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 1kzo_1_B DATA FIRST_RESID 17 DATA SEQUENCE PVWSEPLYSL RPEHARERLQ DDSVETVTSI EQAKVEEKIQ EVFSSYKFNH DATA SEQUENCE LVPRLVLQRE KHFHYLKRGL RQLTDAYECL DASRPWLCYW ILHSLELLDE DATA SEQUENCE PIPQIVATDV CQFLELCQSP DGGFGGGPGQ YPHLAPTYAA VNALCIIGTE DATA SEQUENCE EAYNVINREK LLQYLYSLKQ PDGSFLMHVG GEVDVRSAYC AASVASLTNI DATA SEQUENCE ITPDLFEGTA EWIARCQNWE GGIGGVPGME AHGGYTFCGL AALVILKKER DATA SEQUENCE SLNLKSLLQW VTSRQMRFEG GFQGRCNKLV DGCYSFWQAG LLPLLHRALH DATA SEQUENCE AQGDPALSMS HWMFHQQALQ EYILMCCQCP AGGLLDKPGK SRDFYHTCYC DATA SEQUENCE LSGLSIAQHF GSGAMLHDVV MGVPENVLQP THPVYNIGPD KVIQATTHFL DATA SEQUENCE QKPVPGF 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 17 P HA 0.000 nan 4.420 nan 0.000 0.216 17 P C 0.000 176.998 177.300 -0.504 0.000 1.155 17 P CA 0.000 62.804 63.100 -0.493 0.000 0.800 17 P CB 0.000 31.144 31.700 -0.927 0.000 0.726 18 V N 0.614 120.310 119.914 -0.362 0.000 2.649 18 V HA -0.020 4.100 4.120 -0.000 0.000 0.248 18 V C 1.182 177.180 176.094 -0.160 0.000 1.054 18 V CA 1.498 63.690 62.300 -0.180 0.000 1.073 18 V CB -0.400 31.414 31.823 -0.015 0.000 0.699 18 V HN 0.638 nan 8.190 nan 0.000 0.463 19 W N -0.188 121.107 121.300 -0.009 0.000 2.937 19 W HA 0.276 4.936 4.660 -0.000 0.000 0.245 19 W C 0.521 177.031 176.519 -0.016 0.000 1.306 19 W CA 0.033 57.373 57.345 -0.009 0.000 1.470 19 W CB -1.301 28.155 29.460 -0.006 0.000 1.132 19 W HN 0.274 nan 8.180 nan 0.000 0.675 20 S N 2.432 117.744 115.700 -0.647 0.000 2.465 20 S HA 0.082 4.552 4.470 -0.000 0.000 0.280 20 S C -0.161 174.309 174.600 -0.217 0.000 1.232 20 S CA 0.090 57.977 58.200 -0.522 0.000 1.066 20 S CB 0.968 63.755 63.200 -0.690 0.000 0.929 20 S HN 0.093 nan 8.310 nan 0.000 0.494 21 E N 5.145 125.283 120.200 -0.104 0.000 2.105 21 E HA 0.215 4.564 4.350 -0.000 0.000 0.285 21 E C -1.362 175.176 176.600 -0.103 0.000 1.055 21 E CA -2.229 54.116 56.400 -0.091 0.000 0.843 21 E CB 0.708 30.370 29.700 -0.064 0.000 1.067 21 E HN 0.249 nan 8.360 nan 0.000 0.398 22 P HA -0.101 nan 4.420 nan 0.000 0.223 22 P C -0.040 177.212 177.300 -0.080 0.000 1.151 22 P CA 0.651 63.695 63.100 -0.094 0.000 0.787 22 P CB 0.339 31.979 31.700 -0.100 0.000 0.788 23 L N 0.136 121.287 121.223 -0.120 0.000 2.283 23 L HA 0.167 4.507 4.340 -0.000 0.000 0.287 23 L C 1.903 178.676 176.870 -0.161 0.000 1.073 23 L CA -0.719 54.034 54.840 -0.145 0.000 0.822 23 L CB 0.350 42.273 42.059 -0.226 0.000 1.186 23 L HN -0.149 nan 8.230 nan 0.000 0.436 24 Y N 3.045 123.200 120.300 -0.241 0.000 2.139 24 Y HA -0.366 4.184 4.550 -0.000 0.000 0.282 24 Y C 2.399 177.978 175.900 -0.535 0.000 1.179 24 Y CA 2.319 60.261 58.100 -0.264 0.000 1.161 24 Y CB 0.229 38.576 38.460 -0.189 0.000 0.970 24 Y HN 