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 3oc4_1_B DATA FIRST_RESID -2 DATA SEQUENCE SLXXKIVIIG ASFAGISAAI ASRKKYPQAE ISLIDKQATV GYLSGXXXXX DATA SEQUENCE XXXXXXXXXX ARYITEEELR RQKIQLLLNR EVVAXDVENQ LIAWTRKEEQ DATA SEQUENCE QWYSYDKLIL ATGASQFSTQ IRGSQTEKLL KYKFXXXXXX AVPLLENSQT DATA SEQUENCE VAVIGAGPIG XEAIDFLVKX KKTVHVFESL ENLLPKYFDK EXVAEVQKSL DATA SEQUENCE EKQAVIFHFE ETVLGIEETA NGIVLETSEQ EISCDSGIFA LNLHPQLAYL DATA SEQUENCE DKKIQRNLDQ TIAVDAYLQT SVPNVFAIGD CISVXNEPVA ETFYAPLVNN DATA SEQUENCE AVRTGLVVAN NLEEKTHRFI GSLRTXGTKV GDYYLASTGL TETEGLFFPQ DATA SEQUENCE TLASIIVRQP APPXXHGTEI LGKLIYDKVT QRVLGAQLCS KNNCLEKINT DATA SEQUENCE LALSIQTGQT LTDLLQKDYF YQPSLTNIYD ITNLXGASAY WRENDE 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 -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.578 174.600 -0.037 0.000 1.055 -2 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 -2 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 3 I N 4.317 124.918 120.570 0.050 0.000 2.321 3 I HA 0.321 4.490 4.170 -0.000 0.000 0.291 3 I C -0.309 175.881 176.117 0.122 0.000 0.998 3 I CA -1.108 60.234 61.300 0.070 0.000 1.227 3 I CB 1.756 39.766 38.000 0.017 0.000 1.368 3 I HN 0.161 nan 8.210 nan 0.000 0.466 4 V N 7.843 127.843 119.914 0.143 0.000 2.448 4 V HA 0.453 4.573 4.120 -0.000 0.000 0.295 4 V C -0.057 176.081 176.094 0.075 0.000 1.025 4 V CA -0.463 61.937 62.300 0.167 0.000 0.859 4 V CB 1.833 33.833 31.823 0.295 0.000 0.988 4 V HN 0.475 nan 8.190 nan 0.000 0.431 5 I N 5.928 126.532 120.570 0.056 0.000 2.354 5 I HA 0.455 4.625 4.170 -0.000 0.000 0.286 5 I C -0.368 175.745 176.117 -0.006 0.000 1.007 5 I CA -0.302 61.011 61.300 0.023 0.000 1.167 5 I CB 1.542 39.555 38.000 0.021 0.000 1.320 5 I HN 0.430 nan 8.210 nan 0.000 0.458 6 I N 6.180 126.741 120.570 -0.015 0.000 2.301 6 I HA 0.523 4.693 4.170 -0.000 0.000 0.292 6 I C 0.613 176.712 176.117 -0.030 0.000 1.046 6 I CA -0.147 61.119 61.300 -0.057 0.000 1.282 6 I CB 0.806 38.736 38.000 -0.117 0.000 1.409 6 I HN 0.851 nan 8.210 nan 0.000 0.484 7 G N 4.713 113.484 108.800 -0.049 0.000 3.353 7 G HA2 0.127 4.087 3.960 -0.000 0.000 0.682 7 G HA3 0.127 4.087 3.960 -0.000 0.000 0.682 7 G C -0.419 174.464 174.900 -0.027 0.000 1.192 7 G CA -0.433 44.653 45.100 -0.023 0.000 1.111 7 G HN 0.913 nan 8.290 nan 0.000 0.493 8 A N 1.948 124.737 122.820 -0.053 0.000 3.157 8 A HA 0.782 5.102 4.320 -0.000 0.000 0.276 8 A C 1.073 178.615 177.584 -0.070 0.000 1.524 8 A CA 0.852 52.852 52.037 -0.063 0.000 1.236 8 A CB -0.375 18.569 19.000 -0.093 0.000 1.173 8 A HN 2.087 nan 8.150 nan 0.000 0.595 9 S N -0.701 114.972 115.700 -0.045 0.000 2.993 9 S HA 0.691 5.161 4.470 -0.000 0.000 0.281 9 S C 0.686 175.257 174.600 -0.048 0.000 1.033 9 S CA -0.422 57.717 58.200 -0.102 0.000 0.950 9 S CB -0.161 62.998 63.200 -0.068 0.000 1.349 9 S HN 0.147 nan 8.310 nan 0.000 0.652 10 F N 1.596 121.600 119.950 0.092 0.000 2.069 10 F HA 0.040 4.566 4.527 -0.000 0.000 0.298 10 F C 3.019 178.827 175.800 0.014 0.000 1.113 10 F CA 1.632 59.642 58.000 0.016 0.000 1.214 10 F CB -1.255 37.709 39.000 -0.060 0.000 0.978 10 F HN 0.663 nan 8.300 nan 0.000 0.474 11 A N 0.340 123.285 122.820 0.209 0.000 1.845 11 A HA -0.049 4.271 4.320 -0.000 0.000 0.215 11 A C 2.594 180.222 177.584 0.073 0.000 1.195 11 A CA 1.944 54.044 52.037 0.106 0.000 0.616 11 A CB -1.645 17.402 19.000 0.079 0.000 0.832 11 A HN 0.411 nan 8.150 nan 0.000 0.443 12 G N -0.113 108.724 108.800 0.061 0.000 2.440 12 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 12 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 12 G C 1.523 176.444 174.900 0.034 0.000 1.154 12 G CA 1.195 46.317 45.100 0.037 0.000 0.767 12 G HN 0.482 nan 8.290 nan 0.000 0.552 13 I N 0.889 121.487 120.570 0.046 0.000 2.315 13 I HA -0.141 4.029 4.170 -0.000 0.000 0.248 13 I C 2.944 179.099 176.117 0.064 0.000 1.117 13 I CA 0.910 62.239 61.300 0.049 0.000 1.404 13 I CB -0.131 37.917 38.000 0.080 0.000 1.071 13 I HN 0.098 nan 8.210 nan 0.000 0.419 14 S N 0.796 116.544 115.700 0.079 0.000 2.368 14 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 14 S C 2.285 176.909 174.600 0.040 0.000 1.029 14 S CA 1.295 59.534 58.200 0.064 0.000 0.988 14 S CB -0.289 62.949 63.200 0.064 0.000 0.838 14 S HN 0.536 nan 8.310 nan 0.000 0.462 15 A N 1.685 124.525 122.820 0.033 0.000 1.902 15 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 15 A C 2.354 179.955 177.584 0.030 0.000 1.181 15 A CA 1.733 53.782 52.037 0.021 0.000 0.623 15 A CB -1.141 17.868 19.000 0.015 0.000 0.818 15 A HN 0.505 nan 8.150 nan 0.000 0.443 16 A N 0.259 123.098 122.820 0.031 0.000 1.865 16 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 16 A C 2.027 179.633 177.584 0.037 0.000 1.191 16 A CA 1.722 53.779 52.037 0.033 0.000 0.623 16 A CB -0.593 18.419 19.000 0.021 0.000 0.826 16 A HN 0.403 nan 8.150 nan 0.000 0.444 17 I N 0.129 120.719 120.570 0.033 0.000 2.118 17 I HA -0.294 3.876 4.170 -0.000 0.000 0.241 17 I C 2.951 179.085 176.117 0.028 0.000 1.070 17 I CA 1.729 63.047 61.300 0.030 0.000 1.327 17 I CB -1.722 36.298 38.000 0.033 0.000 1.034 17 I HN 0.378 nan 8.210 nan 0.000 0.405 18 A N 0.000 122.836 122.820 0.026 0.000 1.972 18 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 18 A C 2.569 180.167 177.584 0.023 0.000 1.169 18 A CA 1.962 54.009 52.037 0.017 0.000 0.635 18 A CB -0.676 18.332 19.000 0.013 0.000 0.810 18 A HN 0.432 nan 8.150 nan 0.000 0.446 19 S N -0.942 114.792 115.700 0.056 0.000 2.402 19 S HA -0.103 4.367 4.470 -0.000 0.000 0.229 19 S C 2.072 176.759 174.600 0.145 0.000 1.021 19 S CA 1.420 59.697 58.200 0.129 0.000 0.974 19 S CB -0.236 63.043 63.200 0.131 0.000 0.800 19 S HN 0.648 nan 8.310 nan 0.000 0.484 20 R N 2.038 122.589 120.500 0.086 0.000 2.066 20 R HA 0.016 4.356 4.340 -0.000 0.000 0.232 20 R C 2.016 178.342 176.300 0.043 0.000 1.131 20 R CA 1.391 57.536 56.100 0.075 0.000 0.955 20 R CB -0.239 30.090 30.300 0.048 0.000 0.851 20 R HN 0.086 nan 8.270 nan 0.000 0.432 21 K N 0.701 121.108 120.400 0.012 0.000 2.044 21 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 21 K C 2.029 178.588 176.600 -0.068 0.000 1.049 21 K CA 1.875 58.151 56.287 -0.019 0.000 0.927 21 K CB -0.328 32.158 32.500 -0.022 0.000 0.713 21 K HN 0.260 nan 8.250 nan 0.000 0.443 22 K N -0.364 119.956 120.400 -0.134 0.000 2.217 22 K HA -0.083 4.237 4.320 -0.000 0.000 0.202 22 K C -0.103 176.188 176.600 -0.515 0.000 1.051 22 K CA 0.810 56.883 56.287 -0.358 0.000 0.952 22 K CB 0.263 32.454 32.500 -0.516 0.000 0.736 22 K HN 0.023 nan 8.250 nan 0.000 0.453 23 Y N 0.568 120.873 120.300 0.009 0.000 2.787 23 Y HA 0.252 4.802 4.550 -0.000 0.000 0.352 23 Y C -1.998 173.910 175.900 0.012 0.000 1.027 23 Y CA -2.573 55.534 58.100 0.011 0.000 1.219 23 Y CB 1.574 40.041 38.460 0.011 0.000 1.110 23 Y HN 0.067 nan 8.280 nan 0.000 0.614 24 P HA -0.140 nan 4.420 nan 0.000 0.222 24 P C 0.227 177.576 177.300 0.081 0.000 1.147 24 P CA 1.273 64.418 63.100 0.076 0.000 0.790 24 P CB 0.653 32.379 31.700 0.043 0.000 0.780 25 Q N -0.154 119.708 119.800 0.103 0.000 2.404 25 Q HA 0.521 4.861 4.340 -0.000 0.000 0.368 25 Q C -0.155 175.889 176.000 0.073 0.000 0.939 25 Q CA -0.416 55.433 55.803 0.076 0.000 1.099 25 Q CB 0.963 29.740 28.738 0.064 0.000 1.284 25 Q HN 0.128 nan 8.270 nan 0.000 0.421 26 A N 0.241 123.109 122.820 0.080 0.000 2.380 26 A HA 0.541 4.861 4.320 -0.000 0.000 0.315 26 A C -0.628 176.978 177.584 0.037 0.000 1.101 26 A CA -0.612 51.447 52.037 0.037 0.000 0.771 26 A CB 1.504 20.512 19.000 0.013 0.000 1.287 26 A HN 0.230 nan 8.150 nan 0.000 0.436 27 E N 1.389 121.602 120.200 0.022 0.000 2.152 27 E HA 0.467 4.816 4.350 -0.000 0.000 0.285 27 E C -1.234 175.401 176.600 0.059 0.000 1.043 27 E CA -0.028 56.398 56.400 0.044 0.000 0.839 27 E CB 0.379 30.103 29.700 0.039 0.000 1.069 27 E HN 0.502 nan 8.360 nan 0.000 0.399 28 I N 3.199 123.812 120.570 0.073 0.000 2.439 28 I HA 0.207 4.377 4.170 -0.000 0.000 0.285 28 I C -0.499 175.672 176.117 0.090 0.000 1.021 28 I CA -0.568 60.779 61.300 0.078 0.000 1.091 28 I CB 2.012 40.051 38.000 0.064 0.000 1.242 28 I HN 0.292 nan 8.210 nan 0.000 0.439 29 S N 6.379 122.152 115.700 0.122 0.000 2.454 29 S HA 0.584 5.054 4.470 -0.000 0.000 0.306 29 S C -0.754 173.870 174.600 0.039 0.000 1.100 29 S CA -0.471 57.793 58.200 0.106 0.000 1.087 29 S CB 1.815 65.155 63.200 0.234 0.000 1.019 29 S HN 0.348 nan 8.310 nan 0.000 0.480 30 L N 4.759 125.966 121.223 -0.026 0.000 2.298 30 L HA 0.607 4.947 4.340 -0.000 0.000 0.284 30 L C -1.149 175.639 176.870 -0.136 0.000 1.013 30 L CA -0.267 54.537 54.840 -0.059 0.000 0.824 30 L CB 0.488 42.513 42.059 -0.056 0.000 1.221 30 L HN 0.603 nan 8.230 nan 0.000 0.418 31 I N 4.434 124.912 120.570 -0.154 0.000 2.377 31 I HA 0.461 4.631 4.170 -0.000 0.000 0.293 31 I C -0.579 175.411 176.117 -0.212 0.000 0.987 31 I CA -0.426 60.719 61.300 -0.258 0.000 1.185 31 I CB 1.719 39.555 38.000 -0.274 0.000 1.341 31 I HN 0.512 nan 8.210 nan 0.000 0.455 32 D N 4.818 125.072 120.400 -0.245 0.000 2.837 32 D HA 0.122 4.762 4.640 -0.000 0.000 0.220 32 D C -0.035 176.151 176.300 -0.190 0.000 1.236 32 D CA -0.508 53.386 54.000 -0.177 0.000 0.838 32 D CB 2.266 42.986 40.800 -0.133 0.000 1.647 32 D HN 0.662 nan 8.370 nan 0.000 0.486 33 K N 1.314 121.633 120.400 -0.136 0.000 2.525 33 K HA 0.066 4.386 4.320 -0.000 0.000 0.192 33 K C 0.421 176.964 176.600 -0.094 0.000 1.029 33 K CA 0.241 56.458 56.287 -0.117 0.000 1.029 33 K CB 0.430 32.891 32.500 -0.065 0.000 0.814 33 K HN 0.209 nan 8.250 nan 0.000 0.503 34 Q N 0.141 119.886 119.800 -0.092 0.000 2.180 34 Q HA 0.306 4.646 4.340 -0.000 0.000 0.241 34 Q C 0.801 176.752 176.000 -0.082 0.000 0.970 34 Q CA 0.131 55.890 55.803 -0.073 0.000 0.919 34 Q CB 1.513 30.219 28.738 -0.054 0.000 1.222 34 Q HN 0.188 nan 8.270 nan 0.000 0.482 35 A N 0.388 123.170 122.820 -0.064 0.000 1.975 35 A HA 0.041 4.361 4.320 -0.000 0.000 0.215 35 A C 0.805 178.364 177.584 -0.042 0.000 1.170 35 A CA 1.443 53.444 52.037 -0.060 0.000 0.656 35 A CB 0.047 19.016 19.000 -0.052 0.000 0.821 35 A HN 0.714 nan 8.150 nan 0.000 0.449 36 T N -2.712 111.835 114.554 -0.012 0.000 2.901 36 T HA 0.631 4.981 4.350 -0.000 0.000 0.293 36 T C -0.695 174.012 174.700 0.013 0.000 1.084 36 T CA -0.125 61.996 62.100 0.035 0.000 1.008 36 T CB 1.492 70.475 68.868 0.192 0.000 1.170 36 T HN 0.996 nan 8.240 nan 0.000 0.509 37 V N -2.653 117.219 119.914 -0.070 0.000 2.971 37 V HA 0.917 5.037 4.120 -0.000 0.000 0.309 37 V C 0.599 176.450 176.094 -0.406 0.000 1.130 37 V CA -0.245 61.952 62.300 -0.172 0.000 0.964 37 V CB 0.858 32.576 31.823 -0.175 0.000 1.029 37 V HN 2.031 nan 8.190 nan 0.000 0.427 38 G N 0.991 109.470 108.800 -0.536 0.000 2.145 38 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.176 38 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.176 38 G C -0.724 173.555 174.900 -1.034 0.000 1.013 38 G CA 0.182 44.654 45.100 -1.046 0.000 0.689 38 G HN 1.148 nan 8.290 nan 0.000 0.506 39 Y N -1.115 119.001 120.300 -0.307 0.000 2.446 39 Y HA 0.768 5.318 4.550 -0.000 0.000 0.338 39 Y C 0.734 176.696 175.900 0.104 0.000 1.055 39 Y CA -1.169 56.885 58.100 -0.077 0.000 1.101 39 Y CB 1.441 39.861 38.460 -0.068 0.000 1.221 39 Y HN 0.187 nan 8.280 nan 0.000 0.460 40 L N 0.901 122.339 121.223 0.358 0.000 2.505 40 L HA 0.585 4.925 4.340 -0.000 0.000 0.226 40 L C 0.326 177.317 176.870 0.201 0.000 1.211 40 L CA 0.394 55.417 54.840 0.305 0.000 0.828 40 L CB 0.911 43.132 42.059 0.269 0.000 1.331 40 L HN 0.730 nan 8.230 nan 0.000 0.513 41 S N -1.830 113.971 115.700 0.168 0.000 2.683 41 S HA 0.804 5.274 4.470 -0.000 0.000 0.269 41 S C -0.865 173.769 174.600 0.057 0.000 1.165 41 S CA 0.008 58.269 58.200 0.100 0.000 0.840 41 S CB 0.939 64.195 63.200 0.094 0.000 1.169 41 S HN 1.333 nan 8.310 nan 0.000 0.490 59 R N -0.770 119.822 120.500 0.152 0.000 1.688 59 R HA -0.192 4.148 4.340 -0.000 0.000 0.399 59 R C -0.373 175.891 176.300 -0.059 0.000 1.219 59 R CA 1.421 57.409 56.100 -0.188 0.000 0.891 59 R CB -2.187 27.998 30.300 -0.192 0.000 2.839 59 R HN 1.618 nan 8.270 nan 0.000 0.493 60 Y N 2.672 122.905 120.300 -0.112 0.000 2.445 60 Y HA 0.600 5.150 4.550 -0.000 0.000 0.247 60 Y C 0.405 176.263 175.900 -0.070 0.000 1.129 60 Y CA -0.456 57.617 58.100 -0.046 0.000 1.251 60 Y CB 0.675 39.148 38.460 0.022 0.000 1.176 60 Y HN 0.327 nan 8.280 nan 0.000 0.522 61 I N 1.489 121.808 120.570 -0.418 0.000 2.731 61 I HA 0.369 4.539 4.170 -0.000 0.000 0.289 61 I C -0.724 175.169 176.117 -0.374 0.000 1.399 61 I CA -0.815 60.304 61.300 -0.300 0.000 1.048 61 I CB 1.785 39.630 38.000 -0.258 0.000 1.345 61 I HN 0.245 nan 8.210 nan 0.000 0.425 62 T N 2.205 116.617 114.554 -0.236 0.000 2.928 62 T HA 0.465 4.815 4.350 -0.000 0.000 0.284 62 T C 0.770 175.362 174.700 -0.180 0.000 1.008 62 T CA -0.498 61.469 62.100 -0.223 0.000 1.057 62 T CB 1.466 70.247 68.868 -0.145 0.000 1.018 62 T HN 0.667 nan 8.240 nan 0.000 0.493 63 E N 0.288 120.388 120.200 -0.168 0.000 2.153 63 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 63 E C 1.795 178.342 176.600 -0.089 0.000 0.988 63 E CA 0.611 56.936 56.400 -0.126 0.000 0.811 63 E CB 0.020 29.655 29.700 -0.108 0.000 0.746 63 E HN 0.643 nan 8.360 nan 0.000 0.466 64 E N 1.133 121.285 120.200 -0.081 0.000 2.153 64 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 64 E C 1.918 178.488 176.600 -0.051 0.000 0.988 64 E CA 0.809 57.175 56.400 -0.056 0.000 0.811 64 E CB 0.138 29.808 29.700 -0.050 0.000 0.746 64 E HN 0.199 nan 8.360 nan 0.000 0.466 65 E N 0.379 120.541 120.200 -0.063 0.000 2.028 65 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 65 E C 2.416 178.991 176.600 -0.042 0.000 0.984 65 E CA 0.463 56.833 56.400 -0.049 0.000 0.800 65 E CB -0.231 29.434 29.700 -0.058 0.000 0.758 65 E HN 0.281 nan 8.360 nan 0.000 0.448 66 L N 0.333 121.523 121.223 -0.056 0.000 2.131 66 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 66 L C 2.822 179.674 176.870 -0.031 0.000 