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 2j2f_1_F DATA FIRST_RESID 18 DATA SEQUENCE FMPPREVHVQ VTHSMPPQKI EIFKSLDNWA EENILVHLKP VEKCWQPQDF DATA SEQUENCE LPDPASDGFD EQVRELRERA KEIPDDYFVV LVGDMITEEA LPTYQTMLNT DATA SEQUENCE LDGVRDETGA SPTSWAIWTR AWTAEENRHG DLLNKYLYLS GRVDMRQIEK DATA SEQUENCE TIQYLIGSGM DPRTENSPYL GFIYTSFQER ADFISHGNTA RQAKEHGDIK DATA SEQUENCE LAQICGTIAA DEKRHETAYT KIVEKLFEID PDGTVLAFAD MMRKKISMPA DATA SEQUENCE HLMYDGRDDN LFDHFSAVAQ RLGVYTAKDY ADILEFLVGR WKVDKLTGLS DATA SEQUENCE AEGQKAQDYV CRLPPRIRRL EERAQGRAKE APTMPFSWIF DRQVKL 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 18 F HA 0.000 nan 4.527 nan 0.000 0.279 18 F C 0.000 175.896 175.800 0.159 0.000 0.967 18 F CA 0.000 58.140 58.000 0.233 0.000 1.383 18 F CB 0.000 39.149 39.000 0.248 0.000 1.145 19 M N 3.871 123.504 119.600 0.055 0.000 2.080 19 M HA 0.480 4.960 4.480 -0.001 0.000 0.350 19 M C -2.610 173.290 176.300 -0.666 0.000 1.173 19 M CA -1.471 53.734 55.300 -0.159 0.000 1.052 19 M CB 1.008 33.536 32.600 -0.121 0.000 1.577 19 M HN -0.177 nan 8.290 nan 0.000 0.455 20 P HA 0.350 nan 4.420 nan 0.000 0.274 20 P C -2.664 174.372 177.300 -0.440 0.000 1.231 20 P CA -0.848 61.768 63.100 -0.807 0.000 0.790 20 P CB -0.405 31.140 31.700 -0.259 0.000 0.951 21 P HA 0.299 nan 4.420 nan 0.000 0.272 21 P C -0.344 176.861 177.300 -0.158 0.000 1.240 21 P CA -0.065 62.910 63.100 -0.209 0.000 0.791 21 P CB 0.702 32.314 31.700 -0.146 0.000 0.978 22 R N 0.074 120.503 120.500 -0.119 0.000 2.867 22 R HA 0.339 4.679 4.340 -0.001 0.000 0.268 22 R C -0.414 175.850 176.300 -0.062 0.000 1.014 22 R CA -0.952 55.096 56.100 -0.088 0.000 0.946 22 R CB 1.171 31.433 30.300 -0.065 0.000 1.208 22 R HN 0.395 nan 8.270 nan 0.000 0.477 23 E N 1.757 121.944 120.200 -0.022 0.000 2.366 23 E HA -0.011 4.338 4.350 -0.001 0.000 0.266 23 E C 0.800 177.399 176.600 -0.002 0.000 1.015 23 E CA 0.191 56.623 56.400 0.054 0.000 0.906 23 E CB 1.120 30.872 29.700 0.087 0.000 0.979 23 E HN 0.489 nan 8.360 nan 0.000 0.443 24 V N 0.491 120.367 119.914 -0.064 0.000 3.649 24 V HA 0.097 4.217 4.120 -0.001 0.000 0.275 24 V C 0.239 176.131 176.094 -0.337 0.000 1.281 24 V CA 0.266 62.434 62.300 -0.219 0.000 1.143 24 V CB -0.694 30.957 31.823 -0.287 0.000 0.892 24 V HN 0.430 nan 8.190 nan 0.000 0.441 25 H N 0.532 119.606 119.070 0.007 0.000 2.499 25 H HA 0.646 5.202 4.556 -0.000 0.000 0.340 25 H C 0.031 175.350 175.328 -0.015 0.000 1.148 25 H CA -0.380 55.664 56.048 -0.006 0.000 1.215 25 H CB 1.762 31.518 29.762 -0.010 0.000 1.529 25 H HN 0.215 nan 8.280 nan 0.000 0.510 26 V N 0.802 120.773 119.914 0.095 0.000 2.694 26 V HA -0.039 4.081 4.120 -0.001 0.000 0.306 26 V C 0.525 176.634 176.094 0.025 0.000 1.054 26 V CA -0.559 61.764 62.300 0.039 0.000 1.161 26 V CB 0.353 32.189 31.823 0.021 0.000 0.916 26 V HN 0.898 nan 8.190 nan 0.000 0.490 27 Q N 3.576 123.377 119.800 0.002 0.000 2.296 27 Q HA 0.452 4.792 4.340 -0.001 0.000 0.263 27 Q C -1.103 174.872 176.000 -0.040 0.000 1.026 27 Q CA -0.501 55.289 55.803 -0.022 0.000 0.912 27 Q CB 1.304 30.027 28.738 -0.025 0.000 1.198 27 Q HN 0.806 nan 8.270 nan 0.000 0.407 28 V N 4.997 124.874 119.914 -0.062 0.000 2.350 28 V HA 0.319 4.439 4.120 -0.001 0.000 0.285 28 V C 0.150 176.171 176.094 -0.121 0.000 1.014 28 V CA -0.587 61.669 62.300 -0.075 0.000 0.831 28 V CB 1.145 32.927 31.823 -0.068 0.000 1.000 28 V HN 0.945 nan 8.190 nan 0.000 0.433 29 T N 0.779 115.253 114.554 -0.134 0.000 2.925 29 T HA 0.472 4.822 4.350 -0.001 0.000 0.285 29 T C 0.184 174.764 174.700 -0.201 0.000 1.021 29 T CA -0.431 61.506 62.100 -0.271 0.000 1.042 29 T CB 0.866 69.543 68.868 -0.318 0.000 1.037 29 T HN 0.784 nan 8.240 nan 0.000 0.481 30 H N 0.553 119.582 119.070 -0.068 0.000 2.604 30 H HA -0.169 4.386 4.556 -0.001 0.000 0.321 30 H C 1.439 176.727 175.328 -0.066 0.000 1.132 30 H CA 0.802 56.809 56.048 -0.068 0.000 1.129 30 H CB -1.815 27.915 29.762 -0.055 0.000 1.526 30 H HN 0.923 nan 8.280 nan 0.000 0.415 31 S N -0.281 115.406 115.700 -0.022 0.000 2.395 31 S HA -0.037 4.433 4.470 -0.001 0.000 0.225 31 S C 1.250 175.821 174.600 -0.048 0.000 1.027 31 S CA 0.315 58.490 58.200 -0.042 0.000 0.965 31 S CB 0.306 63.461 63.200 -0.074 0.000 0.812 31 S HN 0.485 nan 8.310 nan 0.000 0.482 32 M N 3.071 122.642 119.600 -0.049 0.000 2.252 32 M HA 0.224 4.703 4.480 -0.001 0.000 0.348 32 M C -2.556 173.728 176.300 -0.026 0.000 1.334 32 M CA -1.482 53.783 55.300 -0.057 0.000 1.071 32 M CB 0.276 32.863 32.600 -0.021 0.000 1.763 32 M HN 0.017 nan 8.290 nan 0.000 0.452 33 P HA 0.117 nan 4.420 nan 0.000 0.264 33 P C -2.339 174.962 177.300 0.002 0.000 1.193 33 P CA -0.797 62.290 63.100 -0.023 0.000 0.763 33 P CB -0.002 31.677 31.700 -0.034 0.000 0.810 34 P HA -0.194 nan 4.420 nan 0.000 0.220 34 P C 1.511 178.820 177.300 0.015 0.000 1.148 34 P CA 1.167 64.265 63.100 -0.003 0.000 0.803 34 P CB -0.204 31.482 31.700 -0.024 0.000 0.782 35 Q N 0.776 120.586 119.800 0.016 0.000 2.170 35 Q HA -0.158 4.182 4.340 -0.001 0.000 0.203 35 Q C 1.433 177.463 176.000 0.051 0.000 0.976 35 Q CA 1.548 57.366 55.803 0.024 0.000 0.858 35 Q CB -0.905 27.840 28.738 0.012 0.000 0.907 35 Q HN 0.264 nan 8.270 nan 0.000 0.433 36 K N 0.517 120.961 120.400 0.072 0.000 2.515 36 K HA 0.073 4.392 4.320 -0.001 0.000 0.196 36 K C 2.000 178.731 176.600 0.219 0.000 1.038 36 K CA 0.394 56.761 56.287 0.134 0.000 0.967 36 K CB -0.090 32.518 32.500 0.180 0.000 0.780 36 K HN 0.253 nan 8.250 nan 0.000 0.483 37 I N 1.294 121.962 120.570 0.163 0.000 2.335 37 I HA -0.261 3.909 4.170 -0.001 0.000 0.251 37 I C 2.135 178.368 176.117 0.193 0.000 1.129 37 I CA 1.086 62.489 61.300 0.173 0.000 1.402 37 I CB -0.067 37.976 38.000 0.071 0.000 1.069 37 I HN 0.164 nan 8.210 nan 0.000 0.424 38 E N 0.760 121.035 120.200 0.125 0.000 2.106 38 E HA -0.164 4.186 4.350 -0.001 0.000 0.192 38 E C 2.253 178.900 176.600 0.078 0.000 0.984 38 E CA 1.110 57.567 56.400 0.096 0.000 0.806 38 E CB -0.200 29.532 29.700 0.055 0.000 0.750 38 E HN 0.538 nan 8.360 nan 0.000 0.458 39 I N 0.244 120.826 120.570 0.020 0.000 2.185 39 I HA -0.303 3.866 4.170 -0.001 0.000 0.246 39 I C 2.107 178.097 176.117 -0.212 0.000 1.088 39 I CA 1.357 62.559 61.300 -0.162 0.000 1.347 39 I CB -0.394 37.406 38.000 -0.334 0.000 1.041 39 I HN 0.008 nan 8.210 nan 0.000 0.415 40 F N 0.870 120.846 119.950 0.043 0.000 2.187 40 F HA -0.083 4.444 4.527 -0.001 0.000 0.295 40 F C 2.468 178.476 175.800 0.347 0.000 1.091 40 F CA 0.924 59.005 58.000 0.135 0.000 1.308 40 F CB -0.457 38.447 39.000 -0.160 0.000 1.030 40 F HN -0.155 nan 8.300 nan 0.000 0.487 41 K N 0.248 120.869 120.400 0.368 0.000 2.074 41 K HA -0.135 4.185 4.320 -0.001 0.000 0.209 41 K C 2.125 178.860 176.600 0.226 0.000 1.048 41 K CA 1.548 58.012 56.287 0.295 0.000 0.926 41 K CB -1.036 31.576 32.500 0.186 0.000 0.713 41 K HN 0.185 nan 8.250 nan 0.000 0.444 42 S N 1.375 117.166 115.700 0.151 0.000 2.382 42 S HA -0.028 4.442 4.470 -0.001 0.000 0.228 42 S C 1.828 176.490 174.600 0.104 0.000 1.027 42 S CA 0.769 59.021 58.200 0.087 0.000 0.991 42 S CB -0.084 63.127 63.200 0.018 0.000 0.823 42 S HN 0.221 nan 8.310 nan 0.000 0.469 43 L N 1.489 122.809 121.223 0.161 0.000 2.612 43 L HA 0.050 4.389 4.340 -0.001 0.000 0.230 43 L C 2.037 179.043 176.870 0.226 0.000 1.140 43 L CA 0.128 55.084 54.840 0.194 0.000 0.896 43 L CB -0.303 41.848 42.059 0.153 0.000 1.065 43 L HN 0.310 nan 8.230 nan 0.000 0.447 44 D N 1.017 121.515 120.400 0.163 0.000 2.108 44 D HA -0.249 4.391 4.640 -0.001 0.000 0.190 44 D C 1.528 177.769 176.300 -0.098 0.000 0.995 44 D CA 1.576 55.549 54.000 -0.044 0.000 0.834 44 D CB 0.184 41.010 40.800 0.044 0.000 0.967 44 D HN 0.288 nan 8.370 nan 0.000 0.446 45 N N 0.193 118.890 118.700 -0.005 0.000 2.037 45 N HA -0.211 4.529 4.740 -0.001 0.000 0.196 45 N C 1.715 177.213 175.510 -0.019 0.000 1.034 45 N CA 1.196 54.237 53.050 -0.016 0.000 0.861 45 N CB -0.998 37.502 38.487 0.022 0.000 1.039 45 N HN 0.469 nan 8.380 nan 0.000 0.427 46 W N 1.885 123.113 121.300 -0.120 0.000 2.318 46 W HA -0.213 4.447 4.660 -0.000 0.000 0.313 46 W C 2.421 178.826 176.519 -0.190 0.000 1.221 46 W CA 2.704 59.976 57.345 -0.121 0.000 1.266 46 W CB -0.498 28.912 29.460 -0.084 0.000 1.150 46 W HN 0.124 nan 8.180 nan 0.000 0.496 47 A N -0.123 122.642 122.820 -0.091 0.000 1.940 47 A HA -0.275 4.045 4.320 -0.001 0.000 0.219 47 A C 1.933 179.224 177.584 -0.487 0.000 1.176 47 A CA 1.826 53.578 52.037 -0.475 0.000 0.631 47 A CB -1.063 17.374 19.000 -0.938 0.000 0.814 47 A HN 0.513 nan 8.150 nan 0.000 0.446 48 E N -0.518 119.471 120.200 -0.352 0.000 2.516 48 E HA -0.097 4.252 4.350 -0.001 0.000 0.199 48 E C 0.776 177.221 176.600 -0.259 0.000 1.069 48 E CA 0.707 56.956 56.400 -0.253 0.000 0.876 48 E CB 0.012 29.610 29.700 -0.170 0.000 0.843 48 E HN 0.794 nan 8.360 nan 0.000 0.530 49 E N -1.264 118.710 120.200 -0.376 0.000 2.568 49 E HA 0.116 4.466 4.350 -0.001 0.000 0.220 49 E C 0.978 177.285 176.600 -0.489 0.000 0.869 49 E CA -0.154 56.026 56.400 -0.365 0.000 1.268 49 E CB 0.509 30.029 29.700 -0.300 0.000 1.252 49 E HN 0.061 nan 8.360 nan 0.000 0.606 50 N N 0.075 118.334 118.700 -0.734 0.000 2.257 50 N HA 0.131 4.870 4.740 -0.001 0.000 0.200 50 N C 1.124 176.308 175.510 -0.544 0.000 1.163 50 N CA 0.368 52.959 53.050 -0.765 0.000 0.891 50 N CB 1.302 38.972 38.487 -1.361 0.000 1.067 50 N HN 0.064 nan 8.380 nan 0.000 0.497 51 I N 0.695 120.956 120.570 -0.515 0.000 3.393 51 I HA 0.101 4.271 4.170 -0.001 0.000 0.250 51 I C 2.188 178.223 176.117 -0.136 0.000 1.122 51 I CA 0.302 61.402 61.300 -0.333 0.000 1.484 51 I CB -1.147 36.552 38.000 -0.502 0.000 1.468 51 I HN -0.092 nan 8.210 nan 0.000 0.461 52 L N 1.842 122.999 121.223 -0.109 0.000 2.137 52 L HA -0.189 4.151 4.340 -0.001 0.000 0.213 52 L C 2.657 179.534 176.870 0.011 0.000 1.085 52 L CA 1.391 56.270 54.840 0.065 0.000 0.760 52 L CB -0.844 41.213 42.059 -0.003 0.000 0.893 52 L HN 0.241 nan 8.230 nan 0.000 0.434 53 V N -3.668 116.147 119.914 -0.165 0.000 2.794 53 V HA -0.267 3.852 4.120 -0.001 0.000 0.260 53 V C 1.970 177.929 176.094 -0.224 0.000 1.103 53 V CA 1.683 63.839 62.300 -0.241 0.000 1.125 53 V CB -1.031 30.566 31.823 -0.378 0.000 0.702 53 V HN 0.490 nan 8.190 nan 0.000 0.494 54 H N 0.024 119.146 119.070 0.087 0.000 2.539 54 H HA 0.450 5.006 4.556 -0.000 0.000 0.269 54 H C 0.694 176.159 175.328 0.229 0.000 0.980 54 H CA -0.140 55.998 56.048 0.151 0.000 1.152 54 H CB 0.209 30.066 29.762 0.160 0.000 1.407 54 H HN 0.433 nan 8.280 nan 0.000 0.564 55 L N 1.565 122.957 121.223 0.281 0.000 2.326 55 L HA 0.189 4.529 4.340 -0.001 0.000 0.278 55 L C 0.573 177.497 176.870 0.089 0.000 1.092 55 L CA -0.616 54.320 54.840 0.160 0.000 0.810 55 L CB 0.900 43.008 42.059 0.081 0.000 1.153 55 L HN -0.244 nan 8.230 nan 0.000 0.439 56 K N 5.202 125.644 120.400 0.069 0.000 2.312 56 K HA 0.294 4.614 4.320 -0.001 0.000 0.287 56 K C -2.274 174.325 176.600 -0.001 0.000 1.062 56 K CA -1.738 54.573 56.287 0.040 0.000 0.934 56 K CB 0.635 33.165 32.500 0.051 0.000 1.027 56 K HN 0.145 nan 8.250 nan 0.000 0.478 57 P HA -0.080 nan 4.420 nan 0.000 0.265 57 P C 0.748 178.028 177.300 -0.034 0.000 1.193 57 P CA -0.128 62.960 63.100 -0.019 0.000 0.765 57 P CB 0.651 32.343 31.700 -0.013 0.000 0.823 58 V N 2.906 122.791 119.914 -0.048 0.000 2.233 58 V HA -0.293 3.826 4.120 -0.001 0.000 0.252 58 V C 2.416 178.479 176.094 -0.052 0.000 1.063 58 V CA 2.063 64.324 62.300 -0.065 0.000 1.032 58 V CB -0.998 30.787 31.823 -0.063 0.000 0.645 58 V HN 0.584 nan 8.190 nan 0.000 0.446 59 E N 0.025 120.204 120.200 -0.034 0.000 2.171 59 E HA -0.222 4.128 4.350 -0.001 0.000 0.197 59 E C 2.005 178.598 176.600 -0.012 0.000 0.997 59 E CA 1.244 57.630 56.400 -0.023 0.000 0.810 59 E CB -0.260 29.430 29.700 -0.016 0.000 0.738 59 E HN 0.618 nan 8.360 nan 0.000 0.467 60 K N -0.310 120.086 120.400 -0.007 0.000 2.387 60 K HA 0.125 4.445 4.320 -0.001 0.000 0.198 60 K C 0.173 176.791 176.600 0.031 0.000 1.022 60 K CA -0.221 56.075 56.287 0.015 0.000 1.128 60 K CB 0.405 32.917 32.500 0.020 0.000 0.853 60 K HN -0.004 nan 8.250 nan 0.000 0.523 61 C N 2.426 121.719 119.300 -0.011 0.000 2.405 61 C HA 0.315 4.774 4.460 -0.001 0.000 0.365 61 C C 0.673 175.661 