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 3h0m_1_E DATA FIRST_RESID 3 DATA SEQUENCE EKYEAVIGLE IHVQMDTKTK MFCGCKVEFG AEPNTNVCPV CLGMPGALPI DATA SEQUENCE VNKRAVEYAI RASLALNCEV HEESVFARKH YFYPDLPKGY QISQYEKPLA DATA SEQUENCE TNGWVELNLP NGEKKKVRIR RLHIEEDAGK NIHEGDKTLV DLNRAGTPLM DATA SEQUENCE EIVTEPDIRT PEEARLFLEK LRNIMRYAGV SKADMEKGQL RCDINVSIRP DATA SEQUENCE KGSKEFGTRV EIKNVNSFRF VQKALEYEIE RQINVVEEGG EVVQETRTFD DATA SEQUENCE PQTGKTYPMR TKEEAEDYRY FPDPDLVPLK VKKEWIEEIK KNMPELPDQR DATA SEQUENCE FERLIKEYGL SEYEAGILVN HKEVGDFFEE AVRHFKEPKG IVNWLINDLL DATA SEQUENCE GLLRDKGISI EESPVKPEHL AELVKLIKEK VISTKIGKEV IKEMVETGKT DATA SEQUENCE PSQIVEEKGL 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.590 176.600 -0.016 0.000 1.382 3 E CA 0.000 56.411 56.400 0.018 0.000 0.976 3 E CB 0.000 29.724 29.700 0.039 0.000 0.812 4 K N 1.957 122.330 120.400 -0.045 0.000 2.097 4 K HA -0.012 4.309 4.320 0.001 0.000 0.205 4 K C 0.333 176.739 176.600 -0.323 0.000 1.050 4 K CA 1.060 57.213 56.287 -0.222 0.000 0.938 4 K CB -0.047 32.226 32.500 -0.378 0.000 0.718 4 K HN 0.387 nan 8.250 nan 0.000 0.442 5 Y N 0.549 120.831 120.300 -0.030 0.000 2.534 5 Y HA 0.294 4.844 4.550 0.001 0.000 0.338 5 Y C 0.136 176.013 175.900 -0.038 0.000 1.279 5 Y CA -0.753 57.326 58.100 -0.035 0.000 1.436 5 Y CB 0.923 39.362 38.460 -0.033 0.000 1.573 5 Y HN -0.119 nan 8.280 nan 0.000 0.567 6 E N -0.251 120.056 120.200 0.179 0.000 2.354 6 E HA 0.626 4.977 4.350 0.001 0.000 0.283 6 E C -1.883 174.749 176.600 0.053 0.000 0.938 6 E CA -0.810 55.630 56.400 0.066 0.000 0.777 6 E CB 1.642 31.349 29.700 0.012 0.000 1.222 6 E HN 0.664 nan 8.360 nan 0.000 0.423 7 A N 2.813 125.647 122.820 0.023 0.000 2.292 7 A HA 0.582 4.903 4.320 0.001 0.000 0.319 7 A C -0.715 176.875 177.584 0.011 0.000 1.206 7 A CA -0.542 51.501 52.037 0.010 0.000 0.835 7 A CB 0.889 19.886 19.000 -0.004 0.000 1.164 7 A HN 0.270 nan 8.150 nan 0.000 0.505 8 V N 3.658 123.589 119.914 0.028 0.000 2.347 8 V HA 0.483 4.604 4.120 0.001 0.000 0.280 8 V C -0.339 175.778 176.094 0.038 0.000 1.021 8 V CA -0.102 62.232 62.300 0.057 0.000 0.847 8 V CB 0.577 32.487 31.823 0.145 0.000 0.990 8 V HN 0.704 nan 8.190 nan 0.000 0.444 9 I N 3.769 124.343 120.570 0.006 0.000 2.466 9 I HA 0.750 4.921 4.170 0.001 0.000 0.289 9 I C 0.553 176.633 176.117 -0.063 0.000 1.026 9 I CA -0.154 61.129 61.300 -0.028 0.000 1.078 9 I CB 2.176 40.149 38.000 -0.045 0.000 1.249 9 I HN 0.740 nan 8.210 nan 0.000 0.429 10 G N 6.388 115.150 108.800 -0.064 0.000 2.498 10 G HA2 0.861 4.821 3.960 0.001 0.000 0.312 10 G HA3 0.861 4.821 3.960 0.001 0.000 0.312 10 G C -1.266 173.577 174.900 -0.094 0.000 1.230 10 G CA -0.572 44.468 45.100 -0.100 0.000 0.968 10 G HN 0.403 nan 8.290 nan 0.000 0.481 11 L N 0.183 121.332 121.223 -0.123 0.000 2.401 11 L HA 0.510 4.851 4.340 0.001 0.000 0.266 11 L C -0.686 176.164 176.870 -0.033 0.000 0.991 11 L CA -0.780 54.021 54.840 -0.065 0.000 0.818 11 L CB 2.878 44.896 42.059 -0.069 0.000 1.321 11 L HN 0.495 nan 8.230 nan 0.000 0.413 12 E N 2.877 123.081 120.200 0.008 0.000 2.145 12 E HA 0.515 4.866 4.350 0.001 0.000 0.262 12 E C -1.271 175.336 176.600 0.012 0.000 0.883 12 E CA -0.380 56.014 56.400 -0.009 0.000 0.748 12 E CB 1.934 31.650 29.700 0.028 0.000 1.140 12 E HN 0.297 nan 8.360 nan 0.000 0.417 13 I N 2.749 123.287 120.570 -0.053 0.000 2.404 13 I HA 0.249 4.420 4.170 0.001 0.000 0.293 13 I C -0.545 175.486 176.117 -0.142 0.000 0.992 13 I CA -0.502 60.804 61.300 0.011 0.000 1.149 13 I CB 1.122 39.167 38.000 0.074 0.000 1.315 13 I HN 0.471 nan 8.210 nan 0.000 0.446 14 H N 4.379 123.475 119.070 0.044 0.000 2.459 14 H HA 0.693 5.249 4.556 0.001 0.000 0.332 14 H C -0.930 174.422 175.328 0.040 0.000 1.094 14 H CA -0.588 55.479 56.048 0.030 0.000 1.224 14 H CB 1.608 31.395 29.762 0.041 0.000 1.449 14 H HN 0.227 nan 8.280 nan 0.000 0.484 15 V N 3.562 123.544 119.914 0.114 0.000 2.483 15 V HA 0.185 4.305 4.120 0.001 0.000 0.297 15 V C -0.241 175.903 176.094 0.084 0.000 1.027 15 V CA -0.910 61.439 62.300 0.082 0.000 0.855 15 V CB 1.669 33.514 31.823 0.038 0.000 0.995 15 V HN 0.738 nan 8.190 nan 0.000 0.424 16 Q N 4.606 124.455 119.800 0.081 0.000 2.288 16 Q HA 0.497 4.837 4.340 0.001 0.000 0.258 16 Q C -0.652 175.395 176.000 0.079 0.000 0.957 16 Q CA -0.389 55.460 55.803 0.077 0.000 0.919 16 Q CB 1.001 29.781 28.738 0.071 0.000 1.185 16 Q HN 0.690 nan 8.270 nan 0.000 0.408 17 M N 3.085 122.737 119.600 0.086 0.000 2.180 17 M HA 0.062 4.543 4.480 0.001 0.000 0.358 17 M C -0.086 176.290 176.300 0.126 0.000 1.233 17 M CA -0.235 55.146 55.300 0.135 0.000 1.114 17 M CB 0.684 33.359 32.600 0.124 0.000 1.594 17 M HN 0.538 nan 8.290 nan 0.000 0.467 18 D N 3.250 123.772 120.400 0.202 0.000 2.848 18 D HA 0.023 4.663 4.640 0.001 0.000 0.232 18 D C -0.177 176.210 176.300 0.145 0.000 1.107 18 D CA -0.008 54.093 54.000 0.170 0.000 1.020 18 D CB 0.084 40.984 40.800 0.167 0.000 1.148 18 D HN 0.563 nan 8.370 nan 0.000 0.453 19 T N -2.134 112.424 114.554 0.008 0.000 2.918 19 T HA 0.259 4.609 4.350 0.001 0.000 0.283 19 T C 1.337 176.014 174.700 -0.037 0.000 1.001 19 T CA -0.831 61.208 62.100 -0.103 0.000 1.041 19 T CB 1.891 70.644 68.868 -0.192 0.000 1.028 19 T HN 0.023 nan 8.240 nan 0.000 0.511 20 K N 0.332 120.705 120.400 -0.045 0.000 2.097 20 K HA 0.022 4.343 4.320 0.001 0.000 0.205 20 K C 0.767 177.354 176.600 -0.022 0.000 1.050 20 K CA 0.968 57.244 56.287 -0.018 0.000 0.938 20 K CB -0.099 32.391 32.500 -0.017 0.000 0.718 20 K HN 0.555 nan 8.250 nan 0.000 0.442 21 T N 0.833 115.361 114.554 -0.044 0.000 2.950 21 T HA 0.258 4.609 4.350 0.001 0.000 0.288 21 T C -0.183 174.484 174.700 -0.055 0.000 1.035 21 T CA -0.762 61.313 62.100 -0.042 0.000 1.028 21 T CB 2.010 70.849 68.868 -0.048 0.000 1.109 21 T HN -0.049 nan 8.240 nan 0.000 0.514 22 K N 0.843 121.215 120.400 -0.046 0.000 2.132 22 K HA 0.218 4.538 4.320 0.001 0.000 0.240 22 K C 1.314 177.834 176.600 -0.133 0.000 1.036 22 K CA -0.554 55.696 56.287 -0.061 0.000 0.888 22 K CB 0.231 32.717 32.500 -0.024 0.000 1.071 22 K HN 0.407 nan 8.250 nan 0.000 0.502 23 M N 0.307 119.777 119.600 -0.218 0.000 2.117 23 M HA -0.074 4.406 4.480 0.001 0.000 0.262 23 M C 0.494 176.383 176.300 -0.686 0.000 1.065 23 M CA 1.968 56.953 55.300 -0.525 0.000 1.114 23 M CB 0.118 32.265 32.600 -0.756 0.000 1.361 23 M HN 0.561 nan 8.290 nan 0.000 0.408 24 F N -0.902 119.009 119.950 -0.066 0.000 2.729 24 F HA 0.307 4.835 4.527 0.001 0.000 0.315 24 F C 0.320 176.085 175.800 -0.058 0.000 1.102 24 F CA -0.835 57.114 58.000 -0.084 0.000 1.204 24 F CB 0.016 38.952 39.000 -0.107 0.000 1.052 24 F HN 0.297 nan 8.300 nan 0.000 0.551 25 C N -2.799 116.546 119.300 0.074 0.000 3.312 25 C HA 0.743 5.204 4.460 0.001 0.000 0.332 25 C C 1.239 176.233 174.990 0.007 0.000 1.340 25 C CA -0.623 58.420 59.018 0.042 0.000 1.265 25 C CB 1.111 28.876 27.740 0.042 0.000 1.563 25 C HN 0.313 nan 8.230 nan 0.000 0.471 26 G N -0.027 108.775 108.800 0.004 0.000 3.155 26 G HA2 0.289 4.249 3.960 0.001 0.000 0.213 26 G HA3 0.289 4.249 3.960 0.001 0.000 0.213 26 G C 0.453 175.350 174.900 -0.005 0.000 1.196 26 G CA 0.186 45.283 45.100 -0.005 0.000 0.846 26 G HN 1.013 nan 8.290 nan 0.000 0.516 27 C N 0.785 120.083 119.300 -0.003 0.000 2.676 27 C HA 0.261 4.721 4.460 0.001 0.000 0.416 27 C C 1.003 175.990 174.990 -0.004 0.000 1.299 27 C CA -0.732 58.285 59.018 -0.002 0.000 2.048 27 C CB 0.555 28.296 27.740 0.000 0.000 2.713 27 C HN 0.389 nan 8.230 nan 0.000 0.624 28 K N 1.359 121.759 120.400 -0.001 0.000 2.326 28 K HA 0.330 4.651 4.320 0.001 0.000 0.275 28 K C -0.616 175.989 176.600 0.008 0.000 1.018 28 K CA -0.219 56.069 56.287 0.002 0.000 0.962 28 K CB 0.621 33.125 32.500 0.006 0.000 0.953 28 K HN 0.421 nan 8.250 nan 0.000 0.475 29 V N 4.104 124.025 119.914 0.012 0.000 2.406 29 V HA 0.148 4.269 4.120 0.001 0.000 0.272 29 V C -0.023 176.099 176.094 0.047 0.000 1.043 29 V CA -0.027 62.290 62.300 0.028 0.000 0.915 29 V CB 0.500 32.337 31.823 0.024 0.000 0.988 29 V HN 0.912 nan 8.190 nan 0.000 0.466 30 E N 4.681 124.919 120.200 0.065 0.000 2.388 30 E HA 0.432 4.782 4.350 0.001 0.000 0.280 30 E C -1.664 175.018 176.600 0.136 0.000 1.019 30 E CA -0.894 55.562 56.400 0.093 0.000 0.806 30 E CB 1.640 31.376 29.700 0.060 0.000 1.246 30 E HN 0.298 nan 8.360 nan 0.000 0.443 31 F N 1.413 121.368 119.950 0.009 0.000 2.404 31 F HA 0.520 5.048 4.527 0.001 0.000 0.339 31 F C 1.135 176.939 175.800 0.007 0.000 1.105 31 F CA 0.911 58.916 58.000 0.009 0.000 1.087 31 F CB 1.535 40.541 39.000 0.010 0.000 1.143 31 F HN 0.823 nan 8.300 nan 0.000 0.491 32 G N 4.117 112.465 108.800 -0.754 0.000 2.295 32 G HA2 -0.028 3.932 3.960 0.001 0.000 0.287 32 G HA3 -0.028 3.932 3.960 0.001 0.000 0.287 32 G C -0.017 174.747 174.900 -0.227 0.000 1.055 32 G CA 0.100 44.866 45.100 -0.556 0.000 0.922 32 G HN 1.145 nan 8.290 nan 0.000 0.503 33 A N -0.733 121.991 122.820 -0.160 0.000 2.259 33 A HA 0.719 5.039 4.320 0.001 0.000 0.278 33 A C 0.624 178.154 177.584 -0.089 0.000 1.107 33 A CA -0.197 51.787 52.037 -0.089 0.000 0.828 33 A CB 0.446 19.415 19.000 -0.053 0.000 1.111 33 A HN 0.536 nan 8.150 nan 0.000 0.498 34 E N 1.241 121.406 120.200 -0.060 0.000 2.415 34 E HA 0.140 4.491 4.350 0.001 0.000 0.263 34 E C -2.148 174.421 176.600 -0.051 0.000 0.995 34 E CA -1.380 54.989 56.400 -0.052 0.000 0.915 34 E CB 0.204 29.882 29.700 -0.036 0.000 0.951 34 E HN 0.323 nan 8.360 nan 0.000 0.449 35 P HA -0.150 nan 4.420 nan 0.000 0.264 35 P C -0.660 176.617 177.300 -0.039 0.000 1.183 35 P CA 0.324 63.394 63.100 -0.050 0.000 0.763 35 P CB 0.337 32.008 31.700 -0.048 0.000 0.807 36 N N 0.562 119.240 118.700 -0.036 0.000 2.725 36 N HA -0.148 4.592 4.740 0.001 0.000 0.251 36 N C 0.784 176.280 175.510 -0.024 0.000 1.031 36 N CA 1.428 54.461 53.050 -0.028 0.000 0.720 36 N CB -1.435 37.035 38.487 -0.027 0.000 0.930 36 N HN 0.613 nan 8.380 nan 0.000 0.543 37 T N -4.759 109.781 114.554 -0.025 0.000 3.038 37 T HA 0.056 4.406 4.350 0.001 0.000 0.244 37 T C 0.762 175.453 174.700 -0.015 0.000 1.016 37 T CA 0.101 62.189 62.100 -0.020 0.000 1.098 37 T CB 0.359 69.214 68.868 -0.021 0.000 0.954 37 T HN 0.043 nan 8.240 nan 0.000 0.469 38 N N 2.050 120.741 118.700 -0.015 0.000 3.034 38 N HA 0.520 5.260 4.740 0.001 0.000 0.265 38 N C -1.270 174.236 175.510 -0.007 0.000 1.166 38 N CA 0.101 53.145 53.050 -0.009 0.000 1.081 38 N CB 1.093 39.576 38.487 -0.006 0.000 1.378 38 N HN 0.266 nan 8.380 nan 0.000 0.520 39 V N 0.512 120.421 119.914 -0.008 0.000 3.147 39 V HA 0.664 4.785 4.120 0.001 0.000 0.299 39 V C -1.022 175.068 176.094 -0.008 0.000 1.302 39 V CA -0.652 61.643 62.300 -0.008 0.000 1.015 39 V CB 2.172 33.987 31.823 -0.013 0.000 1.086 39 V HN 0.695 nan 8.190 nan 0.000 0.437 40 C N 3.284 122.580 119.300 -0.007 0.000 3.284 40 C HA 0.651 5.111 4.460 0.001 0.000 0.348 40 C C -2.301 172.684 174.990 -0.010 0.000 1.448 40 C CA -0.633 58.381 59.018 -0.007 0.000 1.223 40 C CB 0.885 28.624 27.740 -0.002 0.000 1.588 40 C HN 0.587 nan 8.230 nan 0.000 0.451 41 P HA -0.096 nan 4.420 nan 0.000 0.215 41 P C 1.782 179.072 177.300 -0.017 0.000 1.157 41 P CA 2.040 65.132 63.100 -0.013 0.000 0.874 41 P CB 0.004 31.699 31.700 -0.009 0.000 0.790 42 V N 0.803 120.711 119.914 -0.010 0.000 2.214 42 V HA -0.322 3.798 4.120 0.001 0.000 0.245 42 V C 2.647 178.731 176.094 -0.016 0.000 1.047 42 V CA 2.558 64.853 62.300 -0.010 0.000 0.998 42 V CB -1.886 29.945 31.823 0.014 0.000 0.633 42 V HN 0.275 nan 8.190 nan 0.000 0.446 43 C N -0.625 118.674 119.300 -0.001 0.000 2.437 43 C HA 0.064 4.525 4.460 0.001 0.000 0.283 43 C C 2.336 177.310 174.990 -0.027 0.000 1.424 43 C CA 0.056 59.072 59.018 -0.004 0.000 1.782 43 C CB -1.800 25.947 27.740 0.011 0.000 1.833 43 C HN 0.544 nan 8.230 nan 0.000 0.532 44 L N 1.223 122.427 121.223 -0.031 0.000 2.558 44 L HA 0.260 4.600 4.340 0.001 0.000 0.225 44 L C 1.892 178.728 176.870 -0.056 0.000 1.128 44 L CA 0.911 55.728 54.840 -0.038 0.000 0.868 44 L CB -0.515 41.528 42.059 -0.028 0.000 1.006 44 L HN 0.563 nan 8.230 nan 0.000 0.454 45 G N 0.861 109.617 108.800 -0.073 0.000 2.256 45 G HA2 -0.301 3.659 3.960 0.001 0.000 0.272 45 G HA3 -0.301 3.659 3.960 0.001 0.000 0.272 45 G C 0.073 174.934 174.900 -0.065 0.000 1.076 45 G CA -0.008 45.031 45.100 -0.102 0.000 0.882 45 G HN 0.210 nan 8.290 nan 0.000 0.497 46 M N 0.154 119.728 119.600 -0.044 0.000 2.342 46 M HA 0.392 4.872 4.480 0.001 0.000 0.332 46 M C -1.815 174.474 176.300 -0.018 0.000 1.166 46 M CA -1.924 53.360 55.300 -0.027 0.000 1.086 46 M CB 0.912 33.500 32.600 -0.020 0.000 1.541 46 M HN -0.018 nan 8.290 nan 0.000 0.462 47 P HA 0.159 nan 4.420 nan 0.000 0.268 47 P C 0.413 177.714 177.300 0.002 0.000 1.204 47 P CA 0.458 63.559 63.100 0.002 0.000 0.768 47 P CB 0.483 32.186 31.700 0.006 0.000 0.842 48 G N 1.299 110.104 108.800 0.007 0.000 2.176 48 G HA2 -0.110 3.850 3.960 0.001 0.000 0.253 48 G HA3 -0.110 3.850 3.960 0.001 0.000 0.253 48 G C 0.306 175.207 174.900 0.003 0.000 0.979 48 G CA -0.030 45.075 45.100 0.007 0.000 0.641 48 G HN 0.872 nan 8.290 nan 0.000 0.530 49 A N 0.152 122.970 122.820 -0.003 0.000 2.301 49 A HA 0.834 5.155 4.320 0.001 0.000 0.312 49 A C 0.062 177.637 177.584 -0.014 0.000 1.182 49 A CA -0.298 51.733 52.037 -0.009 0.000 0.826 49 A CB 0.689 19.679 19.000 -0.016 0.000 1.134 49 A HN 0.843 nan 8.150 nan 0.000 0.501 50 L N 3.811 125.025 121.223 -0.015 0.000 2.346 50 L HA 0.522 4.863 4.340 0.001 0.000 0.276 50 L C -2.213 174.635 176.870 -0.036 0.000 1.006 50 L CA -2.051 52.773 54.840 -0.027 0.000 0.817 50 L CB 2.321 44.370 42.059 -0.016 0.000 1.272 50 L HN 0.518 nan 8.230 nan 0.000 0.421 51 P HA 0.407 nan 4.420 nan 0.000 0.279 51 P C -1.068 176.230 177.300 -0.002 0.000 1.239 51 P CA -0.232 62.801 63.100 -0.112 0.000 0.789 51 P CB 1.584 32.982 31.700 -0.504 0.000 0.933 52 I N 2.611 123.269 120.570 0.147 0.000 2.478 52 I HA 0.148 4.318 4.170 0.001 0.000 0.287 52 I C -0.011 176.227 176.117 0.201 0.000 1.042 52 I CA -0.959 60.422 61.300 0.136 0.000 1.067 52 I CB 2.054 40.095 38.000 0.068 0.000 1.233 52 I HN 0.051 nan 8.210 nan 0.000 0.431 53 V N 5.490 125.503 119.914 0.166 0.000 2.540 53 V HA 0.003 4.124 4.120 0.001 0.000 0.297 53 V C 0.744 176.838 176.094 -0.001 0.000 1.024 53 V CA -0.156 62.185 62.300 0.069 0.000 1.105 53 V CB 0.258 32.165 