1.092 66 L CA 1.027 55.841 54.840 -0.043 0.000 0.759 66 L CB -0.351 41.671 42.059 -0.062 0.000 0.903 66 L HN 0.047 nan 8.230 nan 0.000 0.435 67 R N 0.414 120.892 120.500 -0.037 0.000 2.081 67 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 67 R C 2.482 178.773 176.300 -0.015 0.000 1.131 67 R CA 1.303 57.388 56.100 -0.026 0.000 0.960 67 R CB -0.149 30.133 30.300 -0.031 0.000 0.856 67 R HN 0.179 nan 8.270 nan 0.000 0.436 68 R N 0.257 120.747 120.500 -0.017 0.000 2.237 68 R HA -0.084 4.256 4.340 -0.000 0.000 0.219 68 R C 0.998 177.296 176.300 -0.003 0.000 1.080 68 R CA 1.299 57.394 56.100 -0.009 0.000 0.995 68 R CB 0.161 30.454 30.300 -0.012 0.000 0.875 68 R HN 0.393 nan 8.270 nan 0.000 0.462 69 Q N 0.268 120.066 119.800 -0.002 0.000 2.222 69 Q HA 0.079 4.418 4.340 -0.000 0.000 0.206 69 Q C -0.664 175.344 176.000 0.013 0.000 0.877 69 Q CA -0.022 55.785 55.803 0.006 0.000 0.958 69 Q CB 0.645 29.387 28.738 0.007 0.000 1.075 69 Q HN 0.132 nan 8.270 nan 0.000 0.483 70 K N 1.059 121.465 120.400 0.010 0.000 3.244 70 K HA -0.157 4.163 4.320 -0.000 0.000 0.270 70 K C -0.841 175.772 176.600 0.022 0.000 1.016 70 K CA 0.336 56.634 56.287 0.017 0.000 0.754 70 K CB -0.922 31.593 32.500 0.025 0.000 1.326 70 K HN 0.219 nan 8.250 nan 0.000 0.465 71 I N 2.021 122.597 120.570 0.011 0.000 2.359 71 I HA 0.093 4.262 4.170 -0.000 0.000 0.284 71 I C 0.672 176.790 176.117 0.000 0.000 1.018 71 I CA -0.215 61.092 61.300 0.010 0.000 1.173 71 I CB 1.374 39.373 38.000 -0.001 0.000 1.326 71 I HN 0.178 nan 8.210 nan 0.000 0.462 72 Q N 5.829 125.638 119.800 0.016 0.000 2.276 72 Q HA 0.195 4.535 4.340 -0.000 0.000 0.267 72 Q C -0.435 175.544 176.000 -0.035 0.000 1.135 72 Q CA 0.229 56.037 55.803 0.008 0.000 0.910 72 Q CB 0.562 29.332 28.738 0.054 0.000 1.271 72 Q HN 0.475 nan 8.270 nan 0.000 0.417 73 L N 4.934 126.121 121.223 -0.061 0.000 2.295 73 L HA 0.196 4.536 4.340 -0.000 0.000 0.288 73 L C -0.463 176.319 176.870 -0.148 0.000 1.079 73 L CA -0.184 54.595 54.840 -0.102 0.000 0.830 73 L CB 0.368 42.369 42.059 -0.096 0.000 1.200 73 L HN 0.495 nan 8.230 nan 0.000 0.438 74 L N 6.342 127.431 121.223 -0.223 0.000 2.360 74 L HA 0.406 4.746 4.340 -0.000 0.000 0.265 74 L C -0.043 176.596 176.870 -0.384 0.000 1.066 74 L CA -0.238 54.392 54.840 -0.351 0.000 0.929 74 L CB 0.372 42.099 42.059 -0.554 0.000 1.306 74 L HN 0.516 nan 8.230 nan 0.000 0.434 75 L N 1.815 122.869 121.223 -0.283 0.000 2.448 75 L HA 0.378 4.718 4.340 -0.000 0.000 0.258 75 L C 0.743 177.451 176.870 -0.269 0.000 1.104 75 L CA -0.674 54.018 54.840 -0.247 0.000 0.800 75 L CB 0.331 42.293 42.059 -0.163 0.000 1.241 75 L HN 0.551 nan 8.230 nan 0.000 0.472 76 N N -0.435 118.139 118.700 -0.210 0.000 2.725 76 N HA -0.202 4.538 4.740 -0.000 0.000 0.249 76 N C -0.932 174.432 175.510 -0.243 0.000 1.103 76 N CA 0.655 53.597 53.050 -0.180 0.000 0.707 76 N CB -0.935 37.471 38.487 -0.135 0.000 1.043 76 N HN 0.479 nan 8.380 nan 0.000 0.553 77 R N 0.580 120.869 120.500 -0.351 0.000 2.476 77 R HA 0.352 4.692 4.340 -0.000 0.000 0.305 77 R C -0.777 175.357 176.300 -0.276 0.000 0.965 77 R CA -0.630 55.180 56.100 -0.482 0.000 0.867 77 R CB 1.879 31.469 30.300 -1.184 0.000 1.176 77 R HN 0.185 nan 8.270 nan 0.000 0.447 78 E N 3.376 123.514 120.200 -0.103 0.000 2.113 78 E HA 0.188 4.538 4.350 -0.000 0.000 0.273 78 E C -0.692 175.913 176.600 0.009 0.000 0.924 78 E CA -0.676 55.696 56.400 -0.047 0.000 0.764 78 E CB 1.440 31.133 29.700 -0.012 0.000 1.104 78 E HN 0.254 nan 8.360 nan 0.000 0.406 79 V N 5.524 125.393 119.914 -0.075 0.000 2.529 79 V HA -0.021 4.099 4.120 -0.000 0.000 0.292 79 V C 1.164 177.221 176.094 -0.062 0.000 1.028 79 V CA 0.286 62.508 62.300 -0.131 0.000 1.074 79 V CB 0.884 32.428 31.823 -0.464 0.000 0.958 79 V HN 0.708 nan 8.190 nan 0.000 0.481 80 V N 1.582 121.489 119.914 -0.013 0.000 3.604 80 V HA 0.833 4.953 4.120 -0.000 0.000 0.277 80 V C 0.452 176.603 176.094 0.095 0.000 1.399 80 V CA 0.679 63.020 62.300 0.068 0.000 1.034 80 V CB 0.027 31.858 31.823 0.013 0.000 0.824 80 V HN 0.995 nan 8.190 nan 0.000 0.439 84 V N 3.543 123.550 119.914 0.154 0.000 2.295 84 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 84 V C 2.428 178.566 176.094 0.074 0.000 1.049 84 V CA 1.726 64.116 62.300 0.150 0.000 1.024 84 V CB -0.205 31.683 31.823 0.109 0.000 0.648 84 V HN 0.586 nan 8.190 nan 0.000 0.447 85 E N 0.280 120.503 120.200 0.038 0.000 2.070 85 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 85 E C 1.696 178.277 176.600 -0.032 0.000 1.004 85 E CA 1.878 58.279 56.400 0.002 0.000 0.805 85 E CB -0.151 29.546 29.700 -0.004 0.000 0.744 85 E HN 0.715 nan 8.360 nan 0.000 0.451 86 N N -0.116 118.556 118.700 -0.048 0.000 2.280 86 N HA 0.026 4.766 4.740 -0.000 0.000 0.192 86 N C -0.782 174.622 175.510 -0.178 0.000 1.109 86 N CA -0.085 52.907 53.050 -0.098 0.000 0.855 86 N CB 0.543 38.971 38.487 -0.099 0.000 0.974 86 N HN 0.038 nan 8.380 nan 0.000 0.482 87 Q N 0.529 120.200 119.800 -0.216 0.000 2.457 87 Q HA -0.163 4.177 4.340 -0.000 0.000 0.333 87 Q C -1.252 174.316 176.000 -0.720 0.000 1.448 87 Q CA 0.523 55.925 55.803 -0.668 0.000 0.891 87 Q CB -1.506 26.741 28.738 -0.818 0.000 1.142 87 Q HN 0.449 nan 8.270 nan 0.000 0.375 88 L N 0.755 121.910 121.223 -0.113 0.000 2.376 88 L HA 0.810 5.149 4.340 -0.000 0.000 0.258 88 L C 0.056 177.182 176.870 0.427 0.000 1.013 88 L CA -1.320 53.624 54.840 0.174 0.000 0.822 88 L CB 1.868 44.067 42.059 0.234 0.000 1.388 88 L HN 0.284 nan 8.230 nan 0.000 0.413 89 I N -0.910 119.890 120.570 0.383 0.000 2.828 89 I HA 0.982 5.151 4.170 -0.000 0.000 0.302 89 I C -0.891 175.150 176.117 -0.126 0.000 1.101 89 I CA -0.747 60.675 61.300 0.204 0.000 1.031 89 I CB 2.323 40.451 38.000 0.212 0.000 1.231 89 I HN 0.589 nan 8.210 nan 0.000 0.427 90 A N 3.490 126.048 122.820 -0.437 0.000 2.371 90 A HA 0.846 5.166 4.320 -0.000 0.000 0.311 90 A C -1.577 175.743 177.584 -0.441 0.000 1.068 90 A CA -0.456 51.036 52.037 -0.908 0.000 0.744 90 A CB 0.973 18.859 19.000 -1.858 0.000 1.239 90 A HN 0.915 nan 8.150 nan 0.000 0.435 91 W N 0.228 121.311 121.300 -0.361 0.000 2.882 91 W HA 0.775 5.435 4.660 0.000 0.000 0.345 91 W C -0.928 175.470 176.519 -0.202 0.000 1.125 91 W CA -1.124 56.072 57.345 -0.249 0.000 1.167 91 W CB 0.645 29.976 29.460 -0.214 0.000 1.431 91 W HN 0.427 nan 8.180 nan 0.000 0.543 92 T N 3.485 118.170 114.554 0.219 0.000 2.801 92 T HA 0.366 4.716 4.350 -0.000 0.000 0.306 92 T C -0.693 174.091 174.700 0.140 0.000 1.020 92 T CA -0.594 61.586 62.100 0.133 0.000 0.948 92 T CB 0.115 69.013 68.868 0.051 0.000 0.962 92 T HN 0.444 nan 8.240 nan 0.000 0.465 93 R N 3.084 123.693 120.500 0.182 0.000 2.337 93 R HA 0.301 4.641 4.340 -0.000 0.000 0.319 93 R C -0.399 175.940 176.300 0.066 0.000 0.954 93 R CA -0.533 55.621 56.100 0.091 0.000 0.840 93 R CB 0.182 30.552 30.300 0.116 0.000 1.164 93 R HN 0.654 nan 8.270 nan 0.000 0.472 94 K N 3.477 123.896 120.400 0.031 0.000 3.162 94 K HA -0.193 4.127 4.320 -0.000 0.000 0.268 94 K C -0.755 175.864 176.600 0.033 0.000 1.062 94 K CA 1.180 57.482 56.287 0.026 0.000 0.769 94 K CB -1.016 31.499 32.500 0.026 0.000 1.274 94 K HN 0.924 nan 8.250 nan 0.000 0.478 95 E N -0.950 119.270 120.200 0.033 0.000 2.440 95 E HA -0.259 4.091 4.350 -0.000 0.000 0.246 95 E C -0.955 175.667 176.600 0.037 0.000 1.165 95 E CA 1.335 57.754 56.400 0.032 0.000 0.726 95 E CB -0.749 28.966 29.700 0.026 0.000 1.271 95 E HN 0.562 nan 8.360 nan 0.000 0.397 96 E N 0.519 120.747 120.200 0.047 0.000 2.302 96 E HA 0.226 4.576 4.350 -0.000 0.000 0.263 96 E C -0.569 176.055 176.600 0.039 0.000 0.897 96 E CA -0.432 55.996 56.400 0.047 0.000 0.809 96 E CB 1.577 31.309 29.700 0.054 0.000 1.270 96 E HN 0.104 nan 8.360 nan 0.000 0.410 97 Q N 1.926 121.728 119.800 0.003 0.000 2.421 97 Q HA 0.141 4.481 4.340 -0.000 0.000 0.255 97 Q C -0.447 175.461 176.000 -0.152 0.000 1.013 97 Q CA 0.539 56.284 55.803 -0.097 0.000 0.895 97 Q CB 1.057 29.726 28.738 -0.114 0.000 1.271 97 Q HN 0.446 nan 8.270 nan 0.000 0.460 98 Q N 0.960 120.494 119.800 -0.444 0.000 2.391 98 Q HA 0.384 4.724 4.340 -0.000 0.000 0.279 98 Q C -2.117 173.368 176.000 -0.858 0.000 1.028 98 Q CA -0.561 54.953 55.803 -0.481 0.000 0.836 98 Q CB 1.284 29.748 28.738 -0.456 0.000 1.414 98 Q HN 0.509 nan 8.270 nan 0.000 0.397 99 W N 1.810 122.869 121.300 -0.401 0.000 2.627 99 W HA 0.641 5.301 4.660 -0.000 0.000 0.339 99 W C -1.113 175.252 176.519 -0.255 0.000 1.058 99 W CA -0.418 56.736 57.345 -0.319 0.000 1.223 99 W CB 1.247 30.610 29.460 -0.162 0.000 1.389 99 W HN 0.518 nan 8.180 nan 0.000 0.541 100 Y N 1.545 121.757 120.300 -0.147 0.000 2.457 100 Y HA 0.488 5.038 4.550 -0.000 0.000 0.343 100 Y C 0.119 176.065 175.900 0.077 0.000 0.994 100 Y CA -1.278 56.776 58.100 -0.077 0.000 1.031 100 Y CB 1.787 40.172 38.460 -0.126 0.000 1.246 100 Y HN 0.423 nan 8.280 nan 0.000 0.449 101 S N 4.027 119.640 115.700 -0.146 0.000 2.722 101 S HA 0.837 5.307 4.470 -0.000 0.000 0.292 101 S C -1.372 173.194 174.600 -0.057 0.000 1.135 101 S CA -0.361 57.759 58.200 -0.134 0.000 1.003 101 S CB 1.887 64.972 63.200 -0.192 0.000 1.067 101 S HN 0.708 nan 8.310 nan 0.000 0.546 102 Y N -1.964 118.331 120.300 -0.008 0.000 2.581 102 Y HA 0.596 5.146 4.550 -0.000 0.000 0.337 102 Y C -0.426 175.488 175.900 0.023 0.000 1.108 102 Y CA -1.172 56.942 58.100 0.024 0.000 1.033 102 Y CB 0.405 38.927 38.460 0.104 0.000 1.318 102 Y HN 0.459 nan 8.280 nan 0.000 0.459 103 D N 1.017 121.563 120.400 0.244 0.000 2.259 103 D HA 0.100 4.740 4.640 -0.000 0.000 0.216 103 D C -0.427 176.072 176.300 0.331 0.000 0.961 103 D CA 1.145 55.248 54.000 0.171 0.000 0.878 103 D CB 0.419 41.257 40.800 0.064 0.000 1.009 103 D HN 0.438 nan 8.370 nan 0.000 0.490 104 K N 0.294 120.897 120.400 0.339 0.000 2.471 104 K HA 0.420 4.740 4.320 -0.000 0.000 0.252 104 K C -1.366 175.322 176.600 0.148 0.000 0.938 104 K CA -0.550 55.926 56.287 0.315 0.000 0.796 104 K CB 2.665 35.297 32.500 0.220 0.000 1.161 104 K HN -0.146 nan 8.250 nan 0.000 0.425 105 L N 4.771 125.959 121.223 -0.059 0.000 2.305 105 L HA 0.601 4.941 4.340 -0.000 0.000 0.284 105 L C -1.394 175.490 176.870 0.023 0.000 1.013 105 L CA -0.349 54.305 54.840 -0.309 0.000 0.819 105 L CB 0.898 42.330 42.059 -1.045 0.000 1.227 105 L HN 0.639 nan 8.230 nan 0.000 0.417 106 I N 6.422 127.021 120.570 0.048 0.000 2.354 106 I HA 0.291 4.461 4.170 -0.000 0.000 0.286 106 I C -0.636 175.525 176.117 0.073 0.000 1.007 106 I CA -0.532 60.834 61.300 0.110 0.000 1.167 106 I CB 1.245 39.290 38.000 0.075 0.000 1.320 106 I HN 0.433 nan 8.210 nan 0.000 0.458 107 L N 6.578 127.861 121.223 0.099 0.000 2.283 107 L HA 0.452 4.791 4.340 -0.000 0.000 0.287 107 L C 0.765 177.699 176.870 0.105 0.000 1.073 107 L CA -0.035 54.876 54.840 0.118 0.000 0.822 107 L CB 0.890 43.037 42.059 0.147 0.000 1.186 107 L HN 0.751 nan 8.230 nan 0.000 0.436 108 A N 1.789 124.667 122.820 0.095 0.000 2.674 108 A HA 0.298 4.618 4.320 -0.000 0.000 0.286 108 A C 0.604 178.244 177.584 0.094 0.000 0.980 108 A CA -0.402 51.685 52.037 0.084 0.000 1.028 108 A CB -0.004 19.032 19.000 0.059 0.000 1.199 108 A HN 0.651 nan 8.150 nan 0.000 0.499 109 T N -2.737 111.895 114.554 0.131 0.000 2.766 109 T HA 0.563 4.912 4.350 -0.000 0.000 0.295 109 T C 0.911 175.692 174.700 0.136 0.000 1.024 109 T CA 0.238 62.422 62.100 0.140 0.000 1.018 109 T CB 1.482 70.485 68.868 0.225 0.000 1.002 109 T HN 0.551 nan 8.240 nan 0.000 0.532 110 G N -0.487 108.394 108.800 0.135 0.000 3.194 110 G HA2 0.627 4.586 3.960 -0.000 0.000 0.160 110 G HA3 0.627 4.586 3.960 -0.000 0.000 0.160 110 G C -0.679 174.321 174.900 0.166 0.000 1.267 110 G CA -0.606 44.581 45.100 0.145 0.000 0.962 110 G HN 1.121 nan 8.290 nan 0.000 0.612 111 A N -0.646 122.273 122.820 0.164 0.000 2.256 111 A HA 0.706 5.026 4.320 -0.000 0.000 0.317 111 A C 0.205 177.892 177.584 0.171 0.000 1.318 111 A CA 0.062 52.204 52.037 0.176 0.000 0.894 111 A CB 1.339 20.436 19.000 0.163 0.000 1.165 111 A HN 0.505 nan 8.150 nan 0.000 0.525 112 S N 0.838 116.645 115.700 0.178 0.000 3.952 112 S HA 0.078 4.548 4.470 -0.000 0.000 0.211 112 S C 0.636 175.349 174.600 0.189 0.000 1.098 112 S CA -0.060 58.255 58.200 0.191 0.000 0.954 112 S CB -0.664 62.644 63.200 0.180 0.000 1.222 112 S HN 0.826 nan 8.310 nan 0.000 0.585 113 Q N 2.014 121.912 119.800 0.164 0.000 2.859 113 Q HA -0.072 4.267 4.340 -0.000 0.000 0.364 113 Q C -0.809 175.300 176.000 0.183 0.000 1.067 113 Q CA 0.326 56.216 55.803 0.146 0.000 1.162 113 Q CB -0.210 28.598 28.738 0.117 0.000 1.023 113 Q HN 0.285 nan 8.270 nan 0.000 0.415 114 F N 4.492 124.429 119.950 -0.022 0.000 2.424 114 F HA 0.448 4.975 4.527 -0.000 0.000 0.356 114 F C -0.675 175.078 175.800 -0.079 0.000 1.110 114 F CA -0.328 57.620 58.000 -0.086 0.000 1.161 114 F CB 0.608 39.478 39.000 -0.218 0.000 1.115 114 F HN 0.516 nan 8.300 nan 0.000 0.507 115 S N 4.097 119.434 115.700 -0.604 0.000 2.677 115 S HA 0.710 5.180 4.470 -0.000 0.000 0.283 115 S C -0.560 173.736 174.600 -0.507 0.000 1.159 115 S CA -0.674 57.218 58.200 -0.514 0.000 1.001 115 S CB 1.561 64.680 63.200 -0.136 0.000 1.032 115 S HN 0.869 nan 8.310 nan 0.000 0.487 116 T N 1.094 115.319 114.554 -0.549 0.000 2.893 116 T HA 0.327 4.677 4.350 -0.000 0.000 0.337 116 T C -0.702 173.886 174.700 -0.187 0.000 1.587 116 T CA -0.393 61.541 62.100 -0.278 0.000 1.066 116 T CB 2.037 70.740 68.868 -0.275 0.000 1.414 116 T HN 0.700 nan 8.240 nan 0.000 0.488 117 Q N 2.154 121.911 119.800 -0.072 0.000 2.320 117 Q HA 0.199 4.539 4.340 -0.000 0.000 0.201 117 Q C 0.299 176.283 176.000 -0.027 0.000 0.910 117 Q CA -0.117 55.655 55.803 -0.050 0.000 0.946 117 Q CB 0.100 28.823 28.738 -0.025 0.000 1.062 117 Q HN 0.535 nan 8.270 nan 0.000 0.503 118 I N 2.358 122.919 120.570 -0.014 0.000 2.598 118 I HA 0.029 4.199 4.170 -0.000 0.000 0.284 118 I C 0.429 176.546 176.117 0.001 0.000 1.140 118 I CA 0.473 61.781 61.300 0.013 0.000 1.420 118 I CB 0.212 38.249 38.000 0.063 0.000 1.387 118 I HN 0.072 nan 