174.990 -0.003 0.000 1.233 61 C CA -1.509 57.476 59.018 -0.054 0.000 2.230 61 C CB -0.080 27.538 27.740 -0.203 0.000 2.443 61 C HN 0.533 nan 8.230 nan 0.000 0.556 62 W N 2.140 123.481 121.300 0.069 0.000 2.112 62 W HA 0.439 5.098 4.660 -0.001 0.000 0.349 62 W C -0.559 176.017 176.519 0.095 0.000 1.289 62 W CA -0.080 57.319 57.345 0.090 0.000 1.256 62 W CB 0.149 29.747 29.460 0.230 0.000 1.148 62 W HN 0.469 nan 8.180 nan 0.000 0.590 63 Q N 1.437 121.429 119.800 0.320 0.000 2.433 63 Q HA 0.256 4.595 4.340 -0.001 0.000 0.279 63 Q C -1.672 174.616 176.000 0.481 0.000 1.105 63 Q CA -2.193 53.718 55.803 0.179 0.000 0.815 63 Q CB 1.672 30.439 28.738 0.048 0.000 1.403 63 Q HN 0.083 nan 8.270 nan 0.000 0.435 64 P HA -0.242 nan 4.420 nan 0.000 0.217 64 P C 1.157 178.660 177.300 0.337 0.000 1.151 64 P CA 1.604 64.991 63.100 0.478 0.000 0.849 64 P CB 0.479 32.352 31.700 0.289 0.000 0.787 65 Q N -0.106 119.808 119.800 0.190 0.000 2.226 65 Q HA -0.177 4.162 4.340 -0.001 0.000 0.204 65 Q C 1.462 177.484 176.000 0.037 0.000 0.975 65 Q CA 1.570 57.440 55.803 0.112 0.000 0.866 65 Q CB -1.182 27.593 28.738 0.062 0.000 0.915 65 Q HN 0.211 nan 8.270 nan 0.000 0.440 66 D N -0.924 119.445 120.400 -0.052 0.000 2.265 66 D HA -0.161 4.479 4.640 -0.001 0.000 0.208 66 D C 0.259 176.204 176.300 -0.592 0.000 0.977 66 D CA 0.996 54.774 54.000 -0.369 0.000 0.871 66 D CB -0.003 40.440 40.800 -0.594 0.000 0.925 66 D HN 0.381 nan 8.370 nan 0.000 0.485 67 F N -0.405 119.593 119.950 0.081 0.000 2.683 67 F HA 0.316 4.843 4.527 -0.001 0.000 0.306 67 F C 0.599 176.444 175.800 0.075 0.000 1.102 67 F CA -0.291 57.730 58.000 0.035 0.000 1.244 67 F CB 0.457 39.433 39.000 -0.040 0.000 1.029 67 F HN -0.267 nan 8.300 nan 0.000 0.545 68 L N 0.354 121.706 121.223 0.214 0.000 2.319 68 L HA 0.563 4.903 4.340 -0.001 0.000 0.267 68 L C -2.282 174.699 176.870 0.185 0.000 1.011 68 L CA -2.309 52.663 54.840 0.219 0.000 0.818 68 L CB 1.507 43.705 42.059 0.231 0.000 1.316 68 L HN -0.277 nan 8.230 nan 0.000 0.432 69 P HA -0.083 nan 4.420 nan 0.000 0.263 69 P C -1.106 176.378 177.300 0.307 0.000 1.175 69 P CA 0.083 63.325 63.100 0.235 0.000 0.761 69 P CB 0.300 32.119 31.700 0.199 0.000 0.794 70 D N 4.745 125.304 120.400 0.264 0.000 2.365 70 D HA 0.080 4.719 4.640 -0.001 0.000 0.237 70 D C -1.513 174.856 176.300 0.115 0.000 1.190 70 D CA -2.266 51.830 54.000 0.160 0.000 0.867 70 D CB 0.582 41.440 40.800 0.096 0.000 1.050 70 D HN 0.188 nan 8.370 nan 0.000 0.491 71 P HA 0.047 nan 4.420 nan 0.000 0.241 71 P C 0.378 177.439 177.300 -0.398 0.000 1.191 71 P CA 0.239 62.934 63.100 -0.674 0.000 0.771 71 P CB 0.353 31.680 31.700 -0.622 0.000 0.929 72 A N -1.060 121.661 122.820 -0.165 0.000 2.545 72 A HA 0.363 4.682 4.320 -0.001 0.000 0.277 72 A C 0.788 178.349 177.584 -0.039 0.000 1.301 72 A CA -0.084 51.893 52.037 -0.101 0.000 0.935 72 A CB -0.311 18.647 19.000 -0.070 0.000 1.093 72 A HN 0.164 nan 8.150 nan 0.000 0.519 73 S N -0.865 114.832 115.700 -0.004 0.000 2.568 73 S HA 0.385 4.855 4.470 -0.001 0.000 0.302 73 S C 0.105 174.755 174.600 0.084 0.000 1.082 73 S CA -0.548 57.681 58.200 0.047 0.000 1.009 73 S CB 0.993 64.237 63.200 0.074 0.000 1.069 73 S HN 0.302 nan 8.310 nan 0.000 0.500 74 D N 2.888 123.328 120.400 0.067 0.000 2.310 74 D HA 0.040 4.680 4.640 -0.001 0.000 0.212 74 D C 1.668 178.028 176.300 0.100 0.000 0.965 74 D CA 0.843 54.888 54.000 0.076 0.000 0.879 74 D CB -0.350 40.478 40.800 0.048 0.000 0.921 74 D HN 0.708 nan 8.370 nan 0.000 0.510 75 G N -0.225 108.637 108.800 0.103 0.000 2.920 75 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.208 75 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.208 75 G C 1.155 176.141 174.900 0.143 0.000 1.159 75 G CA -0.335 44.823 45.100 0.097 0.000 0.784 75 G HN 0.137 nan 8.290 nan 0.000 0.535 76 F N 2.182 122.145 119.950 0.022 0.000 2.069 76 F HA -0.129 4.397 4.527 -0.001 0.000 0.298 76 F C 2.045 177.862 175.800 0.029 0.000 1.113 76 F CA 1.879 59.896 58.000 0.028 0.000 1.214 76 F CB -0.114 38.903 39.000 0.028 0.000 0.978 76 F HN 0.114 nan 8.300 nan 0.000 0.474 77 D N 0.352 120.719 120.400 -0.055 0.000 2.087 77 D HA -0.243 4.396 4.640 -0.001 0.000 0.192 77 D C 2.260 178.461 176.300 -0.165 0.000 0.993 77 D CA 1.989 55.881 54.000 -0.179 0.000 0.828 77 D CB -0.792 39.994 40.800 -0.023 0.000 0.968 77 D HN 0.674 nan 8.370 nan 0.000 0.448 78 E N 0.698 120.858 120.200 -0.067 0.000 2.153 78 E HA -0.237 4.113 4.350 -0.001 0.000 0.194 78 E C 1.923 178.486 176.600 -0.062 0.000 0.988 78 E CA 0.963 57.333 56.400 -0.051 0.000 0.811 78 E CB -0.361 29.330 29.700 -0.015 0.000 0.746 78 E HN 0.348 nan 8.360 nan 0.000 0.466 79 Q N 0.717 120.477 119.800 -0.067 0.000 2.079 79 Q HA -0.088 4.252 4.340 -0.001 0.000 0.200 79 Q C 2.446 178.390 176.000 -0.093 0.000 0.974 79 Q CA 1.595 57.371 55.803 -0.045 0.000 0.840 79 Q CB 0.063 28.805 28.738 0.007 0.000 0.898 79 Q HN 0.184 nan 8.270 nan 0.000 0.430 80 V N 0.816 120.586 119.914 -0.239 0.000 2.343 80 V HA -0.285 3.835 4.120 -0.001 0.000 0.247 80 V C 2.299 178.305 176.094 -0.147 0.000 1.051 80 V CA 2.038 64.187 62.300 -0.251 0.000 1.036 80 V CB -0.499 31.032 31.823 -0.488 0.000 0.654 80 V HN 0.303 nan 8.190 nan 0.000 0.451 81 R N 0.077 120.496 120.500 -0.136 0.000 2.075 81 R HA -0.152 4.188 4.340 -0.001 0.000 0.232 81 R C 2.272 178.544 176.300 -0.048 0.000 1.126 81 R CA 1.707 57.755 56.100 -0.087 0.000 0.963 81 R CB -0.178 30.075 30.300 -0.077 0.000 0.858 81 R HN 0.619 nan 8.270 nan 0.000 0.435 82 E N 0.716 120.896 120.200 -0.033 0.000 2.110 82 E HA -0.229 4.121 4.350 -0.001 0.000 0.193 82 E C 2.123 178.734 176.600 0.018 0.000 0.988 82 E CA 1.200 57.597 56.400 -0.005 0.000 0.804 82 E CB -0.226 29.476 29.700 0.003 0.000 0.745 82 E HN 0.379 nan 8.360 nan 0.000 0.458 83 L N 1.294 122.531 121.223 0.024 0.000 2.012 83 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 83 L C 2.469 179.374 176.870 0.058 0.000 1.073 83 L CA 1.533 56.419 54.840 0.077 0.000 0.748 83 L CB -0.048 42.062 42.059 0.084 0.000 0.891 83 L HN 0.021 nan 8.230 nan 0.000 0.431 84 R N -0.447 120.048 120.500 -0.008 0.000 2.092 84 R HA -0.138 4.202 4.340 -0.001 0.000 0.231 84 R C 2.097 178.394 176.300 -0.005 0.000 1.119 84 R CA 1.499 57.580 56.100 -0.032 0.000 0.970 84 R CB -0.330 29.926 30.300 -0.073 0.000 0.864 84 R HN 0.522 nan 8.270 nan 0.000 0.440 85 E N 0.614 120.814 120.200 0.000 0.000 2.072 85 E HA -0.122 4.228 4.350 -0.001 0.000 0.191 85 E C 2.107 178.723 176.600 0.027 0.000 0.985 85 E CA 0.811 57.214 56.400 0.005 0.000 0.801 85 E CB 0.065 29.764 29.700 -0.000 0.000 0.750 85 E HN 0.242 nan 8.360 nan 0.000 0.452 86 R N 0.230 120.758 120.500 0.046 0.000 2.096 86 R HA -0.081 4.259 4.340 -0.001 0.000 0.235 86 R C 2.269 178.627 176.300 0.096 0.000 1.127 86 R CA 1.073 57.210 56.100 0.061 0.000 0.968 86 R CB -0.188 30.156 30.300 0.073 0.000 0.861 86 R HN 0.084 nan 8.270 nan 0.000 0.440 87 A N 1.157 124.063 122.820 0.144 0.000 2.015 87 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 87 A C 1.771 179.470 177.584 0.191 0.000 1.163 87 A CA 1.115 53.308 52.037 0.259 0.000 0.646 87 A CB -0.160 18.987 19.000 0.245 0.000 0.806 87 A HN 0.195 nan 8.150 nan 0.000 0.448 88 K N -0.118 120.330 120.400 0.080 0.000 2.147 88 K HA -0.107 4.213 4.320 -0.001 0.000 0.205 88 K C 1.182 177.813 176.600 0.052 0.000 1.049 88 K CA 1.244 57.558 56.287 0.046 0.000 0.936 88 K CB -0.027 32.480 32.500 0.011 0.000 0.722 88 K HN 0.399 nan 8.250 nan 0.000 0.446 89 E N 0.423 120.649 120.200 0.043 0.000 2.502 89 E HA 0.026 4.376 4.350 -0.001 0.000 0.194 89 E C 0.337 176.917 176.600 -0.034 0.000 1.062 89 E CA 0.411 56.819 56.400 0.013 0.000 0.867 89 E CB 0.093 29.800 29.700 0.012 0.000 0.888 89 E HN 0.345 nan 8.360 nan 0.000 0.510 90 I N 4.088 124.654 120.570 -0.007 0.000 2.315 90 I HA 0.147 4.316 4.170 -0.001 0.000 0.291 90 I C -2.115 173.993 176.117 -0.015 0.000 1.006 90 I CA -2.190 58.999 61.300 -0.186 0.000 1.265 90 I CB 1.234 39.062 38.000 -0.287 0.000 1.387 90 I HN -0.248 nan 8.210 nan 0.000 0.475 91 P HA 0.100 nan 4.420 nan 0.000 0.274 91 P C -0.189 177.223 177.300 0.186 0.000 1.237 91 P CA -0.215 62.880 63.100 -0.007 0.000 0.793 91 P CB 1.131 32.772 31.700 -0.099 0.000 0.977 92 D N 0.896 121.421 120.400 0.207 0.000 2.133 92 D HA -0.179 4.460 4.640 -0.001 0.000 0.195 92 D C 1.145 177.573 176.300 0.215 0.000 0.997 92 D CA 1.562 55.715 54.000 0.254 0.000 0.840 92 D CB -0.556 40.339 40.800 0.158 0.000 0.947 92 D HN 0.414 nan 8.370 nan 0.000 0.452 93 D N -0.373 120.104 120.400 0.130 0.000 2.160 93 D HA -0.238 4.402 4.640 -0.001 0.000 0.189 93 D C 1.897 178.263 176.300 0.110 0.000 1.003 93 D CA 1.068 55.117 54.000 0.082 0.000 0.846 93 D CB -0.708 40.139 40.800 0.078 0.000 0.949 93 D HN 0.336 nan 8.370 nan 0.000 0.446 94 Y N -0.095 120.186 120.300 -0.031 0.000 2.242 94 Y HA -0.121 4.429 4.550 -0.001 0.000 0.291 94 Y C 2.004 177.848 175.900 -0.095 0.000 1.137 94 Y CA 1.057 59.104 58.100 -0.090 0.000 1.181 94 Y CB -0.472 37.863 38.460 -0.208 0.000 0.989 94 Y HN -0.116 nan 8.280 nan 0.000 0.527 95 F N -0.808 119.322 119.950 0.300 0.000 2.171 95 F HA -0.228 4.299 4.527 -0.000 0.000 0.300 95 F C 2.425 178.296 175.800 0.118 0.000 1.090 95 F CA 1.553 59.682 58.000 0.216 0.000 1.293 95 F CB -1.003 38.104 39.000 0.178 0.000 1.013 95 F HN -0.116 nan 8.300 nan 0.000 0.486 96 V N -0.486 119.577 119.914 0.248 0.000 2.252 96 V HA -0.330 3.790 4.120 -0.001 0.000 0.249 96 V C 2.306 178.566 176.094 0.277 0.000 1.056 96 V CA 1.889 64.296 62.300 0.178 0.000 1.022 96 V CB -0.880 30.816 31.823 -0.213 0.000 0.641 96 V HN 0.165 nan 8.190 nan 0.000 0.445 97 V N -0.577 119.440 119.914 0.171 0.000 2.261 97 V HA -0.240 3.880 4.120 -0.001 0.000 0.246 97 V C 2.356 178.552 176.094 0.171 0.000 1.047 97 V CA 2.092 64.550 62.300 0.264 0.000 1.015 97 V CB -0.669 31.113 31.823 -0.068 0.000 0.642 97 V HN 0.509 nan 8.190 nan 0.000 0.446 98 L N -0.126 121.055 121.223 -0.071 0.000 2.127 98 L HA -0.131 4.209 4.340 -0.001 0.000 0.211 98 L C 2.271 179.140 176.870 -0.002 0.000 1.089 98 L CA 1.762 56.560 54.840 -0.070 0.000 0.757 98 L CB -0.410 41.584 42.059 -0.108 0.000 0.899 98 L HN 0.127 nan 8.230 nan 0.000 0.434 99 V N -0.529 119.368 119.914 -0.029 0.000 2.379 99 V HA -0.122 3.997 4.120 -0.001 0.000 0.245 99 V C 2.554 178.331 176.094 -0.529 0.000 1.044 99 V CA 1.565 63.717 62.300 -0.246 0.000 1.036 99 V CB -1.241 30.389 31.823 -0.321 0.000 0.664 99 V HN 0.602 nan 8.190 nan 0.000 0.453 100 G N -0.260 108.189 108.800 -0.586 0.000 2.418 100 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.217 100 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.217 100 G C 1.248 175.855 174.900 -0.489 0.000 1.158 100 G CA 1.058 45.547 45.100 -1.018 0.000 0.771 100 G HN 0.487 nan 8.290 nan 0.000 0.545 101 D N 0.133 120.463 120.400 -0.117 0.000 2.097 101 D HA -0.123 4.517 4.640 -0.001 0.000 0.195 101 D C 2.363 178.700 176.300 0.060 0.000 0.989 101 D CA 0.797 54.825 54.000 0.047 0.000 0.827 101 D CB -0.339 40.509 40.800 0.079 0.000 0.966 101 D HN 0.200 nan 8.370 nan 0.000 0.456 102 M N 0.743 120.347 119.600 0.006 0.000 2.086 102 M HA -0.146 4.333 4.480 -0.001 0.000 0.261 102 M C 2.156 178.448 176.300 -0.013 0.000 1.067 102 M CA 1.199 56.516 55.300 0.027 0.000 1.116 102 M CB -0.536 32.071 32.600 0.011 0.000 1.348 102 M HN -0.031 nan 8.290 nan 0.000 0.407 103 I N 0.104 120.589 120.570 -0.142 0.000 2.163 103 I HA -0.338 3.831 4.170 -0.001 0.000 0.243 103 I C 2.210 178.342 176.117 0.026 0.000 1.085 103 I CA 1.865 63.095 61.300 -0.117 0.000 1.347 103 I CB -0.861 36.982 38.000 -0.262 0.000 1.044 103 I HN 0.321 nan 8.210 nan 0.000 0.408 104 T N 0.290 114.882 114.554 0.064 0.000 2.665 104 T HA -0.196 4.154 4.350 -0.001 0.000 0.268 104 T C 1.791 176.691 174.700 0.333 0.000 1.035 104 T CA 1.418 63.654 62.100 0.228 0.000 1.151 104 T CB -0.248 68.754 68.868 0.223 0.000 0.862 104 T HN 0.367 nan 8.240 nan 0.000 0.438 105 E N 1.050 121.405 120.200 0.257 0.000 2.110 105 E HA -0.114 4.235 4.350 -0.001 0.000 0.193 105 E C 2.264 178.978 176.600 0.189 0.000 0.988 105 E CA 0.817 57.384 56.400 0.278 0.000 0.804 105 E CB -0.178 29.666 29.700 0.240 0.000 0.745 105 E HN 0.566 nan 8.360 nan 0.000 0.458 106 E N 0.373 