0.666 nan 8.280 nan 0.000 0.511 25 S N 0.104 115.342 115.700 -0.770 0.000 2.447 25 S HA -0.075 4.395 4.470 -0.000 0.000 0.233 25 S C 1.683 175.509 174.600 -1.290 0.000 1.006 25 S CA 1.311 58.506 58.200 -1.676 0.000 0.957 25 S CB -0.278 61.694 63.200 -2.048 0.000 0.773 25 S HN 0.482 nan 8.310 nan 0.000 0.507 26 L N 0.367 121.166 121.223 -0.708 0.000 2.567 26 L HA 0.214 4.554 4.340 -0.000 0.000 0.225 26 L C 0.709 177.445 176.870 -0.222 0.000 1.119 26 L CA 0.014 54.621 54.840 -0.388 0.000 0.871 26 L CB -0.206 41.684 42.059 -0.282 0.000 1.036 26 L HN 0.078 nan 8.230 nan 0.000 0.459 27 R N 0.963 121.321 120.500 -0.237 0.000 2.643 27 R HA 0.064 4.404 4.340 -0.000 0.000 0.270 27 R C -1.374 174.904 176.300 -0.037 0.000 1.061 27 R CA -1.368 54.667 56.100 -0.108 0.000 1.107 27 R CB 0.176 30.405 30.300 -0.118 0.000 0.999 27 R HN -0.182 nan 8.270 nan 0.000 0.460 28 P HA -0.174 nan 4.420 nan 0.000 0.216 28 P C 0.189 177.507 177.300 0.031 0.000 1.150 28 P CA 1.263 64.383 63.100 0.033 0.000 0.837 28 P CB 0.292 32.015 31.700 0.039 0.000 0.786 29 E N -2.077 118.129 120.200 0.011 0.000 2.204 29 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 29 E C 1.859 178.445 176.600 -0.023 0.000 0.989 29 E CA 0.883 57.279 56.400 -0.006 0.000 0.824 29 E CB -1.140 28.550 29.700 -0.016 0.000 0.756 29 E HN 0.430 nan 8.360 nan 0.000 0.477 30 H N 0.600 119.582 119.070 -0.146 0.000 2.422 30 H HA -0.029 4.527 4.556 -0.000 0.000 0.298 30 H C 1.854 177.208 175.328 0.044 0.000 1.098 30 H CA 1.547 57.491 56.048 -0.172 0.000 1.315 30 H CB -0.127 29.441 29.762 -0.324 0.000 1.382 30 H HN 0.213 nan 8.280 nan 0.000 0.523 31 A N 0.560 123.446 122.820 0.110 0.000 2.070 31 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 31 A C 2.260 179.865 177.584 0.035 0.000 1.159 31 A CA 1.263 53.383 52.037 0.138 0.000 0.656 31 A CB -0.351 18.719 19.000 0.117 0.000 0.800 31 A HN 0.468 nan 8.150 nan 0.000 0.453 32 R N -0.291 120.203 120.500 -0.011 0.000 2.280 32 R HA -0.026 4.314 4.340 -0.000 0.000 0.207 32 R C 0.701 176.973 176.300 -0.046 0.000 1.043 32 R CA 0.736 56.819 56.100 -0.028 0.000 1.006 32 R CB 0.005 30.290 30.300 -0.024 0.000 0.885 32 R HN 0.438 nan 8.270 nan 0.000 0.467 33 E N 0.655 120.812 120.200 -0.073 0.000 2.502 33 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 33 E C 0.283 176.881 176.600 -0.003 0.000 1.062 33 E CA 0.252 56.620 56.400 -0.054 0.000 0.867 33 E CB 0.080 29.668 29.700 -0.187 0.000 0.888 33 E HN 0.082 nan 8.360 nan 0.000 0.510 34 R N 0.902 121.347 120.500 -0.091 0.000 2.694 34 R HA 0.078 4.418 4.340 -0.000 0.000 0.268 34 R C 0.541 176.746 176.300 -0.158 0.000 1.061 34 R CA -0.631 55.305 56.100 -0.274 0.000 1.133 34 R CB 0.139 30.261 30.300 -0.296 0.000 1.020 34 R HN 0.068 