 0.000 0.000 0.267 305 L C -0.246 176.699 176.870 0.125 0.000 1.011 305 L CA -0.717 54.139 54.840 0.026 0.000 0.818 305 L CB 1.898 43.915 42.059 -0.071 0.000 1.316 305 L HN 0.082 nan 8.230 nan 0.000 0.432 306 E N -0.049 120.233 120.200 0.136 0.000 2.254 306 E HA 0.179 4.529 4.350 0.000 0.000 0.258 306 E C 0.339 177.083 176.600 0.241 0.000 1.033 306 E CA -0.562 55.939 56.400 0.168 0.000 0.893 306 E CB 1.443 31.198 29.700 0.093 0.000 1.204 306 E HN 0.729 nan 8.360 nan 0.000 0.425 307 T N -0.249 114.385 114.554 0.133 0.000 2.699 307 T HA -0.271 4.079 4.350 0.000 0.000 0.268 307 T C 1.641 176.415 174.700 0.123 0.000 1.036 307 T CA 2.240 64.389 62.100 0.082 0.000 1.147 307 T CB -0.124 68.749 68.868 0.009 0.000 0.862 307 T HN 0.549 nan 8.240 nan 0.000 0.446 308 E N -0.162 120.096 120.200 0.097 0.000 2.047 308 E HA -0.155 4.195 4.350 0.000 0.000 0.191 308 E C 1.919 178.573 176.600 0.090 0.000 0.987 308 E CA 1.486 57.933 56.400 0.078 0.000 0.799 308 E CB -0.132 29.601 29.700 0.055 0.000 0.752 308 E HN 0.562 nan 8.360 nan 0.000 0.449 309 D N -0.081 120.375 120.400 0.094 0.000 2.182 309 D HA -0.190 4.450 4.640 0.000 0.000 0.201 309 D C 1.832 178.155 176.300 0.039 0.000 0.986 309 D CA 0.938 54.974 54.000 0.060 0.000 0.847 309 D CB -0.343 40.474 40.800 0.030 0.000 0.942 309 D HN 0.414 nan 8.370 nan 0.000 0.467 310 H N 0.182 119.265 119.070 0.020 0.000 2.293 310 H HA -0.087 4.469 4.556 0.000 0.000 0.300 310 H C 2.488 177.824 175.328 0.013 0.000 1.082 310 H CA 1.311 57.367 56.048 0.014 0.000 1.308 310 H CB -0.217 29.552 29.762 0.012 0.000 1.375 310 H HN 0.238 nan 8.280 nan 0.000 0.495 311 C N 0.297 119.688 119.300 0.152 0.000 2.413 311 C HA -0.159 4.301 4.460 0.000 0.000 0.276 311 C C 3.140 178.139 174.990 0.015 0.000 1.248 311 C CA 1.624 60.689 59.018 0.077 0.000 1.742 311 C CB -1.255 26.524 27.740 0.064 0.000 2.017 311 C HN 0.740 nan 8.230 nan 0.000 0.481 312 T N -0.558 114.009 114.554 0.021 0.000 2.833 312 T HA -0.129 4.221 4.350 0.000 0.000 0.269 312 T C 1.707 176.416 174.700 0.014 0.000 1.054 312 T CA 1.386 63.480 62.100 -0.011 0.000 1.135 312 T CB -0.395 68.482 68.868 0.015 0.000 0.869 312 T HN 0.578 nan 8.240 nan 0.000 0.466 313 L N 0.013 121.271 121.223 0.059 0.000 2.084 313 L HA 0.103 4.443 4.340 0.000 0.000 0.202 313 L C 2.646 179.518 176.870 0.003 0.000 1.074 313 L CA 0.936 55.823 54.840 0.079 0.000 0.757 313 L CB -0.282 41.771 42.059 -0.009 0.000 0.918 313 L HN 0.191 nan 8.230 nan 0.000 0.444 314 I N 0.026 120.595 120.570 -0.002 0.000 2.185 314 I HA -0.376 3.794 4.170 0.000 0.000 0.246 314 I C 2.505 178.585 176.117 -0.061 0.000 1.088 314 I CA 1.510 62.812 61.300 0.003 0.000 1.347 314 I CB -1.437 36.596 38.000 0.055 0.000 1.041 314 I HN 0.546 nan 8.210 nan 0.000 0.415 315 Q N 1.556 121.251 119.800 -0.175 0.000 2.297 315 Q HA -0.193 4.147 4.340 0.000 0.000 0.208 315 Q C 1.691 177.440 176.000 -0.419 0.000 0.981 315 Q CA 1.321 56.804 55.803 -0.534 0.000 0.876 315 Q CB 0.077 28.473 28.738 -0.570 0.000 0.921 315 Q HN 0.569 nan 8.270 nan 0.000 0.446 316 K N -1.097 119.192 120.400 -0.185 0.000 2.404 316 K HA 0.103 4.423 4.320 0.000 0.000 0.194 316 K C 0.238 176.808 176.600 -0.051 0.000 1.023 316 K CA -0.024 56.199 56.287 -0.107 0.000 1.094 316 K CB 0.608 33.096 32.500 -0.020 0.000 0.841 316 K HN 0.085 nan 8.250 nan 0.000 0.523 317 C N 2.625 121.904 119.300 -0.036 0.000 3.003 317 C HA 0.231 4.691 4.460 0.000 0.000 0.241 317 C C -1.334 173.675 174.990 0.031 0.000 1.224 317 C CA -1.364 57.649 59.018 -0.009 0.000 1.560 317 C CB 0.463 28.190 27.740 -0.022 0.000 1.768 317 C HN 0.229 nan 8.230 nan 0.000 0.440 318 P HA -0.076 nan 4.420 nan 0.000 0.223 318 P C 0.739 178.073 177.300 0.057 0.000 1.151 318 P CA 1.416 64.564 63.100 0.081 0.000 0.787 318 P CB 0.312 32.060 31.700 0.079 0.000 0.788 319 N N -0.540 118.184 118.700 0.040 0.000 2.236 319 N HA 0.060 4.800 4.740 0.000 0.000 0.196 319 N C 0.540 176.068 175.510 0.029 0.000 1.114 319 N CA -0.327 52.743 53.050 0.034 0.000 0.859 319 N CB 0.042 38.547 38.487 0.030 0.000 0.982 319 N HN 0.124 nan 8.380 nan 0.000 0.493 320 L N 2.792 124.032 121.223 0.028 0.000 2.667 320 L HA -0.102 4.239 4.340 0.000 0.000 0.278 320 L C 1.333 178.222 176.870 0.031 0.000 1.217 320 L CA 0.848 55.703 54.840 0.025 0.000 0.935 320 L CB 0.408 42.484 42.059 0.028 0.000 1.193 320 L HN 0.244 nan 8.230 nan 0.000 0.493 321 E N 3.265 123.481 120.200 0.026 0.000 2.485 321 E HA 0.195 4.545 4.350 0.000 0.000 0.213 321 E C -0.396 176.223 176.600 0.031 0.000 0.923 321 E CA -0.146 56.273 56.400 0.031 0.000 1.054 321 E CB 0.428 30.144 29.700 0.027 0.000 1.077 321 E HN 0.353 nan 8.360 nan 0.000 0.509 322 V N 2.207 122.133 119.914 0.019 0.000 2.577 322 V HA 0.424 4.544 4.120 0.000 0.000 0.303 322 V C -1.278 174.825 176.094 0.015 0.000 1.042 322 V CA -0.995 61.314 62.300 0.014 0.000 0.872 322 V CB 1.985 33.800 31.823 -0.015 0.000 0.998 322 V HN 0.205 nan 8.190 nan 0.000 0.423 323 L N 4.062 125.304 121.223 0.031 0.000 2.436 323 L HA 0.715 5.055 4.340 0.000 0.000 0.268 323 L C -0.689 176.204 176.870 0.039 0.000 0.974 323 L CA 0.023 54.883 54.840 0.033 0.000 0.826 323 L CB 2.171 44.260 42.059 0.050 0.000 1.291 323 L HN 0.729 nan 8.230 nan 0.000 0.406 324 E N 2.956 123.168 120.200 0.020 0.000 2.199 324 E HA 0.642 4.992 4.350 0.000 0.000 0.265 324 E C -1.188 175.415 176.600 0.004 0.000 0.882 324 E CA -0.536 55.873 56.400 0.014 0.000 0.759 324 E CB 2.210 31.903 29.700 -0.011 0.000 1.148 324 E HN 0.695 nan 8.360 nan 0.000 0.412 325 T N 1.282 115.844 114.554 0.012 0.000 2.731 325 T HA 0.414 4.764 4.350 0.000 0.000 0.300 325 T C -1.070 173.618 174.700 -0.020 0.000 1.283 325 T CA -0.688 61.423 62.100 0.018 0.000 1.005 325 T CB 1.160 70.097 68.868 0.115 0.000 1.420 325 T HN 0.333 nan 8.240 nan 0.000 0.503 326 R N 1.059 121.543 120.500 -0.027 0.000 2.549 326 R HA 0.368 4.708 4.340 0.000 0.000 0.259 326 R C 1.616 177.873 176.300 -0.072 0.000 1.095 326 R CA -0.326 55.739 56.100 -0.058 0.000 1.148 326 R CB 0.317 30.581 30.300 -0.060 0.000 1.181 326 R HN 0.846 nan 8.270 nan 0.000 0.571 327 N N -0.289 118.371 118.700 -0.067 0.000 2.520 327 N HA -0.115 4.625 4.740 0.000 0.000 0.185 327 N C 1.128 176.578 175.510 -0.100 0.000 1.068 327 N CA 0.303 53.316 53.050 -0.060 0.000 0.911 327 N CB -0.075 38.395 38.487 -0.029 0.000 0.961 327 N HN 0.142 nan 8.380 nan 0.000 0.446 328 V N 1.531 121.374 119.914 -0.119 0.000 2.453 328 V HA -0.262 3.858 4.120 0.000 0.000 0.252 328 V C 2.397 178.299 176.094 -0.321 0.000 1.068 328 V CA 1.340 63.550 62.300 -0.149 0.000 1.070 328 V CB -0.706 31.071 31.823 -0.076 0.000 0.664 328 V HN 0.348 nan 8.190 nan 0.000 0.461 329 I N 0.682 120.927 120.570 -0.542 0.000 2.227 329 I HA -0.143 4.027 4.170 0.000 0.000 0.250 329 I C 1.290 177.257 176.117 -0.249 0.000 1.087 329 I CA 1.525 62.456 61.300 -0.615 0.000 1.352 329 I CB -0.856 36.946 38.000 -0.330 0.000 1.043 329 I HN 0.528 nan 8.210 nan 0.000 0.425 330 G N -0.360 108.352 108.800 -0.148 0.000 2.856 330 G HA2 -0.278 3.682 3.960 0.000 0.000 0.674 330 G HA3 -0.278 3.682 3.960 0.000 0.000 0.674 330 G C 0.409 175.289 174.900 -0.032 0.000 1.519 330 G CA -0.016 45.043 45.100 -0.068 0.000 0.940 330 G HN 0.320 nan 8.290 nan 0.000 0.564 331 D N 0.074 120.468 120.400 -0.010 0.000 2.123 331 D HA -0.128 4.512 4.640 0.000 0.000 0.196 331 D C 2.387 178.694 176.300 0.012 0.000 0.992 331 D CA 1.535 55.539 54.000 0.007 0.000 0.833 331 D CB -0.011 40.796 40.800 0.012 0.000 0.954 331 D HN 0.547 nan 8.370 nan 0.000 0.455 332 R N 0.564 121.071 120.500 0.011 0.000 2.083 332 R HA -0.128 4.212 4.340 0.000 0.000 0.237 332 R C 2.390 178.711 176.300 0.034 0.000 1.137 332 R CA 1.906 58.021 56.100 0.024 0.000 0.951 332 R CB -0.601 29.714 30.300 0.024 0.000 0.851 332 R HN 0.161 nan 8.270 nan 0.000 0.434 333 G N 0.877 109.688 108.800 0.019 0.000 2.446 333 G HA2 -0.275 3.685 3.960 0.000 0.000 0.217 333 G HA3 -0.275 3.685 3.960 0.000 0.000 0.217 333 G C 1.444 176.371 174.900 0.045 0.000 1.168 333 G CA 1.019 46.138 45.100 0.032 0.000 0.771 333 G HN 0.279 nan 8.290 nan 0.000 0.551 334 L N -0.025 121.214 121.223 0.026 0.000 2.042 334 L HA -0.103 4.237 4.340 0.000 0.000 0.210 334 L C 2.888 179.787 176.870 0.047 0.000 1.076 334 L CA 1.469 56.332 54.840 0.038 0.000 0.749 334 L CB -0.359 41.717 42.059 0.029 0.000 0.893 334 L HN 0.288 nan 8.230 nan 0.000 0.432 335 E N -0.648 119.578 120.200 0.044 0.000 2.077 335 E HA -0.199 4.151 4.350 0.000 0.000 0.193 335 E C 2.218 178.861 176.600 0.072 0.000 0.989 335 E CA 1.421 57.846 56.400 0.042 0.000 0.800 335 E CB 0.000 29.721 29.700 0.036 0.000 0.746 335 E HN 0.268 nan 8.360 nan 0.000 0.452 336 V N 1.123 121.104 119.914 0.112 0.000 2.255 336 V HA -0.270 3.850 4.120 0.000 0.000 0.247 336 V C 2.313 178.558 176.094 0.251 0.000 1.051 336 V CA 1.542 63.971 62.300 0.214 0.000 1.018 336 V CB -0.503 31.421 31.823 0.168 0.000 0.641 336 V HN 0.269 nan 8.190 nan 0.000 0.445 337 L N 0.861 122.175 121.223 0.153 0.000 2.081 337 L HA -0.171 4.169 4.340 0.000 0.000 0.212 337 L C 2.477 179.402 176.870 0.093 0.000 1.080 337 L CA 2.265 57.182 54.840 0.128 0.000 0.754 337 L CB -0.927 41.186 42.059 0.089 0.000 0.893 337 L HN 0.260 nan 8.230 nan 0.000 0.433 338 A N -0.905 121.948 122.820 0.054 0.000 1.940 338 A HA -0.247 4.073 4.320 0.000 0.000 0.219 338 A C 2.165 179.719 177.584 -0.052 0.000 1.176 338 A CA 2.028 54.065 52.037 -0.001 0.000 0.631 338 A CB -0.510 18.480 19.000 -0.016 0.000 0.814 338 A HN 0.714 nan 8.150 nan 0.000 0.446 339 Q N -2.683 117.051 119.800 -0.110 0.000 2.280 339 Q HA 0.087 4.427 4.340 0.000 