31.823 0.139 0.000 0.938 53 V HN 0.711 nan 8.190 nan 0.000 0.482 54 N N 4.554 123.190 118.700 -0.106 0.000 2.416 54 N HA 0.021 4.761 4.740 0.001 0.000 0.265 54 N C 1.018 176.523 175.510 -0.008 0.000 1.195 54 N CA 0.271 53.272 53.050 -0.082 0.000 0.943 54 N CB 0.618 39.008 38.487 -0.162 0.000 1.115 54 N HN 0.736 nan 8.380 nan 0.000 0.481 55 K N 3.761 124.178 120.400 0.028 0.000 2.032 55 K HA -0.164 4.157 4.320 0.001 0.000 0.209 55 K C 1.794 178.476 176.600 0.136 0.000 1.048 55 K CA 1.102 57.454 56.287 0.108 0.000 0.927 55 K CB 0.071 32.611 32.500 0.066 0.000 0.712 55 K HN 0.516 nan 8.250 nan 0.000 0.441 56 R N 0.056 120.559 120.500 0.005 0.000 2.092 56 R HA -0.083 4.258 4.340 0.001 0.000 0.231 56 R C 2.073 178.236 176.300 -0.228 0.000 1.119 56 R CA 1.274 57.305 56.100 -0.114 0.000 0.970 56 R CB -0.266 29.884 30.300 -0.251 0.000 0.864 56 R HN 0.263 nan 8.270 nan 0.000 0.440 57 A N 0.236 122.951 122.820 -0.175 0.000 1.978 57 A HA -0.100 4.220 4.320 0.001 0.000 0.220 57 A C 2.170 179.761 177.584 0.011 0.000 1.170 57 A CA 1.592 53.555 52.037 -0.124 0.000 0.636 57 A CB -0.358 18.570 19.000 -0.119 0.000 0.810 57 A HN 0.236 nan 8.150 nan 0.000 0.448 58 V N -0.175 119.789 119.914 0.083 0.000 2.407 58 V HA -0.216 3.904 4.120 0.001 0.000 0.245 58 V C 2.462 178.567 176.094 0.019 0.000 1.041 58 V CA 1.987 64.369 62.300 0.137 0.000 1.040 58 V CB -0.667 31.335 31.823 0.297 0.000 0.671 58 V HN 0.782 nan 8.190 nan 0.000 0.455 59 E N -0.206 120.035 120.200 0.070 0.000 2.049 59 E HA -0.285 4.066 4.350 0.001 0.000 0.198 59 E C 2.275 178.912 176.600 0.062 0.000 1.007 59 E CA 2.070 58.443 56.400 -0.045 0.000 0.809 59 E CB -0.257 29.570 29.700 0.210 0.000 0.749 59 E HN 0.606 nan 8.360 nan 0.000 0.450 60 Y N 0.068 120.330 120.300 -0.063 0.000 2.207 60 Y HA -0.125 4.426 4.550 0.001 0.000 0.287 60 Y C 2.368 178.219 175.900 -0.082 0.000 1.156 60 Y CA 0.970 59.034 58.100 -0.061 0.000 1.182 60 Y CB -1.016 37.428 38.460 -0.026 0.000 0.979 60 Y HN 0.208 nan 8.280 nan 0.000 0.521 61 A N -0.461 122.416 122.820 0.095 0.000 1.968 61 A HA -0.075 4.246 4.320 0.001 0.000 0.217 61 A C 2.297 179.848 177.584 -0.055 0.000 1.169 61 A CA 1.169 53.218 52.037 0.020 0.000 0.638 61 A CB -0.898 18.124 19.000 0.036 0.000 0.812 61 A HN 0.410 nan 8.150 nan 0.000 0.446 62 I N -0.844 119.655 120.570 -0.118 0.000 2.163 62 I HA -0.220 3.951 4.170 0.001 0.000 0.240 62 I C 2.627 178.638 176.117 -0.176 0.000 1.081 62 I CA 1.636 62.821 61.300 -0.192 0.000 1.353 62 I CB -0.289 37.492 38.000 -0.366 0.000 1.054 62 I HN 0.369 nan 8.210 nan 0.000 0.407 63 R N 1.485 121.885 120.500 -0.167 0.000 2.083 63 R HA -0.217 4.123 4.340 0.001 0.000 0.237 63 R C 2.324 178.540 176.300 -0.139 0.000 1.137 63 R CA 1.874 57.883 56.100 -0.152 0.000 0.951 63 R CB -0.391 29.822 30.300 -0.146 0.000 0.851 63 R HN 0.354 nan 8.270 nan 0.000 0.434 64 A N -0.168 122.582 122.820 -0.118 0.000 1.978 64 A HA -0.129 4.191 4.320 0.001 0.000 0.220 64 A C 2.203 179.712 177.584 -0.124 0.000 1.170 64 A CA 1.902 53.871 52.037 -0.112 0.000 0.636 64 A CB -0.483 18.470 19.000 -0.078 0.000 0.810 64 A HN 0.457 nan 8.150 nan 0.000 0.448 65 S N -0.667 114.960 115.700 -0.122 0.000 2.395 65 S HA 0.034 4.504 4.470 0.001 0.000 0.225 65 S C 1.802 176.304 174.600 -0.163 0.000 1.027 65 S CA 1.035 59.160 58.200 -0.125 0.000 0.965 65 S CB -0.317 62.819 63.200 -0.106 0.000 0.812 65 S HN 0.532 nan 8.310 nan 0.000 0.482 66 L N 1.087 122.210 121.223 -0.168 0.000 2.027 66 L HA -0.041 4.299 4.340 0.001 0.000 0.206 66 L C 2.753 179.492 176.870 -0.218 0.000 1.074 66 L CA 1.151 55.880 54.840 -0.185 0.000 0.745 66 L CB -0.670 41.295 42.059 -0.157 0.000 0.898 66 L HN 0.287 nan 8.230 nan 0.000 0.433 67 A N -0.035 122.670 122.820 -0.191 0.000 2.032 67 A HA -0.159 4.161 4.320 0.001 0.000 0.221 67 A C 2.017 179.443 177.584 -0.264 0.000 1.165 67 A CA 1.501 53.418 52.037 -0.200 0.000 0.645 67 A CB -0.641 18.264 19.000 -0.158 0.000 0.807 67 A HN 0.447 nan 8.150 nan 0.000 0.453 68 L N -1.069 119.993 121.223 -0.269 0.000 2.653 68 L HA 0.131 4.471 4.340 0.001 0.000 0.231 68 L C 0.017 176.601 176.870 -0.477 0.000 1.153 68 L CA -0.210 54.442 54.840 -0.312 0.000 0.933 68 L CB -0.246 41.698 42.059 -0.191 0.000 1.175 68 L HN 0.360 nan 8.230 nan 0.000 0.473 69 N N -1.147 117.230 118.700 -0.539 0.000 2.747 69 N HA -0.170 4.571 4.740 0.001 0.000 0.249 69 N C -0.121 175.117 175.510 -0.452 0.000 1.107 69 N CA 0.548 53.145 53.050 -0.756 0.000 0.707 69 N CB -1.907 35.431 38.487 -1.915 0.000 1.054 69 N HN 0.291 nan 8.380 nan 0.000 0.555 70 C N 0.878 120.022 119.300 -0.261 0.000 2.443 70 C HA 0.292 4.752 4.460 0.001 0.000 0.369 70 C C 1.453 176.361 174.990 -0.137 0.000 1.241 70 C CA -0.649 58.285 59.018 -0.141 0.000 2.413 70 C CB 1.144 28.815 27.740 -0.114 0.000 2.451 70 C HN 0.327 nan 8.230 nan 0.000 0.595 71 E N 1.084 121.205 120.200 -0.131 0.000 2.217 71 E HA 0.323 4.674 4.350 0.001 0.000 0.279 71 E C -0.920 175.456 176.600 -0.374 0.000 1.068 71 E CA 0.033 56.294 56.400 -0.233 0.000 0.882 71 E CB 0.436 29.987 29.700 -0.249 0.000 1.039 71 E HN 0.418 nan 8.360 nan 0.000 0.418 72 V N 6.931 126.669 119.914 -0.294 0.000 2.364 72 V HA 0.143 4.263 4.120 0.001 0.000 0.272 72 V C 0.027 175.968 176.094 -0.256 0.000 1.036 72 V CA -0.680 61.480 62.300 -0.234 0.000 0.880 72 V CB 0.679 32.419 31.823 -0.138 0.000 0.991 72 V HN 0.693 nan 8.190 nan 0.000 0.460 73 H N 4.359 123.412 119.070 -0.029 0.000 2.690 73 H HA 0.110 4.667 4.556 0.001 0.000 0.314 73 H C 1.065 176.387 175.328 -0.011 0.000 1.069 73 H CA -0.065 55.971 56.048 -0.021 0.000 1.436 73 H CB 1.512 31.256 29.762 -0.030 0.000 1.462 73 H HN 0.809 nan 8.280 nan 0.000 0.511 74 E N 2.892 123.159 120.200 0.111 0.000 2.338 74 E HA -0.124 4.227 4.350 0.001 0.000 0.197 74 E C -0.158 176.491 176.600 0.080 0.000 1.007 74 E CA 0.785 57.235 56.400 0.083 0.000 0.849 74 E CB 0.444 30.185 29.700 0.068 0.000 0.774 74 E HN 0.606 nan 8.360 nan 0.000 0.506 75 E N 0.946 121.189 120.200 0.072 0.000 2.216 75 E HA 0.206 4.557 4.350 0.001 0.000 0.260 75 E C -1.494 175.103 176.600 -0.005 0.000 0.880 75 E CA -0.468 55.952 56.400 0.033 0.000 0.765 75 E CB 1.608 31.321 29.700 0.022 0.000 1.174 75 E HN 0.182 nan 8.360 nan 0.000 0.417 76 S N 1.294 116.968 115.700 -0.043 0.000 2.599 76 S HA 0.708 5.179 4.470 0.001 0.000 0.294 76 S C -0.627 173.866 174.600 -0.178 0.000 1.094 76 S CA -0.779 57.347 58.200 -0.124 0.000 0.931 76 S CB 1.995 65.106 63.200 -0.148 0.000 1.093 76 S HN 0.173 nan 8.310 nan 0.000 0.488 77 V N 1.795 121.588 119.914 -0.201 0.000 2.487 77 V HA 0.451 4.572 4.120 0.001 0.000 0.298 77 V C -1.016 174.961 176.094 -0.194 0.000 1.028 77 V CA -0.744 61.461 62.300 -0.159 0.000 0.860 77 V CB 1.016 32.801 31.823 -0.062 0.000 0.991 77 V HN 0.887 nan 8.190 nan 0.000 0.427 78 F N 3.216 123.178 119.950 0.020 0.000 2.504 78 F HA 0.559 5.086 4.527 0.001 0.000 0.369 78 F C 0.855 176.614 175.800 -0.070 0.000 1.082 78 F CA 0.317 58.326 58.000 0.014 0.000 1.216 78 F CB 0.773 39.802 39.000 0.049 0.000 1.108 78 F HN 0.619 nan 8.300 nan 0.000 0.554 79 A N 4.867 127.755 122.820 0.113 0.000 2.350 79 A HA 0.788 5.108 4.320 0.001 0.000 0.318 79 A C -0.475 177.045 177.584 -0.106 0.000 1.132 79 A CA -1.023 51.001 52.037 -0.022 0.000 0.811 79 A CB 1.214 20.271 19.000 0.095 0.000 1.313 79 A HN 0.768 nan 8.150 nan 0.000 0.454 80 R N 0.885 121.186 120.500 -0.332 0.000 2.265 80 R HA 0.373 4.713 4.340 0.001 0.000 0.319 80 R C -0.600 175.407 176.300 -0.489 0.000 1.006 80 R CA -0.403 55.383 56.100 -0.524 0.000 0.880 80 R CB 1.376 31.078 30.300 -0.996 0.000 1.077 80 R HN 0.628 nan 8.270 nan 0.000 0.454 81 K N 3.258 123.437 120.400 -0.368 0.000 2.339 81 K HA 0.207 4.527 4.320 0.001 0.000 0.264 81 K C -1.170 175.331 176.600 -0.165 0.000 0.986 81 K CA -0.643 55.401 56.287 -0.405 0.000 0.866 81 K CB 0.778 33.092 32.500 -0.310 0.000 1.103 81 K HN 0.631 nan 8.250 nan 0.000 0.441 82 H N 3.516 122.657 119.070 0.118 0.000 2.552 82 H HA 0.285 4.841 4.556 0.001 0.000 0.311 82 H C -1.114 174.396 175.328 0.303 0.000 1.071 82 H CA -0.249 55.886 56.048 0.145 0.000 1.307 82 H CB 0.646 30.444 29.762 0.059 0.000 1.416 82 H HN 0.507 nan 8.280 nan 0.000 0.464 83 Y N 0.510 120.849 120.300 0.064 0.000 2.604 83 Y HA 0.428 4.979 4.550 0.001 0.000 0.331 83 Y C -2.182 173.681 175.900 -0.061 0.000 1.158 83 Y CA -2.014 56.121 58.100 0.059 0.000 1.056 83 Y CB 0.443 39.001 38.460 0.164 0.000 1.330 83 Y HN 0.320 nan 8.280 nan 0.000 0.457 84 F N 3.184 123.248 119.950 0.191 0.000 2.405 84 F HA 0.622 5.150 4.527 0.001 0.000 0.355 84 F C -0.830 175.117 175.800 0.246 0.000 1.121 84 F CA -0.358 57.709 58.000 0.111 0.000 1.112 84 F CB 1.068 40.127 39.000 0.097 0.000 1.126 84 F HN 0.568 nan 8.300 nan 0.000 0.481 85 Y N 4.894 125.250 120.300 0.093 0.000 2.409 85 Y HA 0.244 4.794 4.550 0.001 0.000 0.321 85 Y C -2.225 173.694 175.900 0.031 0.000 1.209 85 Y CA -2.093 56.068 58.100 0.101 0.000 1.086 85 Y CB 1.891 40.458 38.460 0.178 0.000 1.320 85 Y HN 0.242 nan 8.280 nan 0.000 0.440 86 P HA -0.167 nan 4.420 nan 0.000 0.217 86 P C 0.678 177.934 177.300 -0.073 0.000 1.148 86 P CA 2.110 65.105 63.100 -0.174 0.000 0.828 86 P CB 0.257 31.798 31.700 -0.265 0.000 0.783 87 D N -1.592 118.820 120.400 0.021 0.000 2.336 87 D HA -0.007 4.633 4.640 0.001 0.000 0.229 87 D C 0.210 176.547 176.300 0.061 0.000 1.061 87 D CA 0.122 54.171 54.000 0.083 0.000 0.875 87 D CB -0.618 40.275 40.800 0.154 0.000 0.904 87 D HN 0.132 nan 8.370 nan 0.000 0.525 88 L N 1.200 122.430 121.223 0.011 0.000 2.384 88 L HA 0.357 4.697 4.340 0.001 0.000 0.261 88 L C -1.886 174.888 176.870 -0.160 0.000 1.024 88 L CA -1.904 52.870 54.840 -0.110 0.000 0.899 88 L CB 1.665 43.555 42.059 -0.281 0.000 1.243 88 L HN -0.314 nan 8.230 nan 0.000 0.449 89 P HA -0.188 nan 4.420 nan 0.000 0.216 89 P C 0.578 177.751 177.300 -0.212 0.000 1.150 89 P CA 1.518 64.534 63.100 -0.140 0.000 0.843 89 P CB 0.254 31.888 31.700 -0.111 0.000 0.787 90 K N -2.058 118.127 120.400 -0.358 0.000 2.379 90 K HA 0.238 4.558 4.320 0.001 0.000 0.194 90 K C 1.370 177.672 176.600 -0.497 0.000 1.031 90 K CA 0.669 56.634 56.287 -0.536 0.000 1.037 90 K CB -0.098 31.766 32.500 -1.060 0.000 0.824 90 K HN 0.164 nan 8.250 nan 0.000 0.516 91 G N 1.450 109.987 108.800 -0.439 0.000 2.176 91 G HA2 -0.288 3.672 3.960 0.001 0.000 0.253 91 G HA3 -0.288 3.672 3.960 0.001 0.000 0.253 91 G C -0.211 174.508 174.900 -0.302 0.000 0.979 91 G CA 0.708 45.516 45.100 -0.486 0.000 0.641 91 G HN 0.452 nan 8.290 nan 0.000 0.530 92 Y N -2.117 118.018 120.300 -0.275 0.000 2.581 92 Y HA 0.772 5.322 4.550 0.001 0.000 0.337 92 Y C -0.580 175.194 175.900 -0.209 0.000 1.108 92 Y CA -1.203 56.742 58.100 -0.259 0.000 1.033 92 Y CB 0.904 39.191 38.460 -0.290 0.000 1.318 92 Y HN 0.239 nan 8.280 nan 0.000 0.459 93 Q N 3.257 123.109 119.800 0.088 0.000 2.257 93 Q HA 0.527 4.868 4.340 0.001 0.000 0.255 93 Q C -1.189 174.921 176.000 0.183 0.000 0.920 93 Q CA -0.729 55.151 55.803 0.127 0.000 0.927 93 Q CB 1.097 29.953 28.738 0.197 0.000 1.229 93 Q HN 0.825 nan 8.270 nan 0.000 0.433 94 I N 4.248 124.930 120.570 0.187 0.000 2.363 94 I HA 0.102 4.273 4.170 0.001 0.000 0.292 94 I C 0.356 176.650 176.117 0.296 0.000 1.075 94 I CA 0.064 61.455 61.300 0.152 0.000 1.333 94 I CB 0.347 38.301 38.000 -0.077 0.000 1.415 94 I HN 0.754 nan 8.210 nan 0.000 0.502 95 S N 5.494 121.361 115.700 0.278 0.000 3.923 95 S HA 0.614 5.085 4.470 0.001 0.000 0.280 95 S C -0.632 174.121 174.600 0.254 0.000 1.070 95 S CA -0.834 57.569 58.200 0.339 0.000 1.300 95 S CB 1.575 64.935 63.200 0.267 0.000 1.322 95 S HN 0.576 nan 8.310 nan 0.000 0.762 96 Q N -1.232 118.553 119.800 -0.025 0.000 2.495 96 Q HA 0.598 4.939 4.340 0.001 0.000 0.287 96 Q C -1.383 174.425 176.000 -0.320 0.000 1.078 96 Q CA -0.745 54.960 55.803 -0.163 0.000 0.793 96 Q CB 1.933 30.566 28.738 -0.174 0.000 1.459 96 Q HN 0.662 nan 8.270 nan 0.000 0.422 97 Y N 0.957 121.033 120.300 -0.373 0.000 2.340 97 Y HA 0.169 4.719 4.550 0.001 0.000 0.094 97 Y C -0.674 175.024 175.900 -0.336 0.000 1.091 97 Y CA -0.233 57.592 58.100 -0.459 0.000 1.743 97 Y CB -0.137 37.975 38.460 -0.580 0.000 1.093 97 Y HN 0.737 nan 8.280 nan 0.000 0.228 98 E N 3.205 122.986 120.200 -0.698 0.000 2.465 98 E HA 0.137 4.487 4.350 0.001 0.000 0.260 98 E C -0.875 175.568 176.600 -0.262 0.000 0.980 98 E CA 0.331 56.447 56.400 -0.474 0.000 0.927 98 E CB 0.169 29.598 29.700 -0.452 0.000 0.934 98 E HN 0.364 nan 8.360 nan 0.000 0.459 99 K N 1.238 121.484 120.400 -0.257 0.000 3.315 99 K HA -0.077 4.244 4.320 0.001 0.000 0.270 99 K C -2.448 174.034 176.600 -0.196 0.000 1.139 99 K CA 0.425 56.573 56.287 -0.231 0.000 0.806 99 K CB -1.313 31.084 32.500 -0.172 0.000 1.300 99 K HN 0.635 nan 8.250 nan 0.000 0.475 100 P HA 0.060 nan 4.420 nan 0.000 0.276 100 P C 0.877 178.177 177.300 -0.000 0.000 1.261 100 P CA -0.680 62.383 63.100 -0.063 0.000 0.800 100 P CB 0.739 32.449 31.700 0.017 0.000 1.066 101 L N 0.508 121.759 121.223 0.046 0.000 2.046 101 L HA 0.081 4.422 4.340 0.001 0.000 0.208 101 L C 0.685 177.652 176.870 0.162 0.000 1.077 101 L CA 2.035 56.911 54.840 0.061 0.000 0.747 101 L CB -0.948 41.123 42.059 0.020 0.000 0.896 101 L HN 0.561 nan 8.230 nan 0.000 0.432 102 A N -2.506 120.411 122.820 0.162 0.000 2.572 102 A HA 0.733 5.053 4.320 0.001 0.000 0.295 102 A C -0.559 177.104 177.584 0.131 0.000 1.072 102 A CA -0.296 51.804 52.037 0.106 0.000 0.691 102 A CB 1.296 20.286 19.000 -0.016 0.000 1.291 102 A HN 0.052 nan 8.150 nan 0.000 0.404 103 T N 0.281 114.896 114.554 0.102 0.000 2.843 103 T HA 0.545 4.896 4.350 0.001 0.000 0.302 103 T C -0.648 174.089 174.700 0.061 0.000 1.232 103 T CA -0.245 61.936 62.100 0.135 0.000 1.009 103 T CB 1.054 70.115 68.868 0.322 0.000 1.254 103 T HN 1.034 nan 8.240 nan 0.000 0.504 104 N N 0.248 118.992 118.700 0.074 0.000 2.671 104 N HA -0.101 4.640 4.740 0.001 0.000 0.261 104 N C -0.124 175.461 175.510 0.124 0.000 1.053 104 N CA 0.674 53.779 53.050 0.093 0.000 0.732 104 N CB -0.633 37.907 38.487 0.087 0.000 0.887 104 N HN 0.840 nan 8.380 nan 0.000 0.546 105 G N -0.437 108.431 108.800 0.114 0.000 3.013 105 G HA2 0.815 4.775 3.960 0.001 0.000 0.278 105 G HA3 0.815 4.775 3.960 0.001 0.000 0.278 105 G C -1.171 173.882 174.900 0.254 0.000 1.353 105 G CA -0.528 44.620 45.100 0.081 0.000 1.043 105 G HN 0.433 