8.210 nan 0.000 0.553 119 R N 4.032 124.529 120.500 -0.004 0.000 2.489 119 R HA 0.323 4.663 4.340 -0.000 0.000 0.287 119 R C 1.172 177.472 176.300 -0.001 0.000 1.053 119 R CA 0.678 56.774 56.100 -0.007 0.000 1.036 119 R CB 0.225 30.517 30.300 -0.012 0.000 0.966 119 R HN 0.972 nan 8.270 nan 0.000 0.432 120 G N 1.424 110.225 108.800 0.003 0.000 2.148 120 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.254 120 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.254 120 G C 0.860 175.771 174.900 0.019 0.000 0.981 120 G CA 0.656 45.759 45.100 0.005 0.000 0.670 120 G HN 0.701 nan 8.290 nan 0.000 0.528 121 S N -0.731 114.996 115.700 0.046 0.000 2.500 121 S HA -0.064 4.406 4.470 -0.000 0.000 0.239 121 S C 1.848 176.487 174.600 0.064 0.000 0.989 121 S CA 1.538 59.796 58.200 0.097 0.000 0.951 121 S CB -0.029 63.280 63.200 0.182 0.000 0.759 121 S HN 0.453 nan 8.310 nan 0.000 0.523 122 Q N 1.634 121.458 119.800 0.040 0.000 2.488 122 Q HA 0.113 4.453 4.340 -0.000 0.000 0.211 122 Q C 0.343 176.314 176.000 -0.048 0.000 0.967 122 Q CA 0.432 56.231 55.803 -0.006 0.000 0.926 122 Q CB -1.077 27.664 28.738 0.005 0.000 0.992 122 Q HN 0.560 nan 8.270 nan 0.000 0.506 123 T N 2.403 116.936 114.554 -0.035 0.000 2.939 123 T HA -0.060 4.289 4.350 -0.000 0.000 0.312 123 T C 1.244 175.910 174.700 -0.057 0.000 1.064 123 T CA 0.173 62.252 62.100 -0.035 0.000 1.136 123 T CB 0.654 69.510 68.868 -0.021 0.000 1.035 123 T HN 0.167 nan 8.240 nan 0.000 0.538 124 E N 2.182 122.358 120.200 -0.040 0.000 2.347 124 E HA -0.054 4.296 4.350 -0.000 0.000 0.196 124 E C 1.489 178.073 176.600 -0.028 0.000 1.008 124 E CA 0.726 57.103 56.400 -0.039 0.000 0.852 124 E CB 0.069 29.757 29.700 -0.019 0.000 0.783 124 E HN 0.634 nan 8.360 nan 0.000 0.505 125 K N 0.515 120.903 120.400 -0.020 0.000 2.487 125 K HA 0.034 4.354 4.320 -0.000 0.000 0.192 125 K C 0.367 176.967 176.600 -0.001 0.000 1.027 125 K CA -0.073 56.211 56.287 -0.005 0.000 1.054 125 K CB 0.225 32.726 32.500 0.001 0.000 0.824 125 K HN -0.082 nan 8.250 nan 0.000 0.510 126 L N 1.830 123.040 121.223 -0.023 0.000 2.295 126 L HA 0.304 4.644 4.340 -0.000 0.000 0.281 126 L C -0.848 175.988 176.870 -0.056 0.000 1.018 126 L CA -0.497 54.335 54.840 -0.013 0.000 0.841 126 L CB 0.605 42.655 42.059 -0.016 0.000 1.218 126 L HN -0.069 nan 8.230 nan 0.000 0.424 127 L N 4.109 125.331 121.223 -0.002 0.000 2.395 127 L HA 0.380 4.720 4.340 -0.000 0.000 0.269 127 L C -0.009 176.879 176.870 0.030 0.000 1.133 127 L CA -0.650 54.189 54.840 -0.002 0.000 0.812 127 L CB 0.533 42.606 42.059 0.023 0.000 1.125 127 L HN 0.482 nan 8.230 nan 0.000 0.452 128 K N 2.260 122.669 120.400 0.014 0.000 2.293 128 K HA 0.262 4.582 4.320 -0.000 0.000 0.267 128 K C -0.822 175.937 176.600 0.263 0.000 1.010 128 K CA -0.283 56.069 56.287 0.109 0.000 0.875 128 K CB 0.690 33.132 32.500 -0.097 0.000 1.106 128 K HN 0.291 nan 8.250 nan 0.000 0.450 129 Y N 3.687 124.085 120.300 0.162 0.000 2.605 129 Y HA -0.148 4.402 4.550 -0.000 0.000 0.336 129 Y C 1.043 177.018 175.900 0.126 0.000 1.111 129 Y CA 0.707 58.876 58.100 0.114 0.000 1.422 129 Y CB 0.185 38.697 38.460 0.087 0.000 1.193 129 Y HN 0.807 nan 8.280 nan 0.000 0.526 130 K N 3.232 123.923 120.400 0.486 0.000 3.542 130 K HA -0.232 4.088 4.320 -0.000 0.000 0.243 130 K C -0.417 176.320 176.600 0.228 0.000 1.108 130 K CA 0.174 56.617 56.287 0.259 0.000 0.988 130 K CB -1.267 31.321 32.500 0.146 0.000 1.367 130 K HN 0.567 nan 8.250 nan 0.000 0.583 139 V N 2.246 122.222 119.914 0.103 0.000 2.572 139 V HA 0.149 4.269 4.120 -0.000 0.000 0.291 139 V C -0.523 175.593 176.094 0.037 0.000 1.039 139 V CA -0.394 61.944 62.300 0.063 0.000 1.055 139 V CB 0.739 32.605 31.823 0.072 0.000 0.969 139 V HN 0.400 nan 8.190 nan 0.000 0.482 140 P HA -0.211 nan 4.420 nan 0.000 0.215 140 P C 1.749 179.056 177.300 0.012 0.000 1.157 140 P CA 1.169 64.276 63.100 0.013 0.000 0.874 140 P CB 0.315 32.021 31.700 0.010 0.000 0.790 141 L N -0.917 120.316 121.223 0.017 0.000 2.131 141 L HA -0.103 4.236 4.340 -0.000 0.000 0.210 141 L C 2.516 179.395 176.870 0.015 0.000 1.092 141 L CA 1.611 56.460 54.840 0.015 0.000 0.759 141 L CB -1.174 40.896 42.059 0.019 0.000 0.903 141 L HN -0.162 nan 8.230 nan 0.000 0.435 142 L N -1.301 119.934 121.223 0.020 0.000 2.162 142 L HA -0.057 4.283 4.340 -0.000 0.000 0.205 142 L C 2.328 179.187 176.870 -0.019 0.000 1.086 142 L CA 0.771 55.618 54.840 0.011 0.000 0.778 142 L CB -0.436 41.646 42.059 0.039 0.000 0.928 142 L HN 0.247 nan 8.230 nan 0.000 0.446 143 E N 0.172 120.360 120.200 -0.019 0.000 2.274 143 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 143 E C 1.248 177.833 176.600 -0.025 0.000 0.996 143 E CA 0.646 57.025 56.400 -0.035 0.000 0.840 143 E CB 0.031 29.715 29.700 -0.028 0.000 0.772 143 E HN 0.417 nan 8.360 nan 0.000 0.491 144 N N -0.174 118.518 118.700 -0.013 0.000 2.412 144 N HA 0.021 4.761 4.740 -0.000 0.000 0.184 144 N C -0.420 175.085 175.510 -0.008 0.000 1.101 144 N CA 0.178 53.223 53.050 -0.009 0.000 0.881 144 N CB 0.620 39.105 38.487 -0.003 0.000 0.969 144 N HN -0.138 nan 8.380 nan 0.000 0.459 145 S N 0.035 115.730 115.700 -0.008 0.000 2.585 145 S HA 0.169 4.639 4.470 -0.000 0.000 0.277 145 S C 0.924 175.518 174.600 -0.011 0.000 1.241 145 S CA -0.466 57.733 58.200 -0.003 0.000 1.041 145 S CB 2.013 65.216 63.200 0.005 0.000 0.987 145 S HN 0.103 nan 8.310 nan 0.000 0.512 146 Q N 1.256 121.054 119.800 -0.003 0.000 2.353 146 Q HA 0.220 4.560 4.340 -0.000 0.000 0.240 146 Q C -0.298 175.702 176.000 0.000 0.000 0.868 146 Q CA 0.849 56.646 55.803 -0.009 0.000 0.944 146 Q CB 0.649 29.383 28.738 -0.005 0.000 1.104 146 Q HN 0.650 nan 8.270 nan 0.000 0.531 147 T N 0.823 115.392 114.554 0.025 0.000 2.864 147 T HA 0.620 4.970 4.350 -0.000 0.000 0.299 147 T C -1.187 173.557 174.700 0.074 0.000 1.011 147 T CA -0.492 61.644 62.100 0.060 0.000 0.975 147 T CB 1.549 70.480 68.868 0.105 0.000 0.962 147 T HN -0.117 nan 8.240 nan 0.000 0.448 148 V N 2.316 122.270 119.914 0.066 0.000 2.581 148 V HA 0.865 4.985 4.120 -0.000 0.000 0.303 148 V C 0.206 176.373 176.094 0.122 0.000 1.041 148 V CA -1.076 61.269 62.300 0.076 0.000 0.907 148 V CB 1.742 33.588 31.823 0.040 0.000 0.994 148 V HN 1.023 nan 8.190 nan 0.000 0.442 149 A N 3.644 126.561 122.820 0.160 0.000 2.312 149 A HA 0.850 5.170 4.320 -0.000 0.000 0.326 149 A C -0.753 176.954 177.584 0.205 0.000 1.172 149 A CA -0.528 51.657 52.037 0.248 0.000 0.821 149 A CB 1.365 20.564 19.000 0.332 0.000 1.166 149 A HN 0.721 nan 8.150 nan 0.000 0.493 150 V N 3.519 123.561 119.914 0.214 0.000 2.443 150 V HA 0.308 4.428 4.120 -0.000 0.000 0.293 150 V C -0.471 175.764 176.094 0.236 0.000 1.021 150 V CA -0.094 62.309 62.300 0.171 0.000 0.848 150 V CB 1.325 33.206 31.823 0.095 0.000 0.998 150 V HN 0.733 nan 8.190 nan 0.000 0.424 151 I N 4.810 125.495 120.570 0.193 0.000 2.287 151 I HA 0.700 4.870 4.170 -0.000 0.000 0.290 151 I C 0.735 176.857 176.117 0.008 0.000 1.069 151 I CA 0.030 61.426 61.300 0.160 0.000 1.237 151 I CB 1.005 39.077 38.000 0.120 0.000 1.418 151 I HN 0.870 nan 8.210 nan 0.000 0.481 152 G N 4.298 113.148 108.800 0.083 0.000 3.239 152 G HA2 0.152 4.112 3.960 -0.000 0.000 0.666 152 G HA3 0.152 4.112 3.960 -0.000 0.000 0.666 152 G C -0.330 174.640 174.900 0.115 0.000 1.313 152 G CA -0.344 44.789 45.100 0.056 0.000 1.001 152 G HN 0.776 nan 8.290 nan 0.000 0.573 153 A N 1.441 124.362 122.820 0.168 0.000 2.610 153 A HA 0.756 5.075 4.320 -0.000 0.000 0.286 153 A C 1.471 179.176 177.584 0.202 0.000 1.306 153 A CA 1.177 53.345 52.037 0.219 0.000 0.942 153 A CB -0.174 19.030 19.000 0.339 0.000 1.112 153 A HN 2.038 nan 8.150 nan 0.000 0.527 154 G N -0.011 108.885 108.800 0.160 0.000 2.516 154 G HA2 0.388 4.348 3.960 -0.000 0.000 0.276 154 G HA3 0.388 4.348 3.960 -0.000 0.000 0.276 154 G C -1.267 173.718 174.900 0.141 0.000 1.390 154 G CA -0.826 44.379 45.100 0.175 0.000 1.050 154 G HN 0.115 nan 8.290 nan 0.000 0.519 155 P HA -0.053 nan 4.420 nan 0.000 0.216 155 P C 1.897 179.209 177.300 0.020 0.000 1.150 155 P CA 0.854 63.972 63.100 0.029 0.000 0.837 155 P CB 0.108 31.788 31.700 -0.032 0.000 0.786 156 I N -1.347 119.233 120.570 0.017 0.000 2.252 156 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 156 I C 1.735 177.913 176.117 0.102 0.000 1.102 156 I CA 0.736 62.024 61.300 -0.020 0.000 1.385 156 I CB -1.250 36.733 38.000 -0.027 0.000 1.064 156 I HN -0.029 nan 8.210 nan 0.000 0.414 160 A N 1.655 124.691 122.820 0.361 0.000 1.877 160 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 160 A C 2.018 179.738 177.584 0.226 0.000 1.186 160 A CA 1.455 53.672 52.037 0.300 0.000 0.620 160 A CB -0.624 18.518 19.000 0.237 0.000 0.822 160 A HN 0.331 nan 8.150 nan 0.000 0.443 161 I N -0.267 120.399 120.570 0.160 0.000 2.163 161 I HA -0.294 3.876 4.170 -0.000 0.000 0.243 161 I C 2.313 178.488 176.117 0.096 0.000 1.085 161 I CA 2.032 63.385 61.300 0.088 0.000 1.347 161 I CB -0.510 37.532 38.000 0.069 0.000 1.044 161 I HN 0.447 nan 8.210 nan 0.000 0.408 162 D N 0.672 121.153 120.400 0.135 0.000 2.104 162 D HA -0.284 4.356 4.640 -0.000 0.000 0.194 162 D C 2.075 178.470 176.300 0.158 0.000 0.994 162 D CA 1.433 55.508 54.000 0.125 0.000 0.830 162 D CB -0.119 40.760 40.800 0.132 0.000 0.959 162 D HN 0.237 nan 8.370 nan 0.000 0.452 163 F N 0.799 120.772 119.950 0.039 0.000 2.069 163 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 163 F C 1.935 177.730 175.800 -0.007 0.000 1.113 163 F CA 1.381 59.394 58.000 0.021 0.000 1.214 163 F CB -0.570 38.441 39.000 0.020 0.000 0.978 163 F HN 0.020 nan 8.300 nan 0.000 0.474 164 L N -0.645 120.580 121.223 0.002 0.000 2.042 164 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 164 L C 2.367 179.161 176.870 -0.127 0.000 1.076 164 L CA 1.097 55.861 54.840 -0.127 0.000 0.749 164 L CB -0.926 41.114 42.059 -0.030 0.000 0.893 164 L HN 0.023 nan 8.230 nan 0.000 0.432 165 V N -0.659 119.215 119.914 -0.067 0.000 2.490 165 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 165 V C 1.605 177.652 176.094 -0.078 0.000 1.061 165 V CA 1.300 63.560 62.300 -0.066 0.000 1.064 165 V CB -0.540 31.263 31.823 -0.033 0.000 0.670 165 V HN 0.355 nan 8.190 nan 0.000 0.461 169 K N 1.234 121.575 120.400 -0.098 0.000 2.090 169 K HA 0.312 4.632 4.320 -0.000 0.000 0.250 169 K C 0.247 176.795 176.600 -0.087 0.000 1.004 169 K CA -0.266 55.971 56.287 -0.083 0.000 0.919 169 K CB 0.979 33.428 32.500 -0.085 0.000 1.045 169 K HN -0.135 nan 8.250 nan 0.000 0.471 170 T N 1.145 115.653 114.554 -0.076 0.000 2.806 170 T HA 0.330 4.680 4.350 -0.000 0.000 0.290 170 T C -0.289 174.331 174.700 -0.133 0.000 0.966 170 T CA -0.539 61.493 62.100 -0.113 0.000 1.060 170 T CB 0.682 69.501 68.868 -0.081 0.000 0.927 170 T HN 0.144 nan 8.240 nan 0.000 0.485 171 V N 4.715 124.485 119.914 -0.241 0.000 2.495 171 V HA 0.365 4.485 4.120 -0.000 0.000 0.298 171 V C -0.338 175.490 176.094 -0.443 0.000 1.031 171 V CA -0.967 61.184 62.300 -0.248 0.000 0.871 171 V CB 1.505 33.191 31.823 -0.228 0.000 0.988 171 V HN 0.825 nan 8.190 nan 0.000 0.432 172 H N 3.099 122.059 119.070 -0.183 0.000 2.541 172 H HA 0.517 5.073 4.556 -0.000 0.000 0.316 172 H C -0.888 174.210 175.328 -0.384 0.000 1.043 172 H CA -0.251 55.631 56.048 -0.276 0.000 1.232 172 H CB 2.120 31.840 29.762 -0.069 0.000 1.406 172 H HN 0.431 nan 8.280 nan 0.000 0.469 173 V N 5.755 125.356 119.914 -0.523 0.000 2.398 173 V HA 0.237 4.357 4.120 -0.000 0.000 0.286 173 V C -0.285 175.507 176.094 -0.504 0.000 1.026 173 V CA -0.593 61.467 62.300 -0.399 0.000 0.868 173 V CB 0.751 32.343 31.823 -0.385 0.000 0.982 173 V HN 0.456 nan 8.190 nan 0.000 0.443 174 F N 3.104 123.083 119.950 0.047 0.000 2.444 174 F HA 0.717 5.244 4.527 -0.000 0.000 0.342 174 F C 0.156 175.987 175.800 0.052 0.000 1.121 174 F CA -0.546 57.494 58.000 0.065 0.000 0.997 174 F CB 1.842 40.890 39.000 0.079 0.000 1.130 174 F HN 0.495 nan 8.300 nan 0.000 0.454 175 E N 0.843 121.166 120.200 0.206 0.000 2.287 175 E HA 0.368 4.718 4.350 -0.000 0.000 0.274 175 E C -0.391 176.371 176.600 0.270 0.000 0.896 175 E CA -0.319 56.227 56.400 0.242 0.000 0.788 175 E CB 1.725 31.623 29.700 0.330 0.000 1.244 175 E HN 0.367 nan 8.360 nan 0.000 0.408 176 S N 3.348 119.175 115.700 0.212 0.000 2.399 176 S HA 0.031 4.500 4.470 -0.000 0.000 0.231 176 S C 1.033 175.738 174.600 0.175 0.000 1.022 176 S CA 0.557 58.862 58.200 0.175 0.000 0.983 176 S CB -0.226 63.051 63.200 0.127 0.000 0.803 176 S HN 0.479 nan 8.310 nan 0.000 0.480 177 L N 0.920 122.253 121.223 0.184 0.000 2.543 177 L HA 0.209 4.549 4.340 -0.000 0.000 0.231 177 L C 1.600 178.562 176.870 0.152 0.000 1.194 177 L CA -0.275 54.646 54.840 0.134 0.000 0.823 177 L CB 0.169 42.281 42.059 0.089 0.000 1.374 177 L HN 0.073 nan 8.230 nan 0.000 0.507 178 E N 0.037 120.241 120.200 0.006 0.000 2.358 178 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 178 E C -0.372 175.850 176.600 -0.631 0.000 1.010 178 E CA 0.345 56.658 56.400 -0.146 0.000 0.856 178 E CB 0.084 29.711 29.700 -0.122 0.000 0.795 178 E HN 0.570 nan 8.360 nan 0.000 0.504 179 N N -0.069 118.209 118.700 -0.702 0.000 3.179 179 N HA 0.128 4.868 4.740 -0.000 0.000 0.250 179 N C -0.804 174.439 175.510 -0.445 0.000 1.507 179 N CA -0.814 51.503 53.050 -1.222 0.000 0.883 179 N CB 0.969 39.068 38.487 -0.648 0.000 1.435 179 N HN -0.106 nan 8.380 nan 0.000 0.532 180 L N -1.633 119.442 121.223 -0.246 0.000 2.461 180 L HA 0.388 4.728 4.340 -0.000 0.000 0.272 180 L C 0.897 177.835 176.870 0.113 0.000 1.197 180 L CA -0.372 54.536 54.840 0.113 0.000 0.836 180 L CB -0.467 41.622 42.059 0.049 0.000 1.105 180 L HN 0.676 nan 8.230 nan 0.000 0.477 181 L N 0.845 122.196 121.223 0.214 0.000 3.762 181 L HA -0.190 4.150 4.340 -0.000 0.000 0.460 181 L C -1.142 175.925 176.870 0.329 0.000 1.255 181 L CA -0.004 55.039 54.840 0.338 0.000 0.783 181 L CB -1.335 40.980 42.059 0.426 0.000 1.600 181 L HN 0.757 nan 8.230 nan 0.000 0.862 182 P HA -0.211 nan 4.420 nan 0.000 0.217 182 P C 