nan 8.270 nan 0.000 0.475 35 L N 2.057 123.175 121.223 -0.175 0.000 2.525 35 L HA -0.069 4.271 4.340 -0.000 0.000 0.278 35 L C -0.100 176.724 176.870 -0.077 0.000 1.218 35 L CA 1.151 55.931 54.840 -0.101 0.000 0.878 35 L CB 0.280 42.281 42.059 -0.097 0.000 1.127 35 L HN 0.418 nan 8.230 nan 0.000 0.492 36 Q N 3.383 123.154 119.800 -0.050 0.000 2.381 36 Q HA 0.179 4.519 4.340 -0.000 0.000 0.263 36 Q C -0.284 175.700 176.000 -0.028 0.000 1.030 36 Q CA -0.391 55.390 55.803 -0.037 0.000 0.772 36 Q CB 1.096 29.818 28.738 -0.027 0.000 1.232 36 Q HN 0.744 nan 8.270 nan 0.000 0.476 37 D N 1.783 122.166 120.400 -0.028 0.000 2.328 37 D HA -0.094 4.545 4.640 -0.000 0.000 0.226 37 D C -0.291 176.001 176.300 -0.012 0.000 1.066 37 D CA 0.040 54.028 54.000 -0.019 0.000 0.861 37 D CB 0.247 41.035 40.800 -0.021 0.000 0.912 37 D HN 0.456 nan 8.370 nan 0.000 0.521 38 D N -0.195 120.198 120.400 -0.012 0.000 3.018 38 D HA -0.244 4.396 4.640 -0.000 0.000 0.224 38 D C -0.111 176.184 176.300 -0.007 0.000 1.185 38 D CA 1.181 55.176 54.000 -0.008 0.000 0.858 38 D CB -1.740 39.058 40.800 -0.004 0.000 1.112 38 D HN 0.297 nan 8.370 nan 0.000 0.415 39 S N -2.833 112.861 115.700 -0.009 0.000 3.382 39 S HA -0.221 4.248 4.470 -0.000 0.000 0.293 39 S C 0.236 174.833 174.600 -0.006 0.000 1.262 39 S CA 0.881 59.077 58.200 -0.008 0.000 0.969 39 S CB -0.945 62.251 63.200 -0.007 0.000 1.136 39 S HN 0.362 nan 8.310 nan 0.000 0.635 40 V N 2.153 122.064 119.914 -0.005 0.000 2.284 40 V HA 0.269 4.389 4.120 -0.000 0.000 0.274 40 V C 0.358 176.451 176.094 -0.002 0.000 1.023 40 V CA -0.501 61.798 62.300 -0.002 0.000 0.808 40 V CB 1.302 33.125 31.823 0.000 0.000 1.035 40 V HN 0.322 nan 8.190 nan 0.000 0.445 41 E N 3.314 123.513 120.200 -0.002 0.000 2.259 41 E HA 0.547 4.897 4.350 -0.000 0.000 0.281 41 E C 0.112 176.713 176.600 0.002 0.000 1.027 41 E CA -0.179 56.220 56.400 -0.003 0.000 0.838 41 E CB 1.685 31.383 29.700 -0.004 0.000 1.066 41 E HN 0.786 nan 8.360 nan 0.000 0.401 42 T N -2.085 112.471 114.554 0.003 0.000 2.865 42 T HA 0.208 4.558 4.350 -0.000 0.000 0.294 42 T C 1.047 175.752 174.700 0.009 0.000 1.119 42 T CA -0.831 61.274 62.100 0.008 0.000 1.007 42 T CB 0.963 69.838 68.868 0.012 0.000 1.225 42 T HN 0.098 nan 8.240 nan 0.000 0.515 43 V N 1.123 121.044 119.914 0.013 0.000 2.324 43 V HA -0.208 3.912 4.120 -0.000 0.000 0.250 43 V C 2.907 179.011 176.094 0.016 0.000 1.060 43 V CA 2.771 65.080 62.300 0.015 0.000 1.042 43 V CB -1.499 30.336 31.823 0.020 0.000 0.650 43 V HN 1.102 nan 8.190 nan 0.000 0.450 44 T N 0.563 115.128 114.554 0.019 0.000 2.652 44 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 44 T C 2.135 176.841 174.700 0.009 0.000 1.039 44 T CA 2.105 64.217 62.100 0.019 0.000 1.153 