nan 8.290 nan 0.000 0.523 106 W N -1.463 119.840 121.300 0.006 0.000 3.363 106 W HA 0.668 5.329 4.660 0.001 0.000 0.306 106 W C -1.937 174.602 176.519 0.033 0.000 1.253 106 W CA -1.306 56.053 57.345 0.022 0.000 1.195 106 W CB 1.037 30.500 29.460 0.004 0.000 1.366 106 W HN 0.401 nan 8.180 nan 0.000 0.551 107 V N 2.370 122.446 119.914 0.269 0.000 2.513 107 V HA 0.369 4.490 4.120 0.001 0.000 0.299 107 V C -0.417 175.832 176.094 0.259 0.000 1.035 107 V CA -0.886 61.517 62.300 0.172 0.000 0.889 107 V CB 1.589 33.527 31.823 0.192 0.000 0.988 107 V HN 0.664 nan 8.190 nan 0.000 0.440 108 E N 3.165 123.466 120.200 0.169 0.000 2.134 108 E HA 0.420 4.770 4.350 0.001 0.000 0.278 108 E C -1.557 175.060 176.600 0.029 0.000 0.959 108 E CA -0.772 55.702 56.400 0.124 0.000 0.783 108 E CB 1.346 31.116 29.700 0.117 0.000 1.095 108 E HN 0.393 nan 8.360 nan 0.000 0.399 109 L N 4.778 126.024 121.223 0.038 0.000 2.276 109 L HA 0.244 4.584 4.340 0.001 0.000 0.286 109 L C 0.039 176.888 176.870 -0.035 0.000 1.061 109 L CA -0.139 54.703 54.840 0.002 0.000 0.807 109 L CB 1.077 43.160 42.059 0.040 0.000 1.177 109 L HN 0.457 nan 8.230 nan 0.000 0.429 110 N N 5.376 124.032 118.700 -0.072 0.000 2.414 110 N HA 0.341 5.082 4.740 0.001 0.000 0.256 110 N C -0.777 174.702 175.510 -0.053 0.000 1.029 110 N CA -0.454 52.546 53.050 -0.084 0.000 0.948 110 N CB 1.361 39.759 38.487 -0.148 0.000 1.102 110 N HN 0.408 nan 8.380 nan 0.000 0.496 111 L N 3.012 124.214 121.223 -0.035 0.000 2.399 111 L HA 0.304 4.645 4.340 0.001 0.000 0.266 111 L C -1.198 175.664 176.870 -0.013 0.000 1.114 111 L CA -1.718 53.110 54.840 -0.020 0.000 0.804 111 L CB 0.736 42.786 42.059 -0.014 0.000 1.146 111 L HN 0.252 nan 8.230 nan 0.000 0.451 112 P HA -0.050 nan 4.420 nan 0.000 0.231 112 P C 0.480 177.784 177.300 0.006 0.000 1.158 112 P CA 0.778 63.881 63.100 0.005 0.000 0.763 112 P CB 0.098 31.803 31.700 0.008 0.000 0.805 113 N N -1.110 117.590 118.700 0.001 0.000 2.446 113 N HA 0.024 4.765 4.740 0.001 0.000 0.179 113 N C 1.604 177.115 175.510 0.001 0.000 1.054 113 N CA 1.349 54.399 53.050 0.001 0.000 0.905 113 N CB -0.183 38.302 38.487 -0.003 0.000 0.973 113 N HN 0.228 nan 8.380 nan 0.000 0.448 114 G N 0.624 109.424 108.800 -0.001 0.000 2.352 114 G HA2 -0.214 3.746 3.960 0.001 0.000 0.204 114 G HA3 -0.214 3.746 3.960 0.001 0.000 0.204 114 G C -0.226 174.667 174.900 -0.012 0.000 1.004 114 G CA -0.127 44.973 45.100 -0.001 0.000 0.648 114 G HN 0.459 nan 8.290 nan 0.000 0.491 115 E N 1.472 121.664 120.200 -0.014 0.000 2.343 115 E HA 0.580 4.931 4.350 0.001 0.000 0.269 115 E C -0.516 176.068 176.600 -0.027 0.000 1.047 115 E CA -0.353 56.035 56.400 -0.020 0.000 0.874 115 E CB 1.231 30.921 29.700 -0.017 0.000 1.033 115 E HN 0.389 nan 8.360 nan 0.000 0.409 116 K N 1.814 122.195 120.400 -0.030 0.000 2.130 116 K HA 0.338 4.658 4.320 0.001 0.000 0.268 116 K C -0.279 176.307 176.600 -0.024 0.000 0.983 116 K CA -0.634 55.633 56.287 -0.033 0.000 0.893 116 K CB 1.746 34.222 32.500 -0.040 0.000 1.066 116 K HN 0.378 nan 8.250 nan 0.000 0.450 117 K N 1.885 122.278 120.400 -0.012 0.000 2.395 117 K HA 0.365 4.685 4.320 0.001 0.000 0.247 117 K C -1.265 175.348 176.600 0.021 0.000 0.973 117 K CA -0.819 55.465 56.287 -0.004 0.000 0.828 117 K CB 1.571 34.071 32.500 0.000 0.000 1.272 117 K HN 0.340 nan 8.250 nan 0.000 0.439 118 K N 1.458 121.867 120.400 0.016 0.000 2.270 118 K HA 0.462 4.782 4.320 0.001 0.000 0.255 118 K C -1.462 175.178 176.600 0.066 0.000 0.936 118 K CA -0.875 55.448 56.287 0.060 0.000 0.809 118 K CB 2.196 34.688 32.500 -0.012 0.000 1.131 118 K HN 0.243 nan 8.250 nan 0.000 0.427 119 V N 3.350 123.341 119.914 0.128 0.000 2.487 119 V HA 0.406 4.527 4.120 0.001 0.000 0.298 119 V C -0.291 175.885 176.094 0.135 0.000 1.028 119 V CA -1.007 61.330 62.300 0.063 0.000 0.860 119 V CB 1.580 33.381 31.823 -0.038 0.000 0.991 119 V HN 0.690 nan 8.190 nan 0.000 0.427 120 R N 4.062 124.611 120.500 0.081 0.000 2.390 120 R HA 0.446 4.787 4.340 0.001 0.000 0.291 120 R C -0.649 175.699 176.300 0.079 0.000 1.070 120 R CA -0.630 55.546 56.100 0.127 0.000 1.014 120 R CB 0.770 31.123 30.300 0.088 0.000 1.007 120 R HN 0.482 nan 8.270 nan 0.000 0.466 121 I N 4.198 124.835 120.570 0.113 0.000 2.363 121 I HA 0.032 4.202 4.170 0.001 0.000 0.292 121 I C 1.707 177.853 176.117 0.047 0.000 1.075 121 I CA 0.259 61.599 61.300 0.067 0.000 1.333 121 I CB 0.810 38.841 38.000 0.052 0.000 1.415 121 I HN 0.685 nan 8.210 nan 0.000 0.502 122 R N 7.124 127.637 120.500 0.021 0.000 2.090 122 R HA 0.007 4.347 4.340 0.001 0.000 0.228 122 R C 0.180 176.497 176.300 0.028 0.000 1.110 122 R CA 1.023 57.133 56.100 0.018 0.000 0.973 122 R CB 0.438 30.735 30.300 -0.004 0.000 0.869 122 R HN 0.773 nan 8.270 nan 0.000 0.440 123 R N -0.943 119.571 120.500 0.023 0.000 2.664 123 R HA 0.323 4.664 4.340 0.001 0.000 0.266 123 R C -1.927 174.373 176.300 -0.001 0.000 1.046 123 R CA -0.893 55.230 56.100 0.038 0.000 0.885 123 R CB 0.782 31.129 30.300 0.079 0.000 1.254 123 R HN 0.075 nan 8.270 nan 0.000 0.465 124 L N 3.013 124.240 121.223 0.007 0.000 2.372 124 L HA 0.509 4.850 4.340 0.001 0.000 0.273 124 L C -0.785 176.093 176.870 0.012 0.000 0.989 124 L CA -0.523 54.288 54.840 -0.049 0.000 0.841 124 L CB 1.256 43.287 42.059 -0.047 0.000 1.225 124 L HN 0.840 nan 8.230 nan 0.000 0.414 125 H N 3.960 123.028 119.070 -0.002 0.000 2.616 125 H HA 0.531 5.088 4.556 0.001 0.000 0.353 125 H C -0.828 174.529 175.328 0.049 0.000 1.170 125 H CA -1.131 54.924 56.048 0.011 0.000 1.212 125 H CB 1.799 31.569 29.762 0.012 0.000 1.653 125 H HN 0.466 nan 8.280 nan 0.000 0.537 126 I N 1.606 122.316 120.570 0.234 0.000 2.428 126 I HA 0.173 4.343 4.170 0.001 0.000 0.289 126 I C 0.215 176.587 176.117 0.425 0.000 1.019 126 I CA 0.055 61.514 61.300 0.266 0.000 1.351 126 I CB 0.982 39.164 38.000 0.304 0.000 1.412 126 I HN 0.749 nan 8.210 nan 0.000 0.513 127 E N 4.910 125.314 120.200 0.340 0.000 2.437 127 E HA 0.413 4.763 4.350 0.001 0.000 0.280 127 E C -1.681 175.063 176.600 0.240 0.000 1.044 127 E CA -1.095 55.525 56.400 0.367 0.000 0.826 127 E CB 1.546 31.486 29.700 0.401 0.000 1.358 127 E HN 0.643 nan 8.360 nan 0.000 0.459 128 E N 1.326 121.682 120.200 0.260 0.000 2.222 128 E HA 0.353 4.704 4.350 0.001 0.000 0.272 128 E C -0.923 175.768 176.600 0.152 0.000 0.982 128 E CA -0.856 55.649 56.400 0.176 0.000 0.842 128 E CB 1.456 31.314 29.700 0.264 0.000 1.144 128 E HN 0.400 nan 8.360 nan 0.000 0.397 129 D N 0.821 121.283 120.400 0.105 0.000 2.313 129 D HA 0.327 4.967 4.640 0.001 0.000 0.247 129 D C -0.365 175.981 176.300 0.077 0.000 1.094 129 D CA -0.191 53.859 54.000 0.085 0.000 0.925 129 D CB 1.522 42.363 40.800 0.069 0.000 1.188 129 D HN 0.597 nan 8.370 nan 0.000 0.430 130 A N 1.637 124.502 122.820 0.076 0.000 2.267 130 A HA 0.605 4.925 4.320 0.001 0.000 0.271 130 A C 0.798 178.418 177.584 0.061 0.000 1.131 130 A CA 0.203 52.284 52.037 0.073 0.000 0.818 130 A CB -0.065 19.004 19.000 0.115 0.000 1.118 130 A HN 0.523 nan 8.150 nan 0.000 0.501 131 G N -1.089 107.744 108.800 0.054 0.000 2.525 131 G HA2 0.497 4.457 3.960 0.001 0.000 0.287 131 G HA3 0.497 4.457 3.960 0.001 0.000 0.287 131 G C -0.293 174.641 174.900 0.056 0.000 1.350 131 G CA -0.471 44.654 45.100 0.041 0.000 1.039 131 G HN 0.809 nan 8.290 nan 0.000 0.513 132 K N -0.291 120.128 120.400 0.031 0.000 2.259 132 K HA 0.332 4.653 4.320 0.001 0.000 0.252 132 K C -1.065 175.526 176.600 -0.016 0.000 0.936 132 K CA -0.730 55.575 56.287 0.029 0.000 0.810 132 K CB 0.924 33.437 32.500 0.022 0.000 1.143 132 K HN 0.357 nan 8.250 nan 0.000 0.427 133 N N 3.169 121.852 118.700 -0.029 0.000 2.419 133 N HA 0.345 5.085 4.740 0.001 0.000 0.277 133 N C -1.004 174.311 175.510 -0.324 0.000 1.006 133 N CA -0.366 52.580 53.050 -0.173 0.000 0.923 133 N CB 0.950 39.334 38.487 -0.171 0.000 1.140 133 N HN 0.410 nan 8.380 nan 0.000 0.488 134 I N 2.338 122.706 120.570 -0.338 0.000 2.412 134 I HA 0.192 4.362 4.170 0.001 0.000 0.296 134 I C 0.171 176.026 176.117 -0.437 0.000 0.987 134 I CA -0.504 60.611 61.300 -0.309 0.000 1.180 134 I CB 0.875 38.800 38.000 -0.124 0.000 1.340 134 I HN 0.329 nan 8.210 nan 0.000 0.455 135 H N 5.062 124.139 119.070 0.011 0.000 2.459 135 H HA 0.498 5.055 4.556 0.001 0.000 0.332 135 H C -0.841 174.488 175.328 0.002 0.000 1.094 135 H CA -0.607 55.444 56.048 0.007 0.000 1.224 135 H CB 1.779 31.549 29.762 0.013 0.000 1.449 135 H HN 0.510 nan 8.280 nan 0.000 0.484 136 E N 2.281 122.534 120.200 0.089 0.000 2.528 136 E HA 0.371 4.722 4.350 0.001 0.000 0.277 136 E C 0.386 177.008 176.600 0.036 0.000 0.980 136 E CA -0.003 56.424 56.400 0.045 0.000 0.796 136 E CB 0.388 30.096 29.700 0.014 0.000 1.427 136 E HN 0.993 nan 8.360 nan 0.000 0.394 137 G N 4.124 112.945 108.800 0.036 0.000 2.514 137 G HA2 -0.340 3.620 3.960 0.001 0.000 0.265 137 G HA3 -0.340 3.620 3.960 0.001 0.000 0.265 137 G C 0.380 175.296 174.900 0.027 0.000 1.150 137 G CA 0.272 45.386 45.100 0.023 0.000 0.959 137 G HN 0.686 nan 8.290 nan 0.000 0.556 138 D N 1.354 121.765 120.400 0.018 0.000 2.342 138 D HA 0.295 4.935 4.640 0.001 0.000 0.221 138 D C 0.703 177.014 176.300 0.019 0.000 1.101 138 D CA 0.520 54.530 54.000 0.016 0.000 0.837 138 D CB 0.249 41.053 40.800 0.007 0.000 0.938 138 D HN 0.565 nan 8.370 nan 0.000 0.508 139 K N -0.691 119.723 120.400 0.024 0.000 2.340 139 K HA 0.533 4.854 4.320 0.001 0.000 0.244 139 K C -0.836 175.781 176.600 0.029 0.000 0.973 139 K CA -0.647 55.649 56.287 0.016 0.000 0.828 139 K CB 2.219 34.719 32.500 -0.000 0.000 1.226 139 K HN -0.215 nan 8.250 nan 0.000 0.437 140 T N 2.047 116.602 114.554 0.002 0.000 2.797 140 T HA 0.434 4.785 4.350 0.001 0.000 0.279 140 T C -1.017 173.633 174.700 -0.083 0.000 0.991 140 T CA -0.689 61.383 62.100 -0.046 0.000 0.979 140 T CB 0.562 69.404 68.868 -0.043 0.000 0.943 140 T HN 0.099 nan 8.240 nan 0.000 0.444 141 L N 3.715 124.868 121.223 -0.117 0.000 2.282 141 L HA 0.534 4.875 4.340 0.001 0.000 0.288 141 L C -0.311 176.494 176.870 -0.108 0.000 1.033 141 L CA -0.458 54.326 54.840 -0.093 0.000 0.807 141 L CB 1.535 43.548 42.059 -0.076 0.000 1.209 141 L HN 0.398 nan 8.230 nan 0.000 0.423 142 V N 2.353 122.218 119.914 -0.081 0.000 2.334 142 V HA 0.356 4.476 4.120 0.001 0.000 0.281 142 V C -0.584 175.478 176.094 -0.054 0.000 1.016 142 V CA -0.702 61.555 62.300 -0.071 0.000 0.832 142 V CB 1.555 33.338 31.823 -0.066 0.000 0.999 142 V HN 0.651 nan 8.190 nan 0.000 0.439 143 D N 4.575 124.946 120.400 -0.049 0.000 2.280 143 D HA 0.389 5.029 4.640 0.001 0.000 0.236 143 D C 0.194 176.478 176.300 -0.027 0.000 1.082 143 D CA -0.295 53.680 54.000 -0.040 0.000 0.834 143 D CB 1.721 42.492 40.800 -0.048 0.000 1.100 143 D HN 0.442 nan 8.370 nan 0.000 0.486 144 L N 3.887 125.096 121.223 -0.024 0.000 2.848 144 L HA 0.215 4.556 4.340 0.001 0.000 0.240 144 L C 1.446 178.310 176.870 -0.010 0.000 1.232 144 L CA -0.351 54.481 54.840 -0.014 0.000 1.031 144 L CB -0.200 41.848 42.059 -0.019 0.000 1.338 144 L HN 0.267 nan 8.230 nan 0.000 0.509 145 N N 1.166 119.857 118.700 -0.015 0.000 2.205 145 N HA -0.197 4.543 4.740 0.001 0.000 0.186 145 N C 1.887 177.400 175.510 0.004 0.000 1.015 145 N CA 1.197 54.240 53.050 -0.012 0.000 0.862 145 N CB 0.006 38.477 38.487 -0.027 0.000 0.986 145 N HN 0.402 nan 8.380 nan 0.000 0.429 146 R N 0.408 120.916 120.500 0.013 0.000 2.265 146 R HA 0.297 4.638 4.340 0.001 0.000 0.194 146 R C 0.127 176.448 176.300 0.035 0.000 0.931 146 R CA 0.004 56.123 56.100 0.033 0.000 1.032 146 R CB 0.155 30.484 30.300 0.047 0.000 0.980 146 R HN 0.007 nan 8.270 nan 0.000 0.497 147 A N 0.814 123.650 122.820 0.026 0.000 2.561 147 A HA 0.341 4.662 4.320 0.001 0.000 0.251 147 A C 1.014 178.618 177.584 0.034 0.000 1.062 147 A CA 0.911 52.964 52.037 0.027 0.000 0.761 147 A CB -0.582 18.422 19.000 0.006 0.000 0.986 147 A HN 0.687 nan 8.150 nan 0.000 0.510 148 G N 2.504 111.338 108.800 0.057 0.000 2.132 148 G HA2 -0.181 3.779 3.960 0.001 0.000 0.234 148 G HA3 -0.181 3.779 3.960 0.001 0.000 0.234 148 G C 0.295 175.211 174.900 0.027 0.000 0.989 148 G CA 0.323 45.470 45.100 0.077 0.000 0.676 148 G HN 1.194 nan 8.290 nan 0.000 0.522 149 T N 2.634 117.205 114.554 0.030 0.000 2.869 149 T HA 0.504 4.854 4.350 0.001 0.000 0.295 149 T C -2.269 172.436 174.700 0.008 0.000 0.987 149 T CA -0.738 61.370 62.100 0.014 0.000 1.109 149 T CB 1.796 70.687 68.868 0.038 0.000 0.932 149 T HN 0.097 nan 8.240 nan 0.000 0.518 150 P HA 0.312 nan 4.420 nan 0.000 0.271 150 P C -0.827 176.496 177.300 0.039 0.000 1.226 150 P CA -0.140 62.944 63.100 -0.028 0.000 0.765 150 P CB 0.359 32.020 31.700 -0.066 0.000 0.835 151 L N 3.094 124.363 121.223 0.076 0.000 2.341 151 L HA 0.571 4.912 4.340 0.001 0.000 0.267 151 L C 0.283 177.206 176.870 0.089 0.000 1.009 151 L CA -0.947 53.957 54.840 0.107 0.000 0.819 151 L CB 1.866 44.027 42.059 0.169 0.000 1.323 151 L HN 0.185 nan 8.230 nan 0.000 0.425 152 M N 2.040 121.669 119.600 0.048 0.000 2.101 152 M HA 0.285 4.766 4.480 0.001 0.000 0.340 152 M C -0.314 175.904 176.300 -0.136 0.000 1.057 152 M CA -0.196 55.087 55.300 -0.028 0.000 0.984 152 M CB 1.550 34.136 32.600 -0.023 0.000 1.560 152 M HN 0.488 nan 8.290 nan 0.000 0.435 153 E N 4.387 124.392 120.200 -0.324 0.000 2.259 153 E HA 0.435 4.786 4.350 0.001 0.000 0.281 153 E C -1.363 174.952 176.600 -0.476 0.000 1.027 153 E CA -0.261 55.784 56.400 -0.591 0.000 0.838 153 E CB 0.928 30.136 29.700 -0.820 0.000 1.066 153 E HN 0.631 nan 8.360 nan 0.000 0.401 154 I N 5.113 125.479 120.570 -0.340 0.000 2.439 154 I HA 0.249 4.419 4.170 0.001 0.000 0.285 154 I C -0.942 175.107 176.117 -0.113 0.000 1.021 154 I CA -0.950 60.252 61.300 -0.165 0.000 1.091 154 I CB 1.804 39.760 38.000 -0.072 0.000 1.242 154 I HN 0.294 nan 8.210 nan 0.000 0.439 155 V N 4.808 124.678 119.914 -0.075 0.000 2.513 155 V HA 0.470 4.591 4.120 0.001 0.000 0.299 155 V C 0.225 176.297 176.094 -0.036 0.000 1.035 155 V CA -0.400 61.871 62.300 -0.049 0.000 0.889 155 V CB 2.047 33.855 31.823 -0.026 0.000 0.988 155 V HN 0.673 nan 8.190 nan 0.000 0.440 156 T N 3.372 117.883 114.554 -0.071 0.000 2.929 156 T HA 0.373 4.723 4.350 0.001 0.000 0.284 156 T C -0.164 174.477 174.700 -0.098 0.000 1.014 156 T CA -0.517 61.510 62.100 -0.121 0.000 1.051 156 T CB 1.252 69.950 68.868 -0.284 0.000 1.028 156 T HN 0.649 nan 8.240 