1.119 178.421 177.300 0.002 0.000 1.148 182 P CA 1.370 64.516 63.100 0.077 0.000 0.828 182 P CB 0.111 31.849 31.700 0.063 0.000 0.783 183 K N -1.599 118.768 120.400 -0.055 0.000 2.487 183 K HA 0.007 4.327 4.320 -0.000 0.000 0.192 183 K C 1.195 177.446 176.600 -0.583 0.000 1.027 183 K CA 0.635 56.721 56.287 -0.336 0.000 1.054 183 K CB -0.099 32.124 32.500 -0.461 0.000 0.824 183 K HN 0.372 nan 8.250 nan 0.000 0.510 184 Y N -1.631 118.588 120.300 -0.135 0.000 2.452 184 Y HA 0.246 4.796 4.550 -0.000 0.000 0.262 184 Y C 0.294 175.744 175.900 -0.750 0.000 1.089 184 Y CA -0.447 57.406 58.100 -0.412 0.000 1.262 184 Y CB 0.757 38.979 38.460 -0.398 0.000 1.236 184 Y HN -0.193 nan 8.280 nan 0.000 0.512 185 F N -0.037 119.958 119.950 0.074 0.000 2.613 185 F HA 0.390 4.917 4.527 -0.000 0.000 0.310 185 F C -0.470 175.300 175.800 -0.050 0.000 1.085 185 F CA -1.570 56.432 58.000 0.003 0.000 0.945 185 F CB 1.286 40.278 39.000 -0.014 0.000 1.298 185 F HN -0.293 nan 8.300 nan 0.000 0.455 186 D N 1.006 121.485 120.400 0.131 0.000 2.294 186 D HA 0.172 4.812 4.640 -0.000 0.000 0.250 186 D C 0.984 177.281 176.300 -0.005 0.000 1.058 186 D CA -0.324 53.691 54.000 0.026 0.000 0.950 186 D CB 1.724 42.527 40.800 0.005 0.000 1.158 186 D HN 0.539 nan 8.370 nan 0.000 0.453 187 K N 0.530 120.886 120.400 -0.073 0.000 2.052 187 K HA -0.234 4.086 4.320 -0.000 0.000 0.215 187 K C 0.187 176.713 176.600 -0.123 0.000 1.053 187 K CA 1.582 57.787 56.287 -0.136 0.000 0.934 187 K CB 0.041 32.455 32.500 -0.142 0.000 0.717 187 K HN 0.404 nan 8.250 nan 0.000 0.450 191 A N 0.890 123.556 122.820 -0.257 0.000 1.917 191 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 191 A C 1.990 179.443 177.584 -0.218 0.000 1.182 191 A CA 2.464 54.370 52.037 -0.218 0.000 0.633 191 A CB -0.413 18.495 19.000 -0.153 0.000 0.819 191 A HN 0.589 nan 8.150 nan 0.000 0.448 192 E N -0.377 119.670 120.200 -0.256 0.000 2.208 192 E HA -0.055 4.294 4.350 -0.000 0.000 0.193 192 E C 2.139 178.529 176.600 -0.352 0.000 0.988 192 E CA 1.052 57.303 56.400 -0.249 0.000 0.828 192 E CB -0.414 29.146 29.700 -0.232 0.000 0.763 192 E HN 0.430 nan 8.360 nan 0.000 0.478 193 V N 1.154 120.751 119.914 -0.528 0.000 2.453 193 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 193 V C 2.577 178.550 176.094 -0.201 0.000 1.048 193 V CA 1.613 63.637 62.300 -0.459 0.000 1.049 193 V CB -0.416 31.108 31.823 -0.499 0.000 0.672 193 V HN 0.245 nan 8.190 nan 0.000 0.457 194 Q N 0.365 120.015 119.800 -0.250 0.000 2.050 194 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 194 Q C 2.316 178.285 176.000 -0.052 0.000 0.980 194 Q CA 1.805 57.451 55.803 -0.263 0.000 0.840 194 Q CB -0.049 28.453 28.738 -0.394 0.000 0.898 194 Q HN 0.590 nan 8.270 nan 0.000 0.424 195 K N -0.020 120.347 120.400 -0.055 0.000 2.097 195 K HA -0.132 4.187 4.320 -0.000 0.000 0.206 195 K C 2.313 178.944 176.600 0.051 0.000 1.049 195 K CA 1.266 57.560 56.287 0.011 0.000 0.933 195 K CB -0.258 32.238 32.500 -0.007 0.000 0.717 195 K HN 0.122 nan 8.250 nan 0.000 0.442 196 S N 1.237 116.970 115.700 0.055 0.000 2.370 196 S HA -0.114 4.356 4.470 -0.000 0.000 0.226 196 S C 1.889 176.548 174.600 0.099 0.000 1.033 196 S CA 1.055 59.319 58.200 0.107 0.000 1.011 196 S CB -0.138 63.185 63.200 0.206 0.000 0.852 196 S HN 0.229 nan 8.310 nan 0.000 0.457 197 L N 0.566 121.867 121.223 0.130 0.000 2.270 197 L HA 0.126 4.466 4.340 -0.000 0.000 0.210 197 L C 2.507 179.452 176.870 0.126 0.000 1.104 197 L CA 0.914 55.847 54.840 0.154 0.000 0.804 197 L CB -0.415 41.815 42.059 0.286 0.000 0.937 197 L HN 0.342 nan 8.230 nan 0.000 0.450 198 E N 0.389 120.694 120.200 0.176 0.000 2.338 198 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 198 E C 1.558 178.172 176.600 0.024 0.000 1.007 198 E CA 0.638 57.098 56.400 0.100 0.000 0.849 198 E CB 0.128 29.909 29.700 0.136 0.000 0.774 198 E HN 0.417 nan 8.360 nan 0.000 0.506 199 K N 0.280 120.698 120.400 0.030 0.000 2.444 199 K HA 0.024 4.344 4.320 -0.000 0.000 0.193 199 K C 0.908 177.503 176.600 -0.008 0.000 1.024 199 K CA 0.344 56.637 56.287 0.009 0.000 1.077 199 K CB 0.360 32.871 32.500 0.018 0.000 0.833 199 K HN 0.072 nan 8.250 nan 0.000 0.517 200 Q N -0.097 119.694 119.800 -0.015 0.000 2.186 200 Q HA 0.279 4.619 4.340 -0.000 0.000 0.241 200 Q C -0.342 175.614 176.000 -0.072 0.000 0.849 200 Q CA -0.121 55.662 55.803 -0.034 0.000 1.053 200 Q CB 1.233 29.959 28.738 -0.021 0.000 1.146 200 Q HN 0.297 nan 8.270 nan 0.000 0.475 201 A N -0.532 122.235 122.820 -0.089 0.000 2.969 201 A HA -0.140 4.180 4.320 -0.000 0.000 0.252 201 A C -0.057 177.389 177.584 -0.230 0.000 1.377 201 A CA 0.373 52.328 52.037 -0.137 0.000 0.859 201 A CB -2.000 16.932 19.000 -0.113 0.000 1.077 201 A HN 0.225 nan 8.150 nan 0.000 0.671 202 V N 0.740 120.497 119.914 -0.262 0.000 2.370 202 V HA 0.575 4.695 4.120 -0.000 0.000 0.279 202 V C 0.332 176.058 176.094 -0.614 0.000 1.029 202 V CA -0.118 61.892 62.300 -0.482 0.000 0.870 202 V CB 1.528 33.051 31.823 -0.499 0.000 0.984 202 V HN 0.406 nan 8.190 nan 0.000 0.451 203 I N 5.506 125.612 120.570 -0.774 0.000 2.355 203 I HA 0.446 4.616 4.170 -0.000 0.000 0.288 203 I C -0.757 174.781 176.117 -0.965 0.000 0.999 203 I CA -0.187 60.691 61.300 -0.703 0.000 1.163 203 I CB 1.231 38.843 38.000 -0.647 0.000 1.316 203 I HN 0.400 nan 8.210 nan 0.000 0.454 204 F N 4.115 123.685 119.950 -0.634 0.000 2.404 204 F HA 0.366 4.893 4.527 -0.000 0.000 0.339 204 F C 0.294 175.483 175.800 -1.017 0.000 1.105 204 F CA -0.377 57.129 58.000 -0.823 0.000 1.087 204 F CB 0.757 39.361 39.000 -0.659 0.000 1.143 204 F HN 0.400 nan 8.300 nan 0.000 0.491 205 H N 2.916 121.702 119.070 -0.474 0.000 2.541 205 H HA 0.312 4.868 4.556 -0.000 0.000 0.246 205 H C -0.921 174.267 175.328 -0.233 0.000 1.341 205 H CA -0.596 55.283 56.048 -0.281 0.000 1.469 205 H CB 0.283 29.870 29.762 -0.292 0.000 1.472 205 H HN 0.342 nan 8.280 nan 0.000 0.503 206 F N 0.740 120.785 119.950 0.157 0.000 2.378 206 F HA 0.126 4.653 4.527 -0.000 0.000 0.319 206 F C 1.174 177.052 175.800 0.130 0.000 1.155 206 F CA -0.769 57.307 58.000 0.126 0.000 1.157 206 F CB 0.627 39.663 39.000 0.060 0.000 1.252 206 F HN 0.482 nan 8.300 nan 0.000 0.550 207 E N 0.207 120.609 120.200 0.337 0.000 2.228 207 E HA -0.268 4.082 4.350 -0.000 0.000 0.213 207 E C -0.679 176.035 176.600 0.191 0.000 1.282 207 E CA 0.571 57.099 56.400 0.213 0.000 0.707 207 E CB -1.089 28.713 29.700 0.169 0.000 1.150 207 E HN 0.527 nan 8.360 nan 0.000 0.362 208 E N 0.079 120.405 120.200 0.210 0.000 2.307 208 E HA 0.212 4.562 4.350 -0.000 0.000 0.280 208 E C -1.170 175.551 176.600 0.202 0.000 0.900 208 E CA -0.354 56.169 56.400 0.204 0.000 0.790 208 E CB 1.581 31.444 29.700 0.271 0.000 1.261 208 E HN 0.039 nan 8.360 nan 0.000 0.405 209 T N 1.585 116.217 114.554 0.130 0.000 2.824 209 T HA 0.298 4.648 4.350 -0.000 0.000 0.280 209 T C -0.125 174.590 174.700 0.025 0.000 0.995 209 T CA -0.618 61.539 62.100 0.095 0.000 1.009 209 T CB 1.448 70.362 68.868 0.075 0.000 0.955 209 T HN 0.139 nan 8.240 nan 0.000 0.452 210 V N 4.831 124.731 119.914 -0.024 0.000 2.439 210 V HA 0.116 4.236 4.120 -0.000 0.000 0.271 210 V C 1.191 177.254 176.094 -0.052 0.000 1.040 210 V CA 0.112 62.332 62.300 -0.133 0.000 1.002 210 V CB 0.052 31.758 31.823 -0.196 0.000 1.000 210 V HN 0.815 nan 8.190 nan 0.000 0.477 211 L N 4.216 125.403 121.223 -0.060 0.000 2.249 211 L HA 0.431 4.771 4.340 -0.000 0.000 0.207 211 L C 1.116 177.968 176.870 -0.031 0.000 1.090 211 L CA 0.868 55.690 54.840 -0.029 0.000 0.802 211 L CB -0.071 41.973 42.059 -0.025 0.000 0.947 211 L HN 0.773 nan 8.230 nan 0.000 0.453 212 G N -0.132 108.636 108.800 -0.052 0.000 2.673 212 G HA2 0.607 4.567 3.960 -0.000 0.000 0.292 212 G HA3 0.607 4.567 3.960 -0.000 0.000 0.292 212 G C -1.641 173.224 174.900 -0.058 0.000 1.450 212 G CA -0.445 44.630 45.100 -0.041 0.000 0.837 212 G HN -0.094 nan 8.290 nan 0.000 0.505 213 I N 0.956 121.504 120.570 -0.037 0.000 2.439 213 I HA 0.317 4.487 4.170 -0.000 0.000 0.283 213 I C -0.215 175.885 176.117 -0.028 0.000 1.023 213 I CA -0.539 60.738 61.300 -0.039 0.000 1.100 213 I CB 2.155 40.144 38.000 -0.018 0.000 1.238 213 I HN 0.526 nan 8.210 nan 0.000 0.445 214 E N 6.662 126.842 120.200 -0.033 0.000 2.200 214 E HA 0.201 4.551 4.350 -0.000 0.000 0.283 214 E C -0.707 175.881 176.600 -0.019 0.000 1.015 214 E CA -0.486 55.900 56.400 -0.024 0.000 0.819 214 E CB 1.354 31.039 29.700 -0.026 0.000 1.081 214 E HN 0.587 nan 8.360 nan 0.000 0.397 215 E N 3.614 123.805 120.200 -0.014 0.000 2.174 215 E HA 0.189 4.539 4.350 -0.000 0.000 0.282 215 E C -0.738 175.856 176.600 -0.010 0.000 0.992 215 E CA -0.518 55.875 56.400 -0.011 0.000 0.803 215 E CB 1.036 30.730 29.700 -0.010 0.000 1.090 215 E HN 0.586 nan 8.360 nan 0.000 0.396 216 T N 0.686 115.235 114.554 -0.008 0.000 2.937 216 T HA 0.554 4.904 4.350 -0.000 0.000 0.283 216 T C 1.140 175.838 174.700 -0.005 0.000 1.012 216 T CA -0.183 61.913 62.100 -0.007 0.000 0.997 216 T CB 1.469 70.333 68.868 -0.007 0.000 1.136 216 T HN 0.429 nan 8.240 nan 0.000 0.551 217 A N 1.220 124.038 122.820 -0.004 0.000 1.972 217 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 217 A C 1.727 179.310 177.584 -0.001 0.000 1.169 217 A CA 1.614 53.650 52.037 -0.003 0.000 0.635 217 A CB -0.854 18.145 19.000 -0.002 0.000 0.810 217 A HN 0.942 nan 8.150 nan 0.000 0.446 218 N N -1.478 117.222 118.700 -0.001 0.000 2.291 218 N HA 0.392 5.132 4.740 -0.000 0.000 0.244 218 N C 0.243 175.755 175.510 0.002 0.000 1.216 218 N CA 0.779 53.830 53.050 0.001 0.000 0.879 218 N CB 0.269 38.756 38.487 0.001 0.000 1.167 218 N HN 0.475 nan 8.380 nan 0.000 0.515 219 G N 0.350 109.151 108.800 0.001 0.000 2.335 219 G HA2 0.436 4.396 3.960 -0.000 0.000 0.291 219 G HA3 0.436 4.396 3.960 -0.000 0.000 0.291 219 G C -1.916 172.984 174.900 -0.000 0.000 1.261 219 G CA -0.572 44.530 45.100 0.003 0.000 0.871 219 G HN 0.325 nan 8.290 nan 0.000 0.491 220 I N -2.687 117.882 120.570 -0.001 0.000 2.994 220 I HA 0.850 5.020 4.170 -0.000 0.000 0.306 220 I C -1.185 174.920 176.117 -0.020 0.000 1.195 220 I CA -1.438 59.856 61.300 -0.009 0.000 1.001 220 I CB 2.252 40.249 38.000 -0.004 0.000 1.244 220 I HN 0.396 nan 8.210 nan 0.000 0.437 221 V N 4.506 124.399 119.914 -0.034 0.000 2.483 221 V HA 0.432 4.552 4.120 -0.000 0.000 0.297 221 V C -0.411 175.635 176.094 -0.080 0.000 1.027 221 V CA -0.417 61.852 62.300 -0.052 0.000 0.855 221 V CB 1.554 33.352 31.823 -0.043 0.000 0.995 221 V HN 0.478 nan 8.190 nan 0.000 0.424 222 L N 4.137 125.285 121.223 -0.125 0.000 2.257 222 L HA 0.462 4.802 4.340 -0.000 0.000 0.290 222 L C 0.464 177.212 176.870 -0.202 0.000 1.044 222 L CA 0.213 54.925 54.840 -0.213 0.000 0.810 222 L CB 0.957 42.762 42.059 -0.423 0.000 1.193 222 L HN 0.665 nan 8.230 nan 0.000 0.425 223 E N 2.329 122.437 120.200 -0.154 0.000 2.152 223 E HA 0.227 4.576 4.350 -0.000 0.000 0.285 223 E C -0.657 175.863 176.600 -0.133 0.000 1.043 223 E CA -0.109 56.224 56.400 -0.112 0.000 0.839 223 E CB 0.868 30.526 29.700 -0.071 0.000 1.069 223 E HN 0.585 nan 8.360 nan 0.000 0.399 224 T N 1.532 116.019 114.554 -0.112 0.000 2.938 224 T HA 0.132 4.482 4.350 -0.000 0.000 0.285 224 T C 1.210 175.897 174.700 -0.022 0.000 1.028 224 T CA -0.101 61.949 62.100 -0.083 0.000 1.005 224 T CB 1.235 70.068 68.868 -0.058 0.000 1.157 224 T HN 0.550 nan 8.240 nan 0.000 0.550 225 S N 0.696 116.403 115.700 0.011 0.000 2.507 225 S HA 0.009 4.479 4.470 -0.000 0.000 0.235 225 S C 1.030 175.648 174.600 0.031 0.000 0.988 225 S CA 0.738 58.953 58.200 0.025 0.000 0.944 225 S CB -0.075 63.151 63.200 0.044 0.000 0.762 225 S HN 0.675 nan 8.310 nan 0.000 0.526 226 E N 0.382 120.602 120.200 0.035 0.000 2.474 226 E HA 0.190 4.540 4.350 -0.000 0.000 0.215 226 E C 0.937 177.549 176.600 0.020 0.000 0.867 226 E CA 0.362 56.785 56.400 0.038 0.000 1.135 226 E CB 0.498 30.238 29.700 0.066 0.000 1.147 226 E HN 0.911 nan 8.360 nan 0.000 0.534 227 Q N -0.421 119.380 119.800 0.001 0.000 2.765 227 Q HA 0.458 4.798 4.340 -0.000 0.000 0.343 227 Q C -1.489 174.485 176.000 -0.042 0.000 0.744 227 Q CA -0.689 55.104 55.803 -0.016 0.000 0.882 227 Q CB 1.124 29.852 28.738 -0.016 0.000 1.276 227 Q HN -0.190 nan 8.270 nan 0.000 0.508 228 E N 0.448 120.619 120.200 -0.049 0.000 2.224 228 E HA 0.609 4.959 4.350 -0.000 0.000 0.265 228 E C -1.357 175.197 176.600 -0.077 0.000 0.878 228 E CA -0.488 55.873 56.400 -0.065 0.000 0.759 228 E CB 1.743 31.414 29.700 -0.048 0.000 1.164 228 E HN 0.431 nan 8.360 nan 0.000 0.414 229 I N 2.059 122.571 120.570 -0.096 0.000 2.545 229 I HA 0.377 4.547 4.170 -0.000 0.000 0.292 229 I C -0.373 175.682 176.117 -0.105 0.000 1.040 229 I CA -0.686 60.541 61.300 -0.123 0.000 1.068 229 I CB 1.962 39.900 38.000 -0.103 0.000 1.251 229 I HN 0.381 nan 8.210 nan 0.000 0.424 230 S N 4.068 119.703 115.700 -0.109 0.000 2.541 230 S HA 0.688 5.158 4.470 -0.000 0.000 0.283 230 S C -0.521 174.053 174.600 -0.044 0.000 1.196 230 S CA -0.412 57.753 58.200 -0.059 0.000 1.062 230 S CB 1.493 64.672 63.200 -0.035 0.000 1.009 230 S HN 0.676 nan 8.310 nan 0.000 0.502 231 C N 1.125 120.425 119.300 0.000 0.000 3.170 231 C HA 0.364 4.824 4.460 -0.000 0.000 0.319 231 C C 0.817 175.827 174.990 0.034 0.000 1.260 231 C CA -0.824 58.221 59.018 0.044 0.000 1.374 231 C CB 1.985 29.778 27.740 0.087 0.000 1.739 231 C HN 0.927 nan 8.230 nan 0.000 0.479 232 D N 0.725 121.149 120.400 0.040 0.000 2.234 232 D HA 0.027 4.667 4.640 -0.000 0.000 0.205 232 D C 0.825 177.142 176.300 0.027 0.000 0.962 232 D CA 1.241 55.257 54.000 0.026 0.000 0.855 232 D CB 0.327 41.139 40.800 0.021 0.000 0.951 232 D HN 0.752 nan 8.370 nan 0.000 0.500 233 S N -1.544 114.180 115.700 0.040 0.000 2.661 233 S HA 0.669 5.139 4.470 -0.000 0.000 0.268 233 S C -0.425 174.215 174.600 0.066 0.000 1.162 233 S CA -0.762 57.462 58.200 0.041 0.000 0.817 233 S CB 2.287 65.507 63.200 0.033 0.000 1.141 233 S HN 0.124 nan 8.310 nan 0.000 0.477 234 G N -0.394 108.447 108.800 0.069 