0.000 0.228 339 Q C 1.202 177.013 176.000 -0.315 0.000 0.857 339 Q CA 0.315 55.977 55.803 -0.236 0.000 0.939 339 Q CB -0.173 28.371 28.738 -0.322 0.000 1.114 339 Q HN 0.675 nan 8.270 nan 0.000 0.514 340 Y N 0.564 120.865 120.300 0.000 0.000 2.397 340 Y HA 0.125 4.675 4.550 0.000 0.000 0.292 340 Y C 1.061 176.964 175.900 0.005 0.000 1.115 340 Y CA 0.309 58.411 58.100 0.003 0.000 1.208 340 Y CB 0.718 39.181 38.460 0.005 0.000 1.046 340 Y HN 0.131 nan 8.280 nan 0.000 0.552 341 C N 2.056 121.439 119.300 0.138 0.000 2.357 341 C HA 0.312 4.772 4.460 0.000 0.000 0.300 341 C C 1.146 176.166 174.990 0.050 0.000 1.074 341 C CA -1.347 57.724 59.018 0.090 0.000 1.566 341 C CB -0.033 27.761 27.740 0.089 0.000 1.791 341 C HN 0.307 nan 8.230 nan 0.000 0.415 342 K N 0.990 121.410 120.400 0.033 0.000 2.305 342 K HA -0.015 4.305 4.320 0.000 0.000 0.199 342 K C 1.514 178.130 176.600 0.026 0.000 1.047 342 K CA 0.927 57.224 56.287 0.016 0.000 0.976 342 K CB 0.181 32.681 32.500 0.001 0.000 0.765 342 K HN 0.657 nan 8.250 nan 0.000 0.474 343 Q N 0.731 120.551 119.800 0.033 0.000 2.365 343 Q HA 0.063 4.403 4.340 0.000 0.000 0.203 343 Q C 0.505 176.530 176.000 0.042 0.000 0.929 343 Q CA -0.194 55.630 55.803 0.035 0.000 0.948 343 Q CB -0.609 28.149 28.738 0.032 0.000 1.043 343 Q HN 0.093 nan 8.270 nan 0.000 0.505 344 L N 2.280 123.532 121.223 0.047 0.000 2.601 344 L HA -0.107 4.233 4.340 0.000 0.000 0.277 344 L C 1.017 177.928 176.870 0.067 0.000 1.219 344 L CA 0.849 55.724 54.840 0.057 0.000 0.915 344 L CB 0.512 42.609 42.059 0.063 0.000 1.160 344 L HN -0.069 nan 8.230 nan 0.000 0.494 345 K N 4.545 124.988 120.400 0.070 0.000 2.387 345 K HA 0.260 4.580 4.320 0.000 0.000 0.197 345 K C -0.074 176.601 176.600 0.124 0.000 1.127 345 K CA 0.397 56.735 56.287 0.085 0.000 0.950 345 K CB 0.615 33.153 32.500 0.064 0.000 1.017 345 K HN 0.553 nan 8.250 nan 0.000 0.519 346 R N 0.845 121.415 120.500 0.117 0.000 2.574 346 R HA 0.452 4.792 4.340 0.000 0.000 0.288 346 R C -1.394 175.009 176.300 0.171 0.000 1.004 346 R CA -0.746 55.461 56.100 0.178 0.000 0.895 346 R CB 1.892 32.223 30.300 0.051 0.000 1.191 346 R HN -0.111 nan 8.270 nan 0.000 0.444 347 L N 1.895 123.273 121.223 0.259 0.000 2.436 347 L HA 0.570 4.910 4.340 0.000 0.000 0.268 347 L C -1.244 175.764 176.870 0.231 0.000 0.974 347 L CA -0.469 54.481 54.840 0.184 0.000 0.826 347 L CB 1.930 44.066 42.059 0.128 0.000 1.291 347 L HN 0.673 nan 8.230 nan 0.000 0.406 348 R N 5.750 126.356 120.500 0.177 0.000 2.561 348 R HA 0.680 5.020 4.340 0.000 0.000 0.297 348 R C -1.531 174.829 176.300 0.100 0.000 0.969 348 R CA -0.623 55.582 56.100 0.175 0.000 0.879 348 R CB 1.308 31.732 30.300 0.205 0.000 1.178 348 R HN 0.744 nan 8.270 nan 0.000 0.445 349 I N 4.101 124.728 120.570 0.095 0.000 2.621 349 I HA 0.243 4.413 4.170 0.000 0.000 0.276 349 I C 0.158 176.364 176.117 0.148 0.000 1.118 349 I CA -0.647 60.701 61.300 0.080 0.000 1.159 349 I CB 0.859 38.895 38.000 0.060 0.000 1.357 349 I HN 0.577 nan 8.210 nan 0.000 0.513 350 E N 4.001 124.259 120.200 0.097 0.000 2.425 350 E HA 0.057 4.407 4.350 0.000 0.000 0.258 350 E C 0.349 176.869 176.600 -0.133 0.000 1.151 350 E CA -0.127 56.308 56.400 0.060 0.000 0.958 350 E CB 1.147 30.827 29.700 -0.033 0.000 0.968 350 E HN 0.514 nan 8.360 nan 0.000 0.451 351 R N 0.007 120.187 120.500 -0.533 0.000 2.254 351 R HA 0.501 4.841 4.340 0.000 0.000 0.318 351 R C 0.449 176.584 176.300 -0.275 0.000 1.031 351 R CA -0.365 55.446 56.100 -0.482 0.000 0.905 351 R CB 0.905 30.699 30.300 -0.844 0.000 1.050 351 R HN 0.400 nan 8.270 nan 0.000 0.456 352 G N 1.679 110.385 108.800 -0.157 0.000 2.494 352 G HA2 0.389 4.349 3.960 0.000 0.000 0.270 352 G HA3 0.389 4.349 3.960 0.000 0.000 0.270 352 G C -0.592 174.264 174.900 -0.074 0.000 1.423 352 G CA -0.665 44.379 45.100 -0.094 0.000 1.055 352 G HN 0.858 nan 8.290 nan 0.000 0.536 353 A N 0.074 122.872 122.820 -0.036 0.000 2.541 353 A HA 0.295 4.615 4.320 0.000 0.000 0.293 353 A C 0.365 177.934 177.584 -0.024 0.000 1.307 353 A CA -0.107 51.916 52.037 -0.023 0.000 0.978 353 A CB -0.250 18.749 19.000 -0.001 0.000 1.111 353 A HN 0.477 nan 8.150 nan 0.000 0.535 354 D N 2.603 122.983 120.400 -0.032 0.000 2.881 354 D HA 0.071 4.711 4.640 0.000 0.000 0.240 354 D C 0.767 177.059 176.300 -0.013 0.000 1.249 354 D CA 0.382 54.367 54.000 -0.025 0.000 0.839 354 D CB 0.492 41.272 40.800 -0.034 0.000 1.042 354 D HN 0.775 nan 8.370 nan 0.000 0.475 355 E N -0.242 119.954 120.200 -0.008 0.000 2.406 355 E HA 0.057 4.407 4.350 0.000 0.000 0.200 355 E C 0.187 176.788 176.600 0.000 0.000 1.034 355 E CA -0.300 56.099 56.400 -0.002 0.000 1.057 355 E CB 0.207 29.907 29.700 0.001 0.000 1.751 355 E HN -0.022 nan 8.360 nan 0.000 0.525 356 Q N 1.808 121.610 119.800 0.003 0.000 2.534 356 Q HA 0.284 4.624 4.340 0.000 0.000 0.223 356 Q C 0.421 176.423 176.000 0.004 0.000 1.239 356 Q CA 0.399 56.205 55.803 0.004 0.000 0.936 356 Q CB 0.232 28.975 28.738 0.007 0.000 1.457 356 Q HN 0.531 nan 8.270 nan 0.000 0.547 357 G N 2.237 111.039 108.800 0.003 0.000 2.682 357 G HA2 -0.284 3.676 3.960 0.000 0.000 0.256 357 G HA3 -0.284 3.676 3.960 0.000 0.000 0.256 357 G C 0.341 175.240 174.900 -0.001 0.000 1.333 357 G CA -0.374 44.727 45.100 0.002 0.000 0.904 357 G HN 0.425 nan 8.290 nan 0.000 0.569 358 M N -0.434 119.165 119.600 -0.002 0.000 1.682 358 M HA 0.187 4.668 4.480 0.000 0.000 0.110 358 M C 1.993 178.292 176.300 -0.001 0.000 1.049 358 M CA 0.953 56.249 55.300 -0.006 0.000 0.634 358 M CB -0.968 31.626 32.600 -0.009 0.000 0.771 358 M HN 0.745 nan 8.290 nan 0.000 0.342 359 E N -0.246 119.954 120.200 -0.001 0.000 2.447 359 E HA -0.035 4.315 4.350 0.000 0.000 0.195 359 E C -0.708 175.901 176.600 0.016 0.000 1.028 359 E CA 0.343 56.749 56.400 0.010 0.000 0.876 359 E CB 0.318 30.027 29.700 0.016 0.000 0.885 359 E HN 0.601 nan 8.360 nan 0.000 0.500 360 D N -1.348 119.058 120.400 0.010 0.000 2.921 360 D HA 0.024 4.664 4.640 0.000 0.000 0.329 360 D C 0.205 176.509 176.300 0.007 0.000 1.293 360 D CA -0.645 53.362 54.000 0.012 0.000 0.964 360 D CB 0.018 40.829 40.800 0.019 0.000 1.435 360 D HN -0.232 nan 8.370 nan 0.000 0.548 361 E N -0.830 119.375 120.200 0.009 0.000 2.474 361 E HA 0.081 4.431 4.350 0.000 0.000 0.194 361 E C 0.412 177.015 176.600 0.005 0.000 1.041 361 E CA 0.634 57.038 56.400 0.007 0.000 0.874 361 E CB 0.174 29.879 29.700 0.009 0.000 0.914 361 E HN 0.480 nan 8.360 nan 0.000 0.498 362 E N -1.209 118.993 120.200 0.004 0.000 2.481 362 E HA 0.141 4.491 4.350 0.000 0.000 0.198 362 E C 1.013 177.606 176.600 -0.013 0.000 1.027 362 E CA 0.287 56.686 56.400 -0.000 0.000 0.900 362 E CB 0.729 30.432 29.700 0.004 0.000 0.993 362 E HN 0.166 nan 8.360 nan 0.000 0.482 363 G N 1.573 110.364 108.800 -0.015 0.000 3.318 363 G HA2 0.165 4.125 3.960 0.000 0.000 0.230 363 G HA3 0.165 4.125 3.960 0.000 0.000 0.230 363 G C -0.072 174.813 174.900 -0.024 0.000 1.317 363 G CA 0.114 45.196 45.100 -0.029 0.000 1.197 363 G HN -0.067 nan 8.290 nan 0.000 0.514 364 L N 0.256 121.469 121.223 -0.016 0.000 2.346 364 L HA 0.564 4.904 4.340 0.000 0.000 0.274 364 L C 0.140 177.007 176.870 -0.005 0.000 1.007 364 L CA -1.176 53.660 54.840 -0.007 0.000 0.818 364 L CB 2.200 44.259 42.059 0.001 0.000 1.284 364 L HN 0.007 nan 8.230 nan 0.000 0.424 365 V N -0.357 119.559 119.914 0.003 0.000 2.630 365 V HA 1.029 5.149 4.120 0.000 0.000 0.305 365 V C -0.061 176.046 176.094 0.020 0.000 1.046 365 V CA -0.310 61.997 62.300 0.011 0.000 0.934 365 V CB 1.477 33.309 31.823 0.015 0.000 1.003 365 V HN 0.916 nan 8.190 nan 0.000 0.451 366 S N 2.006 117.721 115.700 0.026 0.000 2.688 366 S HA 0.439 4.909 4.470 0.000 0.000 0.275 366 S C 0.529 175.153 174.600 0.041 0.000 1.175 366 S CA -0.305 57.913 58.200 0.030 0.000 0.818 366 S CB 1.635 64.849 63.200 0.024 0.000 1.157 366 S HN 0.699 nan 8.310 nan 0.000 0.482 367 Q N 0.836 120.662 119.800 0.044 0.000 2.182 367 Q HA -0.200 4.140 4.340 0.000 0.000 0.213 367 Q C 2.086 178.115 176.000 0.048 0.000 1.000 367 Q CA 2.524 58.357 55.803 0.051 0.000 0.889 367 Q CB -0.519 28.246 28.738 0.045 0.000 0.932 367 Q HN 0.711 nan 8.270 nan 0.000 0.415 368 R N 0.004 120.526 120.500 0.038 0.000 2.088 368 R HA -0.152 4.188 4.340 0.000 0.000 0.232 368 R C 2.369 178.690 176.300 0.034 0.000 1.136 368 R CA 1.847 57.966 56.100 0.033 0.000 0.926 368 R CB -0.911 29.404 30.300 0.025 0.000 0.837 368 R HN 0.407 nan 8.270 nan 0.000 0.429 369 G N 0.894 109.714 108.800 0.034 0.000 2.446 369 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 369 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 369 G C 1.510 176.438 174.900 0.047 0.000 1.168 369 G CA 1.023 46.143 45.100 0.035 0.000 0.771 369 G HN 0.260 nan 8.290 nan 0.000 0.551 370 L N -0.011 121.249 121.223 0.061 0.000 1.970 370 L HA -0.067 4.273 4.340 0.000 0.000 0.212 370 L C 2.739 179.659 176.870 0.082 0.000 1.071 370 L CA 1.306 56.197 54.840 0.085 0.000 0.751 370 L CB -0.390 41.733 42.059 0.106 0.000 0.889 370 L HN 0.260 nan 8.230 nan 0.000 0.432 371 I N -0.524 120.090 120.570 0.074 0.000 2.361 371 I HA -0.275 3.895 4.170 0.000 0.000 0.251 371 I C 2.560 178.704 176.117 0.044 0.000 1.133 371 I CA 1.190 62.535 61.300 0.075 0.000 1.413 371 I CB -0.031 38.013 38.000 0.073 0.000 1.073 371 I HN 0.225 nan 8.210 nan 0.000 0.424 372 A N 0.757 123.594 122.820 0.028 0.000 1.858 372 A HA -0.250 4.071 4.320 0.000 0.000 0.216 372 A C 2.215 179.793 177.584 -0.011 0.000 1.190 372 A CA 2.017 54.054 52.037 0.001 0.000 0.617 372 A CB -1.053 17.953 19.000 0.010 0.000 0.827 372 A HN 0.526 nan 8.150 nan 0.000 