nan 0.000 0.485 157 E N 2.611 122.763 120.200 -0.080 0.000 2.374 157 E HA 0.179 4.530 4.350 0.001 0.000 0.260 157 E C -2.097 174.460 176.600 -0.072 0.000 1.101 157 E CA -2.250 54.112 56.400 -0.062 0.000 0.907 157 E CB 0.406 30.090 29.700 -0.026 0.000 1.014 157 E HN 0.278 nan 8.360 nan 0.000 0.427 158 P HA 0.106 nan 4.420 nan 0.000 0.232 158 P C -0.341 176.976 177.300 0.027 0.000 1.738 158 P CA 0.193 63.291 63.100 -0.002 0.000 0.948 158 P CB -0.085 31.650 31.700 0.059 0.000 1.943 159 D N -0.270 120.109 120.400 -0.036 0.000 2.333 159 D HA 0.063 4.703 4.640 0.001 0.000 0.208 159 D C 1.011 177.282 176.300 -0.049 0.000 0.984 159 D CA 0.379 54.362 54.000 -0.028 0.000 0.873 159 D CB 0.079 40.856 40.800 -0.039 0.000 0.935 159 D HN 0.311 nan 8.370 nan 0.000 0.521 160 I N 1.211 121.726 120.570 -0.090 0.000 2.588 160 I HA 0.048 4.218 4.170 0.001 0.000 0.283 160 I C 1.508 177.599 176.117 -0.043 0.000 1.119 160 I CA 0.039 61.287 61.300 -0.086 0.000 1.419 160 I CB 0.972 38.886 38.000 -0.143 0.000 1.394 160 I HN -0.272 nan 8.210 nan 0.000 0.562 161 R N 2.650 123.132 120.500 -0.030 0.000 2.419 161 R HA 0.297 4.638 4.340 0.001 0.000 0.235 161 R C -0.306 175.986 176.300 -0.014 0.000 0.899 161 R CA 0.229 56.319 56.100 -0.017 0.000 1.048 161 R CB 0.825 31.116 30.300 -0.015 0.000 1.182 161 R HN 0.557 nan 8.270 nan 0.000 0.544 162 T N 0.640 115.185 114.554 -0.016 0.000 2.956 162 T HA 0.267 4.618 4.350 0.001 0.000 0.312 162 T C -2.322 172.371 174.700 -0.011 0.000 1.151 162 T CA -1.232 60.862 62.100 -0.010 0.000 1.024 162 T CB 2.743 71.608 68.868 -0.005 0.000 1.140 162 T HN -0.251 nan 8.240 nan 0.000 0.473 163 P HA -0.124 nan 4.420 nan 0.000 0.216 163 P C 1.298 178.597 177.300 -0.002 0.000 1.153 163 P CA 1.009 64.105 63.100 -0.007 0.000 0.858 163 P CB 0.373 32.073 31.700 0.001 0.000 0.789 164 E N -0.031 120.170 120.200 0.002 0.000 2.072 164 E HA -0.218 4.132 4.350 0.001 0.000 0.191 164 E C 1.898 178.497 176.600 -0.001 0.000 0.985 164 E CA 1.015 57.416 56.400 0.003 0.000 0.801 164 E CB -0.211 29.492 29.700 0.005 0.000 0.750 164 E HN 0.260 nan 8.360 nan 0.000 0.452 165 E N 0.042 120.242 120.200 0.000 0.000 2.085 165 E HA -0.215 4.136 4.350 0.001 0.000 0.194 165 E C 1.988 178.603 176.600 0.025 0.000 0.994 165 E CA 0.919 57.324 56.400 0.009 0.000 0.801 165 E CB -0.124 29.576 29.700 0.000 0.000 0.743 165 E HN 0.345 nan 8.360 nan 0.000 0.453 166 A N 1.536 124.358 122.820 0.004 0.000 1.865 166 A HA -0.266 4.055 4.320 0.001 0.000 0.217 166 A C 2.109 179.701 177.584 0.013 0.000 1.191 166 A CA 1.851 53.893 52.037 0.009 0.000 0.623 166 A CB -0.567 18.425 19.000 -0.014 0.000 0.826 166 A HN 0.135 nan 8.150 nan 0.000 0.444 167 R N -0.510 119.975 120.500 -0.026 0.000 2.073 167 R HA -0.065 4.276 4.340 0.001 0.000 0.234 167 R C 2.066 178.271 176.300 -0.159 0.000 1.134 167 R CA 1.614 57.657 56.100 -0.095 0.000 0.952 167 R CB -0.432 29.853 30.300 -0.025 0.000 0.850 167 R HN 0.497 nan 8.270 nan 0.000 0.433 168 L N 0.178 121.358 121.223 -0.071 0.000 2.083 168 L HA -0.183 4.158 4.340 0.001 0.000 0.209 168 L C 2.343 179.154 176.870 -0.098 0.000 1.083 168 L CA 1.236 56.029 54.840 -0.079 0.000 0.752 168 L CB -0.461 41.579 42.059 -0.032 0.000 0.899 168 L HN 0.223 nan 8.230 nan 0.000 0.433 169 F N 0.465 120.315 119.950 -0.166 0.000 2.069 169 F HA -0.269 4.258 4.527 0.001 0.000 0.298 169 F C 2.191 177.846 175.800 -0.242 0.000 1.113 169 F CA 1.676 59.578 58.000 -0.163 0.000 1.214 169 F CB -0.276 38.652 39.000 -0.120 0.000 0.978 169 F HN -0.135 nan 8.300 nan 0.000 0.474 170 L N 0.101 121.131 121.223 -0.322 0.000 2.042 170 L HA -0.255 4.085 4.340 0.001 0.000 0.210 170 L C 2.439 178.777 176.870 -0.887 0.000 1.076 170 L CA 1.904 56.340 54.840 -0.673 0.000 0.749 170 L CB -0.750 40.766 42.059 -0.905 0.000 0.893 170 L HN 0.216 nan 8.230 nan 0.000 0.432 171 E N -0.308 119.445 120.200 -0.746 0.000 2.106 171 E HA -0.265 4.085 4.350 0.001 0.000 0.192 171 E C 2.116 178.567 176.600 -0.248 0.000 0.984 171 E CA 1.204 57.365 56.400 -0.399 0.000 0.806 171 E CB 0.112 29.688 29.700 -0.208 0.000 0.750 171 E HN 0.235 nan 8.360 nan 0.000 0.458 172 K N 0.487 120.695 120.400 -0.319 0.000 2.076 172 K HA -0.104 4.216 4.320 0.001 0.000 0.204 172 K C 1.975 178.373 176.600 -0.337 0.000 1.051 172 K CA 0.444 56.560 56.287 -0.285 0.000 0.949 172 K CB -0.188 32.149 32.500 -0.271 0.000 0.726 172 K HN 0.003 nan 8.250 nan 0.000 0.443 173 L N 1.831 122.736 121.223 -0.531 0.000 1.990 173 L HA -0.197 4.143 4.340 0.001 0.000 0.213 173 L C 2.320 179.059 176.870 -0.218 0.000 1.072 173 L CA 2.003 56.570 54.840 -0.455 0.000 0.755 173 L CB -0.851 40.849 42.059 -0.598 0.000 0.889 173 L HN 0.264 nan 8.230 nan 0.000 0.432 174 R N -0.676 119.736 120.500 -0.147 0.000 2.115 174 R HA -0.273 4.068 4.340 0.001 0.000 0.239 174 R C 2.263 178.567 176.300 0.007 0.000 1.133 174 R CA 2.191 58.297 56.100 0.010 0.000 0.935 174 R CB -0.529 29.875 30.300 0.173 0.000 0.853 174 R HN 0.494 nan 8.270 nan 0.000 0.433 175 N N 0.272 118.969 118.700 -0.005 0.000 2.188 175 N HA -0.098 4.643 4.740 0.001 0.000 0.184 175 N C 1.746 177.320 175.510 0.108 0.000 1.018 175 N CA 1.387 54.488 53.050 0.085 0.000 0.858 175 N CB -0.103 38.412 38.487 0.047 0.000 0.989 175 N HN 0.296 nan 8.380 nan 0.000 0.426 176 I N 0.040 120.579 120.570 -0.052 0.000 2.142 176 I HA -0.287 3.884 4.170 0.001 0.000 0.240 176 I C 2.119 178.227 176.117 -0.015 0.000 1.078 176 I CA 0.855 62.114 61.300 -0.069 0.000 1.343 176 I CB -0.274 37.634 38.000 -0.154 0.000 1.046 176 I HN 0.132 nan 8.210 nan 0.000 0.405 177 M N 0.322 119.897 119.600 -0.041 0.000 2.082 177 M HA -0.232 4.249 4.480 0.001 0.000 0.258 177 M C 2.436 178.723 176.300 -0.021 0.000 1.069 177 M CA 1.879 57.154 55.300 -0.042 0.000 1.102 177 M CB -1.391 31.188 32.600 -0.034 0.000 1.336 177 M HN 0.211 nan 8.290 nan 0.000 0.404 178 R N -1.364 119.151 120.500 0.025 0.000 2.081 178 R HA -0.162 4.179 4.340 0.001 0.000 0.235 178 R C 2.229 178.522 176.300 -0.011 0.000 1.131 178 R CA 1.454 57.557 56.100 0.005 0.000 0.960 178 R CB -0.442 29.866 30.300 0.014 0.000 0.856 178 R HN 0.323 nan 8.270 nan 0.000 0.436 179 Y N 0.395 120.659 120.300 -0.060 0.000 2.200 179 Y HA -0.167 4.384 4.550 0.001 0.000 0.290 179 Y C 2.487 178.339 175.900 -0.081 0.000 1.137 179 Y CA 1.317 59.385 58.100 -0.054 0.000 1.163 179 Y CB -0.419 38.013 38.460 -0.046 0.000 0.988 179 Y HN 0.123 nan 8.280 nan 0.000 0.518 180 A N -0.409 122.439 122.820 0.046 0.000 1.978 180 A HA 0.058 4.378 4.320 0.001 0.000 0.220 180 A C 2.108 179.598 177.584 -0.157 0.000 1.170 180 A CA 1.649 53.643 52.037 -0.070 0.000 0.636 180 A CB -1.289 17.643 19.000 -0.113 0.000 0.810 180 A HN 0.765 nan 8.150 nan 0.000 0.448 181 G N -2.099 106.604 108.800 -0.161 0.000 2.132 181 G HA2 -0.182 3.779 3.960 0.001 0.000 0.228 181 G HA3 -0.182 3.779 3.960 0.001 0.000 0.228 181 G C 0.882 175.547 174.900 -0.392 0.000 1.000 181 G CA 0.840 45.813 45.100 -0.211 0.000 0.693 181 G HN 1.618 nan 8.290 nan 0.000 0.515 182 V N -3.612 116.084 119.914 -0.365 0.000 2.949 182 V HA 0.681 4.802 4.120 0.001 0.000 0.245 182 V C 0.947 177.009 176.094 -0.055 0.000 1.086 182 V CA 1.556 63.578 62.300 -0.463 0.000 1.097 182 V CB 0.898 32.531 31.823 -0.317 0.000 0.762 182 V HN 1.402 nan 8.190 nan 0.000 0.470 183 S N -1.127 114.552 115.700 -0.037 0.000 2.550 183 S HA 0.468 4.939 4.470 0.001 0.000 0.270 183 S C 0.207 174.806 174.600 -0.002 0.000 1.145 183 S CA -0.697 57.517 58.200 0.022 0.000 0.852 183 S CB 2.043 65.260 63.200 0.030 0.000 1.119 183 S HN 0.130 nan 8.310 nan 0.000 0.465 184 K N 2.088 122.489 120.400 0.002 0.000 2.155 184 K HA 0.208 4.529 4.320 0.001 0.000 0.203 184 K C 1.414 178.000 176.600 -0.023 0.000 1.052 184 K CA 1.149 57.423 56.287 -0.021 0.000 0.948 184 K CB -0.944 31.535 32.500 -0.035 0.000 0.728 184 K HN 1.399 nan 8.250 nan 0.000 0.448 185 A N 1.854 124.668 122.820 -0.009 0.000 2.826 185 A HA -0.173 4.148 4.320 0.001 0.000 0.274 185 A C -0.578 176.999 177.584 -0.012 0.000 1.443 185 A CA 1.024 53.069 52.037 0.012 0.000 0.833 185 A CB -1.928 17.093 19.000 0.035 0.000 1.023 185 A HN 0.292 nan 8.150 nan 0.000 0.600 186 D N -0.082 120.275 120.400 -0.073 0.000 2.295 186 D HA 0.411 5.051 4.640 0.001 0.000 0.248 186 D C 1.563 177.768 176.300 -0.158 0.000 1.154 186 D CA -0.284 53.627 54.000 -0.148 0.000 0.857 186 D CB 0.758 41.462 40.800 -0.161 0.000 1.117 186 D HN 0.454 nan 8.370 nan 0.000 0.468 187 M N 1.006 120.465 119.600 -0.235 0.000 2.202 187 M HA -0.172 4.308 4.480 0.001 0.000 0.262 187 M C 1.848 178.077 176.300 -0.118 0.000 1.063 187 M CA 1.255 56.457 55.300 -0.163 0.000 1.097 187 M CB -0.077 32.380 32.600 -0.239 0.000 1.382 187 M HN 0.481 nan 8.290 nan 0.000 0.413 188 E N 1.251 121.355 120.200 -0.160 0.000 2.097 188 E HA -0.224 4.127 4.350 0.001 0.000 0.196 188 E C 1.089 177.606 176.600 -0.138 0.000 1.000 188 E CA 1.369 57.695 56.400 -0.123 0.000 0.804 188 E CB 0.073 29.687 29.700 -0.143 0.000 0.740 188 E HN 0.547 nan 8.360 nan 0.000 0.454 189 K N -1.011 119.249 120.400 -0.234 0.000 2.437 189 K HA 0.176 4.496 4.320 0.001 0.000 0.198 189 K C 0.872 177.371 176.600 -0.169 0.000 1.024 189 K CA 0.454 56.488 56.287 -0.422 0.000 1.148 189 K CB 0.723 32.840 32.500 -0.638 0.000 0.860 189 K HN 0.210 nan 8.250 nan 0.000 0.515 190 G N 2.329 111.104 108.800 -0.042 0.000 2.179 190 G HA2 -0.339 3.621 3.960 0.001 0.000 0.257 190 G HA3 -0.339 3.621 3.960 0.001 0.000 0.257 190 G C 0.493 175.414 174.900 0.035 0.000 1.010 190 G CA 0.391 45.514 45.100 0.038 0.000 0.736 190 G HN 0.496 nan 8.290 nan 0.000 0.513 191 Q N -1.227 118.569 119.800 -0.006 0.000 2.444 191 Q HA 0.502 4.842 4.340 0.001 0.000 0.206 191 Q C 0.755 176.783 176.000 0.045 0.000 0.948 191 Q CA 0.545 56.357 55.803 0.016 0.000 0.946 191 Q CB 0.688 29.414 28.738 -0.020 0.000 1.027 191 Q HN 0.631 nan 8.270 nan 0.000 0.513 192 L N 0.503 121.760 121.223 0.057 0.000 2.661 192 L HA 0.401 4.742 4.340 0.001 0.000 0.263 192 L C -1.454 175.489 176.870 0.121 0.000 0.956 192 L CA -0.407 54.494 54.840 0.101 0.000 0.918 192 L CB 1.392 43.522 42.059 0.117 0.000 1.280 192 L HN -0.075 nan 8.230 nan 0.000 0.416 193 R N 2.840 123.432 120.500 0.153 0.000 2.720 193 R HA 0.780 5.121 4.340 0.001 0.000 0.272 193 R C -1.355 175.062 176.300 0.196 0.000 0.991 193 R CA -0.656 55.541 56.100 0.161 0.000 1.010 193 R CB 2.161 32.544 30.300 0.137 0.000 1.141 193 R HN 0.631 nan 8.270 nan 0.000 0.494 194 C N 1.688 121.097 119.300 0.181 0.000 2.716 194 C HA 0.366 4.827 4.460 0.001 0.000 0.366 194 C C -1.631 173.441 174.990 0.138 0.000 1.073 194 C CA -0.762 58.358 59.018 0.170 0.000 1.260 194 C CB 0.729 28.575 27.740 0.176 0.000 1.755 194 C HN 0.751 nan 8.230 nan 0.000 0.475 195 D N 4.660 125.137 120.400 0.129 0.000 2.175 195 D HA 0.606 5.247 4.640 0.001 0.000 0.248 195 D C -0.220 176.117 176.300 0.062 0.000 1.047 195 D CA 0.086 54.142 54.000 0.095 0.000 0.883 195 D CB 1.669 42.531 40.800 0.102 0.000 1.180 195 D HN 0.618 nan 8.370 nan 0.000 0.438 196 I N 1.662 122.257 120.570 0.042 0.000 2.474 196 I HA 0.259 4.429 4.170 0.001 0.000 0.294 196 I C -0.098 176.026 176.117 0.011 0.000 1.005 196 I CA -0.791 60.519 61.300 0.016 0.000 1.113 196 I CB 1.350 39.351 38.000 0.001 0.000 1.289 196 I HN 0.010 nan 8.210 nan 0.000 0.436 197 N N 5.470 124.169 118.700 -0.003 0.000 2.346 197 N HA 0.556 5.296 4.740 0.001 0.000 0.289 197 N C -1.554 173.952 175.510 -0.006 0.000 1.027 197 N CA -0.390 52.659 53.050 -0.002 0.000 0.864 197 N CB 3.253 41.737 38.487 -0.006 0.000 1.370 197 N HN 0.284 nan 8.380 nan 0.000 0.481 198 V N 1.425 121.340 119.914 0.001 0.000 2.711 198 V HA 0.595 4.716 4.120 0.001 0.000 0.304 198 V C -0.948 175.151 176.094 0.009 0.000 1.097 198 V CA -0.371 61.929 62.300 0.000 0.000 0.906 198 V CB 1.732 33.545 31.823 -0.016 0.000 1.015 198 V HN 0.836 nan 8.190 nan 0.000 0.427 199 S N 6.888 122.606 115.700 0.029 0.000 2.634 199 S HA 0.851 5.321 4.470 0.001 0.000 0.296 199 S C -0.522 174.091 174.600 0.021 0.000 1.104 199 S CA -0.741 57.480 58.200 0.036 0.000 0.920 199 S CB 1.998 65.253 63.200 0.092 0.000 1.111 199 S HN 1.390 nan 8.310 nan 0.000 0.493 200 I N -1.292 119.278 120.570 0.001 0.000 2.910 200 I HA 0.864 5.035 4.170 0.001 0.000 0.310 200 I C -0.551 175.601 176.117 0.059 0.000 1.043 200 I CA -1.187 60.114 61.300 0.001 0.000 1.053 200 I CB 1.983 39.921 38.000 -0.104 0.000 1.242 200 I HN 0.887 nan 8.210 nan 0.000 0.452 201 R N 3.526 124.112 120.500 0.143 0.000 2.561 201 R HA 0.485 4.825 4.340 0.001 0.000 0.266 201 R C -3.020 173.390 176.300 0.183 0.000 1.091 201 R CA -1.475 54.698 56.100 0.120 0.000 0.927 201 R CB 2.431 32.721 30.300 -0.018 0.000 1.240 201 R HN 0.401 nan 8.270 nan 0.000 0.449 202 P HA -0.088 nan 4.420 nan 0.000 0.262 202 P C -0.847 176.375 177.300 -0.130 0.000 1.182 202 P CA 0.065 63.066 63.100 -0.165 0.000 0.761 202 P CB 0.465 32.079 31.700 -0.144 0.000 0.795 203 K N 2.945 123.246 120.400 -0.165 0.000 2.550 203 K HA -0.032 4.289 4.320 0.001 0.000 0.280 203 K C 1.584 178.125 176.600 -0.098 0.000 0.987 203 K CA 1.684 57.907 56.287 -0.106 0.000 1.048 203 K CB -0.507 31.930 32.500 -0.106 0.000 0.879 203 K HN 0.817 nan 8.250 nan 0.000 0.491 204 G N 2.085 110.835 108.800 -0.085 0.000 2.245 204 G HA2 -0.323 3.637 3.960 0.001 0.000 0.264 204 G HA3 -0.323 3.637 3.960 0.001 0.000 0.264 204 G C 0.310 175.155 174.900 -0.093 0.000 0.985 204 G CA 0.885 45.936 45.100 -0.082 0.000 0.625 204 G HN 0.772 nan 8.290 nan 0.000 0.536 205 S N -0.207 115.430 115.700 -0.104 0.000 2.573 205 S HA 0.481 4.951 4.470 0.001 0.000 0.277 205 S C 1.306 175.808 174.600 -0.164 0.000 1.346 205 S CA 1.058 59.189 58.200 -0.114 0.000 1.034 205 S CB 0.951 64.090 63.200 -0.103 0.000 0.879 205 S HN 0.428 nan 8.310 nan 0.000 0.528 206 K N 0.804 121.106 120.400 -0.164 0.000 2.360 206 K HA 0.223 4.543 4.320 0.001 0.000 0.196 206 K C 0.296 176.714 176.600 -0.304 0.000 1.049 206 K CA -0.137 56.020 56.287 -0.217 0.000 1.049 206 K CB 0.280 32.710 32.500 -0.116 0.000 0.881 206 K HN 0.590 nan 8.250 nan 0.000 0.542 207 E N 0.206 120.277 120.200 -0.216 0.000 2.391 207 E HA 0.145 4.495 4.350 0.001 0.000 0.255 207 E C -1.037 175.368 176.600 -0.325 0.000 1.187 207 E CA 0.015 56.326 56.400 -0.149 0.000 0.941 207 E CB 0.406 30.087 29.700 -0.033 0.000 1.010 207 E HN -0.104 nan 8.360 nan 0.000 0.458 208 F N 0.684 120.638 119.950 