120.639 120.200 0.110 0.000 2.347 106 E HA -0.051 4.299 4.350 -0.001 0.000 0.196 106 E C 1.453 178.048 176.600 -0.009 0.000 1.008 106 E CA 0.433 56.858 56.400 0.042 0.000 0.852 106 E CB 0.037 29.747 29.700 0.018 0.000 0.783 106 E HN 0.118 nan 8.360 nan 0.000 0.505 107 A N 1.191 124.002 122.820 -0.016 0.000 2.291 107 A HA 0.012 4.331 4.320 -0.001 0.000 0.220 107 A C 1.894 179.129 177.584 -0.582 0.000 1.262 107 A CA -0.068 51.851 52.037 -0.196 0.000 0.867 107 A CB -0.491 18.445 19.000 -0.108 0.000 0.888 107 A HN 0.168 nan 8.150 nan 0.000 0.487 108 L N 0.904 121.917 121.223 -0.350 0.000 2.054 108 L HA -0.178 4.162 4.340 -0.001 0.000 0.220 108 L C -0.775 175.952 176.870 -0.238 0.000 1.081 108 L CA 2.936 57.621 54.840 -0.258 0.000 0.780 108 L CB -1.329 40.702 42.059 -0.047 0.000 0.893 108 L HN 0.210 nan 8.230 nan 0.000 0.438 109 P HA -0.142 nan 4.420 nan 0.000 0.216 109 P C 1.668 178.917 177.300 -0.086 0.000 1.150 109 P CA 2.078 65.130 63.100 -0.080 0.000 0.843 109 P CB -0.243 31.417 31.700 -0.067 0.000 0.787 110 T N -1.425 112.999 114.554 -0.217 0.000 2.737 110 T HA -0.202 4.148 4.350 -0.001 0.000 0.269 110 T C 1.316 176.035 174.700 0.031 0.000 1.040 110 T CA 1.529 63.542 62.100 -0.144 0.000 1.142 110 T CB -0.913 67.835 68.868 -0.201 0.000 0.861 110 T HN 0.120 nan 8.240 nan 0.000 0.456 111 Y N 1.090 121.508 120.300 0.197 0.000 2.337 111 Y HA 0.108 4.658 4.550 -0.001 0.000 0.293 111 Y C 2.576 178.635 175.900 0.265 0.000 1.123 111 Y CA -0.278 57.986 58.100 0.273 0.000 1.201 111 Y CB -0.971 37.767 38.460 0.464 0.000 1.011 111 Y HN 0.260 nan 8.280 nan 0.000 0.545 112 Q N 0.008 120.030 119.800 0.369 0.000 2.079 112 Q HA -0.155 4.185 4.340 -0.001 0.000 0.200 112 Q C 1.828 177.929 176.000 0.169 0.000 0.974 112 Q CA 2.069 58.045 55.803 0.288 0.000 0.840 112 Q CB -0.064 28.803 28.738 0.215 0.000 0.898 112 Q HN 0.409 nan 8.270 nan 0.000 0.430 113 T N 0.879 115.506 114.554 0.122 0.000 2.746 113 T HA -0.153 4.196 4.350 -0.001 0.000 0.267 113 T C 1.752 176.487 174.700 0.058 0.000 1.039 113 T CA 1.535 63.678 62.100 0.072 0.000 1.142 113 T CB -0.153 68.742 68.868 0.046 0.000 0.866 113 T HN 0.328 nan 8.240 nan 0.000 0.444 114 M N 0.377 120.032 119.600 0.090 0.000 2.144 114 M HA -0.088 4.392 4.480 -0.001 0.000 0.260 114 M C 2.088 178.368 176.300 -0.032 0.000 1.067 114 M CA 1.651 56.973 55.300 0.037 0.000 1.095 114 M CB -0.568 32.097 32.600 0.108 0.000 1.365 114 M HN 0.229 nan 8.290 nan 0.000 0.406 115 L N -0.598 120.628 121.223 0.004 0.000 2.131 115 L HA -0.114 4.226 4.340 -0.001 0.000 0.206 115 L C 1.710 178.572 176.870 -0.014 0.000 1.087 115 L CA 0.563 55.387 54.840 -0.026 0.000 0.767 115 L CB -0.583 41.514 42.059 0.063 0.000 0.917 115 L HN 0.279 nan 8.230 nan 0.000 0.441 116 N N -0.375 118.343 118.700 0.030 0.000 2.571 116 N HA -0.078 4.661 4.740 -0.001 0.000 0.189 116 N C 1.551 177.054 175.510 -0.012 0.000 1.154 116 N CA 1.230 54.296 53.050 0.027 0.000 0.907 116 N CB -0.038 38.482 38.487 0.056 0.000 0.977 116 N HN 0.434 nan 8.380 nan 0.000 0.449 117 T N -2.867 111.655 114.554 -0.053 0.000 3.044 117 T HA 0.215 4.564 4.350 -0.001 0.000 0.250 117 T C 0.840 175.469 174.700 -0.117 0.000 1.081 117 T CA -0.165 61.890 62.100 -0.074 0.000 1.040 117 T CB 0.077 68.888 68.868 -0.095 0.000 0.962 117 T HN -0.041 nan 8.240 nan 0.000 0.506 118 L N 2.498 123.614 121.223 -0.179 0.000 2.360 118 L HA 0.288 4.627 4.340 -0.001 0.000 0.276 118 L C 1.103 177.827 176.870 -0.242 0.000 1.121 118 L CA -0.665 54.006 54.840 -0.282 0.000 0.845 118 L CB 0.470 42.241 42.059 -0.480 0.000 1.143 118 L HN -0.013 nan 8.230 nan 0.000 0.452 119 D N 3.474 123.747 120.400 -0.211 0.000 2.092 119 D HA -0.138 4.502 4.640 -0.001 0.000 0.193 119 D C 1.727 177.923 176.300 -0.174 0.000 0.994 119 D CA 1.903 55.829 54.000 -0.124 0.000 0.828 119 D CB 0.201 40.969 40.800 -0.053 0.000 0.963 119 D HN 0.850 nan 8.370 nan 0.000 0.450 120 G N -0.127 108.469 108.800 -0.339 0.000 3.141 120 G HA2 0.160 4.119 3.960 -0.001 0.000 0.218 120 G HA3 0.160 4.119 3.960 -0.001 0.000 0.218 120 G C 1.272 175.949 174.900 -0.371 0.000 1.170 120 G CA 0.525 45.453 45.100 -0.287 0.000 0.769 120 G HN 0.320 nan 8.290 nan 0.000 0.546 121 V N -2.762 116.917 119.914 -0.391 0.000 3.426 121 V HA 0.361 4.481 4.120 -0.001 0.000 0.279 121 V C 0.973 177.061 176.094 -0.010 0.000 1.544 121 V CA -0.277 61.826 62.300 -0.327 0.000 1.017 121 V CB -0.381 31.138 31.823 -0.507 0.000 0.821 121 V HN 0.301 nan 8.190 nan 0.000 0.432 122 R N 1.654 122.134 120.500 -0.034 0.000 2.756 122 R HA 0.060 4.399 4.340 -0.001 0.000 0.264 122 R C -0.499 175.857 176.300 0.094 0.000 1.026 122 R CA 0.404 56.524 56.100 0.034 0.000 1.121 122 R CB 0.213 30.517 30.300 0.006 0.000 0.999 122 R HN 0.346 nan 8.270 nan 0.000 0.449 123 D N 1.868 122.333 120.400 0.108 0.000 2.336 123 D HA 0.010 4.649 4.640 -0.001 0.000 0.249 123 D C 0.277 176.624 176.300 0.078 0.000 1.213 123 D CA -0.123 53.944 54.000 0.112 0.000 0.870 123 D CB 0.982 41.852 40.800 0.116 0.000 1.076 123 D HN 0.518 nan 8.370 nan 0.000 0.483 124 E N 1.924 122.168 120.200 0.073 0.000 2.482 124 E HA -0.037 4.312 4.350 -0.001 0.000 0.196 124 E C 1.189 177.816 176.600 0.046 0.000 1.047 124 E CA 0.623 57.055 56.400 0.053 0.000 0.869 124 E CB 0.432 30.162 29.700 0.051 0.000 0.836 124 E HN 0.663 nan 8.360 nan 0.000 0.520 125 T N -5.302 109.282 114.554 0.050 0.000 3.051 125 T HA 0.341 4.691 4.350 -0.001 0.000 0.254 125 T C 1.478 176.202 174.700 0.040 0.000 0.916 125 T CA 0.544 62.668 62.100 0.041 0.000 0.894 125 T CB 1.026 69.918 68.868 0.040 0.000 1.251 125 T HN 0.149 nan 8.240 nan 0.000 0.517 126 G N 1.235 110.065 108.800 0.049 0.000 2.201 126 G HA2 0.170 4.130 3.960 -0.001 0.000 0.212 126 G HA3 0.170 4.130 3.960 -0.001 0.000 0.212 126 G C 0.460 175.388 174.900 0.047 0.000 0.994 126 G CA -0.082 45.047 45.100 0.047 0.000 0.644 126 G HN 1.589 nan 8.290 nan 0.000 0.508 127 A N -0.164 122.685 122.820 0.050 0.000 2.758 127 A HA 0.728 5.048 4.320 -0.001 0.000 0.223 127 A C 0.318 177.935 177.584 0.054 0.000 0.877 127 A CA 1.337 53.403 52.037 0.047 0.000 1.152 127 A CB -0.104 18.916 19.000 0.033 0.000 1.239 127 A HN 1.580 nan 8.150 nan 0.000 0.470 128 S N 1.145 116.888 115.700 0.071 0.000 2.516 128 S HA 0.346 4.816 4.470 -0.001 0.000 0.282 128 S C -1.423 173.225 174.600 0.081 0.000 1.286 128 S CA -0.743 57.505 58.200 0.079 0.000 1.066 128 S CB 0.552 63.812 63.200 0.101 0.000 0.884 128 S HN 0.270 nan 8.310 nan 0.000 0.491 129 P HA 0.022 nan 4.420 nan 0.000 0.236 129 P C 0.405 177.744 177.300 0.064 0.000 1.172 129 P CA 0.378 63.511 63.100 0.056 0.000 0.759 129 P CB -0.497 31.229 31.700 0.042 0.000 0.843 130 T N -4.181 110.432 114.554 0.097 0.000 2.898 130 T HA 0.125 4.475 4.350 -0.001 0.000 0.301 130 T C 1.430 176.175 174.700 0.075 0.000 1.049 130 T CA -0.242 61.923 62.100 0.109 0.000 1.095 130 T CB 0.648 69.644 68.868 0.213 0.000 0.976 130 T HN -0.137 nan 8.240 nan 0.000 0.539 131 S N 1.110 116.784 115.700 -0.043 0.000 2.370 131 S HA -0.109 4.361 4.470 -0.001 0.000 0.226 131 S C 1.521 176.098 174.600 -0.039 0.000 1.033 131 S CA 1.452 59.562 58.200 -0.150 0.000 1.011 131 S CB -0.633 62.329 63.200 -0.396 0.000 0.852 131 S HN 0.885 nan 8.310 nan 0.000 0.457 132 W N 1.651 123.058 121.300 0.177 0.000 2.379 132 W HA -0.004 4.656 4.660 0.000 0.000 0.307 132 W C 2.842 179.516 176.519 0.259 0.000 1.200 132 W CA 0.514 57.993 57.345 0.223 0.000 1.297 132 W CB -0.591 28.991 29.460 0.203 0.000 1.140 132 W HN 0.262 nan 8.180 nan 0.000 0.507 133 A N 0.424 123.489 122.820 0.410 0.000 1.933 133 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 133 A C 1.832 179.555 177.584 0.231 0.000 1.175 133 A CA 1.545 53.752 52.037 0.284 0.000 0.628 133 A CB -0.930 18.192 19.000 0.203 0.000 0.814 133 A HN 0.312 nan 8.150 nan 0.000 0.444 134 I N -1.358 119.331 120.570 0.198 0.000 2.179 134 I HA -0.290 3.879 4.170 -0.001 0.000 0.242 134 I C 2.542 178.766 176.117 0.177 0.000 1.088 134 I CA 1.580 62.966 61.300 0.143 0.000 1.357 134 I CB -0.370 37.688 38.000 0.095 0.000 1.051 134 I HN 0.764 nan 8.210 nan 0.000 0.409 135 W N 2.011 123.367 121.300 0.094 0.000 2.333 135 W HA -0.264 4.396 4.660 -0.001 0.000 0.316 135 W C 2.340 178.977 176.519 0.198 0.000 1.215 135 W CA 2.244 59.660 57.345 0.118 0.000 1.278 135 W CB -0.750 28.778 29.460 0.113 0.000 1.154 135 W HN 0.091 nan 8.180 nan 0.000 0.486 136 T N 1.308 116.038 114.554 0.292 0.000 2.699 136 T HA -0.239 4.111 4.350 -0.001 0.000 0.268 136 T C 1.952 176.731 174.700 0.131 0.000 1.036 136 T CA 2.137 64.373 62.100 0.227 0.000 1.147 136 T CB -0.364 68.692 68.868 0.315 0.000 0.862 136 T HN 0.186 nan 8.240 nan 0.000 0.446 137 R N 0.353 120.907 120.500 0.091 0.000 2.090 137 R HA 0.103 4.442 4.340 -0.001 0.000 0.228 137 R C 2.737 179.015 176.300 -0.037 0.000 1.110 137 R CA 1.156 57.284 56.100 0.046 0.000 0.973 137 R CB -0.306 30.022 30.300 0.047 0.000 0.869 137 R HN 0.354 nan 8.270 nan 0.000 0.440 138 A N -0.129 122.633 122.820 -0.097 0.000 1.970 138 A HA -0.166 4.153 4.320 -0.001 0.000 0.216 138 A C 1.814 179.228 177.584 -0.283 0.000 1.170 138 A CA 0.706 52.641 52.037 -0.170 0.000 0.645 138 A CB -0.676 18.233 19.000 -0.151 0.000 0.816 138 A HN 0.603 nan 8.150 nan 0.000 0.447 139 W N 1.175 122.079 121.300 -0.660 0.000 2.358 139 W HA -0.144 4.516 4.660 -0.001 0.000 0.303 139 W C 2.011 178.290 176.519 -0.401 0.000 1.208 139 W CA 2.322 59.204 57.345 -0.772 0.000 1.274 139 W CB -0.348 28.429 29.460 -1.138 0.000 1.138 139 W HN 0.237 nan 8.180 nan 0.000 0.515 140 T N 0.736 115.224 114.554 -0.111 0.000 2.737 140 T HA -0.186 4.164 4.350 -0.001 0.000 0.265 140 T C 1.991 176.501 174.700 -0.318 0.000 1.038 140 T CA 2.036 64.012 62.100 -0.206 0.000 1.144 140 T CB -0.935 67.980 68.868 0.079 0.000 0.866 140 T HN 0.260 nan 8.240 nan 0.000 0.434 141 A N 1.541 124.220 122.820 -0.235 0.000 1.940 141 A HA -0.182 4.137 4.320 -0.001 0.000 0.219 141 A C 2.193 179.590 177.584 -0.312 0.000 1.176 141 A CA 1.783 53.685 52.037 -0.225 0.000 0.631 141 A CB -0.553 18.346 19.000 -0.168 0.000 0.814 141 A HN 0.580 nan 8.150 nan 0.000 0.446 142 E N -0.591 119.376 120.200 -0.388 0.000 2.047 142 E HA -0.166 4.183 4.350 -0.001 0.000 0.191 142 E C 2.029 178.276 176.600 -0.589 0.000 0.987 142 E CA 1.065 57.219 56.400 -0.411 0.000 0.799 142 E CB -0.138 29.392 29.700 -0.283 0.000 0.752 142 E HN 0.532 nan 8.360 nan 0.000 0.449 143 E N 0.822 120.539 120.200 -0.805 0.000 2.110 143 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 143 E C 1.802 178.077 176.600 -0.543 0.000 0.988 143 E CA 0.804 56.640 56.400 -0.939 0.000 0.804 143 E CB -0.377 28.752 29.700 -0.952 0.000 0.745 143 E HN 0.166 nan 8.360 nan 0.000 0.458 144 N N 1.350 119.832 118.700 -0.363 0.000 2.205 144 N HA -0.174 4.566 4.740 -0.001 0.000 0.186 144 N C 1.545 176.992 175.510 -0.104 0.000 1.015 144 N CA 1.154 54.091 53.050 -0.187 0.000 0.862 144 N CB 0.034 38.424 38.487 -0.160 0.000 0.986 144 N HN 0.120 nan 8.380 nan 0.000 0.429 145 R N -1.377 119.040 120.500 -0.138 0.000 2.236 145 R HA 0.004 4.344 4.340 -0.001 0.000 0.208 145 R C 1.504 177.962 176.300 0.264 0.000 1.036 145 R CA 0.840 56.927 56.100 -0.023 0.000 1.001 145 R CB -0.524 29.582 30.300 -0.322 0.000 0.896 145 R HN 0.602 nan 8.270 nan 0.000 0.464 146 H N 0.341 119.466 119.070 0.091 0.000 2.333 146 H HA 0.001 4.556 4.556 -0.001 0.000 0.302 146 H C 2.395 177.779 175.328 0.094 0.000 1.075 146 H CA 0.615 56.745 56.048 0.137 0.000 1.348 146 H CB 0.047 29.846 29.762 0.062 0.000 1.393 146 H HN 0.355 nan 8.280 nan 0.000 0.509 147 G N 1.001 109.922 108.800 0.203 0.000 2.433 147 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.216 147 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.216 147 G C 1.122 176.092 174.900 0.116 0.000 1.186 147 G CA 1.217 46.394 45.100 0.129 0.000 0.779 147 G HN 0.296 nan 8.290 nan 0.000 0.543 148 D N -0.155 120.310 120.400 0.107 0.000 2.133 148 D HA -0.114 4.526 4.640 -0.001 0.000 0.195 148 D C 2.325 178.717 176.300 0.153 0.000 0.997 148 D CA 0.724 54.787 54.000 0.104 0.000 0.840 148 D CB -0.253 40.599 40.800 0.086 0.000 0.947 148 D HN 0.255 nan 8.370 nan 0.000 0.452 149 L N 0.042 121.388 121.223 0.205 0.000 2.044 149 L HA 0.004 4.344 4.340 -0.001 0.000 0.205 