0.443 373 L N -0.205 121.030 121.223 0.019 0.000 2.046 373 L HA -0.058 4.282 4.340 0.000 0.000 0.208 373 L C 2.630 179.512 176.870 0.020 0.000 1.077 373 L CA 2.296 57.152 54.840 0.027 0.000 0.747 373 L CB -0.730 41.364 42.059 0.058 0.000 0.896 373 L HN 0.340 nan 8.230 nan 0.000 0.432 374 A N -1.112 121.735 122.820 0.045 0.000 1.978 374 A HA -0.259 4.061 4.320 0.000 0.000 0.220 374 A C 2.178 179.728 177.584 -0.057 0.000 1.170 374 A CA 2.023 54.104 52.037 0.074 0.000 0.636 374 A CB -0.515 18.578 19.000 0.155 0.000 0.810 374 A HN 0.727 nan 8.150 nan 0.000 0.448 375 Q N -1.283 118.398 119.800 -0.199 0.000 2.163 375 Q HA 0.020 4.360 4.340 0.000 0.000 0.198 375 Q C 2.248 178.055 176.000 -0.322 0.000 0.954 375 Q CA 0.864 56.357 55.803 -0.516 0.000 0.851 375 Q CB -0.213 28.268 28.738 -0.427 0.000 0.928 375 Q HN 0.644 nan 8.270 nan 0.000 0.459 376 G N 0.571 109.274 108.800 -0.162 0.000 2.404 376 G HA2 -0.132 3.828 3.960 0.000 0.000 0.213 376 G HA3 -0.132 3.828 3.960 0.000 0.000 0.213 376 G C 0.551 175.414 174.900 -0.062 0.000 1.189 376 G CA 0.329 45.365 45.100 -0.107 0.000 0.796 376 G HN 0.338 nan 8.290 nan 0.000 0.532 377 C N 1.760 121.046 119.300 -0.023 0.000 2.203 377 C HA 0.430 4.890 4.460 0.000 0.000 0.413 377 C C 1.375 176.384 174.990 0.032 0.000 1.054 377 C CA -0.699 58.328 59.018 0.015 0.000 1.496 377 C CB -0.649 27.115 27.740 0.041 0.000 1.573 377 C HN 0.511 nan 8.230 nan 0.000 0.498 378 Q N 0.144 119.957 119.800 0.023 0.000 2.451 378 Q HA -0.029 4.311 4.340 0.000 0.000 0.206 378 Q C 1.403 177.442 176.000 0.066 0.000 0.947 378 Q CA 0.718 56.553 55.803 0.053 0.000 0.937 378 Q CB 0.370 29.140 28.738 0.053 0.000 1.025 378 Q HN 0.758 nan 8.270 nan 0.000 0.511 379 E N 0.430 120.665 120.200 0.058 0.000 2.489 379 E HA 0.071 4.421 4.350 0.000 0.000 0.193 379 E C -0.164 176.483 176.600 0.078 0.000 1.057 379 E CA -0.216 56.221 56.400 0.062 0.000 0.866 379 E CB 0.309 30.039 29.700 0.050 0.000 0.916 379 E HN 0.307 nan 8.360 nan 0.000 0.500 380 L N 1.696 122.974 121.223 0.091 0.000 2.640 380 L HA -0.119 4.221 4.340 0.000 0.000 0.280 380 L C 1.156 178.106 176.870 0.133 0.000 1.229 380 L CA 0.856 55.767 54.840 0.118 0.000 0.919 380 L CB 0.310 42.448 42.059 0.131 0.000 1.168 380 L HN 0.180 nan 8.230 nan 0.000 0.496 381 E N 2.429 122.723 120.200 0.157 0.000 2.399 381 E HA 0.029 4.380 4.350 0.000 0.000 0.205 381 E C -0.821 175.926 176.600 0.244 0.000 0.906 381 E CA 0.041 56.544 56.400 0.172 0.000 0.998 381 E CB 0.793 30.580 29.700 0.146 0.000 1.002 381 E HN 0.483 nan 8.360 nan 0.000 0.501 382 Y N 1.279 121.643 120.300 0.107 0.000 2.346 382 Y HA 0.498 5.048 4.550 0.000 0.000 0.332 382 Y C -1.316 174.647 175.900 0.104 0.000 0.985 382 Y CA -0.854 57.312 58.100 0.110 0.000 1.112 382 Y CB 1.302 39.807 38.460 0.075 0.000 1.170 382 Y HN -0.197 nan 8.280 nan 0.000 0.447 383 M N 6.307 125.767 119.600 -0.234 0.000 2.124 383 M HA 0.753 5.233 4.480 0.000 0.000 0.280 383 M C -1.951 174.067 176.300 -0.470 0.000 0.954 383 M CA -0.501 54.704 55.300 -0.159 0.000 0.958 383 M CB 1.101 33.751 32.600 0.083 0.000 1.611 383 M HN 0.840 nan 8.290 nan 0.000 0.449 384 A N 4.699 127.305 122.820 -0.357 0.000 2.330 384 A HA 0.837 5.157 4.320 0.000 0.000 0.313 384 A C -1.510 175.965 177.584 -0.181 0.000 1.124 384 A CA -0.547 51.281 52.037 -0.349 0.000 0.774 384 A CB 1.503 20.372 19.000 -0.218 0.000 1.198 384 A HN 0.589 nan 8.150 nan 0.000 0.465 385 V N 2.749 122.498 119.914 -0.275 0.000 2.733 385 V HA 0.295 4.415 4.120 0.000 0.000 0.306 385 V C -1.592 174.386 176.094 -0.193 0.000 1.084 385 V CA -0.417 61.796 62.300 -0.145 0.000 0.905 385 V CB 1.836 33.586 31.823 -0.122 0.000 1.010 385 V HN 0.809 nan 8.190 nan 0.000 0.424 386 Y N 3.485 123.736 120.300 -0.083 0.000 2.454 386 Y HA 0.533 5.083 4.550 0.000 0.000 0.345 386 Y C 0.245 176.111 175.900 -0.057 0.000 0.970 386 Y CA -0.120 57.934 58.100 -0.076 0.000 1.204 386 Y CB 1.727 40.149 38.460 -0.063 0.000 1.122 386 Y HN 0.443 nan 8.280 nan 0.000 0.514 387 V N 2.887 122.831 119.914 0.049 0.000 2.713 387 V HA 0.278 4.399 4.120 0.000 0.000 0.307 387 V C 0.437 176.553 176.094 0.036 0.000 1.052 387 V CA -0.067 62.253 62.300 0.034 0.000 0.967 387 V CB 1.978 33.806 31.823 0.009 0.000 1.019 387 V HN 0.865 nan 8.190 nan 0.000 0.459 388 S N 3.073 118.790 115.700 0.028 0.000 2.517 388 S HA 0.250 4.720 4.470 0.000 0.000 0.214 388 S C -0.133 174.475 174.600 0.013 0.000 0.991 388 S CA -0.042 58.170 58.200 0.020 0.000 0.906 388 S CB 0.033 63.242 63.200 0.015 0.000 0.789 388 S HN 0.851 nan 8.310 nan 0.000 0.513 389 D N 0.293 120.702 120.400 0.015 0.000 2.812 389 D HA 0.439 5.079 4.640 0.000 0.000 0.210 389 D C -1.605 174.710 176.300 0.024 0.000 1.260 389 D CA -0.568 53.441 54.000 0.015 0.000 0.817 389 D CB 0.992 41.801 40.800 0.015 0.000 1.694 389 D HN 0.022 nan 8.370 nan 0.000 0.530 390 I N 0.058 120.643 120.570 0.026 0.000 3.067 390 I HA 0.835 5.005 4.170 0.000 0.000 0.312 390 I C -0.036 176.111 176.117 0.050 0.000 1.073 390 I CA -0.823 60.505 61.300 0.046 0.000 1.016 390 I CB 1.853 39.888 38.000 0.058 0.000 1.227 390 I HN 0.218 nan 8.210 nan 0.000 0.456 391 T N 0.132 114.724 114.554 0.063 0.000 2.909 391 T HA 0.355 4.705 4.350 0.000 0.000 0.299 391 T C 0.575 175.320 174.700 0.074 0.000 1.073 391 T CA -0.574 61.562 62.100 0.060 0.000 0.999 391 T CB 1.065 69.962 68.868 0.048 0.000 1.098 391 T HN 0.660 nan 8.240 nan 0.000 0.477 392 N N 1.801 120.543 118.700 0.071 0.000 2.184 392 N HA -0.170 4.570 4.740 0.000 0.000 0.190 392 N C 1.548 177.089 175.510 0.052 0.000 1.011 392 N CA 1.492 54.585 53.050 0.072 0.000 0.867 392 N CB 0.048 38.570 38.487 0.059 0.000 0.993 392 N HN 0.763 nan 8.380 nan 0.000 0.433 393 E N 0.902 121.129 120.200 0.045 0.000 2.058 393 E HA -0.172 4.178 4.350 0.000 0.000 0.194 393 E C 1.996 178.622 176.600 0.044 0.000 0.997 393 E CA 1.666 58.087 56.400 0.035 0.000 0.801 393 E CB 0.089 29.811 29.700 0.036 0.000 0.746 393 E HN 0.407 nan 8.360 nan 0.000 0.450 394 S N 1.157 116.894 115.700 0.062 0.000 2.359 394 S HA -0.186 4.284 4.470 0.000 0.000 0.224 394 S C 2.198 176.843 174.600 0.075 0.000 1.035 394 S CA 1.283 59.530 58.200 0.078 0.000 1.018 394 S CB -0.829 62.426 63.200 0.092 0.000 0.876 394 S HN 0.304 nan 8.310 nan 0.000 0.448 395 L N 1.417 122.686 121.223 0.076 0.000 2.079 395 L HA -0.142 4.198 4.340 0.000 0.000 0.210 395 L C 2.897 179.755 176.870 -0.021 0.000 1.081 395 L CA 1.820 56.685 54.840 0.042 0.000 0.752 395 L CB -0.893 41.213 42.059 0.079 0.000 0.896 395 L HN 0.417 nan 8.230 nan 0.000 0.433 396 E N 0.312 120.502 120.200 -0.016 0.000 2.077 396 E HA -0.175 4.175 4.350 0.000 0.000 0.193 396 E C 2.306 178.874 176.600 -0.054 0.000 0.989 396 E CA 1.637 58.005 56.400 -0.055 0.000 0.800 396 E CB -0.067 29.604 29.700 -0.048 0.000 0.746 396 E HN 0.556 nan 8.360 nan 0.000 0.452 397 S N 0.997 116.700 115.700 0.006 0.000 2.402 397 S HA -0.101 4.369 4.470 0.000 0.000 0.229 397 S C 2.036 176.693 174.600 0.095 0.000 1.021 397 S CA 0.459 58.699 58.200 0.067 0.000 0.974 397 S CB -0.188 63.110 63.200 0.163 0.000 0.800 397 S HN 0.114 nan 8.310 nan 0.000 0.484 398 I N 2.813 123.414 120.570 0.052 0.000 2.069 398 I HA -0.153 4.017 4.170 0.000 0.000 0.237 398 I C 2.843 178.944 176.117 -0.027 0.000 1.053 398 I CA 1.942 63.257 61.300 0.024 0.000 1.311 398 I CB -1.959 35.999 38.000 -0.070 0.000 1.030 398 I HN 0.469 nan 8.210 nan 0.000 0.398 399 G N -0.962 107.780 108.800 -0.096 0.000 2.535 399 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 399 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 399 G C 1.692 176.521 174.900 -0.118 0.000 1.122 399 G CA 1.299 46.325 45.100 -0.124 0.000 0.769 399 G HN 0.359 nan 8.290 nan 0.000 0.549 400 T N -1.621 112.855 114.554 -0.130 0.000 3.010 400 T HA 0.153 4.504 4.350 0.000 0.000 0.252 400 T C 1.782 176.320 174.700 -0.270 0.000 1.047 400 T CA 0.473 62.423 62.100 -0.250 0.000 1.140 400 T CB 0.035 68.677 68.868 -0.377 0.000 0.885 400 T HN 0.401 nan 8.240 nan 0.000 0.464 401 Y N 0.412 120.701 120.300 -0.019 0.000 2.500 401 Y HA 0.360 4.910 4.550 0.000 0.000 0.284 401 Y C 0.126 176.028 175.900 0.004 0.000 1.118 401 Y CA -0.414 57.683 58.100 -0.005 0.000 1.241 401 Y CB 0.576 39.038 38.460 0.003 0.000 1.171 401 Y HN 0.086 nan 8.280 nan 0.000 0.540 402 L N -0.490 120.830 121.223 0.161 0.000 2.297 402 L HA 0.523 4.863 4.340 0.000 0.000 0.277 402 L C 0.136 177.048 176.870 0.070 0.000 1.040 402 L CA -0.513 54.394 54.840 0.112 0.000 0.867 402 L CB 1.117 43.246 42.059 0.117 0.000 1.244 402 L HN -0.255 nan 8.230 nan 0.000 0.433 403 K N 1.744 122.180 120.400 0.059 0.000 2.166 403 K HA 0.071 4.391 4.320 0.000 0.000 0.201 403 K C 0.826 177.452 176.600 0.043 0.000 1.052 403 K CA 0.904 57.212 56.287 0.035 0.000 0.969 403 K CB 0.073 32.589 32.500 0.025 0.000 0.761 403 K HN 0.803 nan 8.250 nan 0.000 0.459 404 N N 0.645 119.380 118.700 0.059 0.000 2.378 404 N HA 0.037 4.778 4.740 0.000 0.000 0.243 404 N C -0.472 175.093 175.510 0.091 0.000 1.137 404 N CA -0.073 53.017 53.050 0.067 0.000 0.862 404 N CB -0.188 38.336 38.487 0.061 0.000 1.116 404 N HN 0.023 nan 8.380 nan 0.000 0.499 405 L N 0.359 121.641 121.223 0.097 0.000 2.562 405 L HA -0.030 4.310 4.340 0.000 0.000 0.271 405 L C 0.323 177.276 176.870 0.138 0.000 1.167 405 L CA -0.061 54.858 54.840 0.132 0.000 0.917 405 L CB 0.342 42.478 42.059 0.128 0.000 1.187 405 L HN 0.408 nan 8.230 nan 0.000 0.482 406 C N 2.306 121.706 119.300 0.166 0.000 2.689 406 C HA 0.202 4.662 4.460 0.000 0.000 0.336 406 C C 0.620 175.742 174.990 0.220 0.000 1.304 406 C CA -0.161 58.961 59.018 0.172 