0.006 0.000 2.458 208 F HA 0.506 5.033 4.527 0.001 0.000 0.336 208 F C 0.968 176.774 175.800 0.010 0.000 1.114 208 F CA -0.357 57.647 58.000 0.006 0.000 0.987 208 F CB 1.931 40.933 39.000 0.002 0.000 1.130 208 F HN 0.490 nan 8.300 nan 0.000 0.458 209 G N 0.679 109.576 108.800 0.162 0.000 2.616 209 G HA2 0.430 4.390 3.960 0.001 0.000 0.268 209 G HA3 0.430 4.390 3.960 0.001 0.000 0.268 209 G C -0.309 174.654 174.900 0.105 0.000 1.213 209 G CA -0.619 44.542 45.100 0.103 0.000 0.926 209 G HN 0.649 nan 8.290 nan 0.000 0.523 210 T N -1.861 112.730 114.554 0.061 0.000 2.919 210 T HA 0.356 4.706 4.350 0.001 0.000 0.302 210 T C 0.305 175.027 174.700 0.036 0.000 1.031 210 T CA -0.475 61.653 62.100 0.046 0.000 1.127 210 T CB 1.249 70.134 68.868 0.029 0.000 0.952 210 T HN 0.563 nan 8.240 nan 0.000 0.540 211 R N 1.817 122.336 120.500 0.031 0.000 2.265 211 R HA 0.566 4.907 4.340 0.001 0.000 0.319 211 R C -1.315 174.995 176.300 0.017 0.000 1.006 211 R CA -0.670 55.444 56.100 0.024 0.000 0.880 211 R CB 0.899 31.209 30.300 0.017 0.000 1.077 211 R HN 0.610 nan 8.270 nan 0.000 0.454 212 V N 3.818 123.740 119.914 0.013 0.000 2.513 212 V HA 0.292 4.412 4.120 0.001 0.000 0.299 212 V C -0.204 175.900 176.094 0.018 0.000 1.035 212 V CA -0.645 61.664 62.300 0.015 0.000 0.889 212 V CB 1.677 33.505 31.823 0.007 0.000 0.988 212 V HN 0.780 nan 8.190 nan 0.000 0.440 213 E N 3.761 123.977 120.200 0.026 0.000 2.166 213 E HA 0.593 4.944 4.350 0.001 0.000 0.275 213 E C -1.433 175.191 176.600 0.039 0.000 0.941 213 E CA -0.623 55.795 56.400 0.031 0.000 0.784 213 E CB 1.544 31.266 29.700 0.036 0.000 1.115 213 E HN 0.590 nan 8.360 nan 0.000 0.399 214 I N 4.213 124.806 120.570 0.039 0.000 2.378 214 I HA 0.350 4.520 4.170 0.001 0.000 0.291 214 I C 0.101 176.255 176.117 0.061 0.000 0.992 214 I CA -0.686 60.645 61.300 0.052 0.000 1.154 214 I CB 1.377 39.399 38.000 0.036 0.000 1.315 214 I HN 0.171 nan 8.210 nan 0.000 0.448 215 K N 4.134 124.580 120.400 0.078 0.000 2.208 215 K HA 0.429 4.749 4.320 0.001 0.000 0.247 215 K C -0.523 176.135 176.600 0.097 0.000 0.953 215 K CA -1.052 55.282 56.287 0.078 0.000 0.837 215 K CB 1.539 34.077 32.500 0.063 0.000 1.131 215 K HN 0.528 nan 8.250 nan 0.000 0.431 216 N N 0.039 118.797 118.700 0.096 0.000 2.614 216 N HA -0.168 4.573 4.740 0.001 0.000 0.276 216 N C -1.281 174.314 175.510 0.142 0.000 1.119 216 N CA 0.366 53.482 53.050 0.110 0.000 0.742 216 N CB -0.869 37.676 38.487 0.097 0.000 0.900 216 N HN 0.185 nan 8.380 nan 0.000 0.549 217 V N 0.133 120.136 119.914 0.148 0.000 2.581 217 V HA 0.440 4.561 4.120 0.001 0.000 0.303 217 V C 0.833 177.062 176.094 0.225 0.000 1.041 217 V CA -0.659 61.757 62.300 0.193 0.000 0.907 217 V CB 2.253 34.137 31.823 0.102 0.000 0.994 217 V HN 0.430 nan 8.190 nan 0.000 0.442 218 N N 0.650 119.546 118.700 0.327 0.000 2.239 218 N HA 0.112 4.852 4.740 0.001 0.000 0.208 218 N C 0.259 175.912 175.510 0.238 0.000 1.200 218 N CA 0.332 53.547 53.050 0.275 0.000 0.895 218 N CB 0.826 39.476 38.487 0.272 0.000 1.085 218 N HN 0.822 nan 8.380 nan 0.000 0.500 219 S N -1.386 114.500 115.700 0.310 0.000 2.634 219 S HA 0.413 4.883 4.470 0.001 0.000 0.296 219 S C 0.227 174.905 174.600 0.130 0.000 1.104 219 S CA -0.668 57.535 58.200 0.005 0.000 0.920 219 S CB 0.673 63.713 63.200 -0.268 0.000 1.111 219 S HN -0.129 nan 8.310 nan 0.000 0.493 220 F N 1.258 121.193 119.950 -0.025 0.000 2.126 220 F HA 0.044 4.571 4.527 0.001 0.000 0.299 220 F C 2.683 178.464 175.800 -0.032 0.000 1.096 220 F CA 0.948 58.938 58.000 -0.017 0.000 1.255 220 F CB -0.913 38.067 39.000 -0.033 0.000 0.997 220 F HN 0.510 nan 8.300 nan 0.000 0.479 221 R N -0.413 120.136 120.500 0.081 0.000 2.081 221 R HA -0.140 4.201 4.340 0.001 0.000 0.235 221 R C 2.206 178.547 176.300 0.068 0.000 1.131 221 R CA 1.019 57.112 56.100 -0.011 0.000 0.960 221 R CB -1.293 28.906 30.300 -0.168 0.000 0.856 221 R HN 0.210 nan 8.270 nan 0.000 0.436 222 F N 0.595 120.599 119.950 0.089 0.000 2.216 222 F HA -0.157 4.371 4.527 0.001 0.000 0.300 222 F C 2.428 178.103 175.800 -0.207 0.000 1.085 222 F CA 1.010 59.042 58.000 0.053 0.000 1.326 222 F CB -1.203 37.915 39.000 0.196 0.000 1.027 222 F HN -0.126 nan 8.300 nan 0.000 0.497 223 V N -1.355 118.615 119.914 0.093 0.000 2.427 223 V HA -0.265 3.855 4.120 0.001 0.000 0.248 223 V C 2.128 178.184 176.094 -0.063 0.000 1.051 223 V CA 1.881 64.165 62.300 -0.027 0.000 1.048 223 V CB -1.265 30.595 31.823 0.063 0.000 0.666 223 V HN 0.388 nan 8.190 nan 0.000 0.456 224 Q N 0.070 119.871 119.800 0.002 0.000 2.061 224 Q HA -0.210 4.131 4.340 0.001 0.000 0.204 224 Q C 2.372 178.366 176.000 -0.010 0.000 0.984 224 Q CA 1.925 57.730 55.803 0.003 0.000 0.846 224 Q CB -0.097 28.661 28.738 0.034 0.000 0.902 224 Q HN 0.537 nan 8.270 nan 0.000 0.421 225 K N 0.125 120.526 120.400 0.001 0.000 2.001 225 K HA -0.067 4.253 4.320 0.001 0.000 0.208 225 K C 2.077 178.628 176.600 -0.083 0.000 1.048 225 K CA 1.147 57.465 56.287 0.052 0.000 0.932 225 K CB -0.705 31.957 32.500 0.271 0.000 0.715 225 K HN 0.323 nan 8.250 nan 0.000 0.437 226 A N 1.781 124.249 122.820 -0.587 0.000 1.884 226 A HA -0.201 4.119 4.320 0.001 0.000 0.219 226 A C 2.411 179.906 177.584 -0.148 0.000 1.197 226 A CA 1.671 53.308 52.037 -0.667 0.000 0.637 226 A CB -0.869 17.539 19.000 -0.986 0.000 0.827 226 A HN 0.218 nan 8.150 nan 0.000 0.450 227 L N -1.369 119.775 121.223 -0.130 0.000 1.994 227 L HA -0.223 4.117 4.340 0.001 0.000 0.208 227 L C 2.673 179.535 176.870 -0.014 0.000 1.071 227 L CA 1.864 56.671 54.840 -0.055 0.000 0.745 227 L CB -0.598 41.432 42.059 -0.049 0.000 0.892 227 L HN 0.511 nan 8.230 nan 0.000 0.431 228 E N -0.801 119.407 120.200 0.014 0.000 2.108 228 E HA -0.335 4.015 4.350 0.001 0.000 0.203 228 E C 1.998 178.639 176.600 0.068 0.000 1.022 228 E CA 2.260 58.688 56.400 0.046 0.000 0.823 228 E CB -0.245 29.500 29.700 0.076 0.000 0.744 228 E HN 0.463 nan 8.360 nan 0.000 0.456 229 Y N 0.788 121.088 120.300 0.001 0.000 2.184 229 Y HA -0.208 4.342 4.550 0.001 0.000 0.290 229 Y C 2.326 178.218 175.900 -0.014 0.000 1.129 229 Y CA 1.820 59.925 58.100 0.009 0.000 1.144 229 Y CB 0.015 38.503 38.460 0.045 0.000 0.995 229 Y HN -0.011 nan 8.280 nan 0.000 0.513 230 E N 0.915 121.040 120.200 -0.126 0.000 2.058 230 E HA -0.229 4.122 4.350 0.001 0.000 0.194 230 E C 1.959 178.421 176.600 -0.231 0.000 0.997 230 E CA 2.273 58.551 56.400 -0.204 0.000 0.801 230 E CB -0.643 29.023 29.700 -0.057 0.000 0.746 230 E HN 0.652 nan 8.360 nan 0.000 0.450 231 I N 0.432 120.912 120.570 -0.150 0.000 2.151 231 I HA -0.309 3.862 4.170 0.001 0.000 0.243 231 I C 2.520 178.531 176.117 -0.178 0.000 1.080 231 I CA 1.779 62.999 61.300 -0.133 0.000 1.339 231 I CB -0.431 37.524 38.000 -0.075 0.000 1.039 231 I HN 0.243 nan 8.210 nan 0.000 0.409 232 E N 1.378 121.456 120.200 -0.203 0.000 2.038 232 E HA -0.286 4.065 4.350 0.001 0.000 0.195 232 E C 2.340 178.766 176.600 -0.290 0.000 1.000 232 E CA 1.617 57.890 56.400 -0.212 0.000 0.803 232 E CB -0.218 29.374 29.700 -0.180 0.000 0.750 232 E HN 0.226 nan 8.360 nan 0.000 0.448 233 R N -0.031 120.183 120.500 -0.477 0.000 2.083 233 R HA -0.192 4.148 4.340 0.001 0.000 0.237 233 R C 2.434 178.590 176.300 -0.241 0.000 1.137 233 R CA 2.013 57.866 56.100 -0.412 0.000 0.951 233 R CB -0.231 29.746 30.300 -0.538 0.000 0.851 233 R HN 0.361 nan 8.270 nan 0.000 0.434 234 Q N 0.075 119.738 119.800 -0.227 0.000 2.079 234 Q HA -0.132 4.209 4.340 0.001 0.000 0.200 234 Q C 2.271 178.126 176.000 -0.241 0.000 0.974 234 Q CA 1.630 57.319 55.803 -0.190 0.000 0.840 234 Q CB -0.049 28.590 28.738 -0.166 0.000 0.898 234 Q HN 0.441 nan 8.270 nan 0.000 0.430 235 I N 1.112 121.517 120.570 -0.275 0.000 2.179 235 I HA -0.308 3.863 4.170 0.001 0.000 0.242 235 I C 1.870 177.847 176.117 -0.234 0.000 1.088 235 I CA 0.765 61.851 61.300 -0.356 0.000 1.357 235 I CB -0.404 37.435 38.000 -0.268 0.000 1.051 235 I HN 0.223 nan 8.210 nan 0.000 0.409 236 N N 0.887 119.493 118.700 -0.157 0.000 2.011 236 N HA -0.182 4.559 4.740 0.001 0.000 0.199 236 N C 1.945 177.403 175.510 -0.087 0.000 1.047 236 N CA 1.548 54.540 53.050 -0.097 0.000 0.863 236 N CB -0.915 37.523 38.487 -0.083 0.000 1.056 236 N HN 0.134 nan 8.380 nan 0.000 0.427 237 V N 1.110 120.965 119.914 -0.099 0.000 2.250 237 V HA -0.242 3.878 4.120 0.001 0.000 0.250 237 V C 2.491 178.545 176.094 -0.068 0.000 1.060 237 V CA 1.641 63.897 62.300 -0.072 0.000 1.030 237 V CB -0.713 31.066 31.823 -0.074 0.000 0.643 237 V HN 0.109 nan 8.190 nan 0.000 0.445 238 V N -0.409 119.438 119.914 -0.112 0.000 2.358 238 V HA -0.215 3.906 4.120 0.001 0.000 0.246 238 V C 2.320 178.400 176.094 -0.022 0.000 1.047 238 V CA 1.982 64.230 62.300 -0.086 0.000 1.035 238 V CB -0.661 31.053 31.823 -0.182 0.000 0.658 238 V HN 0.611 nan 8.190 nan 0.000 0.452 239 E N -0.219 119.964 120.200 -0.029 0.000 2.427 239 E HA -0.099 4.251 4.350 0.001 0.000 0.196 239 E C 1.516 178.127 176.600 0.019 0.000 1.028 239 E CA 0.254 56.676 56.400 0.037 0.000 0.864 239 E CB 0.012 29.753 29.700 0.068 0.000 0.813 239 E HN 0.664 nan 8.360 nan 0.000 0.514 240 E N 0.100 120.299 120.200 -0.002 0.000 2.403 240 E HA 0.048 4.398 4.350 0.001 0.000 0.187 240 E C 0.700 177.304 176.600 0.006 0.000 1.073 240 E CA 0.066 56.467 56.400 0.002 0.000 0.888 240 E CB 0.195 29.892 29.700 -0.004 0.000 1.035 240 E HN 0.337 nan 8.360 nan 0.000 0.471 241 G N 0.928 109.735 108.800 0.011 0.000 2.155 241 G HA2 -0.272 3.688 3.960 0.001 0.000 0.257 241 G HA3 -0.272 3.688 3.960 0.001 0.000 0.257 241 G C 0.432 175.337 174.900 0.008 0.000 0.983 241 G CA 0.075 45.183 45.100 0.013 0.000 0.676 241 G HN 0.479 nan 8.290 nan 0.000 0.528 242 G N -0.912 107.887 108.800 -0.000 0.000 2.461 242 G HA2 0.621 4.581 3.960 0.001 0.000 0.329 242 G HA3 0.621 4.581 3.960 0.001 0.000 0.329 242 G C -0.381 174.515 174.900 -0.007 0.000 1.170 242 G CA -0.567 44.531 45.100 -0.003 0.000 0.935 242 G HN 0.316 nan 8.290 nan 0.000 0.492 243 E N -0.474 119.724 120.200 -0.003 0.000 2.249 243 E HA 0.259 4.609 4.350 0.001 0.000 0.280 243 E C -0.368 176.226 176.600 -0.010 0.000 1.016 243 E CA -0.560 55.838 56.400 -0.003 0.000 0.830 243 E CB 2.547 32.250 29.700 0.005 0.000 1.081 243 E HN 0.255 nan 8.360 nan 0.000 0.395 244 V N 4.496 124.399 119.914 -0.018 0.000 2.508 244 V HA 0.143 4.264 4.120 0.001 0.000 0.281 244 V C -0.287 175.804 176.094 -0.005 0.000 1.041 244 V CA -0.212 62.075 62.300 -0.021 0.000 1.016 244 V CB 1.277 33.075 31.823 -0.040 0.000 0.984 244 V HN 0.396 nan 8.190 nan 0.000 0.478 245 V N 6.971 126.885 119.914 0.000 0.000 2.539 245 V HA 0.408 4.529 4.120 0.001 0.000 0.292 245 V C 0.225 176.327 176.094 0.013 0.000 1.045 245 V CA -0.466 61.840 62.300 0.010 0.000 0.945 245 V CB 1.678 33.509 31.823 0.013 0.000 0.993 245 V HN 1.067 nan 8.190 nan 0.000 0.464 246 Q N 5.822 125.632 119.800 0.017 0.000 2.307 246 Q HA 0.338 4.678 4.340 0.001 0.000 0.261 246 Q C -0.324 175.689 176.000 0.022 0.000 1.051 246 Q CA 0.018 55.832 55.803 0.019 0.000 0.911 246 Q CB 0.465 29.216 28.738 0.020 0.000 1.227 246 Q HN 0.926 nan 8.270 nan 0.000 0.418 247 E N 1.941 122.156 120.200 0.025 0.000 2.454 247 E HA 0.445 4.795 4.350 0.001 0.000 0.279 247 E C -1.318 175.303 176.600 0.034 0.000 1.029 247 E CA -0.875 55.543 56.400 0.030 0.000 0.831 247 E CB 1.142 30.863 29.700 0.035 0.000 1.405 247 E HN 0.301 nan 8.360 nan 0.000 0.463 248 T N 0.738 115.316 114.554 0.039 0.000 2.907 248 T HA 0.572 4.923 4.350 0.001 0.000 0.284 248 T C -0.242 174.492 174.700 0.058 0.000 1.004 248 T CA -0.594 61.533 62.100 0.045 0.000 1.063 248 T CB 0.982 69.875 68.868 0.042 0.000 0.992 248 T HN 0.289 nan 8.240 nan 0.000 0.483 249 R N 0.371 120.911 120.500 0.067 0.000 2.867 249 R HA 0.713 5.054 4.340 0.001 0.000 0.268 249 R C -0.608 175.755 176.300 0.105 0.000 1.014 249 R CA -0.899 55.255 56.100 0.090 0.000 0.946 249 R CB 1.982 32.335 30.300 0.087 0.000 1.208 249 R HN 0.689 nan 8.270 nan 0.000 0.477 250 T N -0.646 113.989 114.554 0.135 0.000 2.942 250 T HA 0.556 4.906 4.350 0.001 0.000 0.289 250 T C -1.192 173.621 174.700 0.188 0.000 1.044 250 T CA -0.667 61.524 62.100 0.152 0.000 1.023 250 T CB 1.383 70.334 68.868 0.139 0.000 1.123 250 T HN 0.375 nan 8.240 nan 0.000 0.512 251 F N 1.547 121.491 119.950 -0.010 0.000 2.493 251 F HA 0.545 5.073 4.527 0.001 0.000 0.329 251 F C -1.075 174.667 175.800 -0.097 0.000 1.126 251 F CA -1.258 56.693 58.000 -0.081 0.000 0.937 251 F CB 1.627 40.583 39.000 -0.074 0.000 1.146 251 F HN 0.630 nan 8.300 nan 0.000 0.442 252 D N 8.210 128.130 120.400 -0.800 0.000 2.373 252 D HA 0.408 5.049 4.640 0.001 0.000 0.227 252 D C -2.022 173.586 176.300 -1.154 0.000 1.091 252 D CA -2.305 51.282 54.000 -0.689 0.000 0.840 252 D CB 1.893 42.554 40.800 -0.231 0.000 1.060 252 D HN 0.185 nan 8.370 nan 0.000 0.502 253 P HA -0.251 nan 4.420 nan 0.000 0.215 253 P C 1.339 178.389 177.300 -0.417 0.000 1.163 253 P CA 1.357 63.905 63.100 -0.920 0.000 0.894 253 P CB 0.169 31.321 31.700 -0.912 0.000 0.791 254 Q N -1.370 118.258 119.800 -0.287 0.000 2.096 254 Q HA -0.198 4.143 4.340 0.001 0.000 0.208 254 Q C 2.218 178.136 176.000 -0.135 0.000 0.993 254 Q CA 2.263 57.982 55.803 -0.139 0.000 0.862 254 Q CB -1.616 27.060 28.738 -0.104 0.000 0.915 254 Q HN 0.290 nan 8.270 nan 0.000 0.416 255 T N -1.378 113.055 114.554 -0.203 0.000 3.054 255 T HA 0.160 4.511 4.350 0.001 0.000 0.259 255 T C 1.105 175.672 174.700 -0.221 0.000 1.092 255 T CA 1.140 63.141 62.100 -0.164 0.000 1.121 255 T CB -0.210 68.604 68.868 -0.090 0.000 0.912 255 T HN 0.598 nan 8.240 nan 0.000 0.489 256 G N 1.772 110.368 108.800 -0.340 0.000 2.198 256 G HA2 -0.222 3.738 3.960 0.001 0.000 0.260 256 G HA3 -0.222 3.738 3.960 0.001 0.000 0.260 256 G C -0.085 174.692 174.900 -0.205 0.000 1.025 256 G CA 0.564 45.562 45.100 -0.170 0.000 0.769 256 G HN 0.606 nan 8.290 nan 0.000 0.507 257 K N -0.287 119.788 120.400 -0.542 0.000 2.350 257 K HA 0.713 5.033 4.320 0.001 0.000 0.241 257 K C 0.084 176.306 176.600 -0.629 0.000 0.994 257 K CA -0.291 55.487 56.287 -0.849 0.000 0.839 257 K CB 1.710 33.604 32.500 -1.010 0.000 1.244 257 K HN 0.254 nan 8.250 nan 0.000 0.443 258 T N -1.180 113.133 114.554 -0.403 0.000 2.855 258 T HA 0.538 4.889 4.350 0.001 0.000 0.281 258 T C -0.820 173.638 174.700 -0.402 0.000 1.007 258 T CA -0.698 61.291 62.100 -0.185 0.000 1.009 