149 L C 1.981 178.971 176.870 0.200 0.000 1.075 149 L CA 1.371 56.347 54.840 0.227 0.000 0.747 149 L CB -0.543 41.677 42.059 0.268 0.000 0.903 149 L HN 0.030 nan 8.230 nan 0.000 0.435 150 L N -0.053 121.268 121.223 0.163 0.000 2.141 150 L HA -0.171 4.169 4.340 -0.001 0.000 0.209 150 L C 2.501 179.498 176.870 0.212 0.000 1.094 150 L CA 1.158 56.108 54.840 0.183 0.000 0.763 150 L CB -0.817 41.318 42.059 0.125 0.000 0.908 150 L HN 0.477 nan 8.230 nan 0.000 0.437 151 N N 0.928 119.722 118.700 0.156 0.000 2.039 151 N HA -0.226 4.513 4.740 -0.001 0.000 0.193 151 N C 1.843 177.455 175.510 0.169 0.000 1.044 151 N CA 1.690 54.817 53.050 0.129 0.000 0.847 151 N CB 0.078 38.613 38.487 0.080 0.000 1.030 151 N HN 0.117 nan 8.380 nan 0.000 0.422 152 K N -0.302 120.203 120.400 0.174 0.000 2.152 152 K HA -0.161 4.159 4.320 -0.001 0.000 0.206 152 K C 1.993 178.741 176.600 0.245 0.000 1.048 152 K CA 0.981 57.392 56.287 0.207 0.000 0.933 152 K CB -0.485 32.127 32.500 0.187 0.000 0.721 152 K HN 0.313 nan 8.250 nan 0.000 0.447 153 Y N 0.730 121.132 120.300 0.169 0.000 2.145 153 Y HA -0.166 4.384 4.550 -0.000 0.000 0.286 153 Y C 1.460 177.467 175.900 0.178 0.000 1.145 153 Y CA 1.523 59.720 58.100 0.162 0.000 1.148 153 Y CB -0.147 38.392 38.460 0.131 0.000 0.981 153 Y HN -0.062 nan 8.280 nan 0.000 0.507 154 L N -1.174 120.060 121.223 0.018 0.000 2.093 154 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 154 L C 2.331 179.157 176.870 -0.073 0.000 1.085 154 L CA 1.605 56.424 54.840 -0.036 0.000 0.755 154 L CB -0.919 41.214 42.059 0.123 0.000 0.904 154 L HN 0.310 nan 8.230 nan 0.000 0.435 155 Y N 0.944 121.203 120.300 -0.068 0.000 2.097 155 Y HA -0.258 4.292 4.550 -0.001 0.000 0.282 155 Y C 2.320 178.178 175.900 -0.071 0.000 1.152 155 Y CA 1.628 59.702 58.100 -0.043 0.000 1.136 155 Y CB -0.243 38.218 38.460 0.002 0.000 0.975 155 Y HN -0.018 nan 8.280 nan 0.000 0.498 156 L N 0.107 121.275 121.223 -0.091 0.000 2.275 156 L HA -0.183 4.157 4.340 -0.001 0.000 0.215 156 L C 2.689 179.395 176.870 -0.274 0.000 1.119 156 L CA 1.348 56.082 54.840 -0.178 0.000 0.790 156 L CB -0.791 41.260 42.059 -0.014 0.000 0.919 156 L HN 0.415 nan 8.230 nan 0.000 0.443 157 S N -0.285 115.209 115.700 -0.343 0.000 2.402 157 S HA -0.082 4.388 4.470 -0.001 0.000 0.229 157 S C 1.849 176.292 174.600 -0.261 0.000 1.021 157 S CA 0.845 58.845 58.200 -0.333 0.000 0.974 157 S CB -0.358 62.585 63.200 -0.428 0.000 0.800 157 S HN 0.531 nan 8.310 nan 0.000 0.484 158 G N 1.626 110.267 108.800 -0.266 0.000 2.189 158 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.267 158 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.267 158 G C 1.002 175.804 174.900 -0.163 0.000 0.975 158 G CA 0.520 45.502 45.100 -0.196 0.000 0.644 158 G HN 0.497 nan 8.290 nan 0.000 0.537 159 R N -0.276 120.042 120.500 -0.303 0.000 2.275 159 R HA 0.254 4.594 4.340 -0.001 0.000 0.199 159 R C 1.258 177.418 176.300 -0.233 0.000 0.989 159 R CA 1.346 57.201 56.100 -0.409 0.000 1.016 159 R CB -0.143 29.525 30.300 -1.054 0.000 0.918 159 R HN 1.047 nan 8.270 nan 0.000 0.473 160 V N -2.177 117.657 119.914 -0.133 0.000 3.102 160 V HA 0.422 4.542 4.120 -0.001 0.000 0.312 160 V C -0.926 175.058 176.094 -0.183 0.000 1.135 160 V CA -1.362 60.870 62.300 -0.114 0.000 1.022 160 V CB 2.752 34.515 31.823 -0.099 0.000 1.056 160 V HN -0.186 nan 8.190 nan 0.000 0.436 161 D N 3.261 123.352 120.400 -0.515 0.000 2.479 161 D HA 0.309 4.948 4.640 -0.001 0.000 0.218 161 D C 1.030 177.203 176.300 -0.212 0.000 1.131 161 D CA -0.491 53.081 54.000 -0.713 0.000 0.916 161 D CB 1.220 41.235 40.800 -1.308 0.000 1.022 161 D HN 0.510 nan 8.370 nan 0.000 0.515 162 M N 2.437 122.004 119.600 -0.055 0.000 2.267 162 M HA -0.121 4.359 4.480 -0.001 0.000 0.263 162 M C 1.895 178.209 176.300 0.023 0.000 1.063 162 M CA 1.031 56.344 55.300 0.021 0.000 1.090 162 M CB -0.623 32.053 32.600 0.128 0.000 1.392 162 M HN 0.452 nan 8.290 nan 0.000 0.422 163 R N -0.191 120.323 120.500 0.023 0.000 2.073 163 R HA -0.123 4.217 4.340 -0.001 0.000 0.229 163 R C 2.132 178.451 176.300 0.031 0.000 1.120 163 R CA 1.006 57.125 56.100 0.032 0.000 0.967 163 R CB 0.131 30.458 30.300 0.045 0.000 0.862 163 R HN 0.294 nan 8.270 nan 0.000 0.436 164 Q N 0.383 120.200 119.800 0.028 0.000 2.167 164 Q HA -0.095 4.245 4.340 -0.001 0.000 0.202 164 Q C 2.059 178.165 176.000 0.177 0.000 0.970 164 Q CA 1.176 57.037 55.803 0.097 0.000 0.855 164 Q CB 0.017 28.810 28.738 0.092 0.000 0.911 164 Q HN 0.457 nan 8.270 nan 0.000 0.438 165 I N 0.298 120.920 120.570 0.087 0.000 2.286 165 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 165 I C 1.995 178.113 176.117 0.002 0.000 1.104 165 I CA 0.889 62.173 61.300 -0.027 0.000 1.397 165 I CB -0.139 37.768 38.000 -0.154 0.000 1.072 165 I HN 0.185 nan 8.210 nan 0.000 0.417 166 E N 0.781 120.989 120.200 0.012 0.000 2.118 166 E HA -0.293 4.056 4.350 -0.001 0.000 0.195 166 E C 2.083 178.695 176.600 0.020 0.000 0.992 166 E CA 1.274 57.679 56.400 0.008 0.000 0.804 166 E CB -0.029 29.674 29.700 0.005 0.000 0.741 166 E HN 0.310 nan 8.360 nan 0.000 0.458 167 K N 0.265 120.692 120.400 0.045 0.000 2.062 167 K HA -0.091 4.229 4.320 -0.001 0.000 0.205 167 K C 2.083 178.788 176.600 0.176 0.000 1.051 167 K CA 1.552 57.865 56.287 0.044 0.000 0.941 167 K CB 0.038 32.571 32.500 0.056 0.000 0.719 167 K HN -0.028 nan 8.250 nan 0.000 0.440 168 T N 1.434 116.139 114.554 0.253 0.000 2.720 168 T HA -0.136 4.214 4.350 -0.001 0.000 0.268 168 T C 1.756 176.604 174.700 0.247 0.000 1.037 168 T CA 1.659 63.965 62.100 0.344 0.000 1.144 168 T CB -0.224 68.899 68.868 0.425 0.000 0.864 168 T HN 0.179 nan 8.240 nan 0.000 0.444 169 I N 0.953 121.596 120.570 0.121 0.000 2.163 169 I HA -0.238 3.932 4.170 -0.001 0.000 0.243 169 I C 2.875 179.033 176.117 0.069 0.000 1.085 169 I CA 1.470 62.812 61.300 0.071 0.000 1.347 169 I CB -0.455 37.554 38.000 0.015 0.000 1.044 169 I HN 0.282 nan 8.210 nan 0.000 0.408 170 Q N 0.057 119.875 119.800 0.030 0.000 2.170 170 Q HA -0.231 4.109 4.340 -0.001 0.000 0.203 170 Q C 2.235 178.242 176.000 0.010 0.000 0.976 170 Q CA 1.667 57.454 55.803 -0.026 0.000 0.858 170 Q CB -0.036 28.634 28.738 -0.113 0.000 0.907 170 Q HN 0.464 nan 8.270 nan 0.000 0.433 171 Y N -0.132 120.219 120.300 0.085 0.000 2.200 171 Y HA -0.221 4.328 4.550 -0.001 0.000 0.290 171 Y C 1.992 177.953 175.900 0.103 0.000 1.137 171 Y CA 0.997 59.173 58.100 0.127 0.000 1.163 171 Y CB -0.285 38.311 38.460 0.226 0.000 0.988 171 Y HN 0.203 nan 8.280 nan 0.000 0.518 172 L N 0.044 121.426 121.223 0.265 0.000 2.017 172 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 172 L C 2.058 178.988 176.870 0.099 0.000 1.073 172 L CA 1.727 56.670 54.840 0.172 0.000 0.745 172 L CB -0.853 41.299 42.059 0.155 0.000 0.894 172 L HN 0.201 nan 8.230 nan 0.000 0.432 173 I N -1.003 119.603 120.570 0.061 0.000 2.252 173 I HA -0.181 3.989 4.170 -0.001 0.000 0.245 173 I C 2.462 178.596 176.117 0.027 0.000 1.102 173 I CA 1.151 62.459 61.300 0.013 0.000 1.385 173 I CB -1.063 36.929 38.000 -0.014 0.000 1.064 173 I HN 0.382 nan 8.210 nan 0.000 0.414 174 G N 0.100 108.929 108.800 0.048 0.000 2.442 174 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.219 174 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.219 174 G C 1.763 176.699 174.900 0.060 0.000 1.141 174 G CA 1.101 46.231 45.100 0.051 0.000 0.763 174 G HN 0.366 nan 8.290 nan 0.000 0.554 175 S N -0.001 115.748 115.700 0.081 0.000 2.395 175 S HA 0.306 4.776 4.470 -0.001 0.000 0.225 175 S C 1.718 176.337 174.600 0.033 0.000 1.027 175 S CA 0.879 59.111 58.200 0.055 0.000 0.965 175 S CB -0.419 62.815 63.200 0.056 0.000 0.812 175 S HN 1.221 nan 8.310 nan 0.000 0.482 176 G N 1.528 110.352 108.800 0.039 0.000 2.601 176 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.261 176 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.261 176 G C -0.437 174.502 174.900 0.065 0.000 1.289 176 G CA 0.325 45.450 45.100 0.041 0.000 0.920 176 G HN 0.436 nan 8.290 nan 0.000 0.571 177 M N -0.330 119.323 119.600 0.088 0.000 2.534 177 M HA 0.497 4.977 4.480 -0.001 0.000 0.280 177 M C -2.280 174.070 176.300 0.084 0.000 1.217 177 M CA -0.600 54.777 55.300 0.127 0.000 0.893 177 M CB 2.260 34.995 32.600 0.226 0.000 1.730 177 M HN 0.746 nan 8.290 nan 0.000 0.483 178 D N 4.733 125.186 120.400 0.087 0.000 2.446 178 D HA 0.453 5.092 4.640 -0.001 0.000 0.251 178 D C -1.905 174.348 176.300 -0.079 0.000 1.137 178 D CA -1.563 52.434 54.000 -0.005 0.000 0.890 178 D CB 1.633 42.434 40.800 0.002 0.000 1.071 178 D HN 0.270 nan 8.370 nan 0.000 0.528 179 P HA -0.027 nan 4.420 nan 0.000 0.242 179 P C -0.369 176.680 177.300 -0.418 0.000 1.197 179 P CA 0.125 62.922 63.100 -0.506 0.000 0.765 179 P CB 0.149 31.192 31.700 -1.095 0.000 0.936 180 R N -0.771 119.571 120.500 -0.264 0.000 3.423 180 R HA -0.092 4.247 4.340 -0.001 0.000 0.271 180 R C 0.773 176.946 176.300 -0.213 0.000 1.093 180 R CA 1.004 56.981 56.100 -0.204 0.000 0.730 180 R CB -3.182 27.008 30.300 -0.184 0.000 1.190 180 R HN 0.407 nan 8.270 nan 0.000 0.437 181 T N -2.837 111.568 114.554 -0.249 0.000 3.065 181 T HA 0.052 4.402 4.350 -0.001 0.000 0.252 181 T C 0.654 175.236 174.700 -0.197 0.000 1.099 181 T CA 0.327 62.290 62.100 -0.228 0.000 1.063 181 T CB 0.070 68.770 68.868 -0.280 0.000 0.948 181 T HN 0.498 nan 8.240 nan 0.000 0.506 182 E N 1.403 121.485 120.200 -0.196 0.000 2.586 182 E HA -0.305 4.045 4.350 -0.001 0.000 0.259 182 E C -0.048 176.418 176.600 -0.224 0.000 1.107 182 E CA 0.387 56.670 56.400 -0.195 0.000 0.754 182 E CB -2.440 27.171 29.700 -0.147 0.000 1.335 182 E HN 0.788 nan 8.360 nan 0.000 0.411 183 N N -1.655 116.899 118.700 -0.243 0.000 2.863 183 N HA -0.211 4.529 4.740 -0.001 0.000 0.245 183 N C -0.186 175.208 175.510 -0.192 0.000 1.001 183 N CA 1.385 54.302 53.050 -0.221 0.000 0.901 183 N CB -1.061 37.282 38.487 -0.240 0.000 1.124 183 N HN 0.434 nan 8.380 nan 0.000 0.582 184 S N 0.156 115.741 115.700 -0.192 0.000 2.439 184 S HA 0.418 4.887 4.470 -0.001 0.000 0.282 184 S C -1.431 173.002 174.600 -0.278 0.000 1.170 184 S CA -1.573 56.532 58.200 -0.159 0.000 1.054 184 S CB 1.172 64.320 63.200 -0.086 0.000 0.956 184 S HN -0.097 nan 8.310 nan 0.000 0.490 185 P HA -0.107 nan 4.420 nan 0.000 0.218 185 P C 0.430 177.484 177.300 -0.410 0.000 1.146 185 P CA 1.198 63.837 63.100 -0.769 0.000 0.813 185 P CB -0.050 30.889 31.700 -1.269 0.000 0.778 186 Y N -0.698 119.478 120.300 -0.206 0.000 2.089 186 Y HA -0.148 4.402 4.550 -0.000 0.000 0.282 186 Y C 2.382 178.185 175.900 -0.162 0.000 1.139 186 Y CA 1.274 59.307 58.100 -0.112 0.000 1.123 186 Y CB -1.382 37.016 38.460 -0.104 0.000 0.980 186 Y HN -0.164 nan 8.280 nan 0.000 0.493 187 L N -1.085 120.142 121.223 0.007 0.000 2.027 187 L HA -0.145 4.194 4.340 -0.001 0.000 0.206 187 L C 2.722 179.538 176.870 -0.091 0.000 1.074 187 L CA 1.244 56.062 54.840 -0.037 0.000 0.745 187 L CB -1.332 40.684 42.059 -0.072 0.000 0.898 187 L HN 0.336 nan 8.230 nan 0.000 0.433 188 G N 0.415 109.058 108.800 -0.262 0.000 2.553 188 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.218 188 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.218 188 G C 1.270 175.988 174.900 -0.303 0.000 1.195 188 G CA 0.993 45.858 45.100 -0.391 0.000 0.779 188 G HN 0.224 nan 8.290 nan 0.000 0.577 189 F N 0.728 120.592 119.950 -0.143 0.000 2.456 189 F HA 0.192 4.719 4.527 -0.000 0.000 0.298 189 F C 2.597 178.359 175.800 -0.064 0.000 1.104 189 F CA -0.469 57.434 58.000 -0.162 0.000 1.435 189 F CB -0.236 38.709 39.000 -0.091 0.000 1.078 189 F HN 0.046 nan 8.300 nan 0.000 0.546 190 I N -0.848 119.775 120.570 0.089 0.000 2.142 190 I HA -0.337 3.833 4.170 -0.001 0.000 0.240 190 I C 2.424 178.678 176.117 0.228 0.000 1.078 190 I CA 1.633 62.997 61.300 0.106 0.000 1.343 190 I CB -1.315 36.700 38.000 0.023 0.000 1.046 190 I HN 0.149 nan 8.210 nan 0.000 0.405 191 Y N 2.649 122.974 120.300 0.041 0.000 2.030 191 Y HA -0.374 4.176 4.550 -0.000 0.000 0.274 191 Y C 3.027 178.972 175.900 0.075 0.000 1.153 191 Y CA 3.037 61.163 58.100 0.042 0.000 1.115 191 Y CB -0.798 37.631 38.460 -0.053 0.000 0.969 191 Y HN 0.342 nan 8.280 nan 0.000 0.488 192 T N -2.757 111.742 114.554 -0.092 0.000 2.881 192 T HA -0.156 4.193 4.350 -0.001 0.000 0.270 192 T C 2.073 176.737 174.700 -0.060 0.000 1.068 192 T CA 1.484 63.419 62.100 -0.276 0.000 1.131 192 T CB -0.831 67.601 68.868 -0.727 0.000 0.871 192 T HN 0.337 nan 8.240 nan 0.000 0.479 193 S N 0.821 116.589 115.700 0.113 0.000 2.359 193 S HA 0.013 4.483 4.470 -0.001 0.000 0.224 193 S C 1.403 176.128 174.600 0.208 0.000 1.035 193 S CA 1.215 59.590 58.200 0.292 0.000 1.018 193 S CB -0.663 62.836 63.200 0.498 0.000 0.876 193 S HN 0.546 nan 8.310 nan 0.000 0.448 194 F N 2.379 122.358 119.950 0.049 0.000 2.102 194 F HA -0.141 4.385 4.527 -0.000 0.000 0.298 194 F C 2.634 178.394 175.800 -0.068 0.000 1.105 194 F CA 1.425 59.418 58.000 -0.011 0.000 1.239 194 F CB -0.320 38.666 39.000 -0.023 0.000 0.991 194 F HN 0.097 nan 8.300 nan 0.000 0.474 195 Q N 0.450 120.294 119.800 0.074 0.000 2.050 195 Q HA -0.187 4.153 4.340 -0.001 0.000 0.202 195 Q C 2.216 178.256 176.000 0.068 0.000 0.980 195 Q CA 1.572 57.369 55.803 -0.009 0.000 0.840 195 Q CB -0.687 27.902 28.738 -0.248 0.000 0.898 195 Q HN 0.452 nan 8.270 nan 0.000 0.424 196 E N 0.427 120.718 120.200 0.152 0.000 2.097 196 E HA -0.225 4.125 4.350 -0.001 0.000 0.196 196 E C 2.014 178.718 176.600 0.174 0.000 1.000 196 E CA 1.095 57.653 56.400 0.264 0.000 0.804 196 E CB -0.248 29.694 29.700 0.404 0.000 0.740 196 E HN 0.305 nan 8.360 nan 0.000 0.454 197 R N 0.590 121.127 120.500 0.062 0.000 2.075 197 R HA -0.081 4.258 4.340 -0.001 0.000 0.232 197 R C 2.296 178.604 176.300 0.014 0.000 1.126 197 R CA 1.375 57.474 56.100 -0.002 0.000 0.963 197 R CB -0.210 29.985 30.300 -0.174 0.000 0.858 197 R HN 0.135 nan 8.270 nan 0.000 0.435 198 A N 1.438 124.216 122.820 -0.071 0.000 1.865 198 A HA -0.227 4.093 4.320 -0.001 0.000 0.217 198 A C 1.693 179.171 177.584 -0.177 0.000 1.191 198 A CA 2.040 53.982 52.037 -0.159 0.000 0.623 198 A CB -0.753 18.120 19.000 -0.212 0.000 0.826 198 A HN 0.445 nan 8.150 nan 0.000 0.444 199 D N -1.089 119.283 120.400 -0.046 0.000 2.123 199 D HA -0.167 4.473 4.640 -0.001 0.000 0.196 199 D C 1.590 177.952 176.300 0.104 0.000 0.992 199 D CA 1.489 55.504 54.000 0.024 0.000 0.833 199 D CB -0.509 40.424 40.800 0.222 0.000 0.954 199 D HN 0.512 nan 8.370 nan 0.000 0.455 200 F N 1.050 121.005 119.950 0.008 0.000 2.269 200 F HA -0.066 4.460 4.527 -0.000 0.000 0.301 200 F C 2.011 177.787 175.800 -0.041 0.000 1.082 200 F CA 0.841 58.838 58.000 -0.004 0.000 1.360 200 F CB -0.112 38.862 39.000 -0.043 0.000 1.041 200 F HN -0.119 nan 8.300 nan 0.000 0.512 201 I N -1.050 119.409 120.570 -0.185 0.000 2.339 201 I HA -0.212 3.958 4.170 -0.001 0.000 0.245 201 I C 2.435 178.416 176.117 -0.226 0.000 1.096 201 I CA 1.017 62.165 61.300 -0.254 0.000 1.408 201 I CB -0.622 37.360 38.000 -0.030 0.000 1.092 201 I HN -0.023 nan 8.210 nan 0.000 0.423 202 S N -0.074 115.497 115.700 -0.215 0.000 2.351 202 S HA -0.210 4.260 4.470 -0.001 0.000 0.220 202 S C 2.021 176.460 174.600 -0.268 0.000 1.035 202 S CA 1.254 59.304 58.200 -0.250 0.000 1.031 202 S CB -0.522 62.452 63.200 -0.377 0.000 0.928 202 S HN 0.412 nan 8.310 nan 0.000 0.433 203 H N 1.010 119.980 119.070 -0.167 0.000 2.290 203 H HA -0.039 4.517 4.556 -0.000 0.000 0.298 203 H C 2.648 177.825 175.328 -0.251 0.000 1.087 203 H CA 1.388 57.322 56.048 -0.189 0.000 1.291 203 H CB -1.158 28.504 29.762 -0.166 0.000 1.369 203 H HN 0.477 nan 8.280 nan 0.000 0.492 204 G N 1.556 110.199 108.800 -0.261 0.000 2.505 204 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.220 204 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.220 204 G C 1.757 176.512 174.900 -0.242 0.000 1.145 204 G CA 1.102 45.974 45.100 -0.380 0.000 0.761 204 G HN 0.369 nan 8.290 nan 0.000 0.571 205 N N 0.341 118.919 118.700 -0.203 0.000 2.135 205 N HA -0.104 4.636 4.740 -0.001 0.000 0.186 205 N C 2.684 178.141 175.510 -0.088 0.000 1.027 205 N CA 1.947 54.918 53.050 -0.132 0.000 0.849 205 N CB -0.923 37.499 38.487 -0.108 0.000 1.002 205 N HN 0.489 nan 8.380 nan 0.000 0.425 206 T N -1.007 113.485 114.554 -0.104 0.000 2.849 206 T HA -0.021 4.329 4.350 -0.001 0.000 0.270 206 T C 1.958 176.672 174.700 0.024 0.000 1.066 206 T CA 1.293 63.350 62.100 -0.072 0.000 1.130 206 T CB -0.302 68.453 68.868 -0.189 0.000 0.864 206 T HN 0.170 nan 8.240 nan 0.000 0.481 207 A N 2.630 125.414 122.820 -0.058 0.000 1.841 207 A HA -0.029 4.291 4.320 -0.001 0.000 0.214 207 A C 2.619 180.160 177.584 -0.072 0.000 1.195 207 A CA 1.437 53.424 52.037 -0.084 0.000 0.611 207 A CB -0.643 18.273 19.000 -0.139 0.000 0.835 207 A HN 0.574 nan 8.150 nan 0.000 0.443 208 R N -0.583 119.866 120.500 -0.085 0.000 2.096 208 R HA -0.133 4.206 4.340 -0.001 0.000 0.235 208 R C 2.423 178.671 176.300 -0.086 0.000 1.127 208 R CA 1.549 57.597 56.100 -0.086 0.000 0.968 208 R CB -0.373 29.872 30.300 -0.091 0.000 0.861 208 R HN 0.658 nan 8.270 nan 0.000 0.440 209 Q N 0.250 120.021 119.800 -0.050 0.000 2.167 209 Q HA -0.047 4.293 4.340 -0.001 0.000 0.202 209 Q C 2.232 178.159 176.000 -0.122 0.000 0.970 209 Q CA 1.227 56.983 55.803 -0.078 0.000 0.855 209 Q CB -0.047 28.733 28.738 0.070 0.000 0.911 209 Q HN 0.389 nan 8.270 nan 0.000 0.438 210 A N 1.382 124.213 122.820 0.017 0.000 1.978 210 A HA -0.253 4.067 4.320 -0.001 0.000 0.220 210 A C 1.954 179.464 177.584 -0.123 0.000 1.170 210 A CA 1.683 53.679 52.037 -0.069 0.000 0.636 210 A CB -0.388 18.605 19.000 -0.012 0.000 0.810 210 A HN 0.227 nan 8.150 nan 0.000 0.448 211 K N -0.006 120.327 120.400 -0.112 0.000 2.002 211 K HA -0.196 4.123 4.320 -0.001 0.000 0.209 211 K C 1.943 178.467 176.600 -0.128 0.000 1.048 211 K CA 1.588 57.812 56.287 -0.105 0.000 0.930 211 K CB -0.200 32.246 32.500 -0.090 0.000 0.714 211 K HN 0.590 nan 8.250 nan 0.000 0.438 212 E N 0.672 120.756 120.200 -0.193 0.000 2.019 212 E HA -0.259 4.091 4.350 -0.001 0.000 0.208 212 E C 1.823 178.312 176.600 -0.186 0.000 1.030 212 E CA 1.526 57.789 56.400 -0.228 0.000 0.856 212 E CB -1.125 28.361 29.700 -0.356 0.000 0.781 212 E HN 0.540 nan 8.360 nan 0.000 0.471 213 H N 0.438 119.435 119.070 -0.123 0.000 2.545 213 H HA -0.081 4.474 4.556 -0.001 0.000 0.294 213 H C 1.399 176.658 175.328 -0.115 0.000 1.077 213 H CA 1.314 57.274 56.048 -0.146 0.000 1.197 213 H CB -0.586 29.011 29.762 -0.274 0.000 1.347 213 H HN 0.617 nan 8.280 nan 0.000 0.594 214 G N 0.623 109.414 108.800 -0.015 0.000 2.132 214 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.234 214 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.234 214 G C -0.186 174.699 174.900 -0.025 0.000 0.989 214 G CA 0.215 45.303 45.100 -0.020 0.000 0.676 214 G HN 0.469 nan 8.290 nan 0.000 0.522 215 D N 0.867 121.239 120.400 -0.047 0.000 2.479 215 D HA 0.367 5.007 4.640 -0.001 0.000 0.247 215 D C 2.143 178.407 176.300 -0.061 0.000 1.119 215 D CA -0.226 53.746 54.000 -0.046 0.000 0.922 215 D CB -0.148 40.621 40.800 -0.051 0.000 1.014 215 D HN 0.459 nan 8.370 nan 0.000 0.510 216 I N 0.616 121.160 120.570 -0.044 0.000 2.113 216 I HA -0.309 3.861 4.170 -0.001 0.000 0.242 216 I C 1.691 177.776 176.117 -0.055 0.000 1.064 216 I CA 1.036 62.308 61.300 -0.047 0.000 1.320 216 I CB -0.181 37.802 38.000 -0.028 0.000 1.028 216 I HN 0.047 nan 8.210 nan 0.000 0.406 217 K N 0.448 120.829 120.400 -0.033 0.000 2.063 217 K HA -0.169 4.151 4.320 -0.001 0.000 0.208 217 K C 2.187 178.722 176.600 -0.108 0.000 1.048 217 K CA 1.672 57.946 56.287 -0.022 0.000 0.928 217 K CB -0.359 32.159 32.500 0.030 0.000 0.713 217 K HN 0.290 nan 8.250 nan 0.000 0.442 218 L N 0.931 122.058 121.223 -0.161 0.000 2.141 218 L HA -0.095 4.245 4.340 -0.001 0.000 0.209 218 L C 2.092 178.817 176.870 -0.241 0.000 1.094 218 L CA 1.592 56.257 54.840 -0.292 0.000 0.763 218 L CB -0.682 41.189 42.059 -0.314 0.000 0.908 218 L HN 0.109 nan 8.230 nan 0.000 0.437 219 A N -1.102 121.617 122.820 -0.169 0.000 1.858 219 A HA -0.264 4.055 4.320 -0.001 0.000 0.216 219 A C 2.192 179.651 177.584 -0.208 0.000 1.190 219 A CA 1.741 53.685 52.037 -0.154 0.000 0.617 219 A CB -0.630 18.302 19.000 -0.113 0.000 0.827 219 A HN 0.588 nan 8.150 nan 0.000 0.443 220 Q N -0.519 119.165 119.800 -0.194 0.000 2.152 220 Q HA -0.189 4.151 4.340 -0.001 0.000 0.206 220 Q C 2.045 177.711 176.000 -0.557 0.000 0.985 220 Q CA 1.720 57.373 55.803 -0.250 0.000 0.863 220 Q CB -0.400 28.291 28.738 -0.078 0.000 0.904 220 Q HN 0.759 nan 8.270 nan 0.000 0.422 221 I N -0.319 119.903 120.570 -0.581 0.000 2.142 221 I HA -0.349 3.821 4.170 -0.001 0.000 0.240 221 I C 2.359 178.081 176.117 -0.658 0.000 1.078 221 I CA 0.916 61.742 61.300 -0.789 0.000 1.343 221 I CB -0.360 37.326 38.000 -0.523 0.000 1.046 221 I HN 0.348 nan 8.210 nan 0.000 0.405 222 C N 0.823 119.864 119.300 -0.432 0.000 2.446 222 C HA -0.068 4.392 4.460 -0.001 0.000 0.277 222 C C 2.966 177.750 174.990 -0.344 0.000 1.275 222 C CA 0.934 59.752 59.018 -0.333 0.000 1.727 222 C CB -1.693 25.940 27.740 -0.178 0.000 2.010 222 C HN 0.683 nan 8.230 nan 0.000 0.486 223 G N 0.240 108.844 108.800 -0.326 0.000 2.418 223 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.217 223 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.217 223 G C 1.678 176.385 174.900 -0.322 0.000 1.158 223 G CA 1.693 46.632 45.100 -0.269 0.000 0.771 223 G HN 0.503 nan 8.290 nan 0.000 0.545 224 T N 1.276 115.513 114.554 -0.528 0.000 2.867 224 T HA -0.002 4.348 4.350 -0.001 0.000 0.268 224 T C 2.357 176.706 174.700 -0.585 0.000 1.057 224 T CA 0.779 62.479 62.100 -0.666 0.000 1.136 224 T CB -0.096 68.023 68.868 -1.249 0.000 0.874 224 T HN 0.259 nan 8.240 nan 0.000 0.466 225 I N 1.288 121.467 120.570 -0.651 0.000 2.252 225 I HA -0.133 4.037 4.170 -0.001 0.000 0.245 225 I C 2.984 178.879 176.117 -0.370 0.000 1.102 225 I CA 0.993 61.893 61.300 -0.666 0.000 1.385 225 I CB -0.578 36.854 38.000 -0.946 0.000 1.064 225 I HN 0.185 nan 8.210 nan 0.000 0.414 226 A N 1.069 123.751 122.820 -0.229 0.000 1.908 226 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 226 A C 2.562 180.258 177.584 0.187 0.000 1.181 226 A CA 2.125 54.183 52.037 0.036 0.000 0.627 226 A CB -0.842 18.122 19.000 -0.061 0.000 0.818 226 A HN 0.451 nan 8.150 nan 0.000 0.445 227 A N 0.001 122.855 122.820 0.058 0.000 1.877 227 A HA -0.201 4.118 4.320 -0.001 0.000 0.216 227 A C 1.759 179.361 177.584 0.030 0.000 1.186 227 A CA 2.009 54.088 52.037 0.070 0.000 0.620 227 A CB -0.775 18.245 19.000 0.033 0.000 0.822 227 A HN 0.450 nan 8.150 nan 0.000 0.443 228 D N -0.114 120.308 120.400 0.037 0.000 2.172 228 D HA -0.151 4.489 4.640 -0.001 0.000 0.196 228 D C 1.922 177.988 176.300 -0.389 0.000 0.999 228 D CA 1.458 55.420 54.000 -0.063 0.000 0.856 228 D CB -0.174 40.759 40.800 0.222 0.000 0.934 228 D HN 0.447 nan 8.370 nan 0.000 0.453 229 E N 0.280 120.429 120.200 -0.084 0.000 2.072 229 E HA -0.139 4.211 4.350 -0.001 0.000 0.191 229 E C 1.982 178.590 176.600 0.014 0.000 0.985 229 E CA 0.701 57.134 56.400 0.054 0.000 0.801 229 E CB -0.228 29.644 29.700 0.287 0.000 0.750 229 E HN 0.133 nan 8.360 nan 0.000 0.452 230 K N 1.522 121.865 120.400 -0.095 0.000 2.032 230 K HA -0.096 4.224 4.320 -0.001 0.000 0.209 230 K C 2.097 178.604 176.600 -0.154 0.000 1.048 230 K CA 1.347 57.443 56.287 -0.318 0.000 0.927 230 K CB -0.144 32.059 32.500 -0.495 0.000 0.712 230 K HN -0.032 nan 8.250 nan 0.000 0.441 231 R N -0.990 119.459 120.500 -0.085 0.000 2.091 231 R HA -0.131 4.209 4.340 -0.001 0.000 0.238 231 R C 2.395 178.792 176.300 0.161 0.000 1.136 231 R CA 2.016 58.126 56.100 0.018 0.000 0.959 231 R CB -0.583 29.773 30.300 0.094 0.000 0.856 231 R HN 0.553 nan 8.270 nan 0.000 0.437 232 H N -0.336 118.865 119.070 0.217 0.000 2.321 232 H HA -0.118 4.437 4.556 -0.001 0.000 0.300 232 H C 2.180 177.630 175.328 0.203 0.000 1.087 232 H CA 1.020 57.275 56.048 0.344 0.000 1.319 232 H CB 0.045 30.151 29.762 0.573 0.000 1.379 232 H HN 0.326 nan 8.280 nan 0.000 0.501 233 E N 0.721 121.097 120.200 0.293 0.000 2.049 233 E HA -0.196 4.153 4.350 -0.001 0.000 0.198 233 E C 1.949 178.594 176.600 0.074 0.000 1.007 233 E CA 1.869 58.383 56.400 0.190 0.000 0.809 233 E CB 0.024 29.742 29.700 0.029 0.000 0.749 233 E HN 0.356 nan 8.360 nan 0.000 0.450 234 T N 0.810 115.320 114.554 -0.072 0.000 2.665 234 T HA -0.215 4.135 4.350 -0.001 0.000 0.268 234 T C 1.839 176.358 