0.000 2.690 234 G HA2 0.692 4.652 3.960 -0.000 0.000 0.293 234 G HA3 0.692 4.652 3.960 -0.000 0.000 0.293 234 G C -1.802 173.161 174.900 0.106 0.000 1.399 234 G CA -0.824 44.339 45.100 0.104 0.000 0.890 234 G HN 0.796 nan 8.290 nan 0.000 0.485 235 I N 0.740 121.390 120.570 0.135 0.000 2.436 235 I HA 0.320 4.490 4.170 -0.000 0.000 0.289 235 I C -1.113 175.138 176.117 0.223 0.000 1.010 235 I CA -0.700 60.685 61.300 0.141 0.000 1.098 235 I CB 2.274 40.325 38.000 0.085 0.000 1.266 235 I HN 0.423 nan 8.210 nan 0.000 0.434 236 F N 6.509 126.527 119.950 0.115 0.000 2.413 236 F HA 0.502 5.029 4.527 -0.000 0.000 0.359 236 F C 0.622 176.552 175.800 0.216 0.000 1.122 236 F CA -0.394 57.711 58.000 0.175 0.000 1.160 236 F CB 1.063 40.178 39.000 0.192 0.000 1.146 236 F HN 0.495 nan 8.300 nan 0.000 0.514 237 A N 7.748 130.455 122.820 -0.188 0.000 2.827 237 A HA 0.436 4.756 4.320 -0.000 0.000 0.300 237 A C -0.390 177.070 177.584 -0.206 0.000 1.237 237 A CA -0.347 51.659 52.037 -0.052 0.000 0.964 237 A CB -0.647 18.400 19.000 0.078 0.000 1.143 237 A HN 0.673 nan 8.150 nan 0.000 0.554 238 L N -0.234 120.655 121.223 -0.557 0.000 2.352 238 L HA 0.301 4.640 4.340 -0.000 0.000 0.269 238 L C 0.291 177.174 176.870 0.022 0.000 1.034 238 L CA -0.795 53.857 54.840 -0.314 0.000 0.806 238 L CB 1.178 42.935 42.059 -0.502 0.000 1.244 238 L HN 0.361 nan 8.230 nan 0.000 0.447 239 N N 1.232 119.975 118.700 0.072 0.000 2.447 239 N HA 0.167 4.907 4.740 -0.000 0.000 0.263 239 N C -0.750 174.828 175.510 0.112 0.000 1.226 239 N CA -0.298 52.803 53.050 0.085 0.000 0.906 239 N CB 0.578 39.098 38.487 0.055 0.000 1.060 239 N HN 0.287 nan 8.380 nan 0.000 0.468 240 L N 2.386 123.693 121.223 0.141 0.000 2.456 240 L HA 0.283 4.623 4.340 -0.000 0.000 0.257 240 L C 0.587 177.441 176.870 -0.026 0.000 1.162 240 L CA -0.488 54.451 54.840 0.165 0.000 0.808 240 L CB 0.562 42.760 42.059 0.232 0.000 1.136 240 L HN 0.497 nan 8.230 nan 0.000 0.466 241 H N 0.648 119.817 119.070 0.164 0.000 2.616 241 H HA 0.349 4.905 4.556 -0.000 0.000 0.353 241 H C -2.264 173.109 175.328 0.075 0.000 1.170 241 H CA -1.803 54.288 56.048 0.072 0.000 1.212 241 H CB 1.876 31.609 29.762 -0.048 0.000 1.653 241 H HN 0.298 nan 8.280 nan 0.000 0.537 242 P HA -0.072 nan 4.420 nan 0.000 0.268 242 P C -0.050 177.306 177.300 0.093 0.000 1.204 242 P CA -0.196 62.981 63.100 0.128 0.000 0.768 242 P CB 0.859 32.617 31.700 0.097 0.000 0.842 243 Q N 3.517 123.383 119.800 0.111 0.000 2.534 243 Q HA 0.176 4.516 4.340 -0.000 0.000 0.223 243 Q C -0.363 175.671 176.000 0.057 0.000 1.239 243 Q CA 0.030 55.891 55.803 0.096 0.000 0.936 243 Q CB -0.791 28.030 28.738 0.137 0.000 1.457 243 Q HN 0.498 nan 8.270 nan 0.000 0.547 244 L N 2.529 123.713 121.223 -0.065 0.000 3.047 244 L HA 0.329 4.669 4.340 -0.000 0.000 0.242 244 L C 1.254 177.939 176.870 -0.309 0.000 1.315 244 L CA -0.250 54.411 54.840 -0.297 0.000 1.042 244 L CB 0.187 42.084 42.059 -0.270 0.000 1.420 244 L HN 0.479 nan 8.230 nan 0.000 0.517 245 A N 0.279 123.013 122.820 -0.144 0.000 1.929 245 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 245 A C 1.963 179.511 177.584 -0.060 0.000 1.176 245 A CA 1.243 53.244 52.037 -0.060 0.000 0.628 245 A CB -0.479 18.543 19.000 0.036 0.000 0.816 245 A HN 0.696 nan 8.150 nan 0.000 0.444 246 Y N -1.447 118.868 120.300 0.025 0.000 2.574 246 Y HA 0.333 4.883 4.550 -0.000 0.000 0.294 246 Y C 0.564 176.485 175.900 0.035 0.000 1.142 246 Y CA -0.837 57.279 58.100 0.025 0.000 1.314 246 Y CB -0.762 37.712 38.460 0.024 0.000 0.991 246 Y HN 0.093 nan 8.280 nan 0.000 0.555 247 L N 3.152 124.074 121.223 -0.501 0.000 2.513 247 L HA -0.020 4.320 4.340 -0.000 0.000 0.272 247 L C 0.214 177.048 176.870 -0.060 0.000 1.187 247 L CA 0.199 54.860 54.840 -0.297 0.000 0.895 247 L CB -0.101 41.746 42.059 -0.355 0.000 1.147 247 L HN 0.262 nan 8.230 nan 0.000 0.483 248 D N 4.567 124.984 120.400 0.029 0.000 2.434 248 D HA -0.065 4.575 4.640 -0.000 0.000 0.252 248 D C 0.680 176.988 176.300 0.013 0.000 1.185 248 D CA -0.115 53.917 54.000 0.054 0.000 0.886 248 D CB 0.927 41.782 40.800 0.091 0.000 1.148 248 D HN 0.394 nan 8.370 nan 0.000 0.483 249 K N 3.570 123.976 120.400 0.010 0.000 2.520 249 K HA -0.176 4.144 4.320 -0.000 0.000 0.197 249 K C 1.447 178.046 176.600 -0.001 0.000 1.044 249 K CA 0.496 56.780 56.287 -0.005 0.000 0.938 249 K CB 0.035 32.535 32.500 -0.000 0.000 0.767 249 K HN 0.478 nan 8.250 nan 0.000 0.481 250 K N 0.611 121.018 120.400 0.011 0.000 2.296 250 K HA 0.087 4.407 4.320 -0.000 0.000 0.200 250 K C 0.499 177.101 176.600 0.003 0.000 1.048 250 K CA 0.121 56.414 56.287 0.010 0.000 0.966 250 K CB 0.196 32.709 32.500 0.022 0.000 0.754 250 K HN 0.047 nan 8.250 nan 0.000 0.466 251 I N 2.355 122.924 120.570 -0.002 0.000 2.452 251 I HA -0.017 4.153 4.170 -0.000 0.000 0.287 251 I C 0.402 176.508 176.117 -0.019 0.000 1.079 251 I CA -0.167 61.126 61.300 -0.011 0.000 1.387 251 I CB 0.981 38.972 38.000 -0.015 0.000 1.404 251 I HN 0.198 nan 8.210 nan 0.000 0.522 252 Q N 7.169 126.960 119.800 -0.014 0.000 2.361 252 Q HA 0.216 4.556 4.340 -0.000 0.000 0.276 252 Q C -0.763 175.225 176.000 -0.019 0.000 1.022 252 Q CA 0.315 56.110 55.803 -0.014 0.000 0.898 252 Q CB 0.741 29.476 28.738 -0.005 0.000 1.246 252 Q HN 0.570 nan 8.270 nan 0.000 0.410 253 R N 2.516 123.001 120.500 -0.024 0.000 2.808 253 R HA 0.382 4.722 4.340 -0.000 0.000 0.272 253 R C -0.880 175.402 176.300 -0.030 0.000 0.995 253 R CA -0.855 55.225 56.100 -0.034 0.000 0.917 253 R CB 1.524 31.792 30.300 -0.053 0.000 1.217 253 R HN 0.729 nan 8.270 nan 0.000 0.471 254 N N 0.165 118.843 118.700 -0.036 0.000 2.434 254 N HA 0.187 4.926 4.740 -0.000 0.000 0.266 254 N C 0.977 176.455 175.510 -0.053 0.000 1.223 254 N CA -0.516 52.516 53.050 -0.029 0.000 0.972 254 N CB 0.929 39.404 38.487 -0.019 0.000 1.207 254 N HN 0.322 nan 8.380 nan 0.000 0.525 255 L N 0.292 121.489 121.223 -0.043 0.000 2.079 255 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 255 L C 1.626 178.430 176.870 -0.109 0.000 1.081 255 L CA 1.125 55.929 54.840 -0.059 0.000 0.752 255 L CB -0.473 41.566 42.059 -0.034 0.000 0.896 255 L HN 0.728 nan 8.230 nan 0.000 0.433 256 D N -1.159 119.164 120.400 -0.127 0.000 2.352 256 D HA -0.169 4.471 4.640 -0.000 0.000 0.232 256 D C 0.733 176.826 176.300 -0.346 0.000 1.055 256 D CA 0.248 54.100 54.000 -0.248 0.000 0.891 256 D CB 0.174 40.870 40.800 -0.172 0.000 0.897 256 D HN 0.264 nan 8.370 nan 0.000 0.529 257 Q N -0.738 118.932 119.800 -0.216 0.000 2.342 257 Q HA -0.154 4.186 4.340 -0.000 0.000 0.196 257 Q C 0.208 176.120 176.000 -0.146 0.000 0.629 257 Q CA 1.374 57.067 55.803 -0.182 0.000 1.365 257 Q CB -2.868 25.740 28.738 -0.218 0.000 1.406 257 Q HN 0.697 nan 8.270 nan 0.000 0.840 258 T N -1.366 113.096 114.554 -0.153 0.000 2.813 258 T HA 0.580 4.930 4.350 -0.000 0.000 0.297 258 T C 1.012 175.679 174.700 -0.056 0.000 1.036 258 T CA -0.631 61.405 62.100 -0.107 0.000 1.044 258 T CB 1.130 69.935 68.868 -0.106 0.000 0.993 258 T HN 0.218 nan 8.240 nan 0.000 0.535 259 I N 1.537 122.092 120.570 -0.025 0.000 2.441 259 I HA 0.423 4.593 4.170 -0.000 0.000 0.287 259 I C 0.922 177.041 176.117 0.003 0.000 1.049 259 I CA -0.851 60.440 61.300 -0.015 0.000 1.381 259 I CB 0.798 38.796 38.000 -0.003 0.000 1.409 259 I HN 0.845 nan 8.210 nan 0.000 0.523 260 A N 6.933 129.754 122.820 0.002 0.000 2.363 260 A HA 0.662 4.981 4.320 -0.000 0.000 0.270 260 A C -0.245 177.354 177.584 0.025 0.000 1.121 260 A CA -0.347 51.700 52.037 0.017 0.000 0.800 260 A CB 0.618 19.627 19.000 0.014 0.000 1.052 260 A HN 0.638 nan 8.150 nan 0.000 0.493 261 V N 0.259 120.198 119.914 0.042 0.000 3.114 261 V HA 0.705 4.825 4.120 -0.000 0.000 0.308 261 V C -0.557 175.584 176.094 0.077 0.000 1.168 261 V CA -0.887 61.448 62.300 0.059 0.000 1.015 261 V CB 1.807 33.671 31.823 0.070 0.000 1.050 261 V HN 0.943 nan 8.190 nan 0.000 0.433 262 D N 2.433 122.895 120.400 0.103 0.000 2.440 262 D HA 0.489 5.129 4.640 -0.000 0.000 0.269 262 D C 1.289 177.645 176.300 0.095 0.000 1.249 262 D CA 0.049 54.119 54.000 0.116 0.000 1.055 262 D CB 0.922 41.827 40.800 0.174 0.000 1.104 262 D HN 0.880 nan 8.370 nan 0.000 0.561 263 A N -1.319 121.509 122.820 0.014 0.000 2.125 263 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 263 A C 1.387 178.799 177.584 -0.285 0.000 1.156 263 A CA 0.889 52.828 52.037 -0.163 0.000 0.671 263 A CB -1.015 17.779 19.000 -0.343 0.000 0.794 263 A HN 0.559 nan 8.150 nan 0.000 0.459 264 Y N -1.299 119.099 120.300 0.162 0.000 2.468 264 Y HA 0.436 4.986 4.550 -0.000 0.000 0.268 264 Y C 0.598 176.616 175.900 0.196 0.000 1.177 264 Y CA -0.098 58.108 58.100 0.176 0.000 1.265 264 Y CB -0.023 38.538 38.460 0.167 0.000 1.103 264 Y HN 0.140 nan 8.280 nan 0.000 0.522 265 L N 0.054 121.420 121.223 0.237 0.000 4.351 265 L HA -0.316 4.024 4.340 -0.000 0.000 0.410 265 L C 0.318 177.387 176.870 0.332 0.000 1.150 265 L CA 0.408 55.368 54.840 0.201 0.000 0.961 265 L CB -1.446 40.674 42.059 0.102 0.000 2.130 265 L HN 0.381 nan 8.230 nan 0.000 0.787 266 Q N 1.094 121.082 119.800 0.313 0.000 2.222 266 Q HA 0.485 4.825 4.340 -0.000 0.000 0.252 266 Q C 0.804 176.790 176.000 -0.023 0.000 0.926 266 Q CA 0.194 56.046 55.803 0.081 0.000 0.899 266 Q CB 1.638 30.364 28.738 -0.021 0.000 1.250 266 Q HN 0.279 nan 8.270 nan 0.000 0.441 267 T N -0.736 113.738 114.554 -0.133 0.000 2.753 267 T HA 0.075 4.425 4.350 -0.000 0.000 0.309 267 T C 1.183 175.843 174.700 -0.066 0.000 1.043 267 T CA 0.031 62.090 62.100 -0.069 0.000 0.964 267 T CB 0.432 69.257 68.868 -0.072 0.000 1.206 267 T HN 0.679 nan 8.240 nan 0.000 0.528 268 S N -0.940 114.738 115.700 -0.037 0.000 2.607 268 S HA 0.205 4.675 4.470 -0.000 0.000 0.224 268 S C 0.761 175.341 174.600 -0.033 0.000 0.969 268 S CA -0.133 58.053 58.200 -0.024 0.000 0.927 268 S CB -1.251 61.944 63.200 -0.008 0.000 0.772 268 S HN 1.083 nan 8.310 nan 0.000 0.533 269 V N -3.040 116.840 119.914 -0.056 0.000 2.960 269 V HA 0.718 4.838 4.120 -0.000 0.000 0.315 269 V C -3.312 172.732 176.094 -0.083 0.000 1.087 269 V CA -3.196 59.077 62.300 -0.044 0.000 0.982 269 V CB 1.168 32.984 31.823 -0.011 0.000 1.039 269 V HN -0.132 nan 8.190 nan 0.000 0.437 270 P HA 0.254 nan 4.420 nan 0.000 0.264 270 P C 0.028 177.303 177.300 -0.041 0.000 1.193 270 P CA 0.873 63.946 63.100 -0.046 0.000 0.763 270 P CB -0.167 31.533 31.700 -0.000 0.000 0.810 271 N N -1.029 117.609 118.700 -0.103 0.000 2.753 271 N HA -0.146 4.594 4.740 -0.000 0.000 0.251 271 N C -0.861 174.572 175.510 -0.129 0.000 1.097 271 N CA 0.090 53.133 53.050 -0.013 0.000 0.786 271 N CB -1.242 37.375 38.487 0.217 0.000 1.137 271 N HN 0.122 nan 8.380 nan 0.000 0.566 272 V N 1.058 120.712 119.914 -0.434 0.000 2.448 272 V HA 0.637 4.757 4.120 -0.000 0.000 0.295 272 V C -0.307 175.451 176.094 -0.560 0.000 1.025 272 V CA -0.502 61.607 62.300 -0.317 0.000 0.859 272 V CB 1.024 32.766 31.823 -0.135 0.000 0.988 272 V HN 0.068 nan 8.190 nan 0.000 0.431 273 F N 2.178 122.128 119.950 0.000 0.000 2.561 273 F HA 0.893 5.419 4.527 -0.000 0.000 0.321 273 F C 0.324 176.130 175.800 0.011 0.000 1.065 273 F CA -0.811 57.200 58.000 0.018 0.000 0.934 273 F CB 2.129 41.145 39.000 0.027 0.000 1.215 273 F HN 0.563 nan 8.300 nan 0.000 0.471 274 A N 2.799 125.727 122.820 0.180 0.000 2.393 274 A HA 0.932 5.252 4.320 -0.000 0.000 0.306 274 A C -0.948 176.674 177.584 0.063 0.000 1.050 274 A CA -0.600 51.500 52.037 0.104 0.000 0.724 274 A CB 1.242 20.282 19.000 0.067 0.000 1.248 274 A HN 0.835 nan 8.150 nan 0.000 0.424 275 I N -1.309 119.284 120.570 0.040 0.000 3.279 275 I HA 0.930 5.100 4.170 -0.000 0.000 0.315 275 I C 0.665 176.785 176.117 0.004 0.000 1.187 275 I CA -0.387 60.900 61.300 -0.022 0.000 0.953 275 I CB 1.650 39.626 38.000 -0.040 0.000 1.279 275 I HN 1.719 nan 8.210 nan 0.000 0.465 276 G N 2.017 110.799 108.800 -0.031 0.000 2.574 276 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.286 276 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.286 276 G C 0.158 175.094 174.900 0.060 0.000 1.212 276 G CA 0.927 46.035 45.100 0.015 0.000 0.979 276 G HN 0.871 nan 8.290 nan 0.000 0.557 277 D N -0.210 120.255 120.400 0.107 0.000 2.350 277 D HA 0.038 4.678 4.640 -0.000 0.000 0.216 277 D C 2.215 178.680 176.300 0.275 0.000 0.968 277 D CA 1.283 55.405 54.000 0.203 0.000 0.894 277 D CB -0.352 40.559 40.800 0.185 0.000 0.909 277 D HN 0.490 nan 8.370 nan 0.000 0.520 278 C N 0.299 119.697 119.300 0.164 0.000 2.468 278 C HA 0.102 4.562 4.460 -0.000 0.000 0.277 278 C C 1.091 176.138 174.990 0.096 0.000 1.400 278 C CA -0.498 58.591 59.018 0.117 0.000 1.770 278 C CB -0.175 27.619 27.740 0.091 0.000 1.905 278 C HN 0.184 nan 8.230 nan 0.000 0.519 279 I N 0.469 121.109 120.570 0.117 0.000 2.783 279 I HA 0.301 4.471 4.170 -0.000 0.000 0.312 279 I C 0.347 176.551 176.117 0.145 0.000 0.988 279 I CA 0.377 61.729 61.300 0.087 0.000 1.182 279 I CB 1.232 39.249 38.000 0.027 0.000 1.368 279 I HN 0.021 nan 8.210 nan 0.000 0.511 280 S N 2.562 118.314 115.700 0.087 0.000 2.501 280 S HA 0.656 5.125 4.470 -0.000 0.000 0.301 280 S C -0.177 174.408 174.600 -0.025 0.000 1.096 280 S CA -0.582 57.662 58.200 0.072 0.000 1.063 280 S CB 2.025 65.268 63.200 0.071 0.000 1.042 280 S HN 0.404 nan 8.310 nan 0.000 0.494 284 E N 0.876 121.089 120.200 0.021 0.000 2.070 284 E HA -0.150 4.200 4.350 -0.000 0.000 0.197 284 E C -0.993 175.605 176.600 -0.004 0.000 1.004 284 E CA 1.503 57.909 56.400 0.009 0.000 0.805 284 E CB -0.284 29.405 29.700 -0.018 0.000 0.744 284 E HN 0.487 nan 8.360 nan 0.000 0.451 285 P HA -0.173 nan 4.420 nan 0.000 0.217 285 P C 1.300 178.564 177.300 -0.060 0.000 1.151 285 P CA 1.504 64.575 63.100 -0.049 0.000 0.849 285 P CB 0.029 31.686 31.700 -0.072 0.000 0.787 286 V N -5.871 113.987 119.914 -0.094 0.000 3.483 286 V HA 0.638 4.758 4.120 -0.000 0.000 0.301 286 V C 0.937 177.079 176.094 0.080 0.000 1.389 286 V CA -0.098 62.131 62.300 -0.118 0.000 1.101 286 V CB -1.047 30.457 31.823 -0.533 0.000 