258 T CB 0.363 69.337 68.868 0.176 0.000 0.983 258 T HN 0.398 nan 8.240 nan 0.000 0.455 259 Y N 1.730 122.097 120.300 0.112 0.000 2.462 259 Y HA 0.524 5.074 4.550 0.001 0.000 0.346 259 Y C -2.247 173.691 175.900 0.064 0.000 0.976 259 Y CA -2.710 55.433 58.100 0.071 0.000 1.044 259 Y CB 2.163 40.635 38.460 0.020 0.000 1.230 259 Y HN 0.505 nan 8.280 nan 0.000 0.455 260 P HA 0.160 nan 4.420 nan 0.000 0.274 260 P C -0.915 176.456 177.300 0.117 0.000 1.260 260 P CA -0.136 63.042 63.100 0.131 0.000 0.793 260 P CB 1.019 32.781 31.700 0.103 0.000 1.048 261 M N 0.294 119.941 119.600 0.078 0.000 2.472 261 M HA 0.388 4.869 4.480 0.001 0.000 0.331 261 M C 1.790 178.113 176.300 0.039 0.000 1.170 261 M CA -0.636 54.699 55.300 0.058 0.000 1.009 261 M CB 1.972 34.603 32.600 0.052 0.000 1.672 261 M HN 0.252 nan 8.290 nan 0.000 0.453 262 R N -0.306 120.209 120.500 0.025 0.000 2.189 262 R HA 0.004 4.345 4.340 0.001 0.000 0.223 262 R C 0.221 176.532 176.300 0.018 0.000 1.092 262 R CA 0.991 57.100 56.100 0.014 0.000 0.989 262 R CB -1.014 29.287 30.300 0.000 0.000 0.876 262 R HN 0.743 nan 8.270 nan 0.000 0.457 263 T N -0.245 114.323 114.554 0.023 0.000 2.733 263 T HA 0.317 4.668 4.350 0.001 0.000 0.294 263 T C -0.054 174.662 174.700 0.026 0.000 0.956 263 T CA -0.958 61.157 62.100 0.025 0.000 0.987 263 T CB 1.797 70.684 68.868 0.031 0.000 0.920 263 T HN 0.058 nan 8.240 nan 0.000 0.470 264 K N 2.455 122.869 120.400 0.022 0.000 3.165 264 K HA 0.086 4.407 4.320 0.001 0.000 0.270 264 K C 0.202 176.814 176.600 0.020 0.000 1.111 264 K CA 0.034 56.333 56.287 0.021 0.000 1.216 264 K CB -0.074 32.436 32.500 0.017 0.000 1.229 264 K HN 0.688 nan 8.250 nan 0.000 0.435 265 E N 2.082 122.296 120.200 0.023 0.000 2.003 265 E HA 0.003 4.353 4.350 0.001 0.000 0.279 265 E C -0.527 176.082 176.600 0.014 0.000 1.132 265 E CA -0.079 56.335 56.400 0.023 0.000 0.888 265 E CB 0.443 30.163 29.700 0.035 0.000 1.056 265 E HN 0.277 nan 8.360 nan 0.000 0.399 266 E N 1.308 121.512 120.200 0.007 0.000 2.409 266 E HA 0.239 4.590 4.350 0.001 0.000 0.257 266 E C -0.017 176.568 176.600 -0.024 0.000 1.150 266 E CA -0.493 55.904 56.400 -0.005 0.000 0.942 266 E CB 0.631 30.328 29.700 -0.006 0.000 0.979 266 E HN 0.475 nan 8.360 nan 0.000 0.447 267 A N 1.804 124.596 122.820 -0.046 0.000 2.346 267 A HA 0.157 4.478 4.320 0.001 0.000 0.252 267 A C -0.135 177.359 177.584 -0.150 0.000 1.089 267 A CA -0.122 51.848 52.037 -0.113 0.000 0.797 267 A CB 0.405 19.328 19.000 -0.129 0.000 1.047 267 A HN 0.629 nan 8.150 nan 0.000 0.494 268 E N 0.313 120.356 120.200 -0.261 0.000 2.210 268 E HA 0.193 4.543 4.350 0.001 0.000 0.266 268 E C -1.273 175.093 176.600 -0.390 0.000 0.883 268 E CA -0.868 55.401 56.400 -0.218 0.000 0.761 268 E CB 1.466 31.107 29.700 -0.097 0.000 1.156 268 E HN 0.718 nan 8.360 nan 0.000 0.412 269 D N 1.945 122.216 120.400 -0.216 0.000 2.923 269 D HA -0.191 4.449 4.640 0.001 0.000 0.220 269 D C -0.068 176.119 176.300 -0.188 0.000 1.099 269 D CA 1.027 54.937 54.000 -0.149 0.000 0.807 269 D CB 0.442 41.224 40.800 -0.031 0.000 1.155 269 D HN 0.492 nan 8.370 nan 0.000 0.524 270 Y N 3.182 123.428 120.300 -0.091 0.000 2.529 270 Y HA 0.060 4.611 4.550 0.001 0.000 0.290 270 Y C 1.208 177.006 175.900 -0.170 0.000 1.177 270 Y CA 0.152 58.093 58.100 -0.265 0.000 1.305 270 Y CB -0.011 37.980 38.460 -0.781 0.000 1.047 270 Y HN 0.406 nan 8.280 nan 0.000 0.522 271 R N -0.811 119.758 120.500 0.115 0.000 3.225 271 R HA -0.257 4.084 4.340 0.001 0.000 0.245 271 R C -1.048 175.471 176.300 0.364 0.000 0.928 271 R CA 0.167 56.400 56.100 0.222 0.000 0.632 271 R CB -2.717 27.672 30.300 0.148 0.000 1.038 271 R HN 0.267 nan 8.270 nan 0.000 0.461 272 Y N 0.925 121.356 120.300 0.217 0.000 2.683 272 Y HA 0.177 4.728 4.550 0.001 0.000 0.340 272 Y C 0.960 177.082 175.900 0.370 0.000 1.245 272 Y CA 0.926 59.110 58.100 0.140 0.000 1.485 272 Y CB 0.312 38.686 38.460 -0.143 0.000 1.328 272 Y HN 0.277 nan 8.280 nan 0.000 0.603 273 F N 0.545 120.611 119.950 0.192 0.000 2.740 273 F HA 0.517 5.044 4.527 0.001 0.000 0.312 273 F C -3.493 172.352 175.800 0.074 0.000 1.121 273 F CA -2.867 55.213 58.000 0.134 0.000 0.977 273 F CB 0.788 39.853 39.000 0.108 0.000 1.265 273 F HN 0.104 nan 8.300 nan 0.000 0.443 274 P HA -0.001 nan 4.420 nan 0.000 0.261 274 P C -0.573 176.386 177.300 -0.568 0.000 1.183 274 P CA 0.375 63.341 63.100 -0.223 0.000 0.761 274 P CB 0.455 32.133 31.700 -0.037 0.000 0.785 275 D N 5.500 125.611 120.400 -0.481 0.000 2.472 275 D HA -0.032 4.608 4.640 0.001 0.000 0.248 275 D C -1.194 174.950 176.300 -0.259 0.000 1.174 275 D CA -1.196 52.508 54.000 -0.493 0.000 0.883 275 D CB 0.679 41.284 40.800 -0.326 0.000 1.149 275 D HN 0.256 nan 8.370 nan 0.000 0.488 276 P HA 0.003 nan 4.420 nan 0.000 0.245 276 P C 0.227 177.508 177.300 -0.032 0.000 1.212 276 P CA 0.283 63.360 63.100 -0.038 0.000 0.774 276 P CB 0.508 32.244 31.700 0.060 0.000 0.999 277 D N -0.205 120.152 120.400 -0.071 0.000 2.348 277 D HA 0.099 4.739 4.640 0.001 0.000 0.211 277 D C 0.714 176.984 176.300 -0.051 0.000 0.998 277 D CA 0.633 54.599 54.000 -0.056 0.000 0.873 277 D CB 0.428 41.181 40.800 -0.079 0.000 0.925 277 D HN 0.285 nan 8.370 nan 0.000 0.524 278 L N 0.745 121.941 121.223 -0.045 0.000 2.386 278 L HA 0.311 4.652 4.340 0.001 0.000 0.271 278 L C 0.197 177.102 176.870 0.058 0.000 0.993 278 L CA -1.243 53.604 54.840 0.011 0.000 0.819 278 L CB 2.403 44.471 42.059 0.015 0.000 1.294 278 L HN -0.253 nan 8.230 nan 0.000 0.414 279 V N 0.105 120.065 119.914 0.078 0.000 3.185 279 V HA 0.420 4.540 4.120 0.001 0.000 0.305 279 V C -2.173 173.995 176.094 0.124 0.000 1.090 279 V CA -1.407 60.942 62.300 0.082 0.000 1.107 279 V CB -0.444 31.420 31.823 0.068 0.000 1.061 279 V HN 0.595 nan 8.190 nan 0.000 0.480 280 P HA 0.243 nan 4.420 nan 0.000 0.269 280 P C -0.622 176.735 177.300 0.095 0.000 1.209 280 P CA -0.336 62.808 63.100 0.073 0.000 0.776 280 P CB 0.297 32.017 31.700 0.033 0.000 0.876 281 L N 3.560 124.823 121.223 0.066 0.000 2.385 281 L HA 0.184 4.524 4.340 0.001 0.000 0.281 281 L C -0.027 176.890 176.870 0.079 0.000 1.106 281 L CA 0.547 55.447 54.840 0.100 0.000 0.856 281 L CB -0.531 41.534 42.059 0.010 0.000 1.186 281 L HN 0.193 nan 8.230 nan 0.000 0.453 282 K N 4.412 124.877 120.400 0.109 0.000 2.389 282 K HA 0.449 4.770 4.320 0.001 0.000 0.261 282 K C -1.260 175.427 176.600 0.146 0.000 1.014 282 K CA -0.584 55.763 56.287 0.099 0.000 0.920 282 K CB 1.475 34.018 32.500 0.073 0.000 1.149 282 K HN 0.430 nan 8.250 nan 0.000 0.444 283 V N 5.416 125.429 119.914 0.165 0.000 2.318 283 V HA 0.135 4.255 4.120 0.001 0.000 0.271 283 V C 0.182 176.406 176.094 0.217 0.000 1.030 283 V CA -0.802 61.655 62.300 0.262 0.000 0.844 283 V CB 0.858 32.808 31.823 0.212 0.000 1.015 283 V HN 0.581 nan 8.190 nan 0.000 0.460 284 K N 3.434 123.981 120.400 0.245 0.000 2.489 284 K HA -0.009 4.311 4.320 0.001 0.000 0.278 284 K C 1.249 177.959 176.600 0.183 0.000 1.000 284 K CA 0.161 56.553 56.287 0.174 0.000 1.012 284 K CB 0.810 33.391 32.500 0.135 0.000 0.903 284 K HN 0.570 nan 8.250 nan 0.000 0.485 285 K N 2.642 123.110 120.400 0.113 0.000 2.103 285 K HA -0.212 4.108 4.320 0.001 0.000 0.207 285 K C 1.085 177.747 176.600 0.103 0.000 1.048 285 K CA 1.800 58.138 56.287 0.085 0.000 0.930 285 K CB 0.152 32.685 32.500 0.054 0.000 0.716 285 K HN 0.419 nan 8.250 nan 0.000 0.444 286 E N -0.709 119.560 120.200 0.116 0.000 2.204 286 E HA -0.192 4.159 4.350 0.001 0.000 0.195 286 E C 1.243 177.964 176.600 0.202 0.000 0.990 286 E CA 1.096 57.569 56.400 0.121 0.000 0.821 286 E CB -0.174 29.580 29.700 0.090 0.000 0.750 286 E HN 0.462 nan 8.360 nan 0.000 0.477 287 W N 0.437 121.744 121.300 0.011 0.000 2.494 287 W HA 0.112 4.772 4.660 0.001 0.000 0.286 287 W C 1.587 178.112 176.519 0.011 0.000 1.218 287 W CA 0.518 57.872 57.345 0.014 0.000 1.313 287 W CB -0.359 29.113 29.460 0.019 0.000 1.105 287 W HN -0.006 nan 8.180 nan 0.000 0.561 288 I N 0.488 121.100 120.570 0.069 0.000 2.179 288 I HA -0.331 3.840 4.170 0.001 0.000 0.242 288 I C 2.216 178.311 176.117 -0.036 0.000 1.088 288 I CA 1.878 63.136 61.300 -0.070 0.000 1.357 288 I CB -0.698 37.276 38.000 -0.045 0.000 1.051 288 I HN -0.067 nan 8.210 nan 0.000 0.409 289 E N 0.429 120.641 120.200 0.020 0.000 2.130 289 E HA -0.309 4.041 4.350 0.001 0.000 0.196 289 E C 2.101 178.719 176.600 0.029 0.000 0.998 289 E CA 1.582 57.995 56.400 0.022 0.000 0.806 289 E CB -0.118 29.606 29.700 0.040 0.000 0.738 289 E HN 0.471 nan 8.360 nan 0.000 0.459 290 E N 0.331 120.571 120.200 0.067 0.000 2.152 290 E HA -0.156 4.195 4.350 0.001 0.000 0.192 290 E C 1.950 178.571 176.600 0.036 0.000 0.983 290 E CA 0.628 57.078 56.400 0.084 0.000 0.818 290 E CB 0.085 29.895 29.700 0.182 0.000 0.758 290 E HN 0.248 nan 8.360 nan 0.000 0.467 291 I N 0.658 121.210 120.570 -0.030 0.000 2.406 291 I HA -0.178 3.992 4.170 0.001 0.000 0.249 291 I C 2.553 178.629 176.117 -0.067 0.000 1.122 291 I CA 0.680 61.930 61.300 -0.083 0.000 1.431 291 I CB -0.081 37.790 38.000 -0.214 0.000 1.087 291 I HN 0.024 nan 8.210 nan 0.000 0.424 292 K N 1.476 121.839 120.400 -0.061 0.000 2.002 292 K HA -0.269 4.052 4.320 0.001 0.000 0.209 292 K C 2.249 178.832 176.600 -0.028 0.000 1.048 292 K CA 1.748 58.005 56.287 -0.051 0.000 0.930 292 K CB -0.066 32.408 32.500 -0.043 0.000 0.714 292 K HN 0.103 nan 8.250 nan 0.000 0.438 293 K N 0.268 120.662 120.400 -0.010 0.000 2.057 293 K HA -0.125 4.195 4.320 0.001 0.000 0.207 293 K C 0.870 177.472 176.600 0.003 0.000 1.049 293 K CA 1.681 57.969 56.287 0.002 0.000 0.931 293 K CB 0.003 32.512 32.500 0.014 0.000 0.714 293 K HN 0.147 nan 8.250 nan 0.000 0.440 294 N N 0.981 119.684 118.700 0.004 0.000 2.276 294 N HA -0.000 4.741 4.740 0.001 0.000 0.212 294 N C -0.194 175.312 175.510 -0.006 0.000 1.127 294 N CA -0.046 53.008 53.050 0.007 0.000 0.834 294 N CB 0.200 38.700 38.487 0.021 0.000 1.014 294 N HN 0.231 nan 8.380 nan 0.000 0.491 295 M N 2.175 121.764 119.600 -0.019 0.000 2.269 295 M HA 0.168 4.649 4.480 0.001 0.000 0.350 295 M C -2.273 174.019 176.300 -0.013 0.000 1.429 295 M CA -1.148 54.133 55.300 -0.031 0.000 1.063 295 M CB 0.272 32.846 32.600 -0.044 0.000 1.841 295 M HN -0.123 nan 8.290 nan 0.000 0.455 296 P HA 0.008 nan 4.420 nan 0.000 0.269 296 P C -1.194 176.129 177.300 0.039 0.000 1.217 296 P CA -0.195 62.913 63.100 0.014 0.000 0.783 296 P CB 0.306 32.009 31.700 0.005 0.000 0.898 297 E N 1.472 121.717 120.200 0.074 0.000 2.414 297 E HA 0.087 4.437 4.350 0.001 0.000 0.263 297 E C -0.680 176.008 176.600 0.146 0.000 1.000 297 E CA -0.127 56.331 56.400 0.096 0.000 0.914 297 E CB 0.150 29.922 29.700 0.120 0.000 0.948 297 E HN 0.283 nan 8.360 nan 0.000 0.444 298 L N 5.412 126.652 121.223 0.027 0.000 2.358 298 L HA 0.297 4.638 4.340 0.001 0.000 0.268 298 L C -1.667 175.019 176.870 -0.307 0.000 1.032 298 L CA -2.203 52.574 54.840 -0.105 0.000 0.805 298 L CB 0.986 42.975 42.059 -0.116 0.000 1.253 298 L HN 0.509 nan 8.230 nan 0.000 0.452 299 P HA -0.173 nan 4.420 nan 0.000 0.214 299 P C 0.586 177.741 177.300 -0.243 0.000 1.163 299 P CA 1.305 63.990 63.100 -0.693 0.000 0.889 299 P CB 0.176 31.485 31.700 -0.652 0.000 0.790 300 D N -0.972 119.317 120.400 -0.185 0.000 2.144 300 D HA -0.159 4.482 4.640 0.001 0.000 0.199 300 D C 2.085 178.393 176.300 0.014 0.000 0.984 300 D CA 1.063 55.010 54.000 -0.089 0.000 0.834 300 D CB -0.600 40.139 40.800 -0.101 0.000 0.955 300 D HN 0.356 nan 8.370 nan 0.000 0.465 301 Q N 0.214 120.009 119.800 -0.007 0.000 2.020 301 Q HA -0.096 4.245 4.340 0.001 0.000 0.202 301 Q C 2.320 178.367 176.000 0.077 0.000 0.982 301 Q CA 0.875 56.700 55.803 0.035 0.000 0.838 301 Q CB -0.045 28.704 28.738 0.018 0.000 0.899 301 Q HN 0.184 nan 8.270 nan 0.000 0.423 302 R N 0.189 120.733 120.500 0.073 0.000 2.083 302 R HA -0.181 4.160 4.340 0.001 0.000 0.237 302 R C 2.150 178.531 176.300 0.135 0.000 1.137 302 R CA 1.395 57.566 56.100 0.119 0.000 0.951 302 R CB -0.361 30.035 30.300 0.161 0.000 0.851 302 R HN 0.222 nan 8.270 nan 0.000 0.434 303 F N 2.047 121.986 119.950 -0.018 0.000 2.087 303 F HA -0.296 4.232 4.527 0.001 0.000 0.299 303 F C 2.240 178.044 175.800 0.005 0.000 1.100 303 F CA 1.924 59.913 58.000 -0.018 0.000 1.226 303 F CB -0.003 38.970 39.000 -0.046 0.000 0.983 303 F HN 0.083 nan 8.300 nan 0.000 0.479 304 E N 0.033 120.388 120.200 0.258 0.000 2.106 304 E HA -0.225 4.126 4.350 0.001 0.000 0.192 304 E C 2.302 178.933 176.600 0.053 0.000 0.984 304 E CA 1.069 57.554 56.400 0.141 0.000 0.806 304 E CB -0.619 29.167 29.700 0.143 0.000 0.750 304 E HN 0.485 nan 8.360 nan 0.000 0.458 305 R N 0.821 121.362 120.500 0.068 0.000 2.096 305 R HA -0.070 4.270 4.340 0.001 0.000 0.235 305 R C 2.533 178.889 176.300 0.093 0.000 1.127 305 R CA 0.762 56.902 56.100 0.067 0.000 0.968 305 R CB -0.170 30.181 30.300 0.086 0.000 0.861 305 R HN 0.124 nan 8.270 nan 0.000 0.440 306 L N 0.439 121.722 121.223 0.099 0.000 1.994 306 L HA -0.208 4.132 4.340 0.001 0.000 0.208 306 L C 2.509 179.440 176.870 0.102 0.000 1.071 306 L CA 1.409 56.359 54.840 0.184 0.000 0.745 306 L CB -0.486 41.552 42.059 -0.035 0.000 0.892 306 L HN 0.259 nan 8.230 nan 0.000 0.431 307 I N -0.111 120.414 120.570 -0.075 0.000 2.143 307 I HA -0.402 3.769 4.170 0.001 0.000 0.245 307 I C 2.600 178.713 176.117 -0.006 0.000 1.068 307 I CA 1.697 62.950 61.300 -0.078 0.000 1.326 307 I CB -0.265 37.658 38.000 -0.128 0.000 1.028 307 I HN 0.271 nan 8.210 nan 0.000 0.412 308 K N 0.230 120.631 120.400 0.002 0.000 1.995 308 K HA -0.139 4.182 4.320 0.001 0.000 0.207 308 K C 2.095 178.672 176.600 -0.039 0.000 1.041 308 K CA 1.006 57.287 56.287 -0.009 0.000 0.942 308 K CB -0.172 32.322 32.500 -0.009 0.000 0.731 308 K HN 0.167 nan 8.250 nan 0.000 0.439 309 E N -0.680 119.469 120.200 -0.085 0.000 2.333 309 E HA -0.179 4.171 4.350 0.001 0.000 0.198 309 E C 0.429 176.758 176.600 -0.450 0.000 1.007 309 E CA 1.218 57.436 56.400 -0.304 0.000 0.845 309 E CB 0.271 29.704 29.700 -0.445 0.000 0.766 309 E HN 0.361 nan 8.360 nan 0.000 0.507 310 Y N -2.348 117.978 120.300 0.043 0.000 2.590 310 Y HA 0.270 4.820 4.550 0.001 0.000 0.263 310 Y C 1.134 177.059 175.900 0.042 0.000 1.069 310 Y CA 0.162 58.310 58.100 0.080 0.000 1.242 310 Y CB 1.352 39.922 38.460 0.182 0.000 1.357 310 Y HN 0.052 nan 8.280 nan 0.000 0.556 311 G N 1.545 