174.700 -0.303 0.000 1.035 234 T CA 1.722 63.691 62.100 -0.217 0.000 1.151 234 T CB -0.407 68.235 68.868 -0.376 0.000 0.862 234 T HN 0.386 nan 8.240 nan 0.000 0.438 235 A N 0.489 123.097 122.820 -0.354 0.000 1.858 235 A HA -0.090 4.230 4.320 -0.001 0.000 0.216 235 A C 2.087 179.489 177.584 -0.303 0.000 1.190 235 A CA 1.501 53.314 52.037 -0.372 0.000 0.617 235 A CB -1.069 17.673 19.000 -0.430 0.000 0.827 235 A HN 0.531 nan 8.150 nan 0.000 0.443 236 Y N 1.324 121.576 120.300 -0.081 0.000 2.274 236 Y HA -0.170 4.380 4.550 -0.000 0.000 0.290 236 Y C 3.106 179.078 175.900 0.121 0.000 1.145 236 Y CA 1.504 59.586 58.100 -0.031 0.000 1.203 236 Y CB -1.256 37.276 38.460 0.120 0.000 0.984 236 Y HN 0.538 nan 8.280 nan 0.000 0.533 237 T N -2.340 112.409 114.554 0.325 0.000 2.867 237 T HA -0.128 4.222 4.350 -0.001 0.000 0.268 237 T C 1.743 176.702 174.700 0.432 0.000 1.057 237 T CA 0.987 63.356 62.100 0.448 0.000 1.136 237 T CB -0.103 68.891 68.868 0.210 0.000 0.874 237 T HN 0.122 nan 8.240 nan 0.000 0.466 238 K N 1.038 121.582 120.400 0.239 0.000 2.211 238 K HA 0.170 4.489 4.320 -0.001 0.000 0.203 238 K C 2.216 179.035 176.600 0.365 0.000 1.050 238 K CA 0.708 57.160 56.287 0.275 0.000 0.945 238 K CB -0.362 32.253 32.500 0.191 0.000 0.732 238 K HN 0.499 nan 8.250 nan 0.000 0.451 239 I N 0.453 121.173 120.570 0.251 0.000 2.233 239 I HA -0.207 3.963 4.170 -0.001 0.000 0.243 239 I C 2.272 178.386 176.117 -0.005 0.000 1.093 239 I CA 0.734 62.128 61.300 0.157 0.000 1.380 239 I CB -0.369 37.586 38.000 -0.076 0.000 1.067 239 I HN -0.190 nan 8.210 nan 0.000 0.413 240 V N 0.935 120.846 119.914 -0.006 0.000 2.343 240 V HA -0.281 3.839 4.120 -0.001 0.000 0.247 240 V C 2.540 178.471 176.094 -0.272 0.000 1.051 240 V CA 1.980 64.074 62.300 -0.343 0.000 1.036 240 V CB -0.733 30.635 31.823 -0.758 0.000 0.654 240 V HN 0.491 nan 8.190 nan 0.000 0.451 241 E N 0.601 120.856 120.200 0.091 0.000 2.086 241 E HA -0.367 3.982 4.350 -0.001 0.000 0.200 241 E C 2.242 178.910 176.600 0.113 0.000 1.012 241 E CA 2.152 58.714 56.400 0.270 0.000 0.812 241 E CB -0.084 29.838 29.700 0.370 0.000 0.743 241 E HN 0.444 nan 8.360 nan 0.000 0.453 242 K N 0.645 121.048 120.400 0.004 0.000 2.057 242 K HA -0.089 4.230 4.320 -0.001 0.000 0.207 242 K C 2.215 178.638 176.600 -0.294 0.000 1.049 242 K CA 1.101 57.254 56.287 -0.222 0.000 0.931 242 K CB -0.391 31.738 32.500 -0.618 0.000 0.714 242 K HN 0.200 nan 8.250 nan 0.000 0.440 243 L N -0.635 120.392 121.223 -0.327 0.000 2.093 243 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 243 L C 1.985 178.689 176.870 -0.275 0.000 1.085 243 L CA 0.812 55.406 54.840 -0.411 0.000 0.755 243 L CB -0.355 41.347 42.059 -0.595 0.000 0.904 243 L HN 0.099 nan 8.230 nan 0.000 0.435 244 F N 0.399 120.235 119.950 -0.191 0.000 2.171 244 F HA -0.220 4.307 4.527 -0.001 0.000 0.300 244 F C 2.647 178.404 175.800 -0.072 0.000 1.090 244 F CA 1.612 59.547 58.000 -0.108 0.000 1.293 244 F CB -0.313 38.623 39.000 -0.107 0.000 1.013 244 F HN 0.166 nan 8.300 nan 0.000 0.486 245 E N 0.427 120.681 120.200 0.091 0.000 2.072 245 E HA -0.176 4.174 4.350 -0.001 0.000 0.190 245 E C 2.244 178.826 176.600 -0.030 0.000 0.982 245 E CA 1.394 57.809 56.400 0.024 0.000 0.803 245 E CB -0.183 29.509 29.700 -0.013 0.000 0.755 245 E HN 0.404 nan 8.360 nan 0.000 0.453 246 I N 0.304 120.813 120.570 -0.101 0.000 2.333 246 I HA -0.105 4.064 4.170 -0.001 0.000 0.246 246 I C 0.848 176.928 176.117 -0.061 0.000 1.106 246 I CA 0.792 62.021 61.300 -0.118 0.000 1.411 246 I CB 0.267 38.137 38.000 -0.217 0.000 1.082 246 I HN 0.031 nan 8.210 nan 0.000 0.420 247 D N 0.317 120.694 120.400 -0.038 0.000 2.552 247 D HA 0.140 4.779 4.640 -0.001 0.000 0.285 247 D C -1.802 174.530 176.300 0.053 0.000 1.206 247 D CA -1.966 52.047 54.000 0.022 0.000 0.826 247 D CB 0.724 41.572 40.800 0.080 0.000 1.179 247 D HN -0.061 nan 8.370 nan 0.000 0.508 248 P HA -0.108 nan 4.420 nan 0.000 0.219 248 P C 0.688 178.088 177.300 0.168 0.000 1.146 248 P CA 0.898 64.125 63.100 0.212 0.000 0.808 248 P CB 0.752 32.563 31.700 0.185 0.000 0.779 249 D N -0.083 120.366 120.400 0.082 0.000 2.091 249 D HA -0.058 4.581 4.640 -0.001 0.000 0.199 249 D C 2.437 178.736 176.300 -0.001 0.000 0.980 249 D CA 1.683 55.711 54.000 0.048 0.000 0.831 249 D CB -0.952 39.858 40.800 0.017 0.000 0.987 249 D HN 0.068 nan 8.370 nan 0.000 0.460 250 G N -0.660 108.105 108.800 -0.058 0.000 2.422 250 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.218 250 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.218 250 G C 1.638 176.420 174.900 -0.197 0.000 1.146 250 G CA 1.461 46.429 45.100 -0.221 0.000 0.769 250 G HN 0.233 nan 8.290 nan 0.000 0.547 251 T N 0.888 115.414 114.554 -0.047 0.000 2.737 251 T HA -0.092 4.258 4.350 -0.001 0.000 0.265 251 T C 2.517 177.095 174.700 -0.203 0.000 1.038 251 T CA 1.122 63.082 62.100 -0.233 0.000 1.144 251 T CB -0.342 68.021 68.868 -0.842 0.000 0.866 251 T HN 0.040 nan 8.240 nan 0.000 0.434 252 V N 1.592 121.566 119.914 0.101 0.000 2.332 252 V HA -0.133 3.986 4.120 -0.001 0.000 0.248 252 V C 2.480 178.710 176.094 0.227 0.000 1.055 252 V CA 1.491 64.022 62.300 0.386 0.000 1.038 252 V CB -0.655 31.380 31.823 0.355 0.000 0.651 252 V HN 0.437 nan 8.190 nan 0.000 0.450 253 L N -0.348 120.931 121.223 0.093 0.000 2.109 253 L HA -0.096 4.244 4.340 -0.001 0.000 0.207 253 L C 2.698 179.594 176.870 0.043 0.000 1.086 253 L CA 1.373 56.238 54.840 0.042 0.000 0.760 253 L CB -0.735 41.307 42.059 -0.030 0.000 0.910 253 L HN 0.363 nan 8.230 nan 0.000 0.437 254 A N -0.170 122.660 122.820 0.017 0.000 1.933 254 A HA -0.255 4.065 4.320 -0.001 0.000 0.218 254 A C 2.182 179.873 177.584 0.180 0.000 1.175 254 A CA 1.304 53.364 52.037 0.039 0.000 0.628 254 A CB -0.716 18.293 19.000 0.016 0.000 0.814 254 A HN 0.377 nan 8.150 nan 0.000 0.444 255 F N 1.174 121.147 119.950 0.040 0.000 2.102 255 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 255 F C 2.550 178.458 175.800 0.180 0.000 1.105 255 F CA 0.806 58.887 58.000 0.136 0.000 1.239 255 F CB -1.022 38.124 39.000 0.244 0.000 0.991 255 F HN 0.270 nan 8.300 nan 0.000 0.474 256 A N -0.270 122.688 122.820 0.230 0.000 1.933 256 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 256 A C 1.996 179.677 177.584 0.161 0.000 1.175 256 A CA 1.844 53.989 52.037 0.180 0.000 0.628 256 A CB -1.137 17.964 19.000 0.169 0.000 0.814 256 A HN 0.426 nan 8.150 nan 0.000 0.444 257 D N -0.862 119.602 120.400 0.106 0.000 2.097 257 D HA -0.167 4.473 4.640 -0.001 0.000 0.195 257 D C 1.926 178.267 176.300 0.069 0.000 0.989 257 D CA 1.497 55.524 54.000 0.046 0.000 0.827 257 D CB -0.154 40.651 40.800 0.009 0.000 0.966 257 D HN 0.223 nan 8.370 nan 0.000 0.456 258 M N -0.372 119.305 119.600 0.128 0.000 2.159 258 M HA -0.078 4.402 4.480 -0.001 0.000 0.263 258 M C 2.268 178.646 176.300 0.130 0.000 1.063 258 M CA 1.125 56.502 55.300 0.128 0.000 1.110 258 M CB -0.833 31.889 32.600 0.203 0.000 1.374 258 M HN 0.261 nan 8.290 nan 0.000 0.411 259 M N -1.049 118.661 119.600 0.184 0.000 2.156 259 M HA -0.164 4.315 4.480 -0.001 0.000 0.264 259 M C 2.280 178.706 176.300 0.210 0.000 1.067 259 M CA 1.332 56.743 55.300 0.184 0.000 1.131 259 M CB -0.324 32.365 32.600 0.149 0.000 1.368 259 M HN 0.208 nan 8.290 nan 0.000 0.416 260 R N 0.446 121.089 120.500 0.237 0.000 2.094 260 R HA -0.171 4.168 4.340 -0.001 0.000 0.239 260 R C 2.075 178.405 176.300 0.051 0.000 1.137 260 R CA 1.532 57.715 56.100 0.139 0.000 0.943 260 R CB -0.433 29.853 30.300 -0.023 0.000 0.850 260 R HN 0.371 nan 8.270 nan 0.000 0.433 261 K N 0.857 121.259 120.400 0.003 0.000 2.211 261 K HA -0.097 4.223 4.320 -0.001 0.000 0.204 261 K C -0.057 176.507 176.600 -0.061 0.000 1.047 261 K CA 0.831 57.071 56.287 -0.078 0.000 0.935 261 K CB -0.111 32.325 32.500 -0.107 0.000 0.728 261 K HN 0.142 nan 8.250 nan 0.000 0.452 262 K N -0.001 120.412 120.400 0.021 0.000 6.750 262 K HA -0.124 4.196 4.320 -0.001 0.000 0.600 262 K C -0.747 175.876 176.600 0.040 0.000 2.563 262 K CA 0.103 56.422 56.287 0.052 0.000 2.004 262 K CB -0.330 32.173 32.500 0.005 0.000 2.501 262 K HN 0.013 nan 8.250 nan 0.000 0.183 263 I N 3.414 124.038 120.570 0.091 0.000 2.389 263 I HA -0.001 4.169 4.170 -0.001 0.000 0.295 263 I C 0.993 177.195 176.117 0.142 0.000 1.117 263 I CA 0.265 61.615 61.300 0.083 0.000 1.317 263 I CB -0.175 37.662 38.000 -0.273 0.000 1.431 263 I HN 0.540 nan 8.210 nan 0.000 0.521 264 S N 7.424 123.162 115.700 0.064 0.000 2.545 264 S HA 0.473 4.943 4.470 -0.001 0.000 0.275 264 S C 0.245 174.869 174.600 0.039 0.000 1.299 264 S CA -0.973 57.174 58.200 -0.089 0.000 1.048 264 S CB 1.354 64.263 63.200 -0.486 0.000 0.938 264 S HN 0.368 nan 8.310 nan 0.000 0.496 265 M N 2.787 122.411 119.600 0.038 0.000 2.245 265 M HA 0.209 4.689 4.480 -0.001 0.000 0.344 265 M C -1.663 174.719 176.300 0.137 0.000 1.170 265 M CA -2.500 52.894 55.300 0.155 0.000 1.135 265 M CB -0.720 32.071 32.600 0.319 0.000 1.574 265 M HN 0.362 nan 8.290 nan 0.000 0.452 266 P HA -0.115 nan 4.420 nan 0.000 0.217 266 P C 0.347 177.844 177.300 0.329 0.000 1.148 266 P CA 1.664 64.940 63.100 0.293 0.000 0.828 266 P CB 0.201 31.967 31.700 0.109 0.000 0.783 267 A N -0.314 122.656 122.820 0.251 0.000 2.833 267 A HA 0.073 4.392 4.320 -0.001 0.000 0.293 267 A C 1.320 178.894 177.584 -0.017 0.000 1.338 267 A CA -0.280 51.885 52.037 0.213 0.000 0.959 267 A CB -1.300 17.878 19.000 0.296 0.000 1.094 267 A HN 0.302 nan 8.150 nan 0.000 0.569 268 H N -0.807 118.018 119.070 -0.408 0.000 2.529 268 H HA 0.102 4.658 4.556 -0.001 0.000 0.277 268 H C 0.746 175.962 175.328 -0.187 0.000 0.999 268 H CA 0.605 56.155 56.048 -0.829 0.000 1.256 268 H CB -0.290 29.000 29.762 -0.788 0.000 1.402 268 H HN 0.483 nan 8.280 nan 0.000 0.566 269 L N 0.737 121.721 121.223 -0.399 0.000 2.653 269 L HA 0.208 4.548 4.340 -0.001 0.000 0.232 269 L C 0.752 177.645 176.870 0.039 0.000 1.169 269 L CA -0.320 54.381 54.840 -0.232 0.000 0.951 269 L CB -0.342 41.555 42.059 -0.269 0.000 1.181 269 L HN 0.087 nan 8.230 nan 0.000 0.460 270 M N 0.783 120.484 119.600 0.168 0.000 2.240 270 M HA -0.113 4.367 4.480 -0.001 0.000 0.346 270 M C -0.871 175.626 176.300 0.328 0.000 1.236 270 M CA 1.205 56.688 55.300 0.307 0.000 0.986 270 M CB 0.140 33.011 32.600 0.452 0.000 1.786 270 M HN 0.042 nan 8.290 nan 0.000 0.457 271 Y N 3.221 123.593 120.300 0.120 0.000 2.436 271 Y HA 0.200 4.750 4.550 -0.001 0.000 0.327 271 Y C -0.694 175.198 175.900 -0.013 0.000 1.138 271 Y CA -1.461 56.608 58.100 -0.052 0.000 1.042 271 Y CB 1.070 39.349 38.460 -0.301 0.000 1.302 271 Y HN 0.769 nan 8.280 nan 0.000 0.439 272 D N 1.759 121.834 120.400 -0.542 0.000 2.431 272 D HA 0.279 4.919 4.640 -0.001 0.000 0.213 272 D C 1.468 177.467 176.300 -0.502 0.000 1.130 272 D CA 0.483 54.321 54.000 -0.270 0.000 0.834 272 D CB 0.479 41.233 40.800 -0.077 0.000 0.985 272 D HN 1.081 nan 8.370 nan 0.000 0.504 273 G N 0.956 108.851 108.800 -1.508 0.000 2.179 273 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.260 273 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.260 273 G C 1.210 175.982 174.900 -0.214 0.000 0.977 273 G CA 0.470 45.089 45.100 -0.801 0.000 0.641 273 G HN 0.439 nan 8.290 nan 0.000 0.533 274 R N -0.723 119.591 120.500 -0.310 0.000 2.437 274 R HA 0.177 4.517 4.340 -0.001 0.000 0.184 274 R C -0.230 176.037 176.300 -0.055 0.000 0.850 274 R CA 0.124 56.175 56.100 -0.081 0.000 1.073 274 R CB 0.206 30.461 30.300 -0.076 0.000 1.336 274 R HN 0.319 nan 8.270 nan 0.000 0.640 275 D N 1.620 121.958 120.400 -0.102 0.000 2.232 275 D HA 0.093 4.732 4.640 -0.001 0.000 0.242 275 D C -0.158 176.240 176.300 0.163 0.000 1.093 275 D CA -0.100 53.898 54.000 -0.003 0.000 0.845 275 D CB 1.431 42.183 40.800 -0.081 0.000 1.124 275 D HN -0.076 nan 8.370 nan 0.000 0.467 276 D N 2.646 123.136 120.400 0.151 0.000 2.349 276 D HA -0.006 4.634 4.640 -0.001 0.000 0.215 276 D C -0.097 176.236 176.300 0.055 0.000 1.016 276 D CA 0.391 54.470 54.000 0.132 0.000 0.870 276 D CB 0.134 40.966 40.800 0.053 0.000 0.917 276 D HN 0.391 nan 8.370 nan 0.000 0.524 277 N N 0.288 118.989 118.700 0.002 0.000 2.599 277 N HA 0.077 4.817 4.740 -0.001 0.000 0.309 277 N C 0.880 176.251 175.510 -0.230 0.000 1.743 277 N