44 T CB -0.447 68.435 68.868 0.023 0.000 0.863 44 T HN 0.755 nan 8.240 nan 0.000 0.428 45 S N 1.619 117.321 115.700 0.004 0.000 2.368 45 S HA -0.045 4.425 4.470 -0.000 0.000 0.225 45 S C 2.125 176.719 174.600 -0.011 0.000 1.030 45 S CA 0.892 59.088 58.200 -0.006 0.000 0.999 45 S CB -0.874 62.321 63.200 -0.008 0.000 0.844 45 S HN 0.483 nan 8.310 nan 0.000 0.459 46 I N 1.823 122.389 120.570 -0.005 0.000 2.163 46 I HA -0.154 4.016 4.170 -0.000 0.000 0.243 46 I C 2.953 179.067 176.117 -0.005 0.000 1.085 46 I CA 1.553 62.849 61.300 -0.007 0.000 1.347 46 I CB -0.397 37.603 38.000 -0.001 0.000 1.044 46 I HN 0.276 nan 8.210 nan 0.000 0.408 47 E N 0.314 120.515 120.200 0.003 0.000 2.072 47 E HA -0.267 4.083 4.350 -0.000 0.000 0.191 47 E C 2.025 178.628 176.600 0.005 0.000 0.985 47 E CA 1.180 57.585 56.400 0.008 0.000 0.801 47 E CB -0.299 29.412 29.700 0.018 0.000 0.750 47 E HN 0.417 nan 8.360 nan 0.000 0.452 48 Q N 0.875 120.674 119.800 -0.001 0.000 2.084 48 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 48 Q C 1.946 177.929 176.000 -0.027 0.000 0.978 48 Q CA 1.958 57.757 55.803 -0.007 0.000 0.844 48 Q CB -0.447 28.283 28.738 -0.013 0.000 0.898 48 Q HN 0.191 nan 8.270 nan 0.000 0.426 49 A N 0.504 123.301 122.820 -0.039 0.000 1.902 49 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 49 A C 2.022 179.575 177.584 -0.051 0.000 1.181 49 A CA 1.737 53.736 52.037 -0.064 0.000 0.623 49 A CB -0.489 18.478 19.000 -0.055 0.000 0.818 49 A HN 0.416 nan 8.150 nan 0.000 0.443 50 K N -0.517 119.868 120.400 -0.026 0.000 2.063 50 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 50 K C 1.885 178.480 176.600 -0.007 0.000 1.048 50 K CA 1.561 57.839 56.287 -0.014 0.000 0.928 50 K CB -0.391 32.107 32.500 -0.004 0.000 0.713 50 K HN 0.311 nan 8.250 nan 0.000 0.442 51 V N 1.736 121.652 119.914 0.004 0.000 2.295 51 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 51 V C 1.981 178.099 176.094 0.039 0.000 1.049 51 V CA 1.777 64.094 62.300 0.028 0.000 1.024 51 V CB -0.409 31.442 31.823 0.046 0.000 0.648 51 V HN 0.343 nan 8.190 nan 0.000 0.447 52 E N -0.353 119.848 120.200 0.002 0.000 2.110 52 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 52 E C 2.288 178.857 176.600 -0.052 0.000 0.988 52 E CA 1.260 57.632 56.400 -0.046 0.000 0.804 52 E CB -0.129 29.368 29.700 -0.338 0.000 0.745 52 E HN 0.621 nan 8.360 nan 0.000 0.458 53 E N 1.029 121.191 120.200 -0.063 0.000 2.072 53 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 53 E C 2.016 178.622 176.600 0.010 0.000 0.985 53 E CA 0.988 57.371 56.400 -0.029 0.000 0.801 53 E CB 0.126 29.809 29.700 -0.029 0.000 0.750 53 E HN -0.084 nan 8.360 nan 0.000 0.452 54 K N 0.958 121.361 120.400 0.005 0.000 2.057 54 