110.420 108.800 0.126 0.000 2.179 311 G HA2 -0.301 3.660 3.960 0.001 0.000 0.257 311 G HA3 -0.301 3.660 3.960 0.001 0.000 0.257 311 G C 0.161 175.089 174.900 0.047 0.000 1.010 311 G CA 0.297 45.436 45.100 0.065 0.000 0.736 311 G HN 0.264 nan 8.290 nan 0.000 0.513 312 L N 0.920 122.161 121.223 0.030 0.000 2.473 312 L HA 0.377 4.718 4.340 0.001 0.000 0.268 312 L C 1.589 178.420 176.870 -0.065 0.000 1.215 312 L CA 0.237 55.048 54.840 -0.048 0.000 0.823 312 L CB 0.492 42.452 42.059 -0.165 0.000 1.099 312 L HN 0.474 nan 8.230 nan 0.000 0.483 313 S N 0.067 115.741 115.700 -0.043 0.000 2.614 313 S HA 0.121 4.592 4.470 0.001 0.000 0.265 313 S C 0.678 175.240 174.600 -0.064 0.000 1.303 313 S CA -0.769 57.424 58.200 -0.012 0.000 1.000 313 S CB 1.193 64.431 63.200 0.063 0.000 0.935 313 S HN 0.636 nan 8.310 nan 0.000 0.551 314 E N -0.350 119.848 120.200 -0.004 0.000 2.268 314 E HA -0.133 4.218 4.350 0.001 0.000 0.195 314 E C 1.398 178.070 176.600 0.120 0.000 0.995 314 E CA 0.980 57.399 56.400 0.033 0.000 0.836 314 E CB -0.238 29.584 29.700 0.203 0.000 0.763 314 E HN 0.835 nan 8.360 nan 0.000 0.491 315 Y N 1.678 121.976 120.300 -0.003 0.000 2.220 315 Y HA -0.137 4.413 4.550 0.001 0.000 0.291 315 Y C 1.858 177.734 175.900 -0.041 0.000 1.129 315 Y CA 1.516 59.616 58.100 0.001 0.000 1.161 315 Y CB 0.143 38.596 38.460 -0.010 0.000 0.997 315 Y HN -0.069 nan 8.280 nan 0.000 0.522 316 E N 0.496 120.608 120.200 -0.148 0.000 2.015 316 E HA -0.162 4.189 4.350 0.001 0.000 0.191 316 E C 2.426 178.822 176.600 -0.341 0.000 0.991 316 E CA 0.994 57.212 56.400 -0.304 0.000 0.802 316 E CB -0.396 29.207 29.700 -0.161 0.000 0.759 316 E HN 0.563 nan 8.360 nan 0.000 0.447 317 A N 1.365 123.979 122.820 -0.343 0.000 1.908 317 A HA -0.155 4.166 4.320 0.001 0.000 0.218 317 A C 2.424 179.877 177.584 -0.218 0.000 1.181 317 A CA 1.875 53.663 52.037 -0.415 0.000 0.627 317 A CB -1.350 17.216 19.000 -0.724 0.000 0.818 317 A HN 0.372 nan 8.150 nan 0.000 0.445 318 G N 0.065 108.839 108.800 -0.043 0.000 2.476 318 G HA2 -0.260 3.700 3.960 0.001 0.000 0.218 318 G HA3 -0.260 3.700 3.960 0.001 0.000 0.218 318 G C 1.540 176.450 174.900 0.016 0.000 1.164 318 G CA 1.209 46.426 45.100 0.194 0.000 0.768 318 G HN 0.477 nan 8.290 nan 0.000 0.560 319 I N 0.462 120.949 120.570 -0.138 0.000 2.163 319 I HA -0.167 4.004 4.170 0.001 0.000 0.243 319 I C 2.638 178.704 176.117 -0.085 0.000 1.085 319 I CA 0.884 62.093 61.300 -0.151 0.000 1.347 319 I CB -0.107 37.713 38.000 -0.300 0.000 1.044 319 I HN 0.122 nan 8.210 nan 0.000 0.408 320 L N -0.559 120.582 121.223 -0.137 0.000 2.275 320 L HA -0.132 4.209 4.340 0.001 0.000 0.215 320 L C 2.220 179.105 176.870 0.024 0.000 1.119 320 L CA 0.811 55.582 54.840 -0.114 0.000 0.790 320 L CB -0.329 41.576 42.059 -0.256 0.000 0.919 320 L HN 0.170 nan 8.230 nan 0.000 0.443 321 V N -0.826 119.137 119.914 0.083 0.000 2.922 321 V HA -0.036 4.084 4.120 0.001 0.000 0.242 321 V C 1.904 178.140 176.094 0.238 0.000 1.094 321 V CA 0.653 63.076 62.300 0.205 0.000 1.106 321 V CB -0.084 31.858 31.823 0.197 0.000 0.799 321 V HN 0.362 nan 8.190 nan 0.000 0.474 322 N N -0.038 118.753 118.700 0.151 0.000 2.223 322 N HA -0.135 4.606 4.740 0.001 0.000 0.185 322 N C 0.966 176.588 175.510 0.186 0.000 1.016 322 N CA 1.099 54.228 53.050 0.132 0.000 0.863 322 N CB -0.284 38.245 38.487 0.070 0.000 0.983 322 N HN 0.670 nan 8.380 nan 0.000 0.429 323 H N 0.358 119.468 119.070 0.065 0.000 2.725 323 H HA 0.184 4.740 4.556 0.001 0.000 0.283 323 H C 0.980 176.331 175.328 0.038 0.000 1.110 323 H CA -0.483 55.589 56.048 0.039 0.000 1.289 323 H CB 0.642 30.403 29.762 -0.002 0.000 1.400 323 H HN -0.072 nan 8.280 nan 0.000 0.493 324 K N 2.921 123.467 120.400 0.243 0.000 2.074 324 K HA -0.223 4.097 4.320 0.001 0.000 0.209 324 K C 0.963 177.566 176.600 0.005 0.000 1.048 324 K CA 2.113 58.408 56.287 0.014 0.000 0.926 324 K CB 0.303 32.552 32.500 -0.420 0.000 0.713 324 K HN 0.621 nan 8.250 nan 0.000 0.444 325 E N -0.053 120.185 120.200 0.063 0.000 2.208 325 E HA -0.103 4.248 4.350 0.001 0.000 0.193 325 E C 1.824 178.374 176.600 -0.084 0.000 0.988 325 E CA 0.837 57.230 56.400 -0.012 0.000 0.828 325 E CB 0.119 29.849 29.700 0.051 0.000 0.763 325 E HN 0.091 nan 8.360 nan 0.000 0.478 326 V N 0.515 120.266 119.914 -0.272 0.000 2.237 326 V HA -0.205 3.915 4.120 0.001 0.000 0.245 326 V C 2.340 178.436 176.094 0.003 0.000 1.046 326 V CA 2.072 64.243 62.300 -0.215 0.000 1.007 326 V CB -1.213 30.418 31.823 -0.320 0.000 0.638 326 V HN 0.443 nan 8.190 nan 0.000 0.445 327 G N 0.024 108.827 108.800 0.006 0.000 2.469 327 G HA2 -0.287 3.674 3.960 0.001 0.000 0.220 327 G HA3 -0.287 3.674 3.960 0.001 0.000 0.220 327 G C 1.186 176.172 174.900 0.143 0.000 1.136 327 G CA 1.285 46.423 45.100 0.064 0.000 0.759 327 G HN 0.548 nan 8.290 nan 0.000 0.562 328 D N -0.427 120.031 120.400 0.097 0.000 2.183 328 D HA -0.032 4.609 4.640 0.001 0.000 0.203 328 D C 1.904 178.259 176.300 0.093 0.000 0.969 328 D CA 0.153 54.199 54.000 0.077 0.000 0.842 328 D CB -0.333 40.480 40.800 0.022 0.000 0.957 328 D HN 0.380 nan 8.370 nan 0.000 0.484 329 F N 0.609 120.547 119.950 -0.019 0.000 2.075 329 F HA -0.204 4.324 4.527 0.001 0.000 0.297 329 F C 2.175 177.968 175.800 -0.012 0.000 1.113 329 F CA 1.071 59.050 58.000 -0.035 0.000 1.218 329 F CB -0.237 38.733 39.000 -0.050 0.000 0.984 329 F HN -0.115 nan 8.300 nan 0.000 0.472 330 F N 1.536 121.614 119.950 0.214 0.000 2.087 330 F HA -0.278 4.250 4.527 0.001 0.000 0.299 330 F C 2.268 178.037 175.800 -0.052 0.000 1.100 330 F CA 2.408 60.444 58.000 0.060 0.000 1.226 330 F CB -0.641 38.320 39.000 -0.066 0.000 0.983 330 F HN 0.072 nan 8.300 nan 0.000 0.479 331 E N -0.459 119.724 120.200 -0.028 0.000 2.208 331 E HA -0.216 4.135 4.350 0.001 0.000 0.193 331 E C 2.076 178.605 176.600 -0.119 0.000 0.988 331 E CA 1.042 57.367 56.400 -0.125 0.000 0.828 331 E CB -0.255 29.502 29.700 0.094 0.000 0.763 331 E HN 0.618 nan 8.360 nan 0.000 0.478 332 E N 0.464 120.592 120.200 -0.121 0.000 2.158 332 E HA -0.090 4.261 4.350 0.001 0.000 0.191 332 E C 1.932 178.427 176.600 -0.175 0.000 0.982 332 E CA 0.601 56.927 56.400 -0.124 0.000 0.823 332 E CB 0.106 29.686 29.700 -0.199 0.000 0.766 332 E HN 0.185 nan 8.360 nan 0.000 0.468 333 A N 0.812 123.466 122.820 -0.276 0.000 1.841 333 A HA -0.120 4.201 4.320 0.001 0.000 0.214 333 A C 2.309 179.798 177.584 -0.158 0.000 1.195 333 A CA 1.207 53.094 52.037 -0.250 0.000 0.611 333 A CB -0.978 17.935 19.000 -0.146 0.000 0.835 333 A HN 0.245 nan 8.150 nan 0.000 0.443 334 V N -0.076 119.633 119.914 -0.343 0.000 2.828 334 V HA -0.237 3.884 4.120 0.001 0.000 0.260 334 V C 2.473 178.522 176.094 -0.076 0.000 1.101 334 V CA 2.458 64.584 62.300 -0.290 0.000 1.123 334 V CB -0.834 30.657 31.823 -0.553 0.000 0.704 334 V HN 0.611 nan 8.190 nan 0.000 0.493 335 R N -1.196 119.299 120.500 -0.008 0.000 2.073 335 R HA -0.097 4.243 4.340 0.001 0.000 0.229 335 R C 2.207 178.557 176.300 0.083 0.000 1.120 335 R CA 1.713 57.846 56.100 0.055 0.000 0.967 335 R CB -0.242 30.105 30.300 0.079 0.000 0.862 335 R HN 0.664 nan 8.270 nan 0.000 0.436 336 H N -2.254 116.799 119.070 -0.029 0.000 2.428 336 H HA 0.059 4.615 4.556 0.001 0.000 0.296 336 H C -0.555 174.855 175.328 0.136 0.000 1.062 336 H CA 0.966 57.026 56.048 0.021 0.000 1.350 336 H CB 0.201 29.957 29.762 -0.010 0.000 1.403 336 H HN 0.025 nan 8.280 nan 0.000 0.533 337 F N 0.235 120.220 119.950 0.058 0.000 2.730 337 F HA 0.269 4.796 4.527 0.001 0.000 0.335 337 F C -0.287 175.517 175.800 0.008 0.000 1.212 337 F CA -1.464 56.548 58.000 0.021 0.000 1.016 337 F CB 1.118 40.129 39.000 0.017 0.000 1.290 337 F HN -0.327 nan 8.300 nan 0.000 0.495 338 K N 3.645 123.821 120.400 -0.374 0.000 3.245 338 K HA 0.031 4.351 4.320 0.001 0.000 0.285 338 K C -0.265 176.060 176.600 -0.459 0.000 1.156 338 K CA 0.260 56.356 56.287 -0.317 0.000 1.162 338 K CB -0.234 32.164 32.500 -0.171 0.000 1.365 338 K HN 0.469 nan 8.250 nan 0.000 0.316 339 E N 1.197 121.056 120.200 -0.569 0.000 2.546 339 E HA 0.145 4.496 4.350 0.001 0.000 0.227 339 E C -2.072 174.484 176.600 -0.072 0.000 1.009 339 E CA -2.697 53.490 56.400 -0.355 0.000 0.813 339 E CB 0.941 30.369 29.700 -0.454 0.000 1.269 339 E HN 0.126 nan 8.360 nan 0.000 0.432 340 P HA -0.174 nan 4.420 nan 0.000 0.215 340 P C 1.081 178.541 177.300 0.267 0.000 1.157 340 P CA 1.083 64.305 63.100 0.204 0.000 0.863 340 P CB 0.407 32.332 31.700 0.375 0.000 0.787 341 K N -0.328 120.180 120.400 0.180 0.000 2.148 341 K HA -0.047 4.273 4.320 0.001 0.000 0.204 341 K C 2.334 179.037 176.600 0.171 0.000 1.050 341 K CA 1.426 57.806 56.287 0.156 0.000 0.942 341 K CB -0.791 31.773 32.500 0.106 0.000 0.724 341 K HN 0.100 nan 8.250 nan 0.000 0.446 342 G N 1.468 110.380 108.800 0.187 0.000 2.433 342 G HA2 -0.233 3.728 3.960 0.001 0.000 0.216 342 G HA3 -0.233 3.728 3.960 0.001 0.000 0.216 342 G C 1.509 176.616 174.900 0.346 0.000 1.186 342 G CA 0.680 45.944 45.100 0.273 0.000 0.779 342 G HN 0.181 nan 8.290 nan 0.000 0.543 343 I N 1.168 121.912 120.570 0.289 0.000 2.226 343 I HA -0.196 3.974 4.170 0.001 0.000 0.245 343 I C 2.922 179.254 176.117 0.359 0.000 1.100 343 I CA 1.129 62.612 61.300 0.306 0.000 1.374 343 I CB -0.331 37.762 38.000 0.156 0.000 1.057 343 I HN 0.143 nan 8.210 nan 0.000 0.413 344 V N -0.037 120.105 119.914 0.382 0.000 2.392 344 V HA -0.259 3.861 4.120 0.001 0.000 0.249 344 V C 2.088 178.257 176.094 0.125 0.000 1.059 344 V CA 2.030 64.455 62.300 0.209 0.000 1.051 344 V CB -1.248 30.591 31.823 0.028 0.000 0.658 344 V HN 0.401 nan 8.190 nan 0.000 0.455 345 N N 0.017 118.797 118.700 0.132 0.000 2.039 345 N HA -0.143 4.597 4.740 0.001 0.000 0.193 345 N C 1.455 176.951 175.510 -0.023 0.000 1.044 345 N CA 2.107 55.167 53.050 0.018 0.000 0.847 345 N CB -0.676 37.790 38.487 -0.035 0.000 1.030 345 N HN 0.675 nan 8.380 nan 0.000 0.422 346 W N 0.958 122.300 121.300 0.070 0.000 2.402 346 W HA 0.026 4.687 4.660 0.000 0.000 0.286 346 W C 2.096 178.634 176.519 0.031 0.000 1.221 346 W CA 0.074 57.452 57.345 0.055 0.000 1.257 346 W CB -0.504 28.997 29.460 0.070 0.000 1.120 346 W HN 0.085 nan 8.180 nan 0.000 0.551 347 L N 0.359 121.722 121.223 0.234 0.000 2.005 347 L HA -0.129 4.212 4.340 0.001 0.000 0.207 347 L C 1.986 178.859 176.870 0.006 0.000 1.072 347 L CA 2.001 56.895 54.840 0.090 0.000 0.744 347 L CB -1.000 41.121 42.059 0.103 0.000 0.895 347 L HN -0.012 nan 8.230 nan 0.000 0.433 348 I N -0.258 120.313 120.570 0.001 0.000 2.353 348 I HA -0.200 3.970 4.170 0.001 0.000 0.248 348 I C 1.739 177.842 176.117 -0.024 0.000 1.119 348 I CA 0.988 62.267 61.300 -0.035 0.000 1.417 348 I CB -0.401 37.577 38.000 -0.038 0.000 1.078 348 I HN 0.378 nan 8.210 nan 0.000 0.421 349 N N -0.150 118.527 118.700 -0.038 0.000 2.405 349 N HA -0.031 4.710 4.740 0.001 0.000 0.175 349 N C 0.983 176.450 175.510 -0.072 0.000 1.051 349 N CA 0.835 53.841 53.050 -0.074 0.000 0.899 349 N CB 0.331 38.727 38.487 -0.152 0.000 1.000 349 N HN 0.412 nan 8.380 nan 0.000 0.451 350 D N -0.170 120.217 120.400 -0.022 0.000 3.234 350 D HA 0.012 4.652 4.640 0.001 0.000 0.281 350 D C 1.830 178.169 176.300 0.065 0.000 1.405 350 D CA -0.188 53.842 54.000 0.050 0.000 1.115 350 D CB 0.056 40.972 40.800 0.194 0.000 1.198 350 D HN -0.079 nan 8.370 nan 0.000 0.388 351 L N 1.805 123.074 121.223 0.076 0.000 1.955 351 L HA -0.152 4.188 4.340 0.001 0.000 0.213 351 L C 2.256 179.099 176.870 -0.046 0.000 1.072 351 L CA 1.523 56.369 54.840 0.011 0.000 0.755 351 L CB -0.887 41.149 42.059 -0.038 0.000 0.888 351 L HN -0.005 nan 8.230 nan 0.000 0.432 352 L N 0.017 121.193 121.223 -0.078 0.000 2.051 352 L HA -0.171 4.170 4.340 0.001 0.000 0.214 352 L C 2.507 179.352 176.870 -0.041 0.000 1.076 352 L CA 2.113 56.902 54.840 -0.086 0.000 0.758 352 L CB -2.022 39.982 42.059 -0.091 0.000 0.890 352 L HN 0.476 nan 8.230 nan 0.000 0.433 353 G N -1.891 106.896 108.800 -0.022 0.000 2.464 353 G HA2 -0.111 3.849 3.960 0.001 0.000 0.217 353 G HA3 -0.111 3.849 3.960 0.001 0.000 0.217 353 G C 1.711 176.610 174.900 -0.002 0.000 1.138 353 G CA 0.239 45.334 45.100 -0.008 0.000 0.793 353 G HN 0.314 nan 8.290 nan 0.000 0.539 354 L N -0.116 121.108 121.223 0.002 0.000 2.044 354 L HA 0.054 4.394 4.340 0.001 0.000 0.205 354 L C 2.885 179.757 176.870 0.003 0.000 1.075 354 L CA 0.660 55.506 54.840 0.011 0.000 0.747 354 L CB -0.367 41.708 42.059 0.025 0.000 0.903 354 L HN 0.203 nan 8.230 nan 0.000 0.435 355 L N -0.838 120.379 121.223 -0.010 0.000 2.046 355 L HA -0.222 4.119 4.340 0.001 0.000 0.208 355 L C 2.778 179.645 176.870 -0.005 0.000 1.077 355 L CA 1.170 56.002 54.840 -0.013 0.000 0.747 355 L CB -0.613 41.423 42.059 -0.039 0.000 0.896 355 L HN 0.206 nan 8.230 nan 0.000 0.432 356 R N 0.108 120.604 120.500 -0.007 0.000 2.103 356 R HA -0.201 4.140 4.340 0.001 0.000 0.242 356 R C 1.923 178.225 176.300 0.003 0.000 1.142 356 R CA 1.952 58.053 56.100 0.001 0.000 0.960 356 R CB -0.325 29.975 30.300 0.000 0.000 0.858 356 R HN 0.375 nan 8.270 nan 0.000 0.439 357 D N -0.000 120.402 120.400 0.004 0.000 2.117 357 D HA -0.104 4.536 4.640 0.001 0.000 0.198 357 D C 1.790 178.095 176.300 0.008 0.000 0.982 357 D CA 1.011 55.014 54.000 0.007 0.000 0.828 357 D CB -0.010 40.795 40.800 0.008 0.000 0.967 357 D HN 0.002 nan 8.370 nan 0.000 0.464 358 K N -0.337 120.069 120.400 0.009 0.000 2.209 358 K HA -0.026 4.294 4.320 0.001 0.000 0.204 358 K C 1.331 177.937 176.600 0.010 0.000 1.048 358 K CA 1.059 57.352 56.287 0.010 0.000 0.940 358 K CB -0.086 32.421 32.500 0.012 0.000 0.729 358 K HN 0.280 nan 8.250 nan 0.000 0.451 359 G N 2.013 110.818 108.800 0.008 0.000 2.130 359 G HA2 -0.219 3.742 3.960 0.001 0.000 0.216 359 G HA3 -0.219 3.742 3.960 0.001 0.000 0.216 359 G C 0.190 175.096 174.900 0.011 0.000 0.999 359 G CA 0.353 45.458 45.100 0.008 0.000 0.686 359 G HN 0.393 nan 8.290 nan 0.000 0.515 360 I N -0.639 119.938 120.570 0.012 0.000 2.498 360 I HA 0.801 4.972 4.170 0.001 0.000 0.301 360 I C 0.657 176.785 176.117 0.017 0.000 0.984 360 I CA -0.524 60.785 61.300 0.016 0.000 1.204 360 I CB 1.849 39.860 38.000 0.019 0.000 1.362 360 I HN 0.276 nan 8.210 nan 0.000 0.471 361 S N 4.311 120.028 115.700 0.027 0.000 2.584 361 S HA 0.236 4.707 4.470 0.001 0.000 0.273 361 S C 0.779 175.395 174.600 0.025 0.000 1.311 361 S CA -0.673 57.553 58.200 0.044 