0.000 1.860 406 C CB -0.045 27.792 27.740 0.161 0.000 2.405 406 C HN 0.735 nan 8.230 nan 0.000 0.557 407 D N -0.095 120.440 120.400 0.225 0.000 2.620 407 D HA 0.411 5.051 4.640 0.000 0.000 0.252 407 D C -1.653 174.716 176.300 0.115 0.000 1.207 407 D CA -0.109 54.011 54.000 0.199 0.000 0.884 407 D CB 1.092 42.024 40.800 0.220 0.000 1.262 407 D HN 0.209 nan 8.370 nan 0.000 0.552 408 F N 4.142 124.131 119.950 0.065 0.000 2.539 408 F HA 0.526 5.053 4.527 0.000 0.000 0.318 408 F C -1.069 174.715 175.800 -0.027 0.000 1.135 408 F CA -0.601 57.414 58.000 0.025 0.000 0.915 408 F CB 1.092 40.201 39.000 0.182 0.000 1.176 408 F HN 0.177 nan 8.300 nan 0.000 0.440 409 R N 7.124 127.108 120.500 -0.859 0.000 2.575 409 R HA 0.652 4.992 4.340 0.000 0.000 0.293 409 R C -2.072 173.727 176.300 -0.835 0.000 0.983 409 R CA -1.090 54.616 56.100 -0.656 0.000 0.887 409 R CB 2.488 32.590 30.300 -0.330 0.000 1.184 409 R HN 0.557 nan 8.270 nan 0.000 0.445 410 L N 3.577 124.444 121.223 -0.593 0.000 2.410 410 L HA 0.600 4.940 4.340 0.000 0.000 0.270 410 L C -1.470 175.162 176.870 -0.396 0.000 0.983 410 L CA -0.788 53.779 54.840 -0.455 0.000 0.822 410 L CB 2.279 44.228 42.059 -0.184 0.000 1.285 410 L HN 0.452 nan 8.230 nan 0.000 0.409 411 V N 5.721 125.386 119.914 -0.414 0.000 2.623 411 V HA 0.388 4.508 4.120 0.000 0.000 0.304 411 V C -0.462 175.526 176.094 -0.175 0.000 1.054 411 V CA -0.763 61.336 62.300 -0.336 0.000 0.882 411 V CB 2.123 33.538 31.823 -0.680 0.000 1.002 411 V HN 0.653 nan 8.190 nan 0.000 0.424 412 L N 4.830 126.014 121.223 -0.066 0.000 2.272 412 L HA 0.680 5.020 4.340 0.000 0.000 0.289 412 L C -0.513 176.385 176.870 0.045 0.000 1.032 412 L CA -0.120 54.711 54.840 -0.014 0.000 0.810 412 L CB 0.921 42.952 42.059 -0.047 0.000 1.205 412 L HN 0.302 nan 8.230 nan 0.000 0.422 413 L N 3.281 124.542 121.223 0.064 0.000 2.483 413 L HA 0.124 4.464 4.340 0.000 0.000 0.276 413 L C 0.956 177.841 176.870 0.024 0.000 1.213 413 L CA 0.512 55.390 54.840 0.063 0.000 0.843 413 L CB 0.079 42.171 42.059 0.055 0.000 1.107 413 L HN 0.728 nan 8.230 nan 0.000 0.487 414 D N 1.119 121.529 120.400 0.017 0.000 2.349 414 D HA -0.039 4.601 4.640 0.000 0.000 0.224 414 D C 1.827 178.121 176.300 -0.010 0.000 1.029 414 D CA 0.158 54.151 54.000 -0.012 0.000 0.879 414 D CB 0.234 41.022 40.800 -0.021 0.000 0.906 414 D HN 0.361 nan 8.370 nan 0.000 0.528 415 R N 1.262 121.762 120.500 -0.001 0.000 2.094 415 R HA -0.108 4.232 4.340 0.000 0.000 0.239 415 R C 0.469 176.765 176.300 -0.006 0.000 1.137 415 R CA 1.161 57.259 56.100 -0.003 0.000 0.943 415 R CB -0.150 30.150 30.300 -0.000 0.000 0.850 415 R HN 0.005 nan 8.270 nan 0.000 0.433 416 E N 0.954 121.151 120.200 -0.005 0.000 2.373 416 E HA -0.031 4.319 4.350 0.000 0.000 0.267 416 E C 0.726 177.319 176.600 -0.013 0.000 1.032 416 E CA 0.036 56.432 56.400 -0.007 0.000 0.889 416 E CB 0.896 30.594 29.700 -0.003 0.000 0.984 416 E HN 0.288 nan 8.360 nan 0.000 0.425 417 E N 2.120 122.313 120.200 -0.011 0.000 2.045 417 E HA -0.002 4.348 4.350 0.000 0.000 0.190 417 E C 0.216 176.807 176.600 -0.016 0.000 0.968 417 E CA 0.865 57.256 56.400 -0.015 0.000 0.813 417 E CB 0.142 29.835 29.700 -0.011 0.000 0.780 417 E HN 0.348 nan 8.360 nan 0.000 0.455 418 R N 0.699 121.194 120.500 -0.010 0.000 2.407 418 R HA 0.499 4.839 4.340 0.000 0.000 0.303 418 R C -0.528 175.770 176.300 -0.004 0.000 0.981 418 R CA -0.616 55.480 56.100 -0.007 0.000 0.905 418 R CB 1.158 31.456 30.300 -0.003 0.000 1.099 418 R HN -0.086 nan 8.270 nan 0.000 0.459 419 I N 2.074 122.642 120.570 -0.004 0.000 2.339 419 I HA 0.137 4.307 4.170 0.000 0.000 0.290 419 I C 1.143 177.265 176.117 0.008 0.000 0.994 419 I CA 0.058 61.359 61.300 0.002 0.000 1.191 419 I CB 1.725 39.724 38.000 -0.002 0.000 1.343 419 I HN 0.706 nan 8.210 nan 0.000 0.458 420 T N 3.438 117.999 114.554 0.012 0.000 2.152 420 T HA -0.279 4.071 4.350 0.000 0.000 0.194 420 T C 0.307 175.018 174.700 0.018 0.000 1.715 420 T CA 2.069 64.179 62.100 0.016 0.000 1.135 420 T CB -0.488 68.392 68.868 0.020 0.000 0.856 420 T HN 0.820 nan 8.240 nan 0.000 0.393 421 D N 0.938 121.353 120.400 0.025 0.000 2.256 421 D HA 0.446 5.086 4.640 0.000 0.000 0.240 421 D C 0.487 176.807 176.300 0.034 0.000 1.062 421 D CA -0.706 53.311 54.000 0.029 0.000 0.832 421 D CB 0.897 41.717 40.800 0.033 0.000 1.135 421 D HN 0.073 nan 8.370 nan 0.000 0.484 422 L N 3.368 124.610 121.223 0.031 0.000 2.228 422 L HA 0.364 4.704 4.340 0.000 0.000 0.196 422 L C -1.759 175.144 176.870 0.054 0.000 1.162 422 L CA 0.202 55.062 54.840 0.034 0.000 0.801 422 L CB -1.355 40.715 42.059 0.018 0.000 0.983 422 L HN 0.449 nan 8.230 nan 0.000 0.471 423 P HA -0.040 nan 4.420 nan 0.000 0.256 423 P C 0.191 177.550 177.300 0.098 0.000 1.173 423 P CA 1.026 64.168 63.100 0.071 0.000 0.768 423 P CB 0.078 31.811 31.700 0.054 0.000 0.758 424 L N 2.227 123.536 121.223 0.143 0.000 2.628 424 L HA 0.028 4.368 4.340 0.000 0.000 0.229 424 L C 1.291 178.272 176.870 0.185 0.000 1.137 424 L CA 0.096 55.046 54.840 0.183 0.000 0.909 424 L CB -0.338 41.894 42.059 0.288 0.000 1.137 424 L HN 0.260 nan 8.230 nan 0.000 0.470 425 D N 0.873 121.374 120.400 0.170 0.000 2.200 425 D HA -0.247 4.393 4.640 0.000 0.000 0.192 425 D C 1.571 178.052 176.300 0.302 0.000 1.008 425 D CA 1.496 55.630 54.000 0.224 0.000 0.872 425 D CB -0.102 40.788 40.800 0.150 0.000 0.923 425 D HN 0.373 nan 8.370 nan 0.000 0.447 426 N N -0.182 118.623 118.700 0.176 0.000 2.395 426 N HA 0.003 4.744 4.740 0.000 0.000 0.175 426 N C 1.929 177.433 175.510 -0.010 0.000 1.029 426 N CA 0.832 53.923 53.050 0.069 0.000 0.897 426 N CB -0.014 38.505 38.487 0.052 0.000 0.991 426 N HN 0.234 nan 8.380 nan 0.000 0.441 427 G N 1.507 110.332 108.800 0.040 0.000 2.404 427 G HA2 -0.132 3.828 3.960 0.000 0.000 0.214 427 G HA3 -0.132 3.828 3.960 0.000 0.000 0.214 427 G C 1.690 176.581 174.900 -0.016 0.000 1.189 427 G CA 0.724 45.839 45.100 0.024 0.000 0.789 427 G HN 0.118 nan 8.290 nan 0.000 0.533 428 V N 1.256 121.181 119.914 0.019 0.000 2.252 428 V HA -0.272 3.848 4.120 0.000 0.000 0.249 428 V C 2.746 178.729 176.094 -0.184 0.000 1.056 428 V CA 2.350 64.584 62.300 -0.109 0.000 1.022 428 V CB -0.710 31.026 31.823 -0.145 0.000 0.641 428 V HN 0.390 nan 8.190 nan 0.000 0.445 429 R N 0.894 121.294 120.500 -0.167 0.000 2.094 429 R HA -0.212 4.128 4.340 0.000 0.000 0.239 429 R C 2.558 178.593 176.300 -0.442 0.000 1.137 429 R CA 2.415 58.282 56.100 -0.387 0.000 0.943 429 R CB -0.497 29.441 30.300 -0.604 0.000 0.850 429 R HN 0.705 nan 8.270 nan 0.000 0.433 430 S N 1.348 116.856 115.700 -0.320 0.000 2.399 430 S HA -0.158 4.312 4.470 0.000 0.000 0.231 430 S C 1.965 176.416 174.600 -0.249 0.000 1.022 430 S CA 1.048 59.078 58.200 -0.282 0.000 0.983 430 S CB -0.506 62.575 63.200 -0.198 0.000 0.803 430 S HN 0.342 nan 8.310 nan 0.000 0.480 431 L N 2.283 123.368 121.223 -0.230 0.000 1.976 431 L HA 0.111 4.451 4.340 0.000 0.000 0.209 431 L C 2.118 178.830 176.870 -0.262 0.000 1.071 431 L CA 1.558 56.255 54.840 -0.239 0.000 0.746 431 L CB -1.338 40.565 42.059 -0.261 0.000 0.890 431 L HN 0.331 nan 8.230 nan 0.000 0.432 432 L N -0.704 120.335 121.223 -0.305 0.000 2.187 432 L HA -0.241 4.099 4.340 0.000 0.000 0.213 432 L C 2.507 179.259 176.870 -0.197 0.000 1.100 432 L CA 1.368 56.038 54.840 -0.283 0.000 0.765 432 L CB -0.434 41.459 42.059 -0.276 0.000 0.904 432 L HN 0.356 nan 8.230 nan 0.000 0.437 433 I N -1.069 119.347 120.570 -0.257 0.000 2.584 433 I HA -0.057 4.113 4.170 0.000 0.000 0.255 433 I C 2.544 178.569 176.117 -0.153 0.000 1.145 433 I CA 0.943 62.110 61.300 -0.223 0.000 1.462 433 I CB -0.649 37.127 38.000 -0.374 0.000 1.102 433 I HN 0.190 nan 8.210 nan 0.000 0.433 434 G N 0.840 109.543 108.800 -0.162 0.000 2.395 434 G HA2 -0.128 3.832 3.960 0.000 0.000 0.214 434 G HA3 -0.128 3.832 3.960 0.000 0.000 0.214 434 G C 0.682 175.530 174.900 -0.086 0.000 1.177 434 G CA 0.184 45.211 45.100 -0.123 0.000 0.794 434 G HN 0.426 nan 8.290 nan 0.000 0.532 435 C N 2.248 121.492 119.300 -0.093 0.000 2.158 435 C HA 0.417 4.877 4.460 0.000 0.000 0.350 435 C C 1.324 176.290 174.990 -0.041 0.000 1.064 435 C CA -1.144 57.843 59.018 -0.053 0.000 1.507 435 C CB -0.514 27.194 27.740 -0.054 0.000 1.934 435 C HN 0.588 nan 8.230 nan 0.000 0.479 436 K N 0.847 121.234 120.400 -0.022 0.000 2.417 436 K HA 0.108 4.428 4.320 0.000 0.000 0.196 436 K C 0.933 177.539 176.600 0.011 0.000 1.023 436 K CA 0.231 56.511 56.287 -0.012 0.000 1.122 436 K CB 0.178 32.672 32.500 -0.011 0.000 0.850 436 K HN 0.532 nan 8.250 nan 0.000 0.521 437 K N 0.765 121.180 120.400 0.025 0.000 2.374 437 K HA 0.127 4.447 4.320 0.000 0.000 0.196 437 K C -0.058 176.584 176.600 0.070 0.000 1.023 437 K CA -0.365 55.950 56.287 0.047 0.000 1.103 437 K CB 0.200 32.732 32.500 0.052 0.000 0.848 437 K HN 0.022 nan 8.250 nan 0.000 0.528 438 L N 1.922 123.184 121.223 0.065 0.000 2.584 438 L HA -0.069 4.271 4.340 0.000 0.000 0.272 438 L C 1.078 178.023 176.870 0.125 0.000 1.195 438 L CA 0.884 55.787 54.840 0.105 0.000 0.920 438 L CB 0.214 42.312 42.059 0.066 0.000 1.173 438 L HN 0.041 nan 8.230 nan 0.000 0.489 439 R N 3.241 123.847 120.500 0.177 0.000 2.257 439 R HA 0.276 4.616 4.340 0.000 0.000 0.195 439 R C -0.201 176.269 176.300 0.283 0.000 0.921 439 R CA 0.016 56.231 56.100 0.191 0.000 1.069 439 R CB 0.494 30.893 30.300 0.165 0.000 1.115 439 R HN 0.528 nan 8.270 nan 0.000 0.571 440 R N 0.358 121.075 120.500 0.361 0.000 2.621 440 R HA 0.387 4.727 4.340 0.000 0.000 0.292 440 R C -1.549 175.072 176.300 0.536 0.000 0.969 440 R CA -0.652 55.786 56.100 