0.971 286 V HN 0.149 nan 8.190 nan 0.000 0.434 287 A N 0.374 123.246 122.820 0.085 0.000 2.783 287 A HA -0.291 4.029 4.320 -0.000 0.000 0.292 287 A C 0.436 178.156 177.584 0.226 0.000 1.495 287 A CA 1.517 53.637 52.037 0.139 0.000 0.787 287 A CB -2.143 16.935 19.000 0.130 0.000 1.017 287 A HN 1.016 nan 8.150 nan 0.000 0.516 288 E N 0.543 120.895 120.200 0.253 0.000 2.174 288 E HA 0.482 4.832 4.350 -0.000 0.000 0.282 288 E C -0.338 176.472 176.600 0.350 0.000 0.992 288 E CA -0.102 56.502 56.400 0.340 0.000 0.803 288 E CB 0.700 30.613 29.700 0.356 0.000 1.090 288 E HN 0.360 nan 8.360 nan 0.000 0.396 289 T N 5.783 120.525 114.554 0.313 0.000 2.758 289 T HA 0.469 4.819 4.350 -0.000 0.000 0.285 289 T C -0.935 173.986 174.700 0.369 0.000 0.981 289 T CA -0.452 61.818 62.100 0.284 0.000 0.965 289 T CB 0.017 68.986 68.868 0.168 0.000 0.927 289 T HN 0.411 nan 8.240 nan 0.000 0.448 290 F N 1.094 121.098 119.950 0.091 0.000 2.662 290 F HA 0.705 5.232 4.527 -0.000 0.000 0.312 290 F C -1.736 174.167 175.800 0.172 0.000 1.113 290 F CA -2.127 55.931 58.000 0.097 0.000 0.951 290 F CB 1.018 40.040 39.000 0.036 0.000 1.344 290 F HN 0.397 nan 8.300 nan 0.000 0.462 291 Y N 1.990 122.352 120.300 0.104 0.000 2.353 291 Y HA 0.726 5.276 4.550 -0.000 0.000 0.340 291 Y C -0.788 175.145 175.900 0.054 0.000 0.972 291 Y CA -1.746 56.361 58.100 0.010 0.000 1.157 291 Y CB 1.044 39.563 38.460 0.098 0.000 1.157 291 Y HN 0.966 nan 8.280 nan 0.000 0.495 292 A N 9.212 131.804 122.820 -0.379 0.000 2.943 292 A HA 0.416 4.736 4.320 -0.000 0.000 0.327 292 A C -2.928 174.430 177.584 -0.378 0.000 1.141 292 A CA -1.446 50.429 52.037 -0.270 0.000 0.773 292 A CB 0.126 19.115 19.000 -0.019 0.000 1.143 292 A HN 0.546 nan 8.150 nan 0.000 0.463 293 P HA 0.303 nan 4.420 nan 0.000 0.263 293 P C -0.717 176.471 177.300 -0.186 0.000 1.601 293 P CA 0.479 63.346 63.100 -0.389 0.000 1.161 293 P CB 0.116 31.534 31.700 -0.471 0.000 1.730 294 L N 2.348 123.493 121.223 -0.132 0.000 2.354 294 L HA 0.359 4.699 4.340 -0.000 0.000 0.264 294 L C 1.879 178.661 176.870 -0.146 0.000 1.008 294 L CA -1.197 53.577 54.840 -0.110 0.000 0.819 294 L CB 1.870 43.893 42.059 -0.059 0.000 1.339 294 L HN -0.133 nan 8.230 nan 0.000 0.420 295 V N 1.235 121.001 119.914 -0.247 0.000 2.407 295 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 295 V C 2.119 178.054 176.094 -0.266 0.000 1.055 295 V CA 2.447 64.492 62.300 -0.425 0.000 1.049 295 V CB -0.929 30.454 31.823 -0.734 0.000 0.662 295 V HN 1.050 nan 8.190 nan 0.000 0.455 296 N N 0.471 119.069 118.700 -0.169 0.000 2.244 296 N HA -0.173 4.567 4.740 -0.000 0.000 0.183 296 N C 1.482 176.977 175.510 -0.025 0.000 1.016 296 N CA 1.706 54.703 53.050 -0.088 0.000 0.866 296 N CB -0.462 37.993 38.487 -0.054 0.000 0.980 296 N HN 0.387 nan 8.380 nan 0.000 0.430 297 N N 0.485 119.173 118.700 -0.020 0.000 2.216 297 N HA -0.004 4.736 4.740 -0.000 0.000 0.183 297 N C 1.673 177.163 175.510 -0.033 0.000 1.017 297 N CA 1.270 54.333 53.050 0.022 0.000 0.861 297 N CB -0.527 37.957 38.487 -0.006 0.000 0.986 297 N HN 0.489 nan 8.380 nan 0.000 0.428 298 A N 0.840 123.632 122.820 -0.045 0.000 1.858 298 A HA -0.084 4.235 4.320 -0.000 0.000 0.216 298 A C 2.502 180.083 177.584 -0.004 0.000 1.190 298 A CA 1.436 53.466 52.037 -0.012 0.000 0.617 298 A CB -0.851 18.177 19.000 0.047 0.000 0.827 298 A HN 0.090 nan 8.150 nan 0.000 0.443 299 V N 0.001 119.907 119.914 -0.014 0.000 2.343 299 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 299 V C 2.664 178.761 176.094 0.006 0.000 1.051 299 V CA 2.265 64.569 62.300 0.005 0.000 1.036 299 V CB -0.857 30.952 31.823 -0.023 0.000 0.654 299 V HN 0.510 nan 8.190 nan 0.000 0.451 300 R N 0.500 121.012 120.500 0.021 0.000 2.066 300 R HA -0.125 4.214 4.340 -0.000 0.000 0.232 300 R C 2.535 178.825 176.300 -0.016 0.000 1.131 300 R CA 1.931 58.078 56.100 0.078 0.000 0.955 300 R CB -0.898 29.538 30.300 0.227 0.000 0.851 300 R HN 0.728 nan 8.270 nan 0.000 0.432 301 T N -1.823 112.597 114.554 -0.223 0.000 2.833 301 T HA -0.083 4.266 4.350 -0.000 0.000 0.269 301 T C 2.095 176.683 174.700 -0.186 0.000 1.054 301 T CA 1.250 63.072 62.100 -0.462 0.000 1.135 301 T CB -0.549 67.969 68.868 -0.584 0.000 0.869 301 T HN 0.354 nan 8.240 nan 0.000 0.466 302 G N 1.431 110.178 108.800 -0.088 0.000 2.408 302 G HA2 0.025 3.985 3.960 -0.000 0.000 0.217 302 G HA3 0.025 3.985 3.960 -0.000 0.000 0.217 302 G C 1.509 176.400 174.900 -0.015 0.000 1.150 302 G CA 0.591 45.672 45.100 -0.031 0.000 0.776 302 G HN 0.536 nan 8.290 nan 0.000 0.542 303 L N 0.144 121.365 121.223 -0.004 0.000 2.179 303 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 303 L C 2.819 179.700 176.870 0.017 0.000 1.096 303 L CA 0.099 54.945 54.840 0.010 0.000 0.779 303 L CB -0.196 41.874 42.059 0.018 0.000 0.922 303 L HN 0.066 nan 8.230 nan 0.000 0.443 304 V N -1.068 118.860 119.914 0.024 0.000 2.407 304 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 304 V C 2.323 178.447 176.094 0.048 0.000 1.041 304 V CA 1.229 63.569 62.300 0.067 0.000 1.040 304 V CB 0.202 32.108 31.823 0.140 0.000 0.671 304 V HN 0.237 nan 8.190 nan 0.000 0.455 305 V N 0.784 120.689 119.914 -0.015 0.000 2.469 305 V HA -0.262 3.858 4.120 -0.000 0.000 0.251 305 V C 2.567 178.596 176.094 -0.109 0.000 1.064 305 V CA 2.178 64.443 62.300 -0.058 0.000 1.066 305 V CB -0.499 31.278 31.823 -0.078 0.000 0.667 305 V HN 0.526 nan 8.190 nan 0.000 0.461 306 A N 0.010 122.800 122.820 -0.050 0.000 2.131 306 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 306 A C 1.760 179.346 177.584 0.004 0.000 1.158 306 A CA 1.801 53.826 52.037 -0.019 0.000 0.665 306 A CB -0.523 18.483 19.000 0.010 0.000 0.795 306 A HN 0.702 nan 8.150 nan 0.000 0.460 307 N N -0.045 118.667 118.700 0.022 0.000 2.280 307 N HA 0.020 4.760 4.740 -0.000 0.000 0.192 307 N C -0.150 175.392 175.510 0.054 0.000 1.109 307 N CA 0.153 53.237 53.050 0.056 0.000 0.855 307 N CB 0.250 38.841 38.487 0.173 0.000 0.974 307 N HN 0.404 nan 8.380 nan 0.000 0.482 308 N N 0.304 119.008 118.700 0.007 0.000 2.299 308 N HA 0.216 4.956 4.740 -0.000 0.000 0.246 308 N C 1.254 176.700 175.510 -0.106 0.000 1.254 308 N CA -0.055 53.005 53.050 0.016 0.000 0.879 308 N CB 0.754 39.340 38.487 0.165 0.000 1.214 308 N HN 0.146 nan 8.380 nan 0.000 0.510 309 L N -0.001 121.102 121.223 -0.199 0.000 2.201 309 L HA -0.023 4.317 4.340 -0.000 0.000 0.212 309 L C 1.612 178.541 176.870 0.098 0.000 1.105 309 L CA 1.326 55.987 54.840 -0.298 0.000 0.775 309 L CB 0.092 42.042 42.059 -0.181 0.000 0.913 309 L HN 0.163 nan 8.230 nan 0.000 0.440 310 E N -0.669 119.596 120.200 0.108 0.000 2.329 310 E HA 0.128 4.478 4.350 -0.000 0.000 0.189 310 E C 0.131 176.775 176.600 0.073 0.000 0.997 310 E CA -0.195 56.274 56.400 0.116 0.000 1.062 310 E CB 0.393 30.162 29.700 0.115 0.000 1.260 310 E HN 0.313 nan 8.360 nan 0.000 0.490 311 E N 1.707 121.924 120.200 0.029 0.000 2.231 311 E HA 0.191 4.541 4.350 -0.000 0.000 0.277 311 E C -0.728 175.809 176.600 -0.105 0.000 0.999 311 E CA -0.530 55.846 56.400 -0.038 0.000 0.827 311 E CB 1.049 30.722 29.700 -0.045 0.000 1.101 311 E HN -0.142 nan 8.360 nan 0.000 0.393 312 K N 2.615 122.865 120.400 -0.249 0.000 2.167 312 K HA 0.032 4.351 4.320 -0.000 0.000 0.275 312 K C 0.865 177.226 176.600 -0.399 0.000 1.103 312 K CA 0.138 56.080 56.287 -0.575 0.000 0.963 312 K CB 0.029 31.762 32.500 -1.278 0.000 1.243 312 K HN 0.683 nan 8.250 nan 0.000 0.407 313 T N -2.008 112.444 114.554 -0.170 0.000 3.042 313 T HA 0.060 4.409 4.350 -0.000 0.000 0.245 313 T C 0.443 174.953 174.700 -0.316 0.000 1.029 313 T CA 0.407 62.344 62.100 -0.271 0.000 1.120 313 T CB 0.147 68.767 68.868 -0.414 0.000 0.917 313 T HN 0.438 nan 8.240 nan 0.000 0.467 314 H N 1.373 120.625 119.070 0.304 0.000 2.906 314 H HA 0.488 5.044 4.556 -0.000 0.000 0.324 314 H C -0.550 174.915 175.328 0.228 0.000 0.973 314 H CA -0.751 55.445 56.048 0.246 0.000 1.321 314 H CB 1.234 31.079 29.762 0.139 0.000 1.535 314 H HN 0.220 nan 8.280 nan 0.000 0.518 315 R N 1.619 122.221 120.500 0.170 0.000 2.537 315 R HA 0.036 4.375 4.340 -0.000 0.000 0.280 315 R C -0.025 176.282 176.300 0.012 0.000 1.058 315 R CA -0.302 55.681 56.100 -0.196 0.000 1.057 315 R CB 0.567 30.721 30.300 -0.243 0.000 0.973 315 R HN 0.292 nan 8.270 nan 0.000 0.438 316 F N 4.064 123.933 119.950 -0.135 0.000 2.504 316 F HA 0.013 4.540 4.527 -0.000 0.000 0.369 316 F C 1.183 176.946 175.800 -0.061 0.000 1.082 316 F CA -0.567 57.398 58.000 -0.059 0.000 1.216 316 F CB 0.407 39.381 39.000 -0.043 0.000 1.108 316 F HN 0.522 nan 8.300 nan 0.000 0.554 317 I N 4.919 125.115 120.570 -0.624 0.000 2.361 317 I HA 0.120 4.290 4.170 -0.000 0.000 0.251 317 I C 1.128 176.826 176.117 -0.697 0.000 1.133 317 I CA 1.734 62.712 61.300 -0.537 0.000 1.413 317 I CB -1.122 36.656 38.000 -0.370 0.000 1.073 317 I HN 0.931 nan 8.210 nan 0.000 0.424 318 G N -0.579 107.344 108.800 -1.462 0.000 2.447 318 G HA2 0.044 4.004 3.960 -0.000 0.000 0.220 318 G HA3 0.044 4.004 3.960 -0.000 0.000 0.220 318 G C -0.661 173.973 174.900 -0.444 0.000 1.261 318 G CA -0.124 44.509 45.100 -0.778 0.000 1.000 318 G HN 0.635 nan 8.290 nan 0.000 0.515 319 S N -1.600 114.050 115.700 -0.083 0.000 2.564 319 S HA 0.736 5.206 4.470 -0.000 0.000 0.274 319 S C 0.243 174.970 174.600 0.211 0.000 1.124 319 S CA -0.277 57.959 58.200 0.060 0.000 0.869 319 S CB 1.567 64.809 63.200 0.071 0.000 1.105 319 S HN 1.106 nan 8.310 nan 0.000 0.472 320 L N 3.096 124.412 121.223 0.154 0.000 2.959 320 L HA 0.505 4.845 4.340 -0.000 0.000 0.259 320 L C 0.981 177.912 176.870 0.101 0.000 1.185 320 L CA -0.154 54.746 54.840 0.099 0.000 0.998 320 L CB 0.023 42.086 42.059 0.006 0.000 1.337 320 L HN 0.915 nan 8.230 nan 0.000 0.555 321 R N 1.441 122.076 120.500 0.226 0.000 3.267 321 R HA -0.140 4.200 4.340 -0.000 0.000 0.254 321 R C -0.129 176.282 176.300 0.185 0.000 0.993 321 R CA 0.529 56.759 56.100 0.216 0.000 0.670 321 R CB -1.494 28.863 30.300 0.095 0.000 1.125 321 R HN 0.237 nan 8.270 nan 0.000 0.434 325 T N -0.056 114.537 114.554 0.064 0.000 2.731 325 T HA 0.738 5.088 4.350 -0.000 0.000 0.300 325 T C -1.622 173.118 174.700 0.066 0.000 1.283 325 T CA -0.656 61.472 62.100 0.047 0.000 1.005 325 T CB 1.974 70.838 68.868 -0.006 0.000 1.420 325 T HN 0.628 nan 8.240 nan 0.000 0.503 326 K N 1.820 122.218 120.400 -0.003 0.000 2.471 326 K HA 0.705 5.025 4.320 -0.000 0.000 0.252 326 K C -1.856 174.691 176.600 -0.087 0.000 0.938 326 K CA -0.632 55.581 56.287 -0.124 0.000 0.796 326 K CB 1.706 34.050 32.500 -0.259 0.000 1.161 326 K HN 0.375 nan 8.250 nan 0.000 0.425 327 V N 4.401 124.273 119.914 -0.071 0.000 2.349 327 V HA 0.465 4.585 4.120 -0.000 0.000 0.284 327 V C 0.763 176.868 176.094 0.018 0.000 1.014 327 V CA 0.264 62.558 62.300 -0.011 0.000 0.826 327 V CB 0.414 32.237 31.823 -0.000 0.000 1.009 327 V HN 1.168 nan 8.190 nan 0.000 0.431 328 G N 4.945 113.737 108.800 -0.014 0.000 2.561 328 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.289 328 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.289 328 G C 0.404 175.218 174.900 -0.142 0.000 1.169 328 G CA 0.562 45.644 45.100 -0.030 0.000 0.980 328 G HN 0.587 nan 8.290 nan 0.000 0.550 329 D N 0.406 120.668 120.400 -0.230 0.000 2.340 329 D HA 0.196 4.835 4.640 -0.000 0.000 0.220 329 D C 0.244 176.254 176.300 -0.483 0.000 1.039 329 D CA 0.529 54.304 54.000 -0.375 0.000 0.866 329 D CB 0.121 40.665 40.800 -0.426 0.000 0.913 329 D HN 0.323 nan 8.370 nan 0.000 0.523 330 Y N 0.059 120.229 120.300 -0.216 0.000 2.313 330 Y HA 0.246 4.796 4.550 -0.000 0.000 0.332 330 Y C -0.069 175.660 175.900 -0.285 0.000 1.071 330 Y CA -0.699 57.287 58.100 -0.189 0.000 1.169 330 Y CB 0.527 38.906 38.460 -0.134 0.000 1.192 330 Y HN -0.171 nan 8.280 nan 0.000 0.487 331 Y N 3.605 123.980 120.300 0.124 0.000 2.328 331 Y HA 0.552 5.102 4.550 -0.000 0.000 0.337 331 Y C -0.496 175.442 175.900 0.064 0.000 1.008 331 Y CA -0.645 57.495 58.100 0.068 0.000 1.129 331 Y CB 0.871 39.358 38.460 0.046 0.000 1.185 331 Y HN 0.394 nan 8.280 nan 0.000 0.476 332 L N 3.312 124.643 121.223 0.180 0.000 2.381 332 L HA 0.950 5.290 4.340 -0.000 0.000 0.268 332 L C -0.574 176.475 176.870 0.298 0.000 0.997 332 L CA -0.874 54.066 54.840 0.166 0.000 0.818 332 L CB 2.032 44.041 42.059 -0.083 0.000 1.310 332 L HN 0.698 nan 8.230 nan 0.000 0.416 333 A N 1.705 124.762 122.820 0.396 0.000 2.572 333 A HA 0.886 5.206 4.320 -0.000 0.000 0.295 333 A C -1.100 176.544 177.584 0.101 0.000 1.072 333 A CA -0.489 51.672 52.037 0.207 0.000 0.691 333 A CB 2.229 21.296 19.000 0.111 0.000 1.291 333 A HN 0.521 nan 8.150 nan 0.000 0.404 334 S N -0.331 115.327 115.700 -0.069 0.000 2.565 334 S HA 0.859 5.329 4.470 -0.000 0.000 0.269 334 S C -1.105 173.454 174.600 -0.069 0.000 1.153 334 S CA 0.294 58.372 58.200 -0.205 0.000 0.835 334 S CB 1.993 64.873 63.200 -0.533 0.000 1.122 334 S HN 1.945 nan 8.310 nan 0.000 0.462 335 T N 1.570 116.073 114.554 -0.086 0.000 3.047 335 T HA 0.621 4.971 4.350 -0.000 0.000 0.340 335 T C 0.090 174.733 174.700 -0.094 0.000 1.421 335 T CA 1.103 63.170 62.100 -0.054 0.000 1.090 335 T CB 0.378 69.223 68.868 -0.038 0.000 1.292 335 T HN 2.350 nan 8.240 nan 0.000 0.480 336 G N 2.629 111.366 108.800 -0.105 0.000 2.593 336 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.237 336 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.237 336 G C -0.875 173.902 174.900 -0.205 0.000 1.312 336 G CA -0.284 44.727 45.100 -0.148 0.000 0.896 336 G HN 0.996 nan 8.290 nan 0.000 0.574 337 L N 1.550 122.650 121.223 -0.205 0.000 2.349 337 L HA 0.532 4.872 4.340 -0.000 0.000 0.275 337 L C 1.570 178.346 176.870 -0.156 0.000 1.115 337 L CA -0.107 54.611 54.840 -0.203 0.000 0.820 337 L CB 1.196 43.124 42.059 -0.219 0.000 1.135 337 L HN 1.012 nan 8.230 nan 0.000 0.445 338 T N -2.264 112.203 114.554 -0.145 0.000 2.847 338 T HA 0.130 4.480 4.350 -0.000 0.000 0.279 338 T C 0.860 175.517 174.700 -0.071 0.000 0.984 338 T CA -0.660 61.374 62.100 -0.110 0.000 