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 54 K C 1.923 178.504 176.600 -0.031 0.000 1.049 54 K CA 1.049 57.333 56.287 -0.005 0.000 0.931 54 K CB -0.294 32.203 32.500 -0.005 0.000 0.714 54 K HN 0.150 nan 8.250 nan 0.000 0.440 55 I N 0.292 120.849 120.570 -0.021 0.000 2.546 55 I HA -0.179 3.991 4.170 -0.000 0.000 0.255 55 I C 2.187 178.128 176.117 -0.294 0.000 1.163 55 I CA 0.732 61.925 61.300 -0.179 0.000 1.457 55 I CB -0.120 37.818 38.000 -0.104 0.000 1.092 55 I HN 0.270 nan 8.210 nan 0.000 0.434 56 Q N 1.439 121.286 119.800 0.078 0.000 2.119 56 Q HA -0.214 4.126 4.340 -0.000 0.000 0.201 56 Q C 1.846 177.904 176.000 0.097 0.000 0.972 56 Q CA 1.703 57.652 55.803 0.243 0.000 0.847 56 Q CB -0.056 28.854 28.738 0.286 0.000 0.903 56 Q HN 0.468 nan 8.270 nan 0.000 0.433 57 E N -0.936 119.285 120.200 0.034 0.000 2.051 57 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 57 E C 1.985 178.566 176.600 -0.032 0.000 0.991 57 E CA 1.467 57.883 56.400 0.027 0.000 0.799 57 E CB -0.057 29.657 29.700 0.025 0.000 0.748 57 E HN 0.190 nan 8.360 nan 0.000 0.449 58 V N 1.091 120.950 119.914 -0.092 0.000 2.287 58 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 58 V C 2.039 178.160 176.094 0.044 0.000 1.053 58 V CA 1.818 64.058 62.300 -0.101 0.000 1.027 58 V CB -0.656 31.069 31.823 -0.164 0.000 0.646 58 V HN 0.282 nan 8.190 nan 0.000 0.447 59 F N 0.557 120.516 119.950 0.015 0.000 2.069 59 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 59 F C 2.625 178.425 175.800 -0.001 0.000 1.113 59 F CA 1.432 59.448 58.000 0.026 0.000 1.214 59 F CB -0.383 38.603 39.000 -0.023 0.000 0.978 59 F HN 0.129 nan 8.300 nan 0.000 0.474 60 S N -0.186 115.555 115.700 0.067 0.000 2.555 60 S HA -0.133 4.337 4.470 -0.000 0.000 0.230 60 S C 2.018 176.367 174.600 -0.417 0.000 0.978 60 S CA 0.825 58.846 58.200 -0.297 0.000 0.934 60 S CB -0.419 62.424 63.200 -0.595 0.000 0.766 60 S HN 0.463 nan 8.310 nan 0.000 0.533 61 S N 1.425 116.988 115.700 -0.229 0.000 2.374 61 S HA -0.235 4.235 4.470 -0.000 0.000 0.227 61 S C 1.593 176.035 174.600 -0.263 0.000 1.037 61 S CA 1.213 59.258 58.200 -0.259 0.000 1.024 61 S CB -0.928 62.060 63.200 -0.353 0.000 0.861 61 S HN 0.600 nan 8.310 nan 0.000 0.456 62 Y N 2.268 122.506 120.300 -0.103 0.000 2.181 62 Y HA -0.004 4.546 4.550 -0.000 0.000 0.288 62 Y C 2.727 178.560 175.900 -0.112 0.000 1.146 62 Y CA 1.409 59.461 58.100 -0.081 0.000 1.164 62 Y CB -0.419 38.004 38.460 -0.062 0.000 0.982 62 Y HN 0.288 nan 8.280 nan 0.000 0.515 63 K N 0.439 120.830 120.400 -0.016 0.000 2.002 63 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 63 K C 1.826 178.353 176.600 -0.122 0.000 1.048 63 K CA 1.745 57.977 56.287 -0.092 0.000 0.930 63 K CB -0.569 31.797 32.500 -0.224 0.000 