0.563 0.000 0.887 440 R CB 2.173 32.870 30.300 0.662 0.000 1.180 440 R HN -0.122 nan 8.270 nan 0.000 0.450 441 F N 1.393 121.463 119.950 0.199 0.000 2.588 441 F HA 0.642 5.169 4.527 0.000 0.000 0.318 441 F C -1.732 173.989 175.800 -0.131 0.000 1.155 441 F CA -0.424 57.640 58.000 0.107 0.000 0.967 441 F CB 1.905 40.965 39.000 0.100 0.000 1.236 441 F HN 0.721 nan 8.300 nan 0.000 0.455 442 A N 5.296 127.692 122.820 -0.707 0.000 2.371 442 A HA 0.831 5.151 4.320 0.000 0.000 0.311 442 A C -2.291 174.962 177.584 -0.552 0.000 1.068 442 A CA -0.499 51.166 52.037 -0.620 0.000 0.744 442 A CB 1.078 19.902 19.000 -0.295 0.000 1.239 442 A HN 0.731 nan 8.150 nan 0.000 0.435 443 F N 2.085 121.715 119.950 -0.533 0.000 3.034 443 F HA 0.422 4.949 4.527 0.000 0.000 0.371 443 F C -1.563 174.182 175.800 -0.092 0.000 1.233 443 F CA -0.455 57.363 58.000 -0.304 0.000 1.134 443 F CB 1.242 40.099 39.000 -0.239 0.000 1.495 443 F HN 0.585 nan 8.300 nan 0.000 0.563 444 Y N 6.751 126.860 120.300 -0.319 0.000 2.345 444 Y HA 0.708 5.258 4.550 0.000 0.000 0.331 444 Y C -1.127 174.657 175.900 -0.192 0.000 0.959 444 Y CA -0.519 57.470 58.100 -0.185 0.000 1.204 444 Y CB 0.733 39.090 38.460 -0.172 0.000 1.135 444 Y HN 0.469 nan 8.280 nan 0.000 0.477 445 L N 3.976 125.143 121.223 -0.094 0.000 2.343 445 L HA 0.646 4.987 4.340 0.000 0.000 0.264 445 L C -0.201 176.650 176.870 -0.032 0.000 1.050 445 L CA -1.426 53.377 54.840 -0.063 0.000 0.956 445 L CB 1.282 43.278 42.059 -0.104 0.000 1.576 445 L HN 0.411 nan 8.230 nan 0.000 0.521 446 R N -0.541 119.887 120.500 -0.120 0.000 2.700 446 R HA 0.201 4.541 4.340 0.000 0.000 0.253 446 R C 0.737 176.919 176.300 -0.195 0.000 1.091 446 R CA -0.602 55.319 56.100 -0.298 0.000 1.104 446 R CB 1.111 31.288 30.300 -0.206 0.000 1.202 446 R HN 0.480 nan 8.270 nan 0.000 0.532 447 Q N 0.732 120.389 119.800 -0.239 0.000 2.014 447 Q HA -0.103 4.237 4.340 0.000 0.000 0.207 447 Q C 1.635 177.619 176.000 -0.027 0.000 0.993 447 Q CA 2.441 58.198 55.803 -0.077 0.000 0.850 447 Q CB -0.887 27.808 28.738 -0.071 0.000 0.916 447 Q HN 0.923 nan 8.270 nan 0.000 0.417 448 G N -0.446 108.332 108.800 -0.036 0.000 2.653 448 G HA2 -0.091 3.869 3.960 0.000 0.000 0.212 448 G HA3 -0.091 3.869 3.960 0.000 0.000 0.212 448 G C 1.309 176.216 174.900 0.012 0.000 1.138 448 G CA 0.739 45.834 45.100 -0.009 0.000 0.782 448 G HN 0.499 nan 8.290 nan 0.000 0.535 449 G N -0.261 108.547 108.800 0.013 0.000 2.442 449 G HA2 0.062 4.022 3.960 0.000 0.000 0.219 449 G HA3 0.062 4.022 3.960 0.000 0.000 0.219 449 G C 0.320 175.281 174.900 0.101 0.000 1.141 449 G CA 0.631 45.757 45.100 0.042 0.000 0.763 449 G HN 0.428 nan 8.290 nan 0.000 0.554 450 L N 0.256 121.538 121.223 0.099 0.000 2.493 450 L HA 0.475 4.815 4.340 0.000 0.000 0.265 450 L C 0.104 177.017 176.870 0.071 0.000 0.954 450 L CA -0.483 54.428 54.840 0.119 0.000 0.844 450 L CB 2.207 44.379 42.059 0.188 0.000 1.302 450 L HN 0.145 nan 8.230 nan 0.000 0.405 451 T N -1.138 113.442 114.554 0.043 0.000 2.918 451 T HA 0.293 4.643 4.350 0.000 0.000 0.283 451 T C 0.648 175.345 174.700 -0.004 0.000 1.001 451 T CA -0.453 61.657 62.100 0.016 0.000 1.041 451 T CB 0.921 69.787 68.868 -0.005 0.000 1.028 451 T HN 0.583 nan 8.240 nan 0.000 0.511 452 D N 0.528 120.931 120.400 0.005 0.000 2.203 452 D HA -0.133 4.507 4.640 0.000 0.000 0.199 452 D C 1.894 178.142 176.300 -0.087 0.000 0.997 452 D CA 0.712 54.709 54.000 -0.004 0.000 0.863 452 D CB -0.235 40.571 40.800 0.010 0.000 0.928 452 D HN 0.434 nan 8.370 nan 0.000 0.458 453 L N 0.630 121.762 121.223 -0.152 0.000 2.017 453 L HA -0.095 4.245 4.340 0.000 0.000 0.208 453 L C 2.177 178.664 176.870 -0.639 0.000 1.073 453 L CA 2.144 56.781 54.840 -0.338 0.000 0.745 453 L CB -1.039 40.846 42.059 -0.289 0.000 0.894 453 L HN 0.116 nan 8.230 nan 0.000 0.432 454 G N 0.060 108.617 108.800 -0.405 0.000 2.421 454 G HA2 -0.280 3.680 3.960 0.000 0.000 0.216 454 G HA3 -0.280 3.680 3.960 0.000 0.000 0.216 454 G C 1.696 176.560 174.900 -0.059 0.000 1.171 454 G CA 0.770 45.720 45.100 -0.250 0.000 0.775 454 G HN 0.396 nan 8.290 nan 0.000 0.543 455 L N 1.359 122.573 121.223 -0.015 0.000 2.013 455 L HA -0.205 4.135 4.340 0.000 0.000 0.212 455 L C 3.308 180.263 176.870 0.142 0.000 1.073 455 L CA 2.194 57.072 54.840 0.063 0.000 0.753 455 L CB -0.339 41.748 42.059 0.046 0.000 0.890 455 L HN 0.472 nan 8.230 nan 0.000 0.432 456 S N -1.624 114.110 115.700 0.058 0.000 2.442 456 S HA -0.236 4.234 4.470 0.000 0.000 0.236 456 S C 1.884 176.592 174.600 0.180 0.000 1.007 456 S CA 0.835 59.091 58.200 0.094 0.000 0.965 456 S CB -0.837 62.366 63.200 0.006 0.000 0.773 456 S HN 0.555 nan 8.310 nan 0.000 0.504 457 Y N 1.251 121.619 120.300 0.113 0.000 2.181 457 Y HA -0.075 4.475 4.550 0.000 0.000 0.288 457 Y C 2.424 178.428 175.900 0.173 0.000 1.146 457 Y CA 0.999 59.210 58.100 0.185 0.000 1.164 457 Y CB -0.302 38.245 38.460 0.145 0.000 0.982 457 Y HN 0.288 nan 8.280 nan 0.000 0.515 458 I N -0.385 120.352 120.570 0.279 0.000 2.142 458 I HA -0.283 3.887 4.170 0.000 0.000 0.240 458 I C 2.736 178.933 176.117 0.133 0.000 1.078 458 I CA 1.458 62.853 61.300 0.160 0.000 1.343 458 I CB -0.935 37.190 38.000 0.209 0.000 1.046 458 I HN 0.233 nan 8.210 nan 0.000 0.405 459 G N -0.274 108.626 108.800 0.167 0.000 2.476 459 G HA2 -0.329 3.631 3.960 0.000 0.000 0.218 459 G HA3 -0.329 3.631 3.960 0.000 0.000 0.218 459 G C 1.591 176.390 174.900 -0.168 0.000 1.164 459 G CA 0.767 45.767 45.100 -0.166 0.000 0.768 459 G HN 0.400 nan 8.290 nan 0.000 0.560 460 Q N -1.101 118.621 119.800 -0.130 0.000 2.167 460 Q HA -0.021 4.319 4.340 0.000 0.000 0.202 460 Q C 0.935 176.624 176.000 -0.519 0.000 0.970 460 Q CA 0.879 56.471 55.803 -0.352 0.000 0.855 460 Q CB -0.005 28.474 28.738 -0.431 0.000 0.911 460 Q HN 0.697 nan 8.270 nan 0.000 0.438 461 Y N -0.827 119.424 120.300 -0.081 0.000 2.720 461 Y HA 0.221 4.771 4.550 0.000 0.000 0.268 461 Y C -0.197 175.614 175.900 -0.149 0.000 1.142 461 Y CA -0.529 57.499 58.100 -0.120 0.000 1.193 461 Y CB 1.116 39.486 38.460 -0.151 0.000 1.176 461 Y HN -0.023 nan 8.280 nan 0.000 0.542 462 S N -0.636 115.034 115.700 -0.051 0.000 2.060 462 S HA 0.263 4.733 4.470 0.000 0.000 0.156 462 S C -2.239 172.328 174.600 -0.055 0.000 1.690 462 S CA -1.216 56.938 58.200 -0.076 0.000 1.238 462 S CB 0.855 63.981 63.200 -0.123 0.000 1.150 462 S HN 0.052 nan 8.310 nan 0.000 0.437 463 P HA 0.016 nan 4.420 nan 0.000 0.222 463 P C 0.368 177.665 177.300 -0.005 0.000 1.153 463 P CA 0.881 63.961 63.100 -0.033 0.000 0.798 463 P CB 0.131 31.815 31.700 -0.026 0.000 0.796 464 N N -0.738 117.968 118.700 0.011 0.000 2.282 464 N HA 0.051 4.791 4.740 0.000 0.000 0.185 464 N C 0.173 175.726 175.510 0.072 0.000 1.099 464 N CA 0.101 53.174 53.050 0.039 0.000 0.878 464 N CB 0.315 38.827 38.487 0.042 0.000 0.993 464 N HN -0.015 nan 8.380 nan 0.000 0.481 465 V N 2.142 122.099 119.914 0.071 0.000 2.450 465 V HA 0.037 4.157 4.120 0.000 0.000 0.281 465 V C 1.349 177.533 176.094 0.150 0.000 1.019 465 V CA 0.338 62.715 62.300 0.127 0.000 1.062 465 V CB 0.798 32.690 31.823 0.116 0.000 0.979 465 V HN 0.053 nan 8.190 nan 0.000 0.477 466 R N 3.018 123.641 120.500 0.205 0.000 2.189 466 R HA 0.133 4.473 4.340 0.000 0.000 0.203 466 R C 0.065 176.559 176.300 0.324 0.000 1.012 466 R CA 0.261 56.494 56.100 0.223 0.000 1.015 466 R CB 0.417 30.837 30.300 0.201 0.000 0.938 466 R HN 0.753 nan 8.270 nan 0.000 0.472 467 W N 0.662 122.055 121.300 0.154 0.000 2.739 467 W HA 0.557 5.217 4.660 0.000 0.000 0.331 467 W C -1.593 175.056 176.519 0.217 0.000 1.049 467 W CA -0.790 56.655 57.345 0.167 0.000 1.234 467 W CB 1.112 30.644 29.460 0.121 0.000 1.404 467 W HN -0.253 nan 8.180 nan 0.000 0.477 468 M N 6.977 126.207 119.600 -0.617 0.000 2.393 468 M HA 0.379 4.859 4.480 0.000 0.000 0.299 468 M C -1.545 174.202 176.300 -0.922 0.000 1.103 468 M CA -1.242 53.636 55.300 -0.703 0.000 0.910 468 M CB 2.022 34.592 32.600 -0.050 0.000 1.659 468 M HN 0.395 nan 8.290 nan 0.000 0.445 469 L N 5.389 126.050 121.223 -0.937 0.000 2.316 469 L HA 0.625 4.965 4.340 0.000 0.000 0.280 469 L C -1.860 174.889 176.870 -0.202 0.000 1.006 469 L CA -0.209 54.391 54.840 -0.400 0.000 0.836 469 L CB 0.908 42.843 42.059 -0.207 0.000 1.221 469 L HN 0.645 nan 8.230 nan 0.000 0.418 470 L N 5.674 126.833 121.223 -0.107 0.000 2.296 470 L HA 0.587 4.927 4.340 0.000 0.000 0.286 470 L C 1.121 177.879 176.870 -0.188 0.000 1.023 470 L CA -0.466 54.318 54.840 -0.093 0.000 0.812 470 L CB 1.555 43.547 42.059 -0.113 0.000 1.223 470 L HN 0.788 nan 8.230 nan 0.000 0.421 471 G N 1.595 110.228 108.800 -0.278 0.000 2.679 471 G HA2 -0.134 3.826 3.960 0.000 0.000 0.185 471 G HA3 -0.134 3.826 3.960 0.000 0.000 0.185 471 G C 0.086 174.566 174.900 -0.701 0.000 1.656 471 G CA 0.382 44.978 45.100 -0.840 0.000 0.892 471 G HN 0.549 nan 8.290 nan 0.000 0.389 472 Y N 0.879 120.881 120.300 -0.497 0.000 2.801 472 Y HA 0.353 4.903 4.550 0.000 0.000 0.318 472 Y C 1.112 176.892 175.900 -0.199 0.000 1.073 472 Y CA -0.970 56.932 58.100 -0.330 0.000 1.360 472 Y CB -0.000 38.295 38.460 -0.274 0.000 1.220 472 Y HN 0.238 nan 8.280 nan 0.000 0.536 473 V N -1.104 118.780 119.914 -0.050 0.000 3.237 473 V HA 0.788 4.909 4.120 0.000 0.000 0.305 473 V C 0.810 176.924 176.094 0.033 0.000 1.096 473 V CA -0.103 62.224 62.300 0.045 0.000 1.130 473 V CB 0.406 32.281 31.823 0.086 0.000 1.048 473 V HN 0.612 nan 8.190 nan 0.000 0.484 474 G N 2.833 111.690 108.800 0.095 0.000 2.829 474 G HA2 -0.145 3.815 3.960 0.000 0.000 0.628 474 G HA3 -0.145 3.815 3.960 0.000 0.000 0.628 474 