CA -0.130 52.810 53.050 -0.183 0.000 0.918 277 N CB 0.991 39.217 38.487 -0.434 0.000 1.339 277 N HN -0.125 nan 8.380 nan 0.000 0.493 278 L N 0.072 121.334 121.223 0.065 0.000 2.046 278 L HA 0.039 4.379 4.340 -0.001 0.000 0.208 278 L C 1.640 178.689 176.870 0.299 0.000 1.077 278 L CA 1.729 56.662 54.840 0.154 0.000 0.747 278 L CB -0.598 41.560 42.059 0.165 0.000 0.896 278 L HN 0.331 nan 8.230 nan 0.000 0.432 279 F N 0.456 120.537 119.950 0.219 0.000 2.102 279 F HA -0.211 4.315 4.527 -0.001 0.000 0.298 279 F C 2.210 178.183 175.800 0.287 0.000 1.105 279 F CA 1.886 60.092 58.000 0.342 0.000 1.239 279 F CB -0.407 38.778 39.000 0.309 0.000 0.991 279 F HN 0.190 nan 8.300 nan 0.000 0.474 280 D N -0.461 119.975 120.400 0.060 0.000 2.104 280 D HA -0.220 4.419 4.640 -0.001 0.000 0.194 280 D C 2.096 178.352 176.300 -0.073 0.000 0.994 280 D CA 2.110 56.052 54.000 -0.097 0.000 0.830 280 D CB -0.787 39.944 40.800 -0.114 0.000 0.959 280 D HN 0.513 nan 8.370 nan 0.000 0.452 281 H N -0.897 118.224 119.070 0.086 0.000 2.321 281 H HA -0.104 4.452 4.556 -0.001 0.000 0.300 281 H C 1.950 177.460 175.328 0.302 0.000 1.087 281 H CA 1.062 57.205 56.048 0.159 0.000 1.319 281 H CB -0.207 29.584 29.762 0.047 0.000 1.379 281 H HN 0.110 nan 8.280 nan 0.000 0.501 282 F N 1.830 121.960 119.950 0.300 0.000 2.095 282 F HA -0.248 4.279 4.527 -0.001 0.000 0.298 282 F C 2.272 178.089 175.800 0.027 0.000 1.104 282 F CA 1.596 59.726 58.000 0.217 0.000 1.232 282 F CB -0.634 38.558 39.000 0.320 0.000 0.987 282 F HN -0.053 nan 8.300 nan 0.000 0.475 283 S N 1.047 116.427 115.700 -0.532 0.000 2.359 283 S HA -0.188 4.281 4.470 -0.001 0.000 0.224 283 S C 2.399 176.807 174.600 -0.319 0.000 1.035 283 S CA 1.213 59.037 58.200 -0.627 0.000 1.018 283 S CB -1.159 61.681 63.200 -0.600 0.000 0.876 283 S HN 0.623 nan 8.310 nan 0.000 0.448 284 A N 1.589 124.322 122.820 -0.145 0.000 1.884 284 A HA -0.148 4.172 4.320 -0.001 0.000 0.219 284 A C 2.387 179.936 177.584 -0.059 0.000 1.197 284 A CA 2.136 54.144 52.037 -0.048 0.000 0.637 284 A CB -1.263 17.774 19.000 0.061 0.000 0.827 284 A HN 0.359 nan 8.150 nan 0.000 0.450 285 V N -0.171 119.717 119.914 -0.043 0.000 2.332 285 V HA -0.275 3.845 4.120 -0.001 0.000 0.248 285 V C 3.028 179.048 176.094 -0.125 0.000 1.055 285 V CA 2.123 64.389 62.300 -0.058 0.000 1.038 285 V CB -1.538 30.248 31.823 -0.062 0.000 0.651 285 V HN 0.662 nan 8.190 nan 0.000 0.450 286 A N -0.178 122.489 122.820 -0.256 0.000 1.877 286 A HA -0.327 3.993 4.320 -0.001 0.000 0.216 286 A C 2.232 179.731 177.584 -0.142 0.000 1.186 286 A CA 2.374 54.259 52.037 -0.253 0.000 0.620 286 A CB -0.598 18.134 19.000 -0.447 0.000 0.822 286 A HN 0.597 nan 8.150 nan 0.000 0.443 287 Q N -0.173 119.540 119.800 -0.145 0.000 1.956 287 Q HA -0.228 4.111 4.340 -0.001 0.000 0.208 287 Q C 2.279 178.238 176.000 -0.069 0.000 0.998 287 Q CA 2.394 58.134 55.803 -0.105 0.000 0.855 287 Q CB -0.384 28.292 28.738 -0.104 0.000 0.928 287 Q HN 0.577 nan 8.270 nan 0.000 0.418 288 R N -0.671 119.799 120.500 -0.051 0.000 2.133 288 R HA -0.174 4.166 4.340 -0.001 0.000 0.247 288 R C 1.844 178.135 176.300 -0.015 0.000 1.151 288 R CA 1.585 57.670 56.100 -0.024 0.000 0.971 288 R CB -0.312 29.984 30.300 -0.006 0.000 0.866 288 R HN 0.356 nan 8.270 nan 0.000 0.447 289 L N -0.165 121.045 121.223 -0.021 0.000 2.478 289 L HA 0.122 4.462 4.340 -0.001 0.000 0.223 289 L C 1.221 178.086 176.870 -0.009 0.000 1.140 289 L CA 1.622 56.462 54.840 0.001 0.000 0.842 289 L CB -0.332 41.729 42.059 0.003 0.000 0.953 289 L HN 0.536 nan 8.230 nan 0.000 0.452 290 G N -1.461 107.321 108.800 -0.030 0.000 2.198 290 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.257 290 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.257 290 G C 0.962 175.843 174.900 -0.032 0.000 1.042 290 G CA 0.388 45.468 45.100 -0.033 0.000 0.791 290 G HN 0.200 nan 8.290 nan 0.000 0.502 291 V N -1.419 118.472 119.914 -0.038 0.000 2.379 291 V HA 0.289 4.409 4.120 -0.001 0.000 0.243 291 V C 0.754 176.880 176.094 0.054 0.000 1.035 291 V CA 1.935 64.212 62.300 -0.038 0.000 1.035 291 V CB 0.038 31.805 31.823 -0.092 0.000 0.673 291 V HN 0.640 nan 8.190 nan 0.000 0.457 292 Y N 0.836 121.069 120.300 -0.111 0.000 2.323 292 Y HA 0.516 5.065 4.550 -0.001 0.000 0.322 292 Y C -0.178 175.693 175.900 -0.049 0.000 1.133 292 Y CA -1.096 56.963 58.100 -0.069 0.000 1.093 292 Y CB 1.278 39.704 38.460 -0.056 0.000 1.203 292 Y HN 0.161 nan 8.280 nan 0.000 0.427 293 T N 1.083 115.410 114.554 -0.378 0.000 2.942 293 T HA 0.700 5.050 4.350 -0.001 0.000 0.289 293 T C 1.093 175.569 174.700 -0.373 0.000 1.044 293 T CA -0.290 61.632 62.100 -0.297 0.000 1.023 293 T CB 1.732 70.512 68.868 -0.147 0.000 1.123 293 T HN 0.778 nan 8.240 nan 0.000 0.512 294 A N 0.949 123.640 122.820 -0.215 0.000 1.986 294 A HA -0.105 4.215 4.320 -0.001 0.000 0.220 294 A C 2.205 179.760 177.584 -0.049 0.000 1.171 294 A CA 1.638 53.592 52.037 -0.137 0.000 0.640 294 A CB -0.896 18.048 19.000 -0.093 0.000 0.811 294 A HN 0.909 nan 8.150 nan 0.000 0.451 295 K N -0.522 119.842 120.400 -0.061 0.000 2.097 295 K HA -0.114 4.205 4.320 -0.001 0.000 0.205 295 K C 1.397 177.996 176.600 -0.001 0.000 1.050 295 K CA 1.216 57.495 56.287 -0.013 0.000 0.938 295 K CB -0.241 32.244 32.500 -0.024 0.000 0.718 295 K HN 0.413 nan 8.250 nan 0.000 0.442 296 D N 0.548 120.904 120.400 -0.074 0.000 2.097 296 D HA -0.192 4.448 4.640 -0.001 0.000 0.195 296 D C 1.771 178.105 176.300 0.056 0.000 0.989 296 D CA 1.112 55.091 54.000 -0.034 0.000 0.827 296 D CB -0.345 40.421 40.800 -0.056 0.000 0.966 296 D HN 0.171 nan 8.370 nan 0.000 0.456 297 Y N 1.650 121.909 120.300 -0.068 0.000 2.193 297 Y HA -0.296 4.254 4.550 -0.000 0.000 0.285 297 Y C 2.254 178.306 175.900 0.252 0.000 1.166 297 Y CA 1.959 60.189 58.100 0.217 0.000 1.181 297 Y CB -0.225 38.343 38.460 0.179 0.000 0.976 297 Y HN -0.037 nan 8.280 nan 0.000 0.520 298 A N -0.192 122.803 122.820 0.291 0.000 1.897 298 A HA -0.148 4.171 4.320 -0.001 0.000 0.215 298 A C 1.825 179.469 177.584 0.099 0.000 1.181 298 A CA 1.851 54.008 52.037 0.200 0.000 0.620 298 A CB -0.818 18.271 19.000 0.148 0.000 0.821 298 A HN 0.510 nan 8.150 nan 0.000 0.443 299 D N 0.097 120.531 120.400 0.057 0.000 2.144 299 D HA -0.108 4.531 4.640 -0.001 0.000 0.199 299 D C 1.740 178.045 176.300 0.008 0.000 0.984 299 D CA 1.098 55.117 54.000 0.031 0.000 0.834 299 D CB -0.284 40.522 40.800 0.010 0.000 0.955 299 D HN 0.520 nan 8.370 nan 0.000 0.465 300 I N 0.004 120.511 120.570 -0.104 0.000 2.179 300 I HA -0.242 3.928 4.170 -0.001 0.000 0.242 300 I C 2.261 178.296 176.117 -0.137 0.000 1.088 300 I CA 0.560 61.688 61.300 -0.287 0.000 1.357 300 I CB -0.206 37.276 38.000 -0.864 0.000 1.051 300 I HN 0.027 nan 8.210 nan 0.000 0.409 301 L N 0.992 122.216 121.223 0.000 0.000 1.971 301 L HA -0.295 4.045 4.340 -0.001 0.000 0.215 301 L C 2.663 179.649 176.870 0.195 0.000 1.072 301 L CA 2.167 57.161 54.840 0.257 0.000 0.758 301 L CB -0.540 41.673 42.059 0.256 0.000 0.889 301 L HN 0.273 nan 8.230 nan 0.000 0.433 302 E N -1.186 119.087 120.200 0.121 0.000 2.085 302 E HA -0.320 4.030 4.350 -0.001 0.000 0.194 302 E C 2.228 178.868 176.600 0.067 0.000 0.994 302 E CA 1.661 58.113 56.400 0.086 0.000 0.801 302 E CB -0.403 29.338 29.700 0.068 0.000 0.743 302 E HN 0.489 nan 8.360 nan 0.000 0.453 303 F N 1.380 121.289 119.950 -0.069 0.000 2.095 303 F HA -0.203 4.323 4.527 -0.001 0.000 0.298 303 F C 1.921 177.600 175.800 -0.201 0.000 1.104 303 F CA 1.622 59.545 58.000 -0.128 0.000 1.232 303 F CB -0.267 38.637 39.000 -0.160 0.000 0.987 303 F HN 0.014 nan 8.300 nan 0.000 0.475 304 L N -0.549 120.505 121.223 -0.282 0.000 2.083 304 L HA -0.203 4.137 4.340 -0.001 0.000 0.209 304 L C 2.388 179.084 176.870 -0.289 0.000 1.083 304 L CA 0.857 55.304 54.840 -0.655 0.000 0.752 304 L CB -0.810 40.944 42.059 -0.508 0.000 0.899 304 L HN 0.061 nan 8.230 nan 0.000 0.433 305 V N 0.202 120.177 119.914 0.102 0.000 2.332 305 V HA -0.231 3.889 4.120 -0.001 0.000 0.248 305 V C 2.525 178.612 176.094 -0.011 0.000 1.055 305 V CA 2.111 64.536 62.300 0.208 0.000 1.038 305 V CB -1.090 30.820 31.823 0.145 0.000 0.651 305 V HN 0.581 nan 8.190 nan 0.000 0.450 306 G N -0.948 107.754 108.800 -0.163 0.000 2.396 306 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.214 306 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.214 306 G C 1.719 176.426 174.900 -0.322 0.000 1.166 306 G CA 0.283 45.258 45.100 -0.207 0.000 0.793 306 G HN 0.269 nan 8.290 nan 0.000 0.533 307 R N -0.299 119.824 120.500 -0.628 0.000 2.120 307 R HA -0.051 4.289 4.340 -0.001 0.000 0.234 307 R C 1.696 177.772 176.300 -0.373 0.000 1.123 307 R CA 0.895 56.568 56.100 -0.712 0.000 0.975 307 R CB -0.323 29.189 30.300 -1.313 0.000 0.866 307 R HN 0.476 nan 8.270 nan 0.000 0.446 308 W N 1.128 122.287 121.300 -0.236 0.000 3.278 308 W HA 0.177 4.837 4.660 -0.001 0.000 0.308 308 W C 0.379 176.688 176.519 -0.349 0.000 1.253 308 W CA -0.336 56.865 57.345 -0.240 0.000 1.759 308 W CB 0.221 29.536 29.460 -0.241 0.000 1.093 308 W HN -0.006 nan 8.180 nan 0.000 0.648 309 K N -0.142 120.216 120.400 -0.069 0.000 3.071 309 K HA -0.184 4.136 4.320 -0.001 0.000 0.265 309 K C 0.954 177.465 176.600 -0.150 0.000 1.060 309 K CA 0.680 56.909 56.287 -0.097 0.000 0.767 309 K CB -2.133 30.325 32.500 -0.069 0.000 1.241 309 K HN 0.097 nan 8.250 nan 0.000 0.486 310 V N 1.073 120.898 119.914 -0.149 0.000 2.282 310 V HA -0.328 3.792 4.120 -0.001 0.000 0.249 310 V C 2.495 178.558 176.094 -0.052 0.000 1.057 310 V CA 2.540 64.758 62.300 -0.136 0.000 1.032 310 V CB -0.330 31.524 31.823 0.052 0.000 0.645 310 V HN 0.549 nan 8.190 nan 0.000 0.447 311 D N 0.572 120.955 120.400 -0.028 0.000 2.178 311 D HA -0.227 4.413 4.640 -0.001 0.000 0.201 311 D C 1.589 177.879 176.300 -0.017 0.000 0.980 311 D CA 1.117 55.109 54.000 -0.014 0.000 0.842 311 D CB -0.362 40.430 40.800 -0.013 0.000 0.948 311 D HN 0.441 nan 8.370 nan 0.000 0.472 312 K N 0.335 120.717 120.400 -0.030 0.000 2.487 312 K HA 0.161 4.481 4.320 -0.001 0.000 0.192 312 K C 0.763 177.353 176.600 -0.017 0.000 1.027 312 K CA -0.139 56.135 56.287 -0.022 0.000 1.054 312 K CB 0.404 32.889 32.500 -0.025 0.000 0.824 312 K HN 0.254 nan 8.250 nan 0.000 0.510 313 L N 2.146 123.357 121.223 -0.020 0.000 2.380 313 L HA 0.072 4.412 4.340 -0.001 0.000 0.273 313 L C 0.586 177.466 176.870 0.017 0.000 1.138 313 L CA 0.094 54.934 54.840 0.000 0.000 0.832 313 L CB 0.812 42.875 42.059 0.008 0.000 1.124 313 L HN 0.135 nan 8.230 nan 0.000 0.454 314 T N -1.558 113.010 114.554 0.023 0.000 2.883 314 T HA 0.629 4.979 4.350 -0.001 0.000 0.296 314 T C 0.304 175.021 174.700 0.028 0.000 1.117 314 T CA -0.322 61.791 62.100 0.023 0.000 1.006 314 T CB 1.801 70.679 68.868 0.015 0.000 1.191 314 T HN 0.915 nan 8.240 nan 0.000 0.508 315 G N 0.910 109.725 108.800 0.024 0.000 2.324 315 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.292 315 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.292 315 G C -0.385 174.533 174.900 0.030 0.000 1.079 315 G CA 0.023 45.136 45.100 0.023 0.000 1.026 315 G HN 0.865 nan 8.290 nan 0.000 0.506 316 L N 0.622 121.865 121.223 0.033 0.000 2.331 316 L HA 0.672 5.011 4.340 -0.001 0.000 0.275 316 L C 1.318 178.204 176.870 0.027 0.000 1.022 316 L CA -0.597 54.266 54.840 0.039 0.000 0.812 316 L CB 1.816 43.908 42.059 0.054 0.000 1.257 316 L HN 0.472 nan 8.230 nan 0.000 0.435 317 S N 1.098 116.811 115.700 0.022 0.000 2.576 317 S HA 0.148 4.618 4.470 -0.001 0.000 0.272 317 S C 1.315 175.923 174.600 0.014 0.000 1.352 317 S CA -0.058 58.150 58.200 0.013 0.000 1.021 317 S CB 1.198 64.401 63.200 0.005 0.000 0.887 317 S HN 0.753 nan 8.310 nan 0.000 0.542 318 A N 0.709 123.534 122.820 0.008 0.000 2.042 318 A HA -0.180 4.140 4.320 -0.001 0.000 0.222 318 A C 2.098 179.686 177.584 0.006 0.000 1.167 318 A CA 2.183 54.225 52.037 0.007 0.000 0.649 318 A CB -1.144 17.857 19.000 0.002 0.000 0.809 318 A HN 0.971 nan 8.150 nan 0.000 0.457 319 E N -0.372 119.829 120.200 0.003 0.000 2.028 319 E HA 0.007 4.357 4.350 -0.001 0.000 0.190 319 E C 2.133 178.742 176.600 0.016 0.000 0.984 319 E CA 1.439 57.839 56.400 0.000 0.000 0.800 319 E CB -0.854 28.840 29.700 -0.010 0.000 0.758 319 E HN 0.383 