0.714 63 K HN 0.340 nan 8.250 nan 0.000 0.438 64 F N 0.953 120.793 119.950 -0.182 0.000 2.365 64 F HA -0.095 4.432 4.527 -0.000 0.000 0.300 64 F C 1.786 177.277 175.800 -0.516 0.000 1.090 64 F CA -0.042 57.776 58.000 -0.302 0.000 1.408 64 F CB 0.011 38.931 39.000 -0.133 0.000 1.060 64 F HN 0.166 nan 8.300 nan 0.000 0.534 65 N N -1.254 117.330 118.700 -0.193 0.000 2.392 65 N HA -0.066 4.674 4.740 -0.000 0.000 0.177 65 N C -0.261 175.196 175.510 -0.089 0.000 1.066 65 N CA 0.550 53.522 53.050 -0.131 0.000 0.895 65 N CB -0.263 38.199 38.487 -0.042 0.000 0.988 65 N HN 0.223 nan 8.380 nan 0.000 0.457 66 H N -0.519 118.620 119.070 0.115 0.000 2.904 66 H HA -0.120 4.436 4.556 -0.000 0.000 0.333 66 H C -0.630 174.747 175.328 0.083 0.000 1.271 66 H CA 0.486 56.591 56.048 0.095 0.000 1.183 66 H CB -2.091 27.718 29.762 0.079 0.000 1.519 66 H HN 0.189 nan 8.280 nan 0.000 0.441 67 L N -0.194 121.120 121.223 0.152 0.000 2.409 67 L HA 0.501 4.841 4.340 -0.000 0.000 0.262 67 L C 0.473 177.420 176.870 0.128 0.000 0.992 67 L CA -1.248 53.676 54.840 0.139 0.000 0.817 67 L CB 2.764 44.913 42.059 0.149 0.000 1.350 67 L HN 0.092 nan 8.230 nan 0.000 0.411 68 V N 3.350 123.309 119.914 0.074 0.000 2.455 68 V HA 0.404 4.524 4.120 -0.000 0.000 0.273 68 V C -1.932 174.138 176.094 -0.041 0.000 1.045 68 V CA -1.194 61.109 62.300 0.005 0.000 0.976 68 V CB 0.802 32.617 31.823 -0.013 0.000 0.993 68 V HN 0.620 nan 8.190 nan 0.000 0.475 69 P HA 0.248 nan 4.420 nan 0.000 0.268 69 P C -1.094 176.028 177.300 -0.296 0.000 1.204 69 P CA -0.050 62.703 63.100 -0.580 0.000 0.768 69 P CB 0.299 31.273 31.700 -1.209 0.000 0.842 70 R N 2.874 123.275 120.500 -0.164 0.000 2.483 70 R HA 0.516 4.855 4.340 -0.000 0.000 0.303 70 R C -0.701 175.575 176.300 -0.039 0.000 0.987 70 R CA -0.901 55.151 56.100 -0.080 0.000 0.881 70 R CB 0.802 31.089 30.300 -0.023 0.000 1.177 70 R HN 0.292 nan 8.270 nan 0.000 0.451 71 L N 3.973 125.161 121.223 -0.058 0.000 2.295 71 L HA 0.378 4.718 4.340 -0.000 0.000 0.288 71 L C -0.513 176.357 176.870 -0.000 0.000 1.079 71 L CA -0.972 53.859 54.840 -0.015 0.000 0.830 71 L CB 1.198 43.238 42.059 -0.032 0.000 1.200 71 L HN 0.422 nan 8.230 nan 0.000 0.438 72 V N 4.516 124.441 119.914 0.018 0.000 2.448 72 V HA 0.266 4.385 4.120 -0.000 0.000 0.295 72 V C -0.006 176.101 176.094 0.022 0.000 1.025 72 V CA -0.671 61.636 62.300 0.012 0.000 0.859 72 V CB 2.345 34.171 31.823 0.004 0.000 0.988 72 V HN 0.465 nan 8.190 nan 0.000 0.431 73 L N 5.333 126.573 121.223 0.029 0.000 2.325 73 L HA 0.350 4.690 4.340 -0.000 0.000 0.284 73 L C 0.819 177.693 176.870 0.007 0.000 1.089 73 L CA 0.361 55.242 54.840 0.068 0.000 0.836 73 L CB 0.811 42.921 42.059 0.085 0.000 1.184 73 L HN 0.603 nan 8.230 nan 0.000 0.444 