G C -0.189 174.745 174.900 0.057 0.000 1.412 474 G CA 0.385 45.567 45.100 0.137 0.000 0.864 474 G HN 1.094 nan 8.290 nan 0.000 0.544 475 E N -0.700 119.551 120.200 0.085 0.000 2.444 475 E HA 0.324 4.674 4.350 0.000 0.000 0.209 475 E C 1.061 177.699 176.600 0.063 0.000 0.806 475 E CA 0.557 56.982 56.400 0.041 0.000 1.240 475 E CB 0.942 30.661 29.700 0.033 0.000 1.238 475 E HN 1.073 nan 8.360 nan 0.000 0.591 476 S N 0.023 115.808 115.700 0.142 0.000 2.671 476 S HA 0.201 4.671 4.470 0.000 0.000 0.277 476 S C -0.423 174.351 174.600 0.289 0.000 1.165 476 S CA -0.690 57.614 58.200 0.173 0.000 0.822 476 S CB 1.490 64.746 63.200 0.093 0.000 1.150 476 S HN -0.146 nan 8.310 nan 0.000 0.479 477 D N 0.976 121.523 120.400 0.245 0.000 2.265 477 D HA -0.070 4.570 4.640 0.000 0.000 0.208 477 D C 1.537 177.831 176.300 -0.009 0.000 0.977 477 D CA 1.139 55.216 54.000 0.128 0.000 0.871 477 D CB -0.141 40.713 40.800 0.091 0.000 0.925 477 D HN 0.584 nan 8.370 nan 0.000 0.485 478 E N 0.407 120.626 120.200 0.031 0.000 2.114 478 E HA -0.187 4.164 4.350 0.000 0.000 0.199 478 E C 2.284 178.875 176.600 -0.016 0.000 1.008 478 E CA 1.402 57.803 56.400 0.003 0.000 0.810 478 E CB -0.436 29.273 29.700 0.016 0.000 0.739 478 E HN 0.479 nan 8.360 nan 0.000 0.456 479 G N 1.264 110.070 108.800 0.010 0.000 2.404 479 G HA2 -0.220 3.740 3.960 0.000 0.000 0.215 479 G HA3 -0.220 3.740 3.960 0.000 0.000 0.215 479 G C 1.607 176.453 174.900 -0.089 0.000 1.174 479 G CA 0.595 45.697 45.100 0.003 0.000 0.780 479 G HN 0.197 nan 8.290 nan 0.000 0.537 480 L N 0.439 121.447 121.223 -0.358 0.000 2.012 480 L HA 0.035 4.375 4.340 0.000 0.000 0.210 480 L C 2.680 179.457 176.870 -0.155 0.000 1.073 480 L CA 2.011 56.525 54.840 -0.543 0.000 0.748 480 L CB -0.373 40.947 42.059 -1.233 0.000 0.891 480 L HN 0.262 nan 8.230 nan 0.000 0.431 481 M N -1.248 118.269 119.600 -0.139 0.000 2.117 481 M HA -0.193 4.287 4.480 0.000 0.000 0.262 481 M C 2.076 178.359 176.300 -0.029 0.000 1.065 481 M CA 1.712 56.971 55.300 -0.068 0.000 1.114 481 M CB -0.284 32.279 32.600 -0.061 0.000 1.361 481 M HN 0.290 nan 8.290 nan 0.000 0.408 482 E N 0.035 120.227 120.200 -0.013 0.000 2.085 482 E HA -0.220 4.130 4.350 0.000 0.000 0.194 482 E C 1.721 178.336 176.600 0.025 0.000 0.994 482 E CA 1.352 57.751 56.400 -0.002 0.000 0.801 482 E CB -0.759 28.941 29.700 -0.002 0.000 0.743 482 E HN 0.605 nan 8.360 nan 0.000 0.453 483 F N 2.117 122.010 119.950 -0.095 0.000 2.095 483 F HA -0.252 4.275 4.527 0.000 0.000 0.298 483 F C 2.533 178.285 175.800 -0.080 0.000 1.104 483 F CA 2.076 60.027 58.000 -0.081 0.000 1.232 483 F CB -0.511 38.433 39.000 -0.094 0.000 0.987 483 F HN 0.024 nan 8.300 nan 0.000 0.475 484 S N 1.236 116.879 115.700 -0.094 0.000 2.469 484 S HA -0.237 4.233 4.470 0.000 0.000 0.238 484 S C 1.891 176.366 174.600 -0.208 0.000 0.998 484 S CA 0.921 59.006 58.200 -0.191 0.000 0.957 484 S CB -0.952 62.215 63.200 -0.056 0.000 0.764 484 S HN 0.720 nan 8.310 nan 0.000 0.514 485 R N 0.636 121.035 120.500 -0.168 0.000 2.313 485 R HA 0.370 4.710 4.340 0.000 0.000 0.199 485 R C 1.222 177.416 176.300 -0.177 0.000 0.958 485 R CA 0.466 56.480 56.100 -0.143 0.000 1.047 485 R CB -0.391 29.850 30.300 -0.098 0.000 0.955 485 R HN 0.389 nan 8.270 nan 0.000 0.481 486 G N 0.267 108.910 108.800 -0.262 0.000 3.019 486 G HA2 0.277 4.237 3.960 0.000 0.000 0.152 486 G HA3 0.277 4.237 3.960 0.000 0.000 0.152 486 G C -0.580 174.139 174.900 -0.302 0.000 1.320 486 G CA -0.196 44.743 45.100 -0.267 0.000 1.013 486 G HN 0.317 nan 8.290 nan 0.000 0.593 487 C N 0.661 119.782 119.300 -0.299 0.000 3.442 487 C HA -0.090 4.370 4.460 0.000 0.000 0.288 487 C C -0.814 174.090 174.990 -0.144 0.000 1.238 487 C CA -0.312 58.558 59.018 -0.246 0.000 2.320 487 C CB -2.029 25.471 27.740 -0.400 0.000 1.459 487 C HN 0.549 nan 8.230 nan 0.000 0.544 488 P HA -0.121 nan 4.420 nan 0.000 0.215 488 P C 0.814 178.101 177.300 -0.022 0.000 1.153 488 P CA 1.750 64.813 63.100 -0.061 0.000 0.853 488 P CB 0.042 31.711 31.700 -0.051 0.000 0.788 489 N N -1.505 117.193 118.700 -0.003 0.000 2.234 489 N HA 0.139 4.879 4.740 0.000 0.000 0.227 489 N C -0.193 175.361 175.510 0.073 0.000 1.151 489 N CA -0.334 52.739 53.050 0.039 0.000 0.865 489 N CB 0.259 38.773 38.487 0.046 0.000 1.066 489 N HN 0.047 nan 8.380 nan 0.000 0.515 490 L N 1.743 123.002 121.223 0.059 0.000 2.477 490 L HA 0.009 4.349 4.340 0.000 0.000 0.272 490 L C 0.816 177.781 176.870 0.158 0.000 1.157 490 L CA 0.814 55.720 54.840 0.110 0.000 0.889 490 L CB 0.915 43.018 42.059 0.073 0.000 1.158 490 L HN 0.328 nan 8.230 nan 0.000 0.473 491 Q N 3.142 123.070 119.800 0.214 0.000 2.462 491 Q HA 0.104 4.444 4.340 0.000 0.000 0.224 491 Q C 0.025 176.223 176.000 0.330 0.000 0.911 491 Q CA 0.372 56.327 55.803 0.254 0.000 0.925 491 Q CB 0.875 29.751 28.738 0.230 0.000 1.063 491 Q HN 0.479 nan 8.270 nan 0.000 0.572 492 K N 0.962 121.578 120.400 0.360 0.000 2.345 492 K HA 0.426 4.746 4.320 0.000 0.000 0.255 492 K C -1.885 174.964 176.600 0.416 0.000 0.934 492 K CA -0.549 56.015 56.287 0.461 0.000 0.801 492 K CB 1.365 34.134 32.500 0.448 0.000 1.137 492 K HN -0.083 nan 8.250 nan 0.000 0.424 493 L N 3.505 124.981 121.223 0.421 0.000 2.406 493 L HA 0.434 4.774 4.340 0.000 0.000 0.272 493 L C -1.595 175.472 176.870 0.329 0.000 0.980 493 L CA -0.007 55.003 54.840 0.284 0.000 0.831 493 L CB 1.830 44.046 42.059 0.261 0.000 1.253 493 L HN 0.701 nan 8.230 nan 0.000 0.406 494 E N 6.372 126.725 120.200 0.255 0.000 2.185 494 E HA 0.625 4.975 4.350 0.000 0.000 0.261 494 E C -1.314 175.396 176.600 0.184 0.000 0.879 494 E CA -0.397 56.239 56.400 0.394 0.000 0.756 494 E CB 1.832 31.853 29.700 0.536 0.000 1.152 494 E HN 0.590 nan 8.360 nan 0.000 0.416 495 M N 3.078 122.730 119.600 0.087 0.000 2.327 495 M HA 0.516 4.996 4.480 0.000 0.000 0.298 495 M C -0.534 175.688 176.300 -0.130 0.000 1.065 495 M CA -0.847 54.429 55.300 -0.039 0.000 0.916 495 M CB 2.537 35.103 32.600 -0.057 0.000 1.630 495 M HN 0.363 nan 8.290 nan 0.000 0.442 496 R N 0.962 121.368 120.500 -0.158 0.000 2.771 496 R HA 0.793 5.133 4.340 0.000 0.000 0.274 496 R C 0.074 176.084 176.300 -0.483 0.000 0.987 496 R CA -0.062 55.910 56.100 -0.214 0.000 0.908 496 R CB 1.985 32.285 30.300 0.000 0.000 1.213 496 R HN 0.938 nan 8.270 nan 0.000 0.468 497 G N 1.163 109.675 108.800 -0.480 0.000 2.314 497 G HA2 -0.249 3.711 3.960 0.000 0.000 0.292 497 G HA3 -0.249 3.711 3.960 0.000 0.000 0.292 497 G C -0.377 173.981 174.900 -0.903 0.000 1.059 497 G CA 0.302 44.896 45.100 -0.844 0.000 0.982 497 G HN 0.617 nan 8.290 nan 0.000 0.505 498 C N -1.066 117.914 119.300 -0.533 0.000 2.562 498 C HA 0.637 5.098 4.460 0.000 0.000 0.332 498 C C 1.935 176.612 174.990 -0.522 0.000 1.201 498 C CA -0.111 58.541 59.018 -0.610 0.000 1.803 498 C CB 1.375 28.720 27.740 -0.658 0.000 2.328 498 C HN 1.073 nan 8.230 nan 0.000 0.500 499 C N -1.013 117.848 119.300 -0.731 0.000 2.693 499 C HA 0.434 4.894 4.460 0.000 0.000 0.286 499 C C 0.390 175.217 174.990 -0.272 0.000 1.277 499 C CA -0.651 58.127 59.018 -0.400 0.000 1.705 499 C CB -2.522 25.047 27.740 -0.285 0.000 1.879 499 C HN 0.650 nan 8.230 nan 0.000 0.607 500 F N 2.701 122.646 119.950 -0.007 0.000 2.378 500 F HA 0.453 4.980 4.527 0.000 0.000 0.319 500 F C 1.226 177.057 175.800 0.052 0.000 1.155 500 F CA -0.303 57.701 58.000 0.008 0.000 1.157 500 F CB 0.685 39.676 39.000 -0.015 0.000 1.252 500 F HN 0.201 nan 8.300 nan 0.000 0.550 501 S N -0.300 115.554 115.700 0.257 0.000 2.690 501 S HA 0.285 4.755 4.470 0.000 0.000 0.291 501 S C 0.603 175.309 174.600 0.176 0.000 1.138 501 S CA -0.843 57.466 58.200 0.182 0.000 1.013 501 S CB 1.587 64.858 63.200 0.118 0.000 1.053 501 S HN 0.723 nan 8.310 nan 0.000 0.539 502 E N 1.152 121.464 120.200 0.186 0.000 2.033 502 E HA -0.234 4.117 4.350 0.000 0.000 0.199 502 E C 2.280 178.919 176.600 0.065 0.000 1.011 502 E CA 1.496 57.977 56.400 0.136 0.000 0.815 502 E CB -0.259 29.531 29.700 0.150 0.000 0.755 502 E HN 0.702 nan 8.360 nan 0.000 0.451 503 R N 1.380 121.915 120.500 0.058 0.000 2.152 503 R HA -0.049 4.291 4.340 0.000 0.000 0.232 503 R C 1.919 178.228 176.300 0.015 0.000 1.117 503 R CA 1.414 57.532 56.100 0.030 0.000 0.981 503 R CB -0.368 29.947 30.300 0.026 0.000 0.870 503 R HN 0.139 nan 8.270 nan 0.000 0.451 504 A N 2.219 125.056 122.820 0.028 0.000 1.872 504 A HA 0.002 4.322 4.320 0.000 0.000 0.214 504 A C 2.409 179.970 177.584 -0.039 0.000 1.187 504 A CA 1.139 53.174 52.037 -0.003 0.000 0.614 504 A CB -0.270 18.748 19.000 0.030 0.000 0.826 504 A HN 0.241 nan 8.150 nan 0.000 0.442 505 I N 0.082 120.645 120.570 -0.011 0.000 2.099 505 I HA -0.285 3.885 4.170 0.000 0.000 0.239 505 I C 3.010 179.109 176.117 -0.030 0.000 1.066 505 I CA 1.640 62.921 61.300 -0.031 0.000 1.324 505 I CB -1.478 36.497 38.000 -0.041 0.000 1.037 505 I HN 0.367 nan 8.210 nan 0.000 0.401 506 A N 1.005 123.813 122.820 -0.020 0.000 1.948 506 A HA -0.174 4.146 4.320 0.000 0.000 0.220 506 A C 2.578 180.134 177.584 -0.047 0.000 1.177 506 A CA 2.233 54.257 52.037 -0.022 0.000 0.636 506 A CB -0.776 18.220 19.000 -0.007 0.000 0.815 506 A HN 0.488 nan 8.150 nan 0.000 0.449 507 A N -0.188 122.607 122.820 -0.041 0.000 1.877 507 A HA 0.167 4.487 4.320 0.000 0.000 0.216 507 A C 2.536 180.083 177.584 -0.062 0.000 1.186 507 A CA 2.141 54.148 52.037 -0.050 0.000 0.620 507 A CB -1.118 17.857 19.000 -0.042 0.000 0.822 507 A HN 1.133 nan 8.150 nan 0.000 0.443 508 A N -0.677 122.108 122.820 -0.059 0.000 1.933 508 A HA -0.000 4.320 4.320 0.000 0.000 0.218 508 A C 2.208 179.763 177.584 -0.047 