0.988 338 T CB 1.666 70.470 68.868 -0.107 0.000 1.040 338 T HN 0.733 nan 8.240 nan 0.000 0.528 339 E N 0.344 120.511 120.200 -0.055 0.000 2.085 339 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 339 E C 1.867 178.456 176.600 -0.018 0.000 0.994 339 E CA 1.652 58.025 56.400 -0.045 0.000 0.801 339 E CB -0.439 29.235 29.700 -0.044 0.000 0.743 339 E HN 0.808 nan 8.360 nan 0.000 0.453 340 T N 0.699 115.242 114.554 -0.019 0.000 2.746 340 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 340 T C 1.499 176.213 174.700 0.022 0.000 1.039 340 T CA 1.413 63.510 62.100 -0.004 0.000 1.142 340 T CB -0.195 68.661 68.868 -0.020 0.000 0.866 340 T HN 0.280 nan 8.240 nan 0.000 0.444 341 E N 0.480 120.683 120.200 0.006 0.000 2.150 341 E HA -0.044 4.306 4.350 -0.000 0.000 0.193 341 E C 2.527 179.262 176.600 0.224 0.000 0.985 341 E CA 0.757 57.184 56.400 0.045 0.000 0.814 341 E CB -0.305 29.376 29.700 -0.033 0.000 0.752 341 E HN 0.540 nan 8.360 nan 0.000 0.466 342 G N 1.112 110.009 108.800 0.162 0.000 2.443 342 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.219 342 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.219 342 G C 1.510 176.568 174.900 0.264 0.000 1.131 342 G CA 0.215 45.458 45.100 0.239 0.000 0.775 342 G HN 0.116 nan 8.290 nan 0.000 0.547 343 L N -0.605 120.712 121.223 0.156 0.000 2.265 343 L HA 0.033 4.373 4.340 -0.000 0.000 0.215 343 L C 2.356 179.288 176.870 0.103 0.000 1.117 343 L CA 0.490 55.390 54.840 0.099 0.000 0.782 343 L CB -0.287 41.806 42.059 0.057 0.000 0.914 343 L HN 0.289 nan 8.230 nan 0.000 0.441 344 F N -0.101 119.825 119.950 -0.040 0.000 2.558 344 F HA 0.051 4.578 4.527 -0.000 0.000 0.298 344 F C 0.676 176.241 175.800 -0.392 0.000 1.119 344 F CA -0.093 57.765 58.000 -0.237 0.000 1.451 344 F CB 0.144 38.931 39.000 -0.356 0.000 1.091 344 F HN -0.230 nan 8.300 nan 0.000 0.563 345 F N 1.869 121.868 119.950 0.082 0.000 2.422 345 F HA 0.338 4.865 4.527 -0.000 0.000 0.333 345 F C -0.947 174.819 175.800 -0.056 0.000 1.095 345 F CA -2.353 55.651 58.000 0.007 0.000 1.038 345 F CB 0.390 39.431 39.000 0.070 0.000 1.156 345 F HN -0.260 nan 8.300 nan 0.000 0.483 346 P HA -0.187 nan 4.420 nan 0.000 0.215 346 P C -0.430 176.900 177.300 0.050 0.000 1.153 346 P CA 1.150 64.264 63.100 0.024 0.000 0.853 346 P CB -0.065 31.641 31.700 0.010 0.000 0.788 347 Q N 0.838 120.688 119.800 0.084 0.000 2.315 347 Q HA 0.128 4.468 4.340 -0.000 0.000 0.289 347 Q C -0.308 175.708 176.000 0.027 0.000 1.044 347 Q CA 0.336 56.166 55.803 0.045 0.000 0.920 347 Q CB -0.739 28.017 28.738 0.031 0.000 1.214 347 Q HN 0.000 nan 8.270 nan 0.000 0.392 348 T N 4.297 118.851 114.554 -0.000 0.000 2.761 348 T HA 0.379 4.729 4.350 -0.000 0.000 0.296 348 T C 0.094 174.754 174.700 -0.067 0.000 0.934 348 T CA -0.376 61.710 62.100 -0.023 0.000 1.091 348 T CB 0.155 69.010 68.868 -0.021 0.000 0.896 348 T HN 0.351 nan 8.240 nan 0.000 0.515 349 L N 2.273 123.437 121.223 -0.097 0.000 2.330 349 L HA 0.881 5.221 4.340 -0.000 0.000 0.271 349 L C 0.261 176.966 176.870 -0.275 0.000 1.013 349 L CA -1.161 53.562 54.840 -0.196 0.000 0.816 349 L CB 1.623 43.590 42.059 -0.155 0.000 1.287 349 L HN 0.675 nan 8.230 nan 0.000 0.435 350 A N 1.177 123.671 122.820 -0.543 0.000 2.486 350 A HA 0.956 5.276 4.320 -0.000 0.000 0.289 350 A C -0.733 176.513 177.584 -0.565 0.000 1.176 350 A CA -0.319 51.400 52.037 -0.529 0.000 0.757 350 A CB 2.076 20.743 19.000 -0.555 0.000 1.337 350 A HN 0.739 nan 8.150 nan 0.000 0.423 351 S N -0.887 114.680 115.700 -0.221 0.000 2.615 351 S HA 0.786 5.256 4.470 -0.000 0.000 0.269 351 S C -1.106 173.558 174.600 0.107 0.000 1.161 351 S CA -0.434 57.752 58.200 -0.023 0.000 0.817 351 S CB 1.113 64.289 63.200 -0.039 0.000 1.131 351 S HN 1.728 nan 8.310 nan 0.000 0.467 352 I N 0.838 121.487 120.570 0.132 0.000 2.827 352 I HA 0.541 4.711 4.170 -0.000 0.000 0.298 352 I C -1.890 174.267 176.117 0.067 0.000 1.235 352 I CA -1.251 60.112 61.300 0.105 0.000 1.021 352 I CB 1.635 39.711 38.000 0.128 0.000 1.259 352 I HN 0.732 nan 8.210 nan 0.000 0.427 353 I N 7.029 127.630 120.570 0.051 0.000 2.460 353 I HA 0.478 4.648 4.170 -0.000 0.000 0.298 353 I C -0.508 175.632 176.117 0.038 0.000 0.989 353 I CA -0.767 60.556 61.300 0.039 0.000 1.173 353 I CB 1.597 39.616 38.000 0.031 0.000 1.338 353 I HN 0.196 nan 8.210 nan 0.000 0.456 354 V N 6.744 126.675 119.914 0.029 0.000 2.531 354 V HA 0.436 4.556 4.120 -0.000 0.000 0.301 354 V C -0.279 175.829 176.094 0.024 0.000 1.034 354 V CA -0.776 61.540 62.300 0.027 0.000 0.865 354 V CB 2.245 34.073 31.823 0.008 0.000 0.995 354 V HN 0.638 nan 8.190 nan 0.000 0.424 355 R N 3.297 123.815 120.500 0.031 0.000 2.275 355 R HA 0.525 4.865 4.340 -0.000 0.000 0.326 355 R C -0.528 175.789 176.300 0.029 0.000 0.973 355 R CA -0.190 55.928 56.100 0.029 0.000 0.854 355 R CB 1.397 31.716 30.300 0.033 0.000 1.156 355 R HN 0.719 nan 8.270 nan 0.000 0.487 356 Q N 4.114 123.925 119.800 0.019 0.000 2.325 356 Q HA 0.422 4.762 4.340 -0.000 0.000 0.270 356 Q C -2.516 173.493 176.000 0.015 0.000 1.020 356 Q CA -2.360 53.453 55.803 0.016 0.000 0.785 356 Q CB 2.087 30.822 28.738 -0.006 0.000 1.259 356 Q HN 0.235 nan 8.270 nan 0.000 0.452 357 P HA 0.020 nan 4.420 nan 0.000 0.267 357 P C -1.022 176.282 177.300 0.007 0.000 1.205 357 P CA 0.189 63.306 63.100 0.028 0.000 0.765 357 P CB 0.799 32.527 31.700 0.047 0.000 0.828 358 A N 6.751 129.575 122.820 0.007 0.000 2.492 358 A HA 0.288 4.607 4.320 -0.000 0.000 0.236 358 A C -1.883 175.686 177.584 -0.025 0.000 1.078 358 A CA -0.767 51.262 52.037 -0.012 0.000 0.773 358 A CB -1.121 17.876 19.000 -0.005 0.000 1.023 358 A HN 0.422 nan 8.150 nan 0.000 0.504 359 P HA 0.301 nan 4.420 nan 0.000 0.274 359 P C -2.486 174.788 177.300 -0.043 0.000 1.246 359 P CA -0.993 62.071 63.100 -0.061 0.000 0.795 359 P CB -0.479 31.176 31.700 -0.075 0.000 1.006 364 G N 0.718 109.581 108.800 0.105 0.000 2.611 364 G HA2 0.229 4.189 3.960 -0.000 0.000 0.273 364 G HA3 0.229 4.189 3.960 -0.000 0.000 0.273 364 G C 0.278 175.209 174.900 0.051 0.000 1.305 364 G CA 0.303 45.441 45.100 0.063 0.000 1.010 364 G HN 0.062 nan 8.290 nan 0.000 0.509 365 T N -1.104 113.473 114.554 0.038 0.000 2.855 365 T HA 0.114 4.464 4.350 -0.000 0.000 0.314 365 T C 0.569 175.293 174.700 0.041 0.000 1.077 365 T CA -0.097 62.026 62.100 0.037 0.000 1.095 365 T CB 0.356 69.243 68.868 0.031 0.000 0.987 365 T HN 0.503 nan 8.240 nan 0.000 0.546 366 E N 2.607 122.836 120.200 0.047 0.000 2.414 366 E HA 0.163 4.513 4.350 -0.000 0.000 0.263 366 E C -0.561 176.071 176.600 0.054 0.000 1.000 366 E CA -0.091 56.338 56.400 0.049 0.000 0.914 366 E CB 0.330 30.062 29.700 0.053 0.000 0.948 366 E HN 0.525 nan 8.360 nan 0.000 0.444 367 I N 5.649 126.242 120.570 0.039 0.000 2.389 367 I HA 0.193 4.363 4.170 -0.000 0.000 0.288 367 I C -0.765 175.372 176.117 0.034 0.000 0.999 367 I CA -0.937 60.385 61.300 0.036 0.000 1.129 367 I CB 1.327 39.332 38.000 0.009 0.000 1.288 367 I HN 0.447 nan 8.210 nan 0.000 0.444 368 L N 6.859 128.109 121.223 0.046 0.000 2.298 368 L HA 0.784 5.124 4.340 -0.000 0.000 0.284 368 L C -0.098 176.798 176.870 0.043 0.000 1.013 368 L CA 0.125 54.988 54.840 0.038 0.000 0.824 368 L CB 1.380 43.460 42.059 0.035 0.000 1.221 368 L HN 0.592 nan 8.230 nan 0.000 0.418 369 G N 3.930 112.748 108.800 0.030 0.000 2.542 369 G HA2 0.517 4.477 3.960 -0.000 0.000 0.311 369 G HA3 0.517 4.477 3.960 -0.000 0.000 0.311 369 G C -1.697 173.221 174.900 0.030 0.000 1.298 369 G CA -0.685 44.433 45.100 0.031 0.000 0.973 369 G HN 0.599 nan 8.290 nan 0.000 0.487 370 K N 1.181 121.604 120.400 0.039 0.000 2.316 370 K HA 0.699 5.019 4.320 -0.000 0.000 0.251 370 K C -1.640 174.975 176.600 0.025 0.000 0.934 370 K CA -0.827 55.481 56.287 0.035 0.000 0.802 370 K CB 2.063 34.588 32.500 0.042 0.000 1.171 370 K HN 0.315 nan 8.250 nan 0.000 0.426 371 L N 4.954 126.203 121.223 0.043 0.000 2.356 371 L HA 0.496 4.836 4.340 -0.000 0.000 0.277 371 L C -1.574 175.360 176.870 0.105 0.000 0.996 371 L CA -0.611 54.265 54.840 0.059 0.000 0.822 371 L CB 1.521 43.616 42.059 0.061 0.000 1.256 371 L HN 0.599 nan 8.230 nan 0.000 0.413 372 I N 6.072 126.674 120.570 0.054 0.000 2.377 372 I HA 0.501 4.671 4.170 -0.000 0.000 0.293 372 I C -0.809 175.339 176.117 0.051 0.000 0.987 372 I CA -0.251 61.041 61.300 -0.013 0.000 1.185 372 I CB 1.269 39.224 38.000 -0.075 0.000 1.341 372 I HN 0.544 nan 8.210 nan 0.000 0.455 373 Y N 2.661 122.932 120.300 -0.049 0.000 2.597 373 Y HA 0.557 5.107 4.550 -0.000 0.000 0.340 373 Y C -0.755 175.122 175.900 -0.039 0.000 1.097 373 Y CA -1.542 56.529 58.100 -0.049 0.000 1.037 373 Y CB 0.778 39.215 38.460 -0.038 0.000 1.305 373 Y HN 0.483 nan 8.280 nan 0.000 0.463 374 D N 2.457 122.901 120.400 0.073 0.000 2.371 374 D HA 0.027 4.667 4.640 -0.000 0.000 0.256 374 D C 0.658 177.030 176.300 0.119 0.000 1.193 374 D CA 0.252 54.261 54.000 0.015 0.000 0.881 374 D CB 1.426 42.242 40.800 0.028 0.000 1.143 374 D HN 0.861 nan 8.370 nan 0.000 0.473 375 K N 2.624 123.023 120.400 -0.002 0.000 2.147 375 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 375 K C 1.561 178.237 176.600 0.126 0.000 1.049 375 K CA 0.817 57.159 56.287 0.091 0.000 0.936 375 K CB 0.349 32.846 32.500 -0.006 0.000 0.722 375 K HN 0.304 nan 8.250 nan 0.000 0.446 376 V N 0.259 120.218 119.914 0.075 0.000 2.300 376 V HA -0.160 3.960 4.120 -0.000 0.000 0.241 376 V C 2.300 178.435 176.094 0.068 0.000 1.034 376 V CA 2.112 64.450 62.300 0.063 0.000 1.021 376 V CB -0.266 31.579 31.823 0.037 0.000 0.662 376 V HN 0.548 nan 8.190 nan 0.000 0.458 377 T N -2.790 111.800 114.554 0.061 0.000 3.067 377 T HA -0.071 4.279 4.350 -0.000 0.000 0.261 377 T C 1.033 175.769 174.700 0.061 0.000 1.110 377 T CA 0.669 62.799 62.100 0.050 0.000 1.113 377 T CB -0.156 68.730 68.868 0.030 0.000 0.917 377 T HN 0.543 nan 8.240 nan 0.000 0.499 378 Q N 0.008 119.874 119.800 0.111 0.000 2.489 378 Q HA -0.140 4.200 4.340 -0.000 0.000 0.259 378 Q C -0.562 175.471 176.000 0.055 0.000 0.934 378 Q CA 0.221 56.089 55.803 0.108 0.000 1.131 378 Q CB -0.951 27.810 28.738 0.037 0.000 1.472 378 Q HN 0.513 nan 8.270 nan 0.000 0.560 379 R N 0.782 121.322 120.500 0.067 0.000 2.389 379 R HA 0.277 4.616 4.340 -0.000 0.000 0.295 379 R C 0.161 176.493 176.300 0.053 0.000 1.075 379 R CA -0.183 55.933 56.100 0.026 0.000 1.005 379 R CB 0.837 31.140 30.300 0.005 0.000 0.987 379 R HN -0.042 nan 8.270 nan 0.000 0.452 380 V N 5.639 125.562 119.914 0.015 0.000 2.572 380 V HA 0.040 4.160 4.120 -0.000 0.000 0.291 380 V C 1.479 177.568 176.094 -0.008 0.000 1.039 380 V CA 0.365 62.679 62.300 0.024 0.000 1.055 380 V CB 0.834 32.643 31.823 -0.022 0.000 0.969 380 V HN 0.692 nan 8.190 nan 0.000 0.482 381 L N 3.514 124.729 121.223 -0.014 0.000 2.993 381 L HA 0.541 4.881 4.340 -0.000 0.000 0.264 381 L C 0.802 177.616 176.870 -0.093 0.000 1.154 381 L CA 0.434 55.229 54.840 -0.074 0.000 0.972 381 L CB 0.855 42.847 42.059 -0.111 0.000 1.373 381 L HN 0.809 nan 8.230 nan 0.000 0.564 382 G N 0.062 108.822 108.800 -0.066 0.000 2.632 382 G HA2 0.707 4.667 3.960 -0.000 0.000 0.292 382 G HA3 0.707 4.667 3.960 -0.000 0.000 0.292 382 G C -2.075 172.791 174.900 -0.057 0.000 1.465 382 G CA 0.119 45.169 45.100 -0.083 0.000 0.824 382 G HN -0.002 nan 8.290 nan 0.000 0.509 383 A N 0.290 123.068 122.820 -0.070 0.000 2.549 383 A HA 0.903 5.222 4.320 -0.000 0.000 0.297 383 A C -0.914 176.630 177.584 -0.067 0.000 1.061 383 A CA -0.599 51.409 52.037 -0.049 0.000 0.690 383 A CB 1.963 20.939 19.000 -0.040 0.000 1.287 383 A HN 0.690 nan 8.150 nan 0.000 0.402 384 Q N 0.320 120.110 119.800 -0.017 0.000 2.359 384 Q HA 0.745 5.085 4.340 -0.000 0.000 0.274 384 Q C -1.614 174.469 176.000 0.139 0.000 1.074 384 Q CA -0.470 55.357 55.803 0.039 0.000 0.810 384 Q CB 2.882 31.677 28.738 0.094 0.000 1.342 384 Q HN 0.656 nan 8.270 nan 0.000 0.427 385 L N 0.841 122.209 121.223 0.242 0.000 2.422 385 L HA 0.780 5.120 4.340 -0.000 0.000 0.264 385 L C -1.261 175.734 176.870 0.208 0.000 0.984 385 L CA -1.020 53.925 54.840 0.176 0.000 0.819 385 L CB 2.244 44.369 42.059 0.110 0.000 1.330 385 L HN 0.680 nan 8.230 nan 0.000 0.410 386 C N 1.823 121.195 119.300 0.120 0.000 2.701 386 C HA 0.869 5.329 4.460 -0.000 0.000 0.336 386 C C -0.520 174.547 174.990 0.128 0.000 1.123 386 C CA -0.151 58.915 59.018 0.079 0.000 1.326 386 C CB 1.328 29.041 27.740 -0.046 0.000 1.833 386 C HN 0.934 nan 8.230 nan 0.000 0.473 387 S N 3.437 119.263 115.700 0.210 0.000 2.611 387 S HA 0.442 4.912 4.470 -0.000 0.000 0.270 387 S C -0.388 174.368 174.600 0.259 0.000 1.131 387 S CA -0.517 57.808 58.200 0.208 0.000 0.826 387 S CB 1.270 64.551 63.200 0.134 0.000 1.095 387 S HN 0.823 nan 8.310 nan 0.000 0.461 388 K N 0.892 121.387 120.400 0.157 0.000 2.404 388 K HA 0.177 4.497 4.320 -0.000 0.000 0.194 388 K C 0.418 177.155 176.600 0.228 0.000 1.023 388 K CA -0.089 56.252 56.287 0.090 0.000 1.094 388 K CB 0.079 32.537 32.500 -0.070 0.000 0.841 388 K HN 0.472 nan 8.250 nan 0.000 0.523 389 N N 1.736 120.544 118.700 0.180 0.000 2.430 389 N HA -0.002 4.738 4.740 -0.000 0.000 0.292 389 N C -1.107 174.328 175.510 -0.126 0.000 1.051 389 N CA -0.225 52.858 53.050 0.055 0.000 0.917 389 N CB 1.065 39.557 38.487 0.009 0.000 1.164 389 N HN -0.123 nan 8.380 nan 0.000 0.484 390 N N 2.924 121.326 118.700 -0.497 0.000 2.466 390 N HA 0.023 4.763 4.740 -0.000 0.000 0.263 390 N C 0.473 175.734 175.510 -0.416 0.000 1.178 390 N CA -0.455 51.995 53.050 -0.999 0.000 0.983 390 N CB -0.699 37.117 38.487 -1.117 0.000 1.331 390 N HN 0.541 nan 8.380 nan 0.000 0.500 391 C N 2.156 121.302 119.300 -0.257 0.000 2.994 391 C HA 0.363 4.822 4.460 -0.000 0.000 0.284 391 C C 2.030 176.973 174.990 -0.078 0.000 1.404 391 C CA -0.647 58.297 59.018 -0.123 0.000 1.775 391 C CB -1.519 26.181 27.740 -0.066 0.000 2.458 391 C HN 0.630 nan 8.230 nan 0.000 0.593 392 L N 1.217 122.386 121.223 -0.090 0.000 2.089 392 L HA -0.200 4.140 4.340 -0.000 0.000 0.213 392 L C 2.927 179.785 176.870 -0.021 0.000 1.079 392 L CA 2.174 57.002 54.840 -0.020 0.000 0.758 392 L CB -0.640 41.421 42.059 0.003 0.000 0.891 392 L HN 0.427 nan 8.230 nan 0.000 0.433 393 E N 0.936 121.115 120.200 -0.036 0.000 2.171 393 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 393 E C 1.977 178.568 176.600 -0.015 0.000 0.997 393 E CA 1.387 57.775 56.400 -0.021 0.000 0.810 393 E CB -0.056 29.634 29.700 -0.017 0.000 0.738 393 E HN 0.312 nan 8.360 nan 0.000 0.467 394 K N -0.393 119.994 120.400 -0.022 0.000 2.360 394 K HA -0.130 4.190 4.320 -0.000 0.000 0.201 394 K C 1.917 178.502 176.600 -0.025 0.000 1.046 394 K CA 0.918 57.188 56.287 -0.028 0.000 0.945 394 K CB -0.144 32.330 32.500 -0.044 0.000 0.750 394 K HN 0.209 nan 8.250 nan 0.000 0.464 395 I N 1.744 122.305 120.570 -0.015 0.000 2.439 395 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 395 I C 1.404 177.510 176.117 -0.018 0.000 1.139 395 I CA 1.119 62.411 61.300 -0.014 0.000 1.438 395 I CB -0.087 37.913 38.000 -0.000 0.000 1.085 395 I HN 0.118 nan 8.210 nan 0.000 0.427 396 N N -0.150 118.541 118.700 -0.016 0.000 2.188 396 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 396 N C 1.748 177.247 175.510 -0.019 0.000 1.018 396 N CA 1.859 54.900 53.050 -0.016 0.000 0.858 396 N CB -0.520 37.958 38.487 -0.014 0.000 0.989 396 N HN 0.356 nan 8.380 nan 0.000 0.426 397 T N 1.827 116.370 114.554 -0.018 0.000 2.737 397 T HA 0.033 4.383 4.350 -0.000 0.000 0.265 397 T C 2.195 176.876 174.700 -0.032 0.000 1.038 397 T CA 0.553 62.642 62.100 -0.019 0.000 1.144 397 T CB -0.247 68.613 68.868 -0.014 0.000 0.866 397 T HN 0.108 nan 8.240 nan 0.000 0.434 398 L N 0.808 122.008 121.223 -0.038 0.000 2.131 398 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 398 L C 2.956 179.800 176.870 -0.043 0.000 1.092 398 L CA 1.082 55.894 54.840 -0.046 0.000 0.759 398 L CB -0.580 41.450 42.059 -0.047 0.000 0.903 398 L HN 0.250 nan 8.230 nan 0.000 0.435 399 A N -0.312 122.486 122.820 -0.036 0.000 1.930 399 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 399 A C 2.175 179.736 177.584 -0.039 0.000 1.175 399 A CA 1.447 53.462 52.037 -0.036 0.000 0.627 399 A CB -0.591 18.393 19.000 -0.028 0.000 0.815 399 A HN 0.310 nan 8.150 nan 0.000 0.443 400 L N -0.276 120.926 121.223 -0.035 0.000 2.141 400 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 400 L C 2.583 179.430 176.870 -0.039 0.000 1.094 400 L CA 2.308 57.127 54.840 -0.035 0.000 0.763 400 L CB -0.737 41.306 42.059 -0.027 0.000 0.908 400 L HN 0.363 nan 8.230 nan 0.000 0.437 401 S N -0.654 115.022 115.700 -0.040 0.000 2.348 401 S HA -0.160 4.310 4.470 -0.000 0.000 0.221 401 S C 2.031 176.603 174.600 -0.047 0.000 1.033 401 S CA 1.677 59.850 58.200 -0.045 0.000 1.010 401 S CB -0.335 62.834 63.200 -0.052 0.000 0.891 401 S HN 0.464 nan 8.310 nan 0.000 0.442 402 I N 1.095 121.636 120.570 -0.049 0.000 2.142 402 I HA -0.189 3.981 4.170 -0.000 0.000 0.240 402 I C 2.797 178.882 176.117 -0.054 0.000 1.078 402 I CA 1.651 62.920 61.300 -0.052 0.000 1.343 402 I CB -0.467 37.498 38.000 -0.058 0.000 1.046 402 I HN 0.394 nan 8.210 nan 0.000 0.405 403 Q N -0.252 119.515 119.800 -0.055 0.000 2.368 403 Q HA -0.210 4.130 4.340 -0.000 0.000 0.210 403 Q C 1.852 177.817 176.000 -0.058 0.000 0.982 403 Q CA 1.486 57.251 55.803 -0.062 0.000 0.884 403 Q CB 0.040 28.738 28.738 -0.067 0.000 0.933 403 Q HN 0.345 nan 8.270 nan 0.000 0.460 404 T N -1.978 112.547 114.554 -0.049 0.000 3.069 404 T HA 0.227 4.577 4.350 -0.000 0.000 0.252 404 T C 0.661 175.338 174.700 -0.039 0.000 1.053 404 T CA 0.723 62.797 62.100 -0.042 0.000 0.964 404 T CB 0.069 68.915 68.868 -0.037 0.000 1.005 404 T HN 0.560 nan 8.240 nan 0.000 0.532 405 G N 2.061 110.836 108.800 -0.041 0.000 2.182 405 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.248 405 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.248 405 G C -0.191 174.687 174.900 -0.037 0.000 1.042 405 G CA -0.170 44.907 45.100 -0.037 0.000 0.775 405 G HN 0.569 nan 8.290 nan 0.000 0.501 406 Q N 0.353 120.128 119.800 -0.042 0.000 2.394 406 Q HA 0.479 4.819 4.340 -0.000 0.000 0.248 406 Q C 1.131 177.100 176.000 -0.053 0.000 0.992 406 Q CA 0.683 56.457 55.803 -0.049 0.000 0.888 406 Q CB 0.853 29.558 28.738 -0.056 0.000 1.257 406 Q HN 0.613 nan 8.270 nan 0.000 0.462 407 T N -1.987 112.527 114.554 -0.066 0.000 2.897 407 T HA 0.327 4.677 4.350 -0.000 0.000 0.278 407 T C 1.311 175.939 174.700 -0.121 0.000 0.981 407 T CA -0.768 61.287 62.100 -0.076 0.000 0.973 407 T CB 0.506 69.329 68.868 -0.076 0.000 1.092 407 T HN 0.544 nan 8.240 nan 0.000 0.543 408 L N 0.089 121.221 121.223 -0.153 0.000 2.079 408 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 408 L C 3.143 179.849 176.870 -0.274 0.000 1.081 408 L CA 1.484 56.191 54.840 -0.222 0.000 0.752 408 L CB -1.104 40.799 42.059 -0.260 0.000 0.896 408 L HN 0.818 nan 8.230 nan 0.000 0.433 409 T N -0.842 113.519 114.554 -0.322 0.000 2.746 409 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 409 T C 1.464 176.020 174.700 -0.241 0.000 1.039 409 T CA 1.448 63.303 62.100 -0.410 0.000 1.142 409 T CB -0.186 68.439 68.868 -0.406 0.000 0.866 409 T HN 0.355 nan 8.240 nan 0.000 0.444 410 D N 0.958 121.259 120.400 -0.164 0.000 2.117 410 D HA -0.046 4.594 4.640 -0.000 0.000 0.198 410 D C 2.066 178.308 176.300 -0.097 0.000 0.982 410 D CA 0.660 54.596 54.000 -0.107 0.000 0.828 410 D CB -0.413 40.339 40.800 -0.080 0.000 0.967 410 D HN 0.213 nan 8.370 nan 0.000 0.464 411 L N 1.416 122.569 121.223 -0.118 0.000 2.083 411 L HA -0.073 4.266 4.340 -0.000 0.000 0.209 411 L C 2.201 178.999 176.870 -0.120 0.000 1.083 411 L CA 1.203 55.974 54.840 -0.115 0.000 0.752 411 L CB -0.782 41.197 42.059 -0.134 0.000 0.899 411 L HN 0.040 nan 8.230 nan 0.000 0.433 412 L N -0.145 120.989 121.223 -0.148 0.000 2.079 412 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 412 L C 1.960 178.858 176.870 0.046 0.000 1.081 412 L CA 2.033 56.812 54.840 -0.102 0.000 0.752 412 L CB -0.219 41.709 42.059 -0.218 0.000 0.896 412 L HN 0.696 nan 8.230 nan 0.000 0.433 413 Q N 0.307 120.112 119.800 0.009 0.000 2.172 413 Q HA 0.138 4.478 4.340 -0.000 0.000 0.217 413 Q C 0.033 176.083 176.000 0.083 0.000 0.832 413 Q CA -0.524 55.324 55.803 0.075 0.000 1.010 413 Q CB 0.028 28.778 28.738 0.019 0.000 1.133 413 Q HN 0.441 nan 8.270 nan 0.000 0.489 414 K N 0.462 120.902 120.400 0.067 0.000 2.319 414 K HA 0.132 4.452 4.320 -0.000 0.000 0.265 414 K C -0.824 175.868 176.600 0.153 0.000 1.000 414 K CA -0.465 55.864 56.287 0.070 0.000 0.943 414 K CB 0.533 33.053 32.500 0.034 0.000 0.950 414 K HN -0.124 nan 8.250 nan 0.000 0.485 415 D N 0.859 121.320 120.400 0.102 0.000 2.423 415 D HA 0.104 4.744 4.640 -0.000 0.000 0.238 415 D C -0.955 175.464 176.300 0.198 0.000 1.142 415 D CA 0.865 54.916 54.000 0.086 0.000 0.884 415 D CB 0.223 41.048 40.800 0.042 0.000 1.199 415 D HN 0.508 nan 8.370 nan 0.000 0.438 416 Y N -0.609 119.734 120.300 0.072 0.000 2.641 416 Y HA 0.463 5.012 4.550 -0.000 0.000 0.333 416 Y C -1.611 174.382 175.900 0.154 0.000 1.174 416 Y CA -1.738 56.410 58.100 0.081 0.000 1.057 416 Y CB 0.440 38.896 38.460 -0.006 0.000 1.322 416 Y HN 0.284 nan 8.280 nan 0.000 0.457 417 F N 2.001 122.054 119.950 0.171 0.000 2.397 417 F HA 0.772 5.298 4.527 -0.000 0.000 0.331 417 F C -1.455 174.481 175.800 0.227 0.000 1.090 417 F CA -1.411 56.642 58.000 0.089 0.000 1.065 417 F CB 1.266 40.297 39.000 0.052 0.000 1.184 417 F HN 0.670 nan 8.300 nan 0.000 0.499 418 Y N 3.189 123.539 120.300 0.084 0.000 2.462 418 Y HA 0.586 5.136 4.550 -0.000 0.000 0.346 418 Y C -1.382 174.606 175.900 0.148 0.000 0.976 418 Y CA -0.777 57.333 58.100 0.017 0.000 1.044 418 Y CB 1.773 40.261 38.460 0.046 0.000 1.230 418 Y HN 0.889 nan 8.280 nan 0.000 0.455 419 Q N 7.473 126.786 119.800 -0.811 0.000 2.443 419 Q HA 0.395 4.735 4.340 -0.000 0.000 0.241 419 Q C -2.870 172.710 176.000 -0.700 0.000 0.880 419 Q CA -1.615 53.878 55.803 -0.516 0.000 0.974 419 Q CB 2.087 30.827 28.738 0.003 0.000 1.482 419 Q HN 0.374 nan 8.270 nan 0.000 0.448 420 P HA -0.218 nan 4.420 nan 0.000 0.219 420 P C 0.423 177.622 177.300 -0.169 0.000 1.153 420 P CA 1.991 64.907 63.100 -0.306 0.000 0.865 420 P CB 0.311 31.964 31.700 -0.078 0.000 0.788 421 S N -2.045 113.582 115.700 -0.122 0.000 2.558 421 S HA 0.157 4.626 4.470 -0.000 0.000 0.217 421 S C 1.402 175.969 174.600 -0.055 0.000 0.975 421 S CA 0.526 58.689 58.200 -0.063 0.000 0.912 421 S CB -0.305 62.877 63.200 -0.031 0.000 0.776 421 S HN 0.138 nan 8.310 nan 0.000 0.526 422 L N 0.244 121.419 121.223 -0.080 0.000 2.902 422 L HA 0.261 4.601 4.340 -0.000 0.000 0.254 422 L C 0.890 177.698 176.870 -0.104 0.000 1.115 422 L CA 0.077 54.897 54.840 -0.035 0.000 0.947 422 L CB 0.380 42.493 42.059 0.091 0.000 1.369 422 L HN 0.234 nan 8.230 nan 0.000 0.538 423 T N -3.453 110.975 114.554 -0.209 0.000 2.838 423 T HA 0.489 4.839 4.350 -0.000 0.000 0.292 423 T C -0.493 174.136 174.700 -0.118 0.000 1.113 423 T CA -0.779 61.184 62.100 -0.228 0.000 1.008 423 T CB 2.276 70.901 68.868 -0.404 0.000 1.259 423 T HN -0.196 nan 8.240 nan 0.000 0.520 424 N N -0.294 118.386 118.700 -0.034 0.000 2.447 424 N HA 0.491 5.231 4.740 -0.000 0.000 0.271 424 N C 1.480 177.164 175.510 0.290 0.000 1.226 424 N CA -0.967 52.128 53.050 0.075 0.000 0.980 424 N CB 0.712 39.206 38.487 0.011 0.000 1.206 424 N HN 0.636 nan 8.380 nan 0.000 0.558 425 I N -0.379 120.365 120.570 0.290 0.000 2.226 425 I HA -0.209 3.960 4.170 -0.000 0.000 0.245 425 I C 0.170 176.469 176.117 0.304 0.000 1.100 425 I CA 1.282 62.719 61.300 0.229 0.000 1.374 425 I CB -0.000 38.026 38.000 0.045 0.000 1.057 425 I HN 0.398 nan 8.210 nan 0.000 0.413 426 Y N 1.920 122.231 120.300 0.017 0.000 2.326 426 Y HA 0.282 4.832 4.550 -0.000 0.000 0.331 426 Y C -0.130 175.555 175.900 -0.358 0.000 0.962 426 Y CA -2.095 55.911 58.100 -0.157 0.000 1.167 426 Y CB 0.397 38.824 38.460 -0.055 0.000 1.148 426 Y HN -0.006 nan 8.280 nan 0.000 0.463 427 D N 5.540 125.358 120.400 -0.970 0.000 2.533 427 D HA -0.119 4.521 4.640 -0.000 0.000 0.236 427 D C 1.457 177.350 176.300 -0.679 0.000 1.137 427 D CA 0.636 54.167 54.000 -0.781 0.000 0.867 427 D CB 0.859 41.114 40.800 -0.909 0.000 1.170 427 D HN 0.938 nan 8.370 nan 0.000 0.474 428 I N 3.186 123.521 120.570 -0.392 0.000 2.335 428 I HA -0.317 3.853 4.170 -0.000 0.000 0.251 428 I C 2.120 178.052 176.117 -0.308 0.000 1.129 428 I CA 1.619 62.742 61.300 -0.294 0.000 1.402 428 I CB 0.047 37.951 38.000 -0.160 0.000 1.069 428 I HN 0.562 nan 8.210 nan 0.000 0.424 429 T N -1.460 112.908 114.554 -0.310 0.000 2.674 429 T HA -0.190 4.160 4.350 -0.000 0.000 0.265 429 T C 1.741 176.248 174.700 -0.321 0.000 1.039 429 T CA 1.637 63.587 62.100 -0.250 0.000 1.150 429 T CB -0.833 67.923 68.868 -0.187 0.000 0.864 429 T HN 0.440 nan 8.240 nan 0.000 0.427 430 N N 1.181 119.589 118.700 -0.487 0.000 2.120 430 N HA -0.006 4.734 4.740 -0.000 0.000 0.188 430 N C 1.009 176.162 175.510 -0.595 0.000 1.024 430 N CA 0.469 53.191 53.050 -0.547 0.000 0.852 430 N CB -0.389 37.607 38.487 -0.819 0.000 1.003 430 N HN 0.289 nan 8.380 nan 0.000 0.424 434 A N 1.536 124.124 122.820 -0.386 0.000 1.877 434 A HA 0.106 4.426 4.320 -0.000 0.000 0.216 434 A C 2.538 179.614 177.584 -0.848 0.000 1.186 434 A CA 2.769 54.365 52.037 -0.734 0.000 0.620 434 A CB -0.800 17.677 19.000 -0.873 0.000 0.822 434 A HN 0.603 nan 8.150 nan 0.000 0.443 435 S N 0.028 115.464 115.700 -0.440 0.000 2.374 435 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 435 S C 2.289 176.855 174.600 -0.057 0.000 1.037 435 S CA 1.402 59.549 58.200 -0.089 0.000 1.024 435 S CB -0.544 62.669 63.200 0.021 0.000 0.861 435 S HN 0.829 nan 8.310 nan 0.000 0.456 436 A N 0.597 123.327 122.820 -0.150 0.000 1.902 436 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 436 A C 1.969 179.432 177.584 -0.203 0.000 1.181 436 A CA 1.618 53.534 52.037 -0.202 0.000 0.623 436 A CB -0.975 17.725 19.000 -0.499 0.000 0.818 436 A HN 0.559 nan 8.150 nan 0.000 0.443 437 Y N -0.424 119.658 120.300 -0.365 0.000 2.097 437 Y HA -0.257 4.293 4.550 -0.000 0.000 0.282 437 Y C 2.247 178.107 175.900 -0.065 0.000 1.152 437 Y CA 1.784 59.719 58.100 -0.274 0.000 1.136 437 Y CB -0.531 37.711 38.460 -0.362 0.000 0.975 437 Y HN 0.455 nan 8.280 nan 0.000 0.498 438 W N 0.705 121.920 121.300 -0.142 0.000 2.335 438 W HA -0.187 4.473 4.660 -0.000 0.000 0.311 438 W C 2.698 179.120 176.519 -0.162 0.000 1.213 438 W CA 1.499 58.721 57.345 -0.205 0.000 1.274 438 W CB -1.250 28.177 29.460 -0.054 0.000 1.148 438 W HN 0.075 nan 8.180 nan 0.000 0.498 439 R N 0.966 121.553 120.500 0.145 0.000 2.105 439 R HA -0.164 4.176 4.340 -0.000 0.000 0.239 439 R C 1.713 178.037 176.300 0.040 0.000 1.135 439 R CA 1.462 57.616 56.100 0.090 0.000 0.967 439 R CB -0.467 29.893 30.300 0.101 0.000 0.861 439 R HN 0.154 nan 8.270 nan 0.000 0.442 440 E N -0.011 120.188 120.200 -0.001 0.000 2.204 440 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 440 E C 1.705 178.273 176.600 -0.054 0.000 0.989 440 E CA 0.711 57.110 56.400 -0.002 0.000 0.824 440 E CB -0.279 29.420 29.700 -0.002 0.000 0.756 440 E HN 0.503 nan 8.360 nan 0.000 0.477 441 N N 0.669 119.290 118.700 -0.132 0.000 2.171 441 N HA -0.119 4.621 4.740 -0.000 0.000 0.184 441 N C 1.413 176.887 175.510 -0.060 0.000 1.021 441 N CA 0.633 53.600 53.050 -0.138 0.000 0.854 441 N CB 0.128 38.481 38.487 -0.224 0.000 0.994 441 N HN 0.098 nan 8.380 nan 0.000 0.426 442 D N 1.008 121.389 120.400 -0.032 0.000 2.149 442 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 442 D C 0.512 176.807 176.300 -0.008 0.000 0.990 442 D CA 1.219 55.210 54.000 -0.015 0.000 0.839 442 D CB 0.048 40.850 40.800 0.003 0.000 0.948 442 D HN 0.445 nan 8.370 nan 0.000 0.460 443 E N 0.000 120.200 120.200 -0.001 0.000 2.725 443 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 443 E CA 0.000 56.404 56.400 0.007 0.000 0.976 443 E CB 0.000 29.712 29.700 0.021 0.000 0.812 443 E HN 0.000 nan 8.360 nan 0.000 0.440