74 Q N 5.256 125.002 119.800 -0.090 0.000 3.034 74 Q HA 0.003 4.343 4.340 -0.000 0.000 0.249 74 Q C 1.144 176.877 176.000 -0.445 0.000 1.282 74 Q CA 0.274 55.896 55.803 -0.302 0.000 0.918 74 Q CB -0.417 28.084 28.738 -0.394 0.000 1.772 74 Q HN 0.715 nan 8.270 nan 0.000 0.498 75 R N 0.424 120.849 120.500 -0.125 0.000 2.115 75 R HA -0.252 4.088 4.340 -0.000 0.000 0.239 75 R C 1.823 178.144 176.300 0.036 0.000 1.133 75 R CA 1.731 57.834 56.100 0.005 0.000 0.935 75 R CB -0.042 30.270 30.300 0.020 0.000 0.853 75 R HN 0.280 nan 8.270 nan 0.000 0.433 76 E N 0.861 121.065 120.200 0.008 0.000 2.085 76 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 76 E C 1.736 178.419 176.600 0.138 0.000 0.994 76 E CA 1.504 57.960 56.400 0.093 0.000 0.801 76 E CB 0.072 29.796 29.700 0.041 0.000 0.743 76 E HN 0.064 nan 8.360 nan 0.000 0.453 77 K N -0.202 120.188 120.400 -0.017 0.000 2.057 77 K HA -0.135 4.184 4.320 -0.000 0.000 0.207 77 K C 2.137 178.804 176.600 0.112 0.000 1.049 77 K CA 1.418 57.697 56.287 -0.014 0.000 0.931 77 K CB -0.621 31.776 32.500 -0.172 0.000 0.714 77 K HN 0.389 nan 8.250 nan 0.000 0.440 78 H N -0.452 118.715 119.070 0.161 0.000 2.389 78 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 78 H C 1.961 177.452 175.328 0.272 0.000 1.081 78 H CA 0.905 57.071 56.048 0.197 0.000 1.345 78 H CB -0.648 29.198 29.762 0.140 0.000 1.393 78 H HN 0.145 nan 8.280 nan 0.000 0.520 79 F N 1.566 121.647 119.950 0.218 0.000 2.102 79 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 79 F C 2.825 178.720 175.800 0.159 0.000 1.105 79 F CA 1.767 59.858 58.000 0.152 0.000 1.239 79 F CB -0.506 38.553 39.000 0.098 0.000 0.991 79 F HN 0.240 nan 8.300 nan 0.000 0.474 80 H N -1.209 117.859 119.070 -0.004 0.000 2.321 80 H HA -0.270 4.285 4.556 -0.000 0.000 0.300 80 H C 2.263 177.576 175.328 -0.025 0.000 1.087 80 H CA 2.264 58.246 56.048 -0.110 0.000 1.319 80 H CB -1.020 28.762 29.762 0.033 0.000 1.379 80 H HN 0.417 nan 8.280 nan 0.000 0.501 81 Y N 1.460 121.717 120.300 -0.070 0.000 2.114 81 Y HA -0.252 4.298 4.550 -0.000 0.000 0.282 81 Y C 2.662 178.597 175.900 0.058 0.000 1.165 81 Y CA 1.878 59.969 58.100 -0.014 0.000 1.148 81 Y CB -0.741 37.770 38.460 0.086 0.000 0.972 81 Y HN 0.154 nan 8.280 nan 0.000 0.504 82 L N 0.078 121.313 121.223 0.020 0.000 2.005 82 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 82 L C 2.646 179.337 176.870 -0.297 0.000 1.072 82 L CA 1.943 56.731 54.840 -0.087 0.000 0.744 82 L CB -0.714 41.356 42.059 0.018 0.000 0.895 82 L HN 0.097 nan 8.230 nan 0.000 0.433 83 K N 0.216 120.351 120.400 -0.442 0.000 2.074 83 K HA -0.270 4.050 4.320 -0.000 0.000 0.209 83 K C 2.376 178.743 176.600 -0.387 0.000 1.048 83 K CA 1.720 57.709 56.287 -0.498 0.000 0.926 