0.000 1.175 508 A CA 1.747 53.755 52.037 -0.048 0.000 0.628 508 A CB -0.882 18.097 19.000 -0.035 0.000 0.814 508 A HN 0.387 nan 8.150 nan 0.000 0.444 509 V N -0.213 119.666 119.914 -0.059 0.000 2.407 509 V HA -0.223 3.897 4.120 0.000 0.000 0.248 509 V C 2.741 178.730 176.094 -0.176 0.000 1.055 509 V CA 2.462 64.699 62.300 -0.105 0.000 1.049 509 V CB -1.089 30.656 31.823 -0.130 0.000 0.662 509 V HN 0.635 nan 8.190 nan 0.000 0.455 510 T N -0.806 113.655 114.554 -0.155 0.000 2.777 510 T HA -0.209 4.141 4.350 0.000 0.000 0.266 510 T C 1.957 176.592 174.700 -0.108 0.000 1.040 510 T CA 1.413 63.423 62.100 -0.149 0.000 1.141 510 T CB -0.177 68.624 68.868 -0.113 0.000 0.868 510 T HN 0.375 nan 8.240 nan 0.000 0.444 511 K N 0.262 120.607 120.400 -0.090 0.000 2.211 511 K HA 0.106 4.426 4.320 0.000 0.000 0.203 511 K C 0.223 176.772 176.600 -0.084 0.000 1.050 511 K CA 0.399 56.637 56.287 -0.081 0.000 0.945 511 K CB -0.213 32.240 32.500 -0.079 0.000 0.732 511 K HN 0.301 nan 8.250 nan 0.000 0.451 512 L N 2.631 123.804 121.223 -0.084 0.000 2.369 512 L HA 0.068 4.408 4.340 0.000 0.000 0.279 512 L C -1.365 175.481 176.870 -0.040 0.000 1.108 512 L CA -1.292 53.506 54.840 -0.070 0.000 0.852 512 L CB 0.652 42.684 42.059 -0.045 0.000 1.169 512 L HN 0.064 nan 8.230 nan 0.000 0.452 513 P HA -0.112 nan 4.420 nan 0.000 0.216 513 P C 1.100 178.423 177.300 0.038 0.000 1.153 513 P CA 1.033 64.129 63.100 -0.006 0.000 0.848 513 P CB 0.450 32.139 31.700 -0.018 0.000 0.787 514 S N -1.067 114.665 115.700 0.053 0.000 2.511 514 S HA 0.125 4.595 4.470 0.000 0.000 0.214 514 S C 0.779 175.483 174.600 0.173 0.000 0.997 514 S CA -0.498 57.763 58.200 0.102 0.000 0.908 514 S CB -0.519 62.732 63.200 0.085 0.000 0.803 514 S HN -0.002 nan 8.310 nan 0.000 0.504 515 L N 3.582 124.902 121.223 0.161 0.000 2.513 515 L HA 0.111 4.451 4.340 0.000 0.000 0.272 515 L C 0.975 178.069 176.870 0.374 0.000 1.187 515 L CA 0.638 55.618 54.840 0.234 0.000 0.895 515 L CB 0.463 42.619 42.059 0.161 0.000 1.147 515 L HN 0.200 nan 8.230 nan 0.000 0.483 516 R N 3.150 123.939 120.500 0.481 0.000 2.531 516 R HA 0.230 4.570 4.340 0.000 0.000 0.316 516 R C -0.780 175.898 176.300 0.630 0.000 0.955 516 R CA -0.454 56.035 56.100 0.649 0.000 1.120 516 R CB 0.130 30.787 30.300 0.595 0.000 1.361 516 R HN 0.494 nan 8.270 nan 0.000 0.534 517 Y N 0.669 121.213 120.300 0.407 0.000 2.399 517 Y HA 0.523 5.073 4.550 0.000 0.000 0.327 517 Y C -2.140 173.956 175.900 0.326 0.000 1.111 517 Y CA -1.469 56.824 58.100 0.322 0.000 1.047 517 Y CB 2.158 40.788 38.460 0.284 0.000 1.259 517 Y HN 0.045 nan 8.280 nan 0.000 0.434 518 L N 7.598 128.878 121.223 0.095 0.000 2.439 518 L HA 0.552 4.892 4.340 0.000 0.000 0.270 518 L C -2.067 174.833 176.870 0.050 0.000 0.972 518 L CA -0.529 54.412 54.840 0.169 0.000 0.836 518 L CB 1.285 43.462 42.059 0.196 0.000 1.255 518 L HN 0.711 nan 8.230 nan 0.000 0.404 519 W N 7.537 128.843 121.300 0.010 0.000 2.702 519 W HA 0.806 5.466 4.660 0.000 0.000 0.331 519 W C -2.286 174.222 176.519 -0.018 0.000 1.049 519 W CA -0.836 56.491 57.345 -0.031 0.000 1.230 519 W CB 1.795 31.278 29.460 0.037 0.000 1.408 519 W HN 0.361 nan 8.180 nan 0.000 0.492 520 V N 5.205 124.474 119.914 -1.076 0.000 2.733 520 V HA 0.285 4.405 4.120 0.000 0.000 0.306 520 V C -0.804 174.634 176.094 -1.093 0.000 1.084 520 V CA -0.655 61.093 62.300 -0.921 0.000 0.905 520 V CB 1.965 33.490 31.823 -0.497 0.000 1.010 520 V HN 0.616 nan 8.190 nan 0.000 0.424 521 Q N 2.271 121.607 119.800 -0.773 0.000 2.321 521 Q HA 0.638 4.978 4.340 0.000 0.000 0.270 521 Q C -0.089 175.862 176.000 -0.081 0.000 1.032 521 Q CA 0.119 55.710 55.803 -0.352 0.000 0.784 521 Q CB 2.028 30.584 28.738 -0.302 0.000 1.264 521 Q HN 1.400 nan 8.270 nan 0.000 0.448 522 G N 3.287 112.154 108.800 0.112 0.000 3.405 522 G HA2 -0.149 3.812 3.960 0.000 0.000 0.676 522 G HA3 -0.149 3.812 3.960 0.000 0.000 0.676 522 G C -1.455 173.521 174.900 0.127 0.000 1.039 522 G CA -0.057 45.063 45.100 0.034 0.000 0.855 522 G HN 0.861 nan 8.290 nan 0.000 0.443 523 Y N -1.259 118.983 120.300 -0.097 0.000 2.620 523 Y HA 0.707 5.257 4.550 0.000 0.000 0.331 523 Y C -0.197 175.678 175.900 -0.042 0.000 1.173 523 Y CA -2.003 56.052 58.100 -0.075 0.000 1.076 523 Y CB 0.725 39.155 38.460 -0.049 0.000 1.336 523 Y HN 0.598 nan 8.280 nan 0.000 0.459 524 R N 2.308 122.805 120.500 -0.004 0.000 2.457 524 R HA 0.515 4.855 4.340 0.000 0.000 0.335 524 R C 0.431 176.706 176.300 -0.041 0.000 1.003 524 R CA 0.542 56.608 56.100 -0.056 0.000 1.003 524 R CB 0.344 30.652 30.300 0.014 0.000 0.950 524 R HN 0.850 nan 8.270 nan 0.000 0.428 525 A N 2.794 125.495 122.820 -0.199 0.000 2.645 525 A HA 0.517 4.837 4.320 0.000 0.000 0.245 525 A C -0.016 177.565 177.584 -0.004 0.000 1.758 525 A CA 0.042 52.010 52.037 -0.114 0.000 0.850 525 A CB 0.482 19.340 19.000 -0.237 0.000 1.656 525 A HN 0.720 nan 8.150 nan 0.000 0.641 526 S N -3.605 112.099 115.700 0.008 0.000 2.596 526 S HA 0.262 4.732 4.470 0.000 0.000 0.305 526 S C 0.024 174.633 174.600 0.015 0.000 1.086 526 S CA 0.160 58.367 58.200 0.012 0.000 0.909 526 S CB 0.221 63.438 63.200 0.029 0.000 1.106 526 S HN 0.791 nan 8.310 nan 0.000 0.450 527 M N 3.136 122.739 119.600 0.004 0.000 2.144 527 M HA -0.070 4.410 4.480 0.000 0.000 0.260 527 M C 2.044 178.353 176.300 0.015 0.000 1.067 527 M CA 2.836 58.140 55.300 0.006 0.000 1.095 527 M CB -1.527 31.073 32.600 0.001 0.000 1.365 527 M HN 0.971 nan 8.290 nan 0.000 0.406 528 T N -0.592 113.971 114.554 0.016 0.000 2.564 528 T HA -0.182 4.168 4.350 0.000 0.000 0.264 528 T C 1.748 176.464 174.700 0.027 0.000 1.100 528 T CA 2.312 64.424 62.100 0.020 0.000 1.171 528 T CB -1.374 67.507 68.868 0.021 0.000 0.863 528 T HN 0.731 nan 8.240 nan 0.000 0.430 529 G N -0.053 108.770 108.800 0.038 0.000 2.241 529 G HA2 -0.276 3.684 3.960 0.000 0.000 0.244 529 G HA3 -0.276 3.684 3.960 0.000 0.000 0.244 529 G C 0.838 175.767 174.900 0.049 0.000 0.998 529 G CA 0.450 45.581 45.100 0.052 0.000 0.621 529 G HN 0.470 nan 8.290 nan 0.000 0.519 530 Q N 0.523 120.346 119.800 0.037 0.000 2.482 530 Q HA 0.093 4.433 4.340 0.000 0.000 0.209 530 Q C 1.591 177.610 176.000 0.032 0.000 0.961 530 Q CA 1.443 57.264 55.803 0.031 0.000 0.945 530 Q CB -0.049 28.703 28.738 0.023 0.000 1.012 530 Q HN 0.734 nan 8.270 nan 0.000 0.515 531 D N -0.106 120.319 120.400 0.041 0.000 2.183 531 D HA -0.035 4.605 4.640 0.000 0.000 0.205 531 D C 1.775 178.097 176.300 0.037 0.000 0.962 531 D CA 0.293 54.317 54.000 0.039 0.000 0.849 531 D CB 0.068 40.898 40.800 0.050 0.000 0.978 531 D HN 0.110 nan 8.370 nan 0.000 0.488 532 L N 0.271 121.520 121.223 0.044 0.000 2.081 532 L HA -0.203 4.137 4.340 0.000 0.000 0.212 532 L C 2.069 178.962 176.870 0.039 0.000 1.080 532 L CA 0.699 55.559 54.840 0.034 0.000 0.754 532 L CB -0.273 41.805 42.059 0.031 0.000 0.893 532 L HN 0.159 nan 8.230 nan 0.000 0.433 533 M N -0.259 119.363 119.600 0.037 0.000 2.192 533 M HA -0.285 4.195 4.480 0.000 0.000 0.256 533 M C 2.103 178.420 176.300 0.029 0.000 1.076 533 M CA 1.648 56.969 55.300 0.036 0.000 1.075 533 M CB -1.109 31.507 32.600 0.028 0.000 1.368 533 M HN 0.475 nan 8.290 nan 0.000 0.406 534 Q N 0.221 120.031 119.800 0.017 0.000 2.491 534 Q HA -0.083 4.257 4.340 0.000 0.000 0.214 534 Q C 1.172 177.161 176.000 -0.017 0.000 0.970 534 Q CA 0.645 56.448 55.803 0.001 0.000 0.960 534 Q CB -0.509 28.228 28.738 -0.002 0.000 0.996 534 Q HN 0.753 nan 8.270 nan 0.000 0.524 535 M N -2.680 116.916 119.600 -0.007 0.000 2.347 535 M HA 0.509 4.989 4.480 0.000 0.000 0.302 535 M C 0.308 176.582 176.300 -0.044 0.000 1.051 535 M CA -0.354 54.907 55.300 -0.065 0.000 0.988 535 M CB 0.683 33.240 32.600 -0.071 0.000 1.475 535 M HN 0.045 nan 8.290 nan 0.000 0.530 536 A N 2.570 125.415 122.820 0.042 0.000 2.512 536 A HA 0.264 4.584 4.320 0.000 0.000 0.278 536 A C -0.128 177.483 177.584 0.045 0.000 1.128 536 A CA 0.262 52.349 52.037 0.083 0.000 0.818 536 A CB -0.377 18.658 19.000 0.058 0.000 1.044 536 A HN 0.708 nan 8.150 nan 0.000 0.526 537 R N 2.486 123.035 120.500 0.081 0.000 2.856 537 R HA 0.625 4.965 4.340 0.000 0.000 0.258 537 R C -2.787 173.625 176.300 0.187 0.000 1.066 537 R CA -1.888 54.276 56.100 0.107 0.000 1.045 537 R CB 0.269 30.633 30.300 0.106 0.000 1.178 537 R HN 0.380 nan 8.270 nan 0.000 0.499 538 P HA 0.156 nan 4.420 nan 0.000 0.279 538 P C -0.989 176.479 177.300 0.280 0.000 1.239 538 P CA -0.114 63.026 63.100 0.068 0.000 0.789 538 P CB 0.225 31.917 31.700 -0.012 0.000 0.933 539 Y N -2.364 118.089 120.300 0.255 0.000 4.929 539 Y HA -0.211 4.339 4.550 0.000 0.000 0.253 539 Y C 0.143 176.324 175.900 0.468 0.000 0.946 539 Y CA 0.518 58.820 58.100 0.336 0.000 1.905 539 Y CB -1.776 36.887 38.460 0.338 0.000 1.400 539 Y HN 0.499 nan 8.280 nan 0.000 0.531 540 W N 3.787 125.214 121.300 0.213 0.000 2.342 540 W HA 0.412 5.072 4.660 0.000 0.000 0.310 540 W C -0.521 175.904 176.519 -0.156 0.000 1.128 540 W CA -0.568 56.735 57.345 -0.071 0.000 1.322 540 W CB 0.574 29.950 29.460 -0.140 0.000 1.251 540 W HN -0.077 nan 8.180 nan 0.000 0.439 541 N N 5.549 123.845 118.700 -0.674 0.000 2.455 541 N HA 0.285 5.025 4.740 0.000 0.000 0.280 541 N C -0.576 174.387 175.510 -0.912 0.000 1.055 541 N CA -0.285 52.336 53.050 -0.714 0.000 0.961 541 N CB 1.525 39.458 38.487 -0.924 0.000 1.121 541 N HN 0.423 nan 8.380 nan 0.000 0.476 542 I N -1.482 118.794 120.570 -0.491 0.000 2.509 542 I HA 0.597 4.767 4.170 0.000 0.000 0.293 542 I C -0.551 175.466 176.117 -0.167 0.000 1.020 542 I CA -0.383 60.706 61.300 -0.351 0.000 1.088 542 I CB 1.774 39.669 38.000 -0.175 0.000 1.267 542 I HN 0.350 nan 8.210 nan 0.000 0.430 543 E N 5.783 125.937 120.200 -0.076 0.000 2.317 543 E HA 0.678 5.028 4.350 0.000 0.000 0.270 543 E C -1.530 175.113 176.600 0.072 0.000 0.885 543 E CA -0.852 55.569 56.400 0.036 0.000 0.760 543 E CB 2.562 32.354 29.700 0.153 0.000 1.227 543 E HN 0.607 nan 8.360 nan 0.000 0.434 544 L N 3.398 124.673 121.223 0.087 0.000 2.346 544 L HA 0.636 4.976 4.340 0.000 0.000 0.276 544 L C -0.537 176.407 176.870 0.124 0.000 1.006 544 L CA -0.636 54.264 54.840 0.101 0.000 0.817 544 L CB 1.153 43.259 42.059 0.078 0.000 1.272 544 L HN 0.384 nan 8.230 nan 0.000 0.421 545 I N 2.058 122.699 120.570 0.119 0.000 2.934 545 I HA 0.464 4.634 4.170 0.000 0.000 0.306 545 I C -2.184 173.870 176.117 -0.106 0.000 1.110 545 I CA -1.683 59.661 61.300 0.073 0.000 1.019 545 I CB 2.640 40.753 38.000 0.188 0.000 1.227 545 I HN 0.379 nan 8.210 nan 0.000 0.434 546 P HA 0.245 nan 4.420 nan 0.000 0.250 546 P C -0.766 176.402 177.300 -0.219 0.000 1.202 546 P CA -0.176 62.848 63.100 -0.126 0.000 0.722 546 P CB 0.484 32.182 31.700 -0.003 0.000 1.432 547 S N -2.249 113.433 115.700 -0.031 0.000 2.756 547 S HA 0.462 4.932 4.470 0.000 0.000 0.295 547 S C -1.478 173.170 174.600 0.079 0.000 0.945 547 S CA -0.724 57.486 58.200 0.016 0.000 0.838 547 S CB 0.155 63.348 63.200 -0.012 0.000 1.042 547 S HN 0.084 nan 8.310 nan 0.000 0.467 548 R N 1.277 121.803 120.500 0.043 0.000 3.132 548 R HA 0.632 4.972 4.340 0.000 0.000 0.257 548 R C -0.586 175.730 176.300 0.026 0.000 1.203 548 R CA -0.739 55.396 56.100 0.058 0.000 1.008 548 R CB 0.521 30.859 30.300 0.063 0.000 1.378 548 R HN 0.916 nan 8.270 nan 0.000 0.448 564 H N 3.126 122.226 119.070 0.050 0.000 2.887 564 H HA 0.326 4.882 4.556 0.000 0.000 0.300 564 H C -2.190 173.172 175.328 0.056 0.000 1.038 564 H CA -1.904 54.194 56.048 0.083 0.000 1.352 564 H CB 1.363 31.188 29.762 0.105 0.000 1.473 564 H HN 0.393 nan 8.280 nan 0.000 0.503 565 P HA 0.003 nan 4.420 nan 0.000 0.271 565 P C -0.034 177.330 177.300 0.107 0.000 1.238 565 P CA -0.433 62.721 63.100 0.090 0.000 0.794 565 P CB 0.687 32.425 31.700 0.064 0.000 0.959 566 A N 1.077 123.935 122.820 0.064 0.000 2.511 566 A HA 0.093 4.413 4.320 0.000 0.000 0.242 566 A C 0.170 177.923 177.584 0.280 0.000 1.069 566 A CA 0.113 52.219 52.037 0.115 0.000 0.763 566 A CB -0.786 18.295 19.000 0.135 0.000 1.001 566 A HN 0.620 nan 8.150 nan 0.000 0.498 567 H N 0.437 119.541 119.070 0.056 0.000 2.479 567 H HA 0.554 5.110 4.556 0.000 0.000 0.335 567 H C -0.714 174.546 175.328 -0.114 0.000 1.142 567 H CA -0.732 55.224 56.048 -0.153 0.000 1.234 567 H CB 1.471 31.186 29.762 -0.079 0.000 1.503 567 H HN 0.549 nan 8.280 nan 0.000 0.510 568 I N 3.027 123.487 120.570 -0.183 0.000 2.433 568 I HA 0.157 4.327 4.170 0.000 0.000 0.292 568 I C -1.119 174.941 176.117 -0.095 0.000 1.001 568 I CA -0.690 60.512 61.300 -0.162 0.000 1.119 568 I CB 1.758 39.557 38.000 -0.335 0.000 1.289 568 I HN 0.205 nan 8.210 nan 0.000 0.438 569 L N 6.991 128.225 121.223 0.019 0.000 2.406 569 L HA 0.890 5.230 4.340 0.000 0.000 0.272 569 L C -0.903 175.912 176.870 -0.091 0.000 0.980 569 L CA -0.112 54.754 54.840 0.044 0.000 0.831 569 L CB 1.508 43.703 42.059 0.227 0.000 1.253 569 L HN 0.690 nan 8.230 nan 0.000 0.406 570 A N 4.339 127.005 122.820 -0.256 0.000 2.475 570 A HA 0.887 5.207 4.320 0.000 0.000 0.301 570 A C -1.860 175.237 177.584 -0.812 0.000 1.059 570 A CA -0.397 51.241 52.037 -0.666 0.000 0.710 570 A CB 1.283 19.814 19.000 -0.781 0.000 1.288 570 A HN 0.886 nan 8.150 nan 0.000 0.408 571 Y N -1.638 118.010 120.300 -1.087 0.000 2.609 571 Y HA 0.699 5.249 4.550 0.000 0.000 0.336 571 Y C -1.225 174.379 175.900 -0.494 0.000 1.129 571 Y CA -1.524 56.207 58.100 -0.615 0.000 1.040 571 Y CB 0.728 39.123 38.460 -0.108 0.000 1.310 571 Y HN 0.586 nan 8.280 nan 0.000 0.460 572 Y N 1.315 121.754 120.300 0.232 0.000 2.309 572 Y HA 0.494 5.044 4.550 0.000 0.000 0.327 572 Y C 0.537 176.663 175.900 0.376 0.000 1.172 572 Y CA 0.299 58.611 58.100 0.355 0.000 1.280 572 Y CB 1.616 40.338 38.460 0.437 0.000 1.234 572 Y HN 0.716 nan 8.280 nan 0.000 0.512 573 S N 3.505 119.528 115.700 0.539 0.000 2.603 573 S HA 0.295 4.765 4.470 0.000 0.000 0.274 573 S C -0.220 174.645 174.600 0.443 0.000 1.168 573 S CA -0.770 57.710 58.200 0.466 0.000 0.963 573 S CB 0.566 64.056 63.200 0.483 0.000 1.078 573 S HN 0.757 nan 8.310 nan 0.000 0.477 574 L N 3.404 124.832 121.223 0.341 0.000 2.622 574 L HA 0.191 4.531 4.340 0.000 0.000 0.233 574 L C 2.006 179.062 176.870 0.310 0.000 1.156 574 L CA 0.879 55.909 54.840 0.317 0.000 0.866 574 L CB -0.476 41.680 42.059 0.162 0.000 0.980 574 L HN 0.770 nan 8.230 nan 0.000 0.448 575 A N -0.685 122.308 122.820 0.288 0.000 2.167 575 A HA 0.551 4.871 4.320 0.000 0.000 0.208 575 A C 1.197 178.886 177.584 0.175 0.000 1.198 575 A CA 0.563 52.730 52.037 0.217 0.000 0.863 575 A CB 0.272 19.412 19.000 0.233 0.000 0.904 575 A HN 0.401 nan 8.150 nan 0.000 0.484 576 G N -0.717 108.193 108.800 0.183 0.000 2.610 576 G HA2 -0.097 3.863 3.960 0.000 0.000 0.304 576 G HA3 -0.097 3.863 3.960 0.000 0.000 0.304 576 G C -0.640 174.316 174.900 0.094 0.000 1.309 576 G CA -0.393 44.769 45.100 0.105 0.000 0.906 576 G HN 0.529 nan 8.290 nan 0.000 0.521 577 Q N 0.434 120.255 119.800 0.036 0.000 2.332 577 Q HA 0.437 4.777 4.340 0.000 0.000 0.263 577 Q C 0.852 176.866 176.000 0.023 0.000 0.979 577 Q CA -0.067 55.743 55.803 0.011 0.000 0.885 577 Q CB 0.501 29.223 28.738 -0.026 0.000 1.218 577 Q HN 0.557 nan 8.270 nan 0.000 0.405 578 R N 1.409 121.906 120.500 -0.005 0.000 2.623 578 R HA 0.032 4.373 4.340 0.000 0.000 0.271 578 R C 0.782 177.055 176.300 -0.045 0.000 1.043 578 R CA 0.059 56.139 56.100 -0.033 0.000 1.083 578 R CB 0.002 30.132 30.300 -0.284 0.000 0.974 578 R HN 0.575 nan 8.270 nan 0.000 0.436 579 T N 0.890 115.442 114.554 -0.004 0.000 2.857 579 T HA -0.121 4.229 4.350 0.000 0.000 0.266 579 T C 0.744 175.421 174.700 -0.039 0.000 1.048 579 T CA 1.618 63.707 62.100 -0.018 0.000 1.139 579 T CB -0.208 68.657 68.868 -0.005 0.000 0.874 579 T HN 0.779 nan 8.240 nan 0.000 0.455 580 D N 0.485 120.866 120.400 -0.031 0.000 2.519 580 D HA 0.094 4.734 4.640 0.000 0.000 0.238 580 D C -0.166 176.108 176.300 -0.044 0.000 1.192 580 D CA -0.450 53.538 54.000 -0.021 0.000 0.835 580 D CB -1.484 39.360 40.800 0.074 0.000 0.975 580 D HN 0.203 nan 8.370 nan 0.000 0.490 581 C N 1.586 120.825 119.300 -0.102 0.000 2.662 581 C HA 0.240 4.700 4.460 0.000 0.000 0.420 581 C C -1.425 173.539 174.990 -0.043 0.000 1.314 581 C CA -0.859 58.085 59.018 -0.123 0.000 1.963 581 C CB -0.004 27.671 27.740 -0.109 0.000 2.686 581 C HN 0.387 nan 8.230 nan 0.000 0.609 582 P HA 0.176 nan 4.420 nan 0.000 0.275 582 P C 0.819 178.132 177.300 0.022 0.000 1.270 582 P CA -0.020 63.098 63.100 0.029 0.000 0.791 582 P CB 0.297 32.035 31.700 0.063 0.000 1.089 583 T N -1.023 113.550 114.554 0.032 0.000 2.896 583 T HA -0.077 4.273 4.350 0.000 0.000 0.263 583 T C 1.461 176.183 174.700 0.036 0.000 1.050 583 T CA 1.837 63.953 62.100 0.027 0.000 1.140 583 T CB -1.001 67.882 68.868 0.025 0.000 0.877 583 T HN 0.621 nan 8.240 nan 0.000 0.457 584 T N 0.101 114.686 114.554 0.051 0.000 3.077 584 T HA 0.050 4.400 4.350 0.000 0.000 0.269 584 T C 0.583 175.327 174.700 0.072 0.000 1.146 584 T CA 0.221 62.357 62.100 0.061 0.000 1.091 584 T CB -0.334 68.580 68.868 0.076 0.000 0.892 584 T HN 0.100 nan 8.240 nan 0.000 0.533 585 V N 1.214 121.169 119.914 0.069 0.000 2.487 585 V HA 0.483 4.603 4.120 0.000 0.000 0.298 585 V C -0.083 176.039 176.094 0.047 0.000 1.028 585 V CA -1.160 61.191 62.300 0.085 0.000 0.860 585 V CB 1.852 33.742 31.823 0.112 0.000 0.991 585 V HN 0.224 nan 8.190 nan 0.000 0.427 586 R N 2.826 123.357 120.500 0.051 0.000 2.393 586 R HA 0.695 5.035 4.340 0.000 0.000 0.310 586 R C -1.224 175.088 176.300 0.020 0.000 0.968 586 R CA -0.529 55.589 56.100 0.029 0.000 0.867 586 R CB 1.968 32.286 30.300 0.031 0.000 1.124 586 R HN 0.568 nan 8.270 nan 0.000 0.450 587 V N 6.050 125.963 119.914 -0.001 0.000 2.348 587 V HA 0.232 4.352 4.120 0.000 0.000 0.270 587 V C 0.471 176.555 176.094 -0.016 0.000 1.037 587 V CA -0.645 61.644 62.300 -0.018 0.000 0.872 587 V CB 1.079 32.881 31.823 -0.034 0.000 1.002 587 V HN 0.656 nan 8.190 nan 0.000 0.464 588 L N 5.584 126.796 121.223 -0.019 0.000 2.410 588 L HA 0.329 4.669 4.340 0.000 0.000 0.273 588 L C 0.634 177.497 176.870 -0.012 0.000 1.152 588 L CA 0.280 55.115 54.840 -0.008 0.000 0.855 588 L CB 0.522 42.581 42.059 0.000 0.000 1.129 588 L HN 0.627 nan 8.230 nan 0.000 0.463 589 K N 4.431 124.829 120.400 -0.003 0.000 2.992 589 K HA 0.181 4.501 4.320 0.000 0.000 0.178 589 K C -0.706 175.896 176.600 0.003 0.000 1.122 589 K CA -0.447 55.838 56.287 -0.004 0.000 0.926 589 K CB 0.853 33.348 32.500 -0.009 0.000 1.121 589 K HN 0.568 nan 8.250 nan 0.000 0.610 590 E N -0.390 119.816 120.200 0.009 0.000 3.931 590 E HA -0.206 4.144 4.350 0.000 0.000 0.221 590 E C -2.548 174.058 176.600 0.009 0.000 1.488 590 E CA 0.547 56.953 56.400 0.010 0.000 2.372 590 E CB -1.545 28.159 29.700 0.007 0.000 2.116 590 E HN 0.313 nan 8.360 nan 0.000 0.464 591 P HA 0.075 nan 4.420 nan 0.000 0.263 591 P C 0.092 177.396 177.300 0.005 0.000 1.195 591 P CA 0.248 63.352 63.100 0.007 0.000 0.762 591 P CB 0.148 31.851 31.700 0.005 0.000 0.799 592 I N 0.000 120.574 120.570 0.006 0.000 2.984 592 I HA 0.000 4.170 4.170 0.000 0.000 0.288 592 I CA 0.000 61.303 61.300 0.005 0.000 1.566 592 I CB 0.000 38.004 38.000 0.007 0.000 1.214 592 I HN 0.000 nan 8.210 nan 0.000 0.494