nan 8.360 nan 0.000 0.448 320 G N 0.321 109.136 108.800 0.026 0.000 2.469 320 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.219 320 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.219 320 G C 1.535 176.471 174.900 0.060 0.000 1.150 320 G CA 0.982 46.113 45.100 0.052 0.000 0.763 320 G HN 0.290 nan 8.290 nan 0.000 0.561 321 Q N -0.028 119.798 119.800 0.044 0.000 2.079 321 Q HA -0.049 4.290 4.340 -0.001 0.000 0.200 321 Q C 2.666 178.693 176.000 0.046 0.000 0.974 321 Q CA 1.123 56.951 55.803 0.043 0.000 0.840 321 Q CB -0.142 28.614 28.738 0.030 0.000 0.898 321 Q HN 0.452 nan 8.270 nan 0.000 0.430 322 K N 0.372 120.794 120.400 0.037 0.000 2.057 322 K HA -0.129 4.191 4.320 -0.001 0.000 0.207 322 K C 2.109 178.750 176.600 0.067 0.000 1.049 322 K CA 1.132 57.442 56.287 0.038 0.000 0.931 322 K CB -0.157 32.347 32.500 0.007 0.000 0.714 322 K HN 0.118 nan 8.250 nan 0.000 0.440 323 A N 1.637 124.496 122.820 0.065 0.000 1.858 323 A HA -0.263 4.056 4.320 -0.001 0.000 0.216 323 A C 2.195 179.855 177.584 0.128 0.000 1.190 323 A CA 1.702 53.800 52.037 0.101 0.000 0.617 323 A CB -0.682 18.370 19.000 0.087 0.000 0.827 323 A HN 0.418 nan 8.150 nan 0.000 0.443 324 Q N -0.557 119.305 119.800 0.103 0.000 2.096 324 Q HA -0.296 4.044 4.340 -0.001 0.000 0.204 324 Q C 1.703 177.737 176.000 0.056 0.000 0.982 324 Q CA 2.290 58.144 55.803 0.086 0.000 0.850 324 Q CB -0.307 28.477 28.738 0.078 0.000 0.901 324 Q HN 0.627 nan 8.270 nan 0.000 0.422 325 D N -0.898 119.542 120.400 0.067 0.000 2.097 325 D HA -0.189 4.451 4.640 -0.001 0.000 0.197 325 D C 1.737 178.076 176.300 0.066 0.000 0.984 325 D CA 1.230 55.263 54.000 0.056 0.000 0.826 325 D CB -0.334 40.502 40.800 0.060 0.000 0.973 325 D HN 0.420 nan 8.370 nan 0.000 0.460 326 Y N 0.573 120.859 120.300 -0.024 0.000 2.114 326 Y HA -0.232 4.317 4.550 -0.001 0.000 0.282 326 Y C 2.033 177.896 175.900 -0.061 0.000 1.165 326 Y CA 1.433 59.513 58.100 -0.034 0.000 1.148 326 Y CB -0.591 37.847 38.460 -0.035 0.000 0.972 326 Y HN -0.079 nan 8.280 nan 0.000 0.504 327 V N -1.197 118.612 119.914 -0.175 0.000 2.358 327 V HA -0.317 3.803 4.120 -0.001 0.000 0.246 327 V C 2.514 178.459 176.094 -0.247 0.000 1.047 327 V CA 1.871 63.953 62.300 -0.364 0.000 1.035 327 V CB -0.881 30.682 31.823 -0.432 0.000 0.658 327 V HN 0.627 nan 8.190 nan 0.000 0.452 328 C N -0.461 118.766 119.300 -0.123 0.000 2.456 328 C HA -0.003 4.457 4.460 -0.001 0.000 0.279 328 C C 2.448 177.397 174.990 -0.068 0.000 1.427 328 C CA 0.571 59.550 59.018 -0.065 0.000 1.778 328 C CB -1.218 26.508 27.740 -0.024 0.000 1.842 328 C HN 0.475 nan 8.230 nan 0.000 0.531 329 R N -0.674 119.766 120.500 -0.100 0.000 2.437 329 R HA 0.154 4.493 4.340 -0.001 0.000 0.257 329 R C 1.499 177.730 176.300 -0.114 0.000 0.927 329 R CA -0.183 55.872 56.100 -0.076 0.000 1.078 329 R CB -0.004 30.274 30.300 -0.035 0.000 1.161 329 R HN 0.318 nan 8.270 nan 0.000 0.529 330 L N 1.747 122.843 121.223 -0.212 0.000 2.131 330 L HA 0.092 4.432 4.340 -0.001 0.000 0.206 330 L C -1.157 175.669 176.870 -0.074 0.000 1.087 330 L CA 1.330 56.037 54.840 -0.222 0.000 0.767 330 L CB -0.582 41.211 42.059 -0.444 0.000 0.917 330 L HN -0.070 nan 8.230 nan 0.000 0.441 331 P HA -0.105 nan 4.420 nan 0.000 0.213 331 P C -1.367 175.949 177.300 0.027 0.000 1.170 331 P CA 2.030 65.145 63.100 0.027 0.000 0.898 331 P CB -1.245 30.473 31.700 0.031 0.000 0.787 332 P HA -0.101 nan 4.420 nan 0.000 0.217 332 P C 1.660 178.967 177.300 0.012 0.000 1.150 332 P CA 1.425 64.531 63.100 0.011 0.000 0.832 332 P CB -0.300 31.403 31.700 0.005 0.000 0.787 333 R N -0.278 120.224 120.500 0.004 0.000 2.083 333 R HA -0.113 4.227 4.340 -0.001 0.000 0.237 333 R C 2.264 178.575 176.300 0.018 0.000 1.137 333 R CA 1.496 57.601 56.100 0.008 0.000 0.951 333 R CB -0.859 29.441 30.300 0.000 0.000 0.851 333 R HN 0.146 nan 8.270 nan 0.000 0.434 334 I N -0.135 120.452 120.570 0.029 0.000 2.226 334 I HA -0.295 3.874 4.170 -0.001 0.000 0.245 334 I C 2.547 178.688 176.117 0.040 0.000 1.100 334 I CA 1.083 62.411 61.300 0.047 0.000 1.374 334 I CB -0.281 37.783 38.000 0.106 0.000 1.057 334 I HN 0.186 nan 8.210 nan 0.000 0.413 335 R N 1.589 122.114 120.500 0.041 0.000 2.147 335 R HA -0.227 4.112 4.340 -0.001 0.000 0.225 335 R C 2.565 178.875 176.300 0.016 0.000 1.120 335 R CA 2.365 58.483 56.100 0.030 0.000 0.891 335 R CB -0.495 29.821 30.300 0.027 0.000 0.822 335 R HN 0.311 nan 8.270 nan 0.000 0.433 336 R N 0.418 120.927 120.500 0.013 0.000 2.162 336 R HA -0.257 4.082 4.340 -0.001 0.000 0.245 336 R C 2.227 178.531 176.300 0.007 0.000 1.129 336 R CA 2.123 58.228 56.100 0.009 0.000 0.940 336 R CB -1.565 28.740 30.300 0.009 0.000 0.875 336 R HN 0.312 nan 8.270 nan 0.000 0.437 337 L N 1.559 122.787 121.223 0.008 0.000 1.952 337 L HA -0.214 4.126 4.340 -0.001 0.000 0.231 337 L C 1.365 178.234 176.870 -0.001 0.000 1.088 337 L CA 2.140 56.983 54.840 0.006 0.000 0.802 337 L CB -0.552 41.512 42.059 0.008 0.000 0.903 337 L HN 0.329 nan 8.230 nan 0.000 0.439 338 E N -0.734 119.464 120.200 -0.004 0.000 2.322 338 E HA -0.081 4.268 4.350 -0.001 0.000 0.195 338 E C 1.259 177.851 176.600 -0.014 0.000 1.198 338 E CA 0.199 56.589 56.400 -0.015 0.000 1.132 338 E CB -0.020 29.661 29.700 -0.032 0.000 1.213 338 E HN 0.599 nan 8.360 nan 0.000 0.450 339 E N 1.617 121.813 120.200 -0.007 0.000 2.052 339 E HA -0.047 4.302 4.350 -0.001 0.000 0.192 339 E C 0.646 177.241 176.600 -0.008 0.000 0.958 339 E CA -0.182 56.215 56.400 -0.006 0.000 0.835 339 E CB 0.210 29.910 29.700 -0.001 0.000 0.811 339 E HN 0.108 nan 8.360 nan 0.000 0.462 340 R N 1.373 121.870 120.500 -0.005 0.000 2.998 340 R HA 0.034 4.374 4.340 -0.001 0.000 0.274 340 R C -0.601 175.696 176.300 -0.006 0.000 1.393 340 R CA 0.502 56.600 56.100 -0.004 0.000 0.983 340 R CB -0.572 29.727 30.300 -0.001 0.000 1.111 340 R HN 0.111 nan 8.270 nan 0.000 0.514 341 A N 3.777 126.592 122.820 -0.008 0.000 3.118 341 A HA 0.061 4.381 4.320 -0.001 0.000 0.256 341 A C 0.969 178.550 177.584 -0.004 0.000 1.667 341 A CA -0.535 51.497 52.037 -0.008 0.000 1.338 341 A CB 0.136 19.129 19.000 -0.013 0.000 1.127 341 A HN 0.679 nan 8.150 nan 0.000 0.634 342 Q N 0.663 120.462 119.800 -0.002 0.000 1.990 342 Q HA -0.035 4.305 4.340 -0.001 0.000 0.195 342 Q C 2.003 178.005 176.000 0.002 0.000 0.977 342 Q CA 1.680 57.483 55.803 0.000 0.000 0.828 342 Q CB -0.548 28.191 28.738 0.001 0.000 0.896 342 Q HN 0.700 nan 8.270 nan 0.000 0.447 343 G N 0.515 109.316 108.800 0.003 0.000 2.848 343 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.208 343 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.208 343 G C 1.373 176.277 174.900 0.007 0.000 1.152 343 G CA 0.043 45.146 45.100 0.005 0.000 0.789 343 G HN 0.031 nan 8.290 nan 0.000 0.531 344 R N -0.916 119.587 120.500 0.006 0.000 2.568 344 R HA 0.328 4.667 4.340 -0.001 0.000 0.254 344 R C 1.992 178.296 176.300 0.008 0.000 0.925 344 R CA 0.826 56.931 56.100 0.008 0.000 1.025 344 R CB 0.094 30.398 30.300 0.007 0.000 1.428 344 R HN 0.180 nan 8.270 nan 0.000 0.573 345 A N 1.151 123.973 122.820 0.004 0.000 1.871 345 A HA 0.071 4.391 4.320 -0.001 0.000 0.211 345 A C 1.858 179.446 177.584 0.007 0.000 1.207 345 A CA 0.730 52.769 52.037 0.003 0.000 0.620 345 A CB -0.017 18.982 19.000 -0.003 0.000 0.860 345 A HN 0.147 nan 8.150 nan 0.000 0.450 346 K N 0.199 120.603 120.400 0.006 0.000 1.991 346 K HA -0.068 4.252 4.320 -0.001 0.000 0.207 346 K C 1.006 177.612 176.600 0.009 0.000 1.045 346 K CA 1.519 57.810 56.287 0.007 0.000 0.937 346 K CB -0.166 32.338 32.500 0.006 0.000 0.720 346 K HN 0.460 nan 8.250 nan 0.000 0.438 347 E N 1.046 121.252 120.200 0.009 0.000 2.321 347 E HA 0.118 4.467 4.350 -0.001 0.000 0.189 347 E C -0.709 175.898 176.600 0.012 0.000 1.125 347 E CA -0.469 55.936 56.400 0.010 0.000 1.005 347 E CB 0.393 30.098 29.700 0.008 0.000 1.140 347 E HN 0.238 nan 8.360 nan 0.000 0.457 348 A N 2.995 125.824 122.820 0.015 0.000 2.454 348 A HA 0.230 4.550 4.320 -0.001 0.000 0.260 348 A C -1.840 175.755 177.584 0.018 0.000 1.106 348 A CA -1.221 50.828 52.037 0.020 0.000 0.780 348 A CB -0.004 19.011 19.000 0.026 0.000 1.044 348 A HN 0.056 nan 8.150 nan 0.000 0.498 349 P HA 0.247 nan 4.420 nan 0.000 0.274 349 P C -0.108 177.196 177.300 0.006 0.000 1.256 349 P CA -0.195 62.907 63.100 0.002 0.000 0.795 349 P CB 0.544 32.237 31.700 -0.012 0.000 1.038 350 T N 1.052 115.607 114.554 0.002 0.000 2.882 350 T HA 0.548 4.898 4.350 -0.001 0.000 0.287 350 T C 0.066 174.753 174.700 -0.022 0.000 0.992 350 T CA -0.090 62.018 62.100 0.014 0.000 1.076 350 T CB -0.086 68.795 68.868 0.021 0.000 0.961 350 T HN 0.458 nan 8.240 nan 0.000 0.490 351 M N 5.917 125.510 119.600 -0.011 0.000 2.378 351 M HA 0.578 5.058 4.480 -0.001 0.000 0.289 351 M C -2.829 173.424 176.300 -0.078 0.000 1.136 351 M CA -1.963 53.258 55.300 -0.132 0.000 0.917 351 M CB 2.644 35.045 32.600 -0.331 0.000 1.669 351 M HN 0.201 nan 8.290 nan 0.000 0.461 352 P HA 0.319 nan 4.420 nan 0.000 0.279 352 P C -1.576 175.577 177.300 -0.244 0.000 1.239 352 P CA 0.144 63.204 63.100 -0.068 0.000 0.789 352 P CB 0.351 32.008 31.700 -0.072 0.000 0.933 353 F N 0.722 120.613 119.950 -0.098 0.000 2.482 353 F HA 0.185 4.711 4.527 -0.000 0.000 0.331 353 F C 1.878 177.580 175.800 -0.164 0.000 1.115 353 F CA -0.223 57.660 58.000 -0.196 0.000 0.955 353 F CB 1.761 40.660 39.000 -0.167 0.000 1.136 353 F HN 0.273 nan 8.300 nan 0.000 0.452 354 S N 2.378 118.009 115.700 -0.116 0.000 2.474 354 S HA -0.139 4.331 4.470 -0.001 0.000 0.235 354 S C 1.456 176.072 174.600 0.028 0.000 0.997 354 S CA 0.485 58.652 58.200 -0.055 0.000 0.949 354 S CB -0.292 62.859 63.200 -0.081 0.000 0.766 354 S HN 0.703 nan 8.310 nan 0.000 0.517 355 W N 2.465 123.790 121.300 0.042 0.000 2.467 355 W HA 0.277 4.937 4.660 -0.000 0.000 0.275 355 W C 1.398 177.820 176.519 -0.162 0.000 1.239 355 W CA -0.196 57.119 57.345 -0.050 0.000 1.266 355 W CB -0.679 28.805 29.460 0.040 0.000 1.112 355 W HN 0.483 nan 8.180 nan 0.000 0.576 356 I N -4.438 116.216 120.570 0.139 0.000 3.266 356 I HA 0.301 4.471 4.170 -0.001 0.000 0.346 356 I C -0.405 175.808 176.117 0.160 0.000 1.458 356 I CA -0.832 60.517 61.300 0.081 0.000 0.997 356 I CB -1.182 36.924 38.000 0.177 0.000 1.733 356 I HN -0.272 nan 8.210 nan 0.000 0.507 357 F N 0.910 120.921 119.950 0.101 0.000 3.090 357 F HA -0.287 4.240 4.527 -0.001 0.000 0.282 357 F C 0.664 176.496 175.800 0.053 0.000 0.923 357 F CA 1.124 59.161 58.000 0.061 0.000 0.977 357 F CB -2.321 36.698 39.000 0.031 0.000 0.954 357 F HN 0.580 nan 8.300 nan 0.000 0.695 358 D N -1.492 118.999 120.400 0.152 0.000 3.059 358 D HA -0.236 4.404 4.640 -0.001 0.000 0.220 358 D C 0.789 177.159 176.300 0.117 0.000 1.169 358 D CA 1.203 55.265 54.000 0.103 0.000 0.902 358 D CB -0.516 40.327 40.800 0.070 0.000 1.116 358 D HN 0.573 nan 8.370 nan 0.000 0.417 359 R N 0.201 120.797 120.500 0.161 0.000 2.784 359 R HA 0.263 4.603 4.340 -0.001 0.000 0.266 359 R C 0.792 177.184 176.300 0.152 0.000 1.044 359 R CA 0.283 56.467 56.100 0.139 0.000 1.151 359 R CB 0.524 30.912 30.300 0.148 0.000 1.037 359 R HN 0.216 nan 8.270 nan 0.000 0.478 360 Q N 0.918 120.793 119.800 0.125 0.000 2.309 360 Q HA 0.468 4.808 4.340 -0.001 0.000 0.264 360 Q C -0.687 175.401 176.000 0.147 0.000 1.008 360 Q CA -0.833 55.051 55.803 0.136 0.000 0.853 360 Q CB 2.400 31.181 28.738 0.071 0.000 1.314 360 Q HN 0.452 nan 8.270 nan 0.000 0.448 361 V N -1.433 118.601 119.914 0.201 0.000 3.040 361 V HA 0.555 4.675 4.120 -0.001 0.000 0.312 361 V C -0.748 175.431 176.094 0.143 0.000 1.115 361 V CA -1.298 61.091 62.300 0.147 0.000 0.998 361 V CB 1.916 33.803 31.823 0.107 0.000 1.042 361 V HN 0.640 nan 8.190 nan 0.000 0.433 362 K N 1.890 122.347 120.400 0.094 0.000 2.383 362 K HA 0.405 4.725 4.320 -0.001 0.000 0.286 362 K C -0.435 176.216 176.600 0.085 0.000 1.051 362 K CA -0.404 55.927 56.287 0.074 0.000 0.974 362 K CB 0.573 33.105 32.500 0.052 0.000 0.968 362 K HN 0.596 nan 8.250 nan 0.000 0.475 363 L N 0.000 121.274 121.223 0.084 0.000 2.949 363 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 363 L CA 0.000 54.896 54.840 0.093 0.000 0.813 363 L CB 0.000 42.112 42.059 0.088 0.000 0.961 363 L HN 0.000 nan 8.230 nan 0.000 0.502