0.000 1.034 361 S CB 1.707 64.941 63.200 0.057 0.000 0.939 361 S HN 0.789 nan 8.310 nan 0.000 0.513 362 I N 1.423 121.989 120.570 -0.006 0.000 2.530 362 I HA -0.121 4.049 4.170 0.001 0.000 0.257 362 I C 1.849 178.007 176.117 0.068 0.000 1.179 362 I CA 1.546 62.806 61.300 -0.066 0.000 1.440 362 I CB -0.508 37.346 38.000 -0.243 0.000 1.087 362 I HN 0.832 nan 8.210 nan 0.000 0.440 363 E N 0.198 120.442 120.200 0.073 0.000 2.072 363 E HA -0.200 4.151 4.350 0.001 0.000 0.191 363 E C 1.728 178.375 176.600 0.078 0.000 0.985 363 E CA 1.265 57.715 56.400 0.083 0.000 0.801 363 E CB -0.128 29.609 29.700 0.061 0.000 0.750 363 E HN 0.450 nan 8.360 nan 0.000 0.452 364 E N 0.348 120.586 120.200 0.063 0.000 2.444 364 E HA 0.065 4.416 4.350 0.001 0.000 0.191 364 E C -0.506 176.131 176.600 0.062 0.000 1.041 364 E CA -0.163 56.269 56.400 0.053 0.000 0.883 364 E CB 0.414 30.137 29.700 0.039 0.000 1.024 364 E HN 0.133 nan 8.360 nan 0.000 0.470 365 S N -0.009 115.742 115.700 0.085 0.000 2.562 365 S HA 0.116 4.586 4.470 0.001 0.000 0.281 365 S C -1.663 173.006 174.600 0.114 0.000 1.333 365 S CA -1.129 57.125 58.200 0.089 0.000 1.052 365 S CB 1.223 64.468 63.200 0.075 0.000 0.884 365 S HN -0.128 nan 8.310 nan 0.000 0.506 366 P HA 0.011 nan 4.420 nan 0.000 0.218 366 P C -0.157 177.262 177.300 0.199 0.000 1.149 366 P CA 0.435 63.606 63.100 0.118 0.000 0.817 366 P CB -0.130 31.621 31.700 0.086 0.000 0.785 367 V N 1.329 121.370 119.914 0.212 0.000 2.415 367 V HA 0.053 4.174 4.120 0.001 0.000 0.267 367 V C 0.691 176.959 176.094 0.291 0.000 1.042 367 V CA -0.011 62.473 62.300 0.307 0.000 1.000 367 V CB -0.345 31.620 31.823 0.238 0.000 1.015 367 V HN 0.022 nan 8.190 nan 0.000 0.478 368 K N 5.967 126.350 120.400 -0.029 0.000 2.098 368 K HA 0.347 4.668 4.320 0.001 0.000 0.261 368 K C -1.601 174.712 176.600 -0.479 0.000 0.987 368 K CA -1.705 54.375 56.287 -0.345 0.000 0.916 368 K CB 0.980 33.133 32.500 -0.579 0.000 1.039 368 K HN 0.199 nan 8.250 nan 0.000 0.455 369 P HA -0.253 nan 4.420 nan 0.000 0.218 369 P C 0.036 176.980 177.300 -0.593 0.000 1.150 369 P CA 1.492 64.062 63.100 -0.883 0.000 0.841 369 P CB 0.259 31.366 31.700 -0.989 0.000 0.784 370 E N -1.815 117.969 120.200 -0.694 0.000 2.072 370 E HA -0.195 4.155 4.350 0.001 0.000 0.191 370 E C 1.928 178.447 176.600 -0.134 0.000 0.985 370 E CA 1.288 57.386 56.400 -0.504 0.000 0.801 370 E CB -1.158 28.344 29.700 -0.331 0.000 0.750 370 E HN 0.547 nan 8.360 nan 0.000 0.452 371 H N -0.462 118.535 119.070 -0.121 0.000 2.357 371 H HA -0.042 4.515 4.556 0.001 0.000 0.301 371 H C 1.961 177.260 175.328 -0.047 0.000 1.082 371 H CA 0.714 56.725 56.048 -0.060 0.000 1.342 371 H CB 0.037 29.784 29.762 -0.025 0.000 1.389 371 H HN 0.033 nan 8.280 nan 0.000 0.511 372 L N 0.990 122.284 121.223 0.117 0.000 2.056 372 L HA -0.050 4.290 4.340 0.001 0.000 0.207 372 L C 2.473 179.367 176.870 0.040 0.000 1.078 372 L CA 1.528 56.425 54.840 0.095 0.000 0.749 372 L CB -0.661 41.529 42.059 0.218 0.000 0.901 372 L HN 0.220 nan 8.230 nan 0.000 0.433 373 A N -1.135 121.705 122.820 0.034 0.000 1.933 373 A HA -0.237 4.084 4.320 0.001 0.000 0.218 373 A C 2.319 179.911 177.584 0.014 0.000 1.175 373 A CA 1.768 53.858 52.037 0.088 0.000 0.628 373 A CB -0.605 18.455 19.000 0.099 0.000 0.814 373 A HN 0.578 nan 8.150 nan 0.000 0.444 374 E N -0.622 119.557 120.200 -0.035 0.000 2.028 374 E HA -0.179 4.171 4.350 0.001 0.000 0.191 374 E C 1.975 178.471 176.600 -0.172 0.000 0.988 374 E CA 1.296 57.630 56.400 -0.110 0.000 0.799 374 E CB -0.191 29.482 29.700 -0.045 0.000 0.755 374 E HN 0.464 nan 8.360 nan 0.000 0.447 375 L N 0.711 121.842 121.223 -0.153 0.000 2.042 375 L HA -0.167 4.174 4.340 0.001 0.000 0.210 375 L C 2.227 178.898 176.870 -0.332 0.000 1.076 375 L CA 1.462 56.152 54.840 -0.251 0.000 0.749 375 L CB -0.506 41.383 42.059 -0.283 0.000 0.893 375 L HN 0.003 nan 8.230 nan 0.000 0.432 376 V N -0.215 119.542 119.914 -0.260 0.000 2.626 376 V HA -0.258 3.863 4.120 0.001 0.000 0.252 376 V C 2.665 178.716 176.094 -0.071 0.000 1.067 376 V CA 1.808 64.010 62.300 -0.164 0.000 1.081 376 V CB -0.745 31.118 31.823 0.066 0.000 0.686 376 V HN 0.511 nan 8.190 nan 0.000 0.468 377 K N 0.155 120.369 120.400 -0.311 0.000 2.026 377 K HA -0.164 4.157 4.320 0.001 0.000 0.208 377 K C 2.114 178.514 176.600 -0.334 0.000 1.048 377 K CA 1.600 57.459 56.287 -0.713 0.000 0.929 377 K CB -0.236 31.679 32.500 -0.975 0.000 0.713 377 K HN 0.404 nan 8.250 nan 0.000 0.439 378 L N 1.094 122.165 121.223 -0.254 0.000 2.079 378 L HA -0.218 4.123 4.340 0.001 0.000 0.210 378 L C 2.305 179.111 176.870 -0.107 0.000 1.081 378 L CA 0.625 55.365 54.840 -0.166 0.000 0.752 378 L CB -0.443 41.519 42.059 -0.163 0.000 0.896 378 L HN 0.216 nan 8.230 nan 0.000 0.433 379 I N -0.036 120.470 120.570 -0.108 0.000 2.439 379 I HA -0.203 3.968 4.170 0.001 0.000 0.251 379 I C 2.494 178.643 176.117 0.053 0.000 1.139 379 I CA 1.324 62.614 61.300 -0.016 0.000 1.438 379 I CB -0.935 37.068 38.000 0.006 0.000 1.085 379 I HN 0.204 nan 8.210 nan 0.000 0.427 380 K N 1.545 121.984 120.400 0.066 0.000 2.062 380 K HA -0.081 4.239 4.320 0.001 0.000 0.205 380 K C 1.671 178.317 176.600 0.078 0.000 1.051 380 K CA 1.153 57.516 56.287 0.127 0.000 0.941 380 K CB -0.009 32.649 32.500 0.263 0.000 0.719 380 K HN 0.274 nan 8.250 nan 0.000 0.440 381 E N 0.353 120.565 120.200 0.019 0.000 2.463 381 E HA 0.009 4.360 4.350 0.001 0.000 0.191 381 E C -0.421 176.180 176.600 0.001 0.000 1.083 381 E CA 0.043 56.446 56.400 0.004 0.000 0.872 381 E CB 0.175 29.850 29.700 -0.042 0.000 0.966 381 E HN 0.168 nan 8.360 nan 0.000 0.491 382 K N -1.059 119.347 120.400 0.011 0.000 3.209 382 K HA -0.212 4.108 4.320 0.001 0.000 0.289 382 K C 0.852 177.451 176.600 -0.003 0.000 1.191 382 K CA 0.388 56.683 56.287 0.013 0.000 0.851 382 K CB -1.764 30.749 32.500 0.020 0.000 1.242 382 K HN 0.039 nan 8.250 nan 0.000 0.480 383 V N 0.158 120.058 119.914 -0.023 0.000 2.453 383 V HA -0.049 4.072 4.120 0.001 0.000 0.247 383 V C 1.261 177.337 176.094 -0.029 0.000 1.048 383 V CA 1.905 64.186 62.300 -0.032 0.000 1.049 383 V CB -0.640 31.151 31.823 -0.055 0.000 0.672 383 V HN 0.442 nan 8.190 nan 0.000 0.457 384 I N -2.997 117.555 120.570 -0.030 0.000 3.174 384 I HA 0.710 4.881 4.170 0.001 0.000 0.313 384 I C -0.128 175.993 176.117 0.006 0.000 1.155 384 I CA -0.772 60.517 61.300 -0.019 0.000 0.977 384 I CB 2.086 40.064 38.000 -0.036 0.000 1.248 384 I HN -0.029 nan 8.210 nan 0.000 0.453 385 S N 0.617 116.331 115.700 0.024 0.000 2.646 385 S HA 0.322 4.792 4.470 0.001 0.000 0.276 385 S C 0.818 175.477 174.600 0.099 0.000 1.222 385 S CA 0.055 58.288 58.200 0.056 0.000 1.014 385 S CB 1.398 64.627 63.200 0.050 0.000 0.991 385 S HN 0.742 nan 8.310 nan 0.000 0.533 386 T N 2.092 116.738 114.554 0.153 0.000 2.665 386 T HA -0.162 4.189 4.350 0.001 0.000 0.268 386 T C 1.740 176.579 174.700 0.232 0.000 1.035 386 T CA 1.677 63.938 62.100 0.268 0.000 1.151 386 T CB -0.461 68.536 68.868 0.216 0.000 0.862 386 T HN 0.688 nan 8.240 nan 0.000 0.438 387 K N 0.370 120.850 120.400 0.134 0.000 2.074 387 K HA -0.126 4.194 4.320 0.001 0.000 0.209 387 K C 2.158 178.817 176.600 0.098 0.000 1.048 387 K CA 1.270 57.618 56.287 0.101 0.000 0.926 387 K CB -0.229 32.309 32.500 0.063 0.000 0.713 387 K HN 0.255 nan 8.250 nan 0.000 0.444 388 I N 0.381 120.998 120.570 0.078 0.000 2.286 388 I HA -0.110 4.060 4.170 0.001 0.000 0.245 388 I C 2.526 178.669 176.117 0.044 0.000 1.104 388 I CA 1.237 62.565 61.300 0.047 0.000 1.397 388 I CB -1.796 36.217 38.000 0.020 0.000 1.072 388 I HN 0.244 nan 8.210 nan 0.000 0.417 389 G N 1.122 109.956 108.800 0.056 0.000 2.469 389 G HA2 -0.285 3.675 3.960 0.001 0.000 0.219 389 G HA3 -0.285 3.675 3.960 0.001 0.000 0.219 389 G C 1.818 176.783 174.900 0.109 0.000 1.150 389 G CA 0.698 45.783 45.100 -0.025 0.000 0.763 389 G HN 0.347 nan 8.290 nan 0.000 0.561 390 K N -0.031 120.543 120.400 0.290 0.000 2.288 390 K HA 0.048 4.368 4.320 0.001 0.000 0.201 390 K C 2.360 179.050 176.600 0.150 0.000 1.048 390 K CA 0.738 57.205 56.287 0.299 0.000 0.956 390 K CB 0.032 32.675 32.500 0.238 0.000 0.746 390 K HN 0.393 nan 8.250 nan 0.000 0.461 391 E N 0.135 120.392 120.200 0.094 0.000 2.086 391 E HA -0.122 4.228 4.350 0.001 0.000 0.190 391 E C 2.024 178.642 176.600 0.031 0.000 0.975 391 E CA 1.186 57.618 56.400 0.053 0.000 0.813 391 E CB 0.231 29.953 29.700 0.036 0.000 0.768 391 E HN 0.186 nan 8.360 nan 0.000 0.457 392 V N -0.447 119.474 119.914 0.012 0.000 2.548 392 V HA -0.137 3.984 4.120 0.001 0.000 0.249 392 V C 2.203 178.288 176.094 -0.014 0.000 1.055 392 V CA 1.104 63.393 62.300 -0.019 0.000 1.065 392 V CB -0.495 31.296 31.823 -0.054 0.000 0.681 392 V HN 0.170 nan 8.190 nan 0.000 0.462 393 I N -0.066 120.509 120.570 0.009 0.000 2.286 393 I HA -0.207 3.964 4.170 0.001 0.000 0.248 393 I C 2.769 178.918 176.117 0.052 0.000 1.115 393 I CA 1.715 63.038 61.300 0.038 0.000 1.392 393 I CB -0.180 37.893 38.000 0.122 0.000 1.065 393 I HN 0.256 nan 8.210 nan 0.000 0.418 394 K N 0.092 120.527 120.400 0.059 0.000 2.152 394 K HA -0.237 4.084 4.320 0.001 0.000 0.206 394 K C 1.950 178.566 176.600 0.026 0.000 1.048 394 K CA 1.504 57.818 56.287 0.045 0.000 0.933 394 K CB -0.028 32.499 32.500 0.044 0.000 0.721 394 K HN 0.444 nan 8.250 nan 0.000 0.447 395 E N -0.149 120.060 120.200 0.015 0.000 2.276 395 E HA 0.003 4.354 4.350 0.001 0.000 0.193 395 E C 1.927 178.524 176.600 -0.006 0.000 0.983 395 E CA 0.027 56.428 56.400 0.003 0.000 0.861 395 E CB 0.208 29.905 29.700 -0.005 0.000 0.817 395 E HN 0.240 nan 8.360 nan 0.000 0.485 396 M N 0.161 119.755 119.600 -0.010 0.000 2.082 396 M HA -0.215 4.265 4.480 0.001 0.000 0.258 396 M C 2.327 178.636 176.300 0.016 0.000 1.069 396 M CA 1.372 56.663 55.300 -0.015 0.000 1.102 396 M CB -0.185 32.408 32.600 -0.012 0.000 1.336 396 M HN 0.034 nan 8.290 nan 0.000 0.404 397 V N -0.045 119.886 119.914 0.029 0.000 2.295 397 V HA -0.271 3.850 4.120 0.001 0.000 0.246 397 V C 2.197 178.306 176.094 0.025 0.000 1.049 397 V CA 2.190 64.511 62.300 0.034 0.000 1.024 397 V CB -0.545 31.298 31.823 0.033 0.000 0.648 397 V HN 0.441 nan 8.190 nan 0.000 0.447 398 E N 0.002 120.212 120.200 0.017 0.000 2.110 398 E HA -0.177 4.173 4.350 0.001 0.000 0.193 398 E C 2.233 178.839 176.600 0.010 0.000 0.988 398 E CA 2.031 58.439 56.400 0.013 0.000 0.804 398 E CB -0.149 29.557 29.700 0.010 0.000 0.745 398 E HN 0.818 nan 8.360 nan 0.000 0.458 399 T N -5.276 109.280 114.554 0.004 0.000 3.156 399 T HA 0.372 4.723 4.350 0.001 0.000 0.236 399 T C 1.583 176.285 174.700 0.004 0.000 0.978 399 T CA 0.777 62.877 62.100 -0.001 0.000 1.240 399 T CB 0.421 69.281 68.868 -0.013 0.000 0.951 399 T HN 0.272 nan 8.240 nan 0.000 0.420 400 G N 1.187 109.985 108.800 -0.004 0.000 2.227 400 G HA2 -0.089 3.871 3.960 0.001 0.000 0.168 400 G HA3 -0.089 3.871 3.960 0.001 0.000 0.168 400 G C -0.105 174.760 174.900 -0.059 0.000 1.006 400 G CA -0.188 44.916 45.100 0.007 0.000 0.684 400 G HN 0.723 nan 8.290 nan 0.000 0.489 401 K N 1.819 122.165 120.400 -0.090 0.000 2.202 401 K HA 0.498 4.819 4.320 0.001 0.000 0.264 401 K C 0.858 177.293 176.600 -0.275 0.000 1.010 401 K CA 0.238 56.439 56.287 -0.144 0.000 0.940 401 K CB 0.535 32.980 32.500 -0.091 0.000 0.983 401 K HN 0.199 nan 8.250 nan 0.000 0.475 402 T N 2.581 116.930 114.554 -0.341 0.000 2.906 402 T HA -0.025 4.325 4.350 0.001 0.000 0.320 402 T C -1.512 173.044 174.700 -0.239 0.000 1.088 402 T CA -1.314 60.531 62.100 -0.425 0.000 1.120 402 T CB 0.186 68.903 68.868 -0.251 0.000 1.000 402 T HN 0.446 nan 8.240 nan 0.000 0.550 403 P HA -0.188 nan 4.420 nan 0.000 0.215 403 P C 1.838 179.069 177.300 -0.116 0.000 1.157 403 P CA 1.630 64.647 63.100 -0.138 0.000 0.874 403 P CB -0.217 31.404 31.700 -0.133 0.000 0.790 404 S N -0.814 114.822 115.700 -0.107 0.000 2.423 404 S HA -0.186 4.285 4.470 0.001 0.000 0.231 404 S C 2.229 176.784 174.600 -0.075 0.000 1.014 404 S CA 0.763 58.912 58.200 -0.085 0.000 0.965 404 S CB -1.162 61.993 63.200 -0.074 0.000 0.785 404 S HN 0.155 nan 8.310 nan 0.000 0.495 405 Q N 1.066 120.814 119.800 -0.087 0.000 1.993 405 Q HA -0.059 4.281 4.340 0.001 0.000 0.202 405 Q C 2.309 178.271 176.000 -0.063 0.000 0.984 405 Q CA 2.013 57.772 55.803 -0.074 0.000 0.837 405 Q CB -0.437 28.248 28.738 -0.088 0.000 0.902 405 Q HN 0.883 nan 8.270 nan 0.000 0.423 406 I N -2.255 118.273 120.570 -0.070 0.000 3.111 406 I HA -0.087 4.084 4.170 0.001 0.000 0.272 406 I C 2.023 178.112 176.117 -0.048 0.000 1.268 406 I CA 0.217 61.484 61.300 -0.055 0.000 1.467 406 I CB -0.250 37.718 38.000 -0.053 0.000 1.087 406 I HN -0.064 nan 8.210 nan 0.000 0.467 407 V N 1.741 121.622 119.914 -0.056 0.000 2.307 407 V HA -0.256 3.865 4.120 0.001 0.000 0.245 407 V C 2.671 178.742 176.094 -0.039 0.000 1.045 407 V CA 2.376 64.646 62.300 -0.049 0.000 1.024 407 V CB -0.346 31.441 31.823 -0.060 0.000 0.651 407 V HN 0.524 nan 8.190 nan 0.000 0.449 408 E N -0.123 120.054 120.200 -0.039 0.000 2.028 408 E HA -0.226 4.125 4.350 0.001 0.000 0.190 408 E C 2.158 178.742 176.600 -0.027 0.000 0.984 408 E CA 1.243 57.624 56.400 -0.031 0.000 0.800 408 E CB -0.120 29.561 29.700 -0.031 0.000 0.758 408 E HN 0.633 nan 8.360 nan 0.000 0.448 409 E N -0.093 120.090 120.200 -0.029 0.000 2.284 409 E HA -0.192 4.158 4.350 0.001 0.000 0.200 409 E C 1.064 177.652 176.600 -0.020 0.000 1.008 409 E CA 0.957 57.343 56.400 -0.024 0.000 0.829 409 E CB 0.129 29.813 29.700 -0.026 0.000 0.744 409 E HN 0.065 nan 8.360 nan 0.000 0.491 410 K N -0.968 119.420 120.400 -0.021 0.000 2.533 410 K HA 0.186 4.507 4.320 0.001 0.000 0.202 410 K C -0.371 176.220 176.600 -0.015 0.000 1.096 410 K CA 0.324 56.601 56.287 -0.016 0.000 1.056 410 K CB 1.819 34.309 32.500 -0.016 0.000 0.890 410 K HN 0.160 nan 8.250 nan 0.000 0.552 411 G N 2.523 111.312 108.800 -0.017 0.000 2.850 411 G HA2 -0.192 3.769 3.960 0.001 0.000 0.686 411 G HA3 -0.192 3.769 3.960 0.001 0.000 0.686 411 G C -0.324 174.566 174.900 -0.017 0.000 1.164 411 G CA -0.442 44.649 45.100 -0.016 0.000 0.826 411 G HN 0.104 nan 8.290 nan 0.000 0.586 412 L N 0.000 121.212 121.223 -0.018 0.000 2.949 412 L HA 0.000 4.341 4.340 0.001 0.000 0.249 412 L CA 0.000 54.827 54.840 -0.021 0.000 0.813 412 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 412 L HN 0.000 nan 8.230 nan 0.000 0.502