83 K CB -0.054 31.953 32.500 -0.821 0.000 0.713 83 K HN 0.116 nan 8.250 nan 0.000 0.444 84 R N -0.517 119.733 120.500 -0.416 0.000 2.062 84 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 84 R C 2.339 178.457 176.300 -0.303 0.000 1.128 84 R CA 1.458 57.359 56.100 -0.332 0.000 0.960 84 R CB -0.498 29.584 30.300 -0.364 0.000 0.855 84 R HN 0.366 nan 8.270 nan 0.000 0.432 85 G N 1.345 109.932 108.800 -0.354 0.000 2.450 85 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 85 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 85 G C 1.253 175.790 174.900 -0.604 0.000 1.130 85 G CA 0.555 45.326 45.100 -0.549 0.000 0.760 85 G HN 0.307 nan 8.290 nan 0.000 0.557 86 L N -0.401 120.527 121.223 -0.492 0.000 2.353 86 L HA 0.194 4.534 4.340 -0.000 0.000 0.220 86 L C 2.418 179.096 176.870 -0.320 0.000 1.133 86 L CA 1.486 56.092 54.840 -0.391 0.000 0.798 86 L CB -0.170 41.714 42.059 -0.292 0.000 0.922 86 L HN 0.124 nan 8.230 nan 0.000 0.445 87 R N -1.321 119.003 120.500 -0.293 0.000 2.194 87 R HA 0.299 4.639 4.340 -0.000 0.000 0.194 87 R C 0.214 176.380 176.300 -0.223 0.000 0.985 87 R CA 0.381 56.341 56.100 -0.234 0.000 1.104 87 R CB 0.311 30.502 30.300 -0.183 0.000 1.092 87 R HN 0.451 nan 8.270 nan 0.000 0.555 88 Q N -0.252 119.419 119.800 -0.216 0.000 2.340 88 Q HA 0.501 4.841 4.340 -0.000 0.000 0.276 88 Q C -1.814 174.097 176.000 -0.149 0.000 1.048 88 Q CA -0.661 55.045 55.803 -0.161 0.000 0.832 88 Q CB 1.719 30.394 28.738 -0.106 0.000 1.373 88 Q HN 0.052 nan 8.270 nan 0.000 0.409 89 L N 1.108 122.271 121.223 -0.101 0.000 2.350 89 L HA 0.621 4.961 4.340 -0.000 0.000 0.260 89 L C 0.212 177.133 176.870 0.085 0.000 1.015 89 L CA -0.811 54.008 54.840 -0.035 0.000 0.821 89 L CB 2.251 44.231 42.059 -0.132 0.000 1.370 89 L HN 0.819 nan 8.230 nan 0.000 0.416 90 T N -3.735 110.936 114.554 0.194 0.000 2.754 90 T HA 0.100 4.450 4.350 -0.000 0.000 0.286 90 T C 0.702 175.521 174.700 0.200 0.000 0.997 90 T CA -0.172 62.034 62.100 0.177 0.000 0.982 90 T CB 0.653 69.627 68.868 0.177 0.000 1.027 90 T HN 0.740 nan 8.240 nan 0.000 0.529 91 D N -0.373 120.104 120.400 0.129 0.000 2.392 91 D HA 0.022 4.662 4.640 -0.000 0.000 0.228 91 D C 1.847 178.202 176.300 0.092 0.000 1.003 91 D CA 0.777 54.840 54.000 0.104 0.000 0.917 91 D CB -0.697 40.142 40.800 0.066 0.000 0.890 91 D HN 0.657 nan 8.370 nan 0.000 0.532 92 A N -0.293 122.588 122.820 0.102 0.000 2.015 92 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 92 A C 1.231 178.729 177.584 -0.144 0.000 1.163 92 A CA 0.551 52.577 52.037 -0.018 0.000 0.646 92 A CB -0.887 18.098 19.000 -0.025 0.000 0.806 92 A HN 0.328 nan 8.150 nan 0.000 0.448 93 Y N 0.420 120.783 120.300 0.103 0.000 2.495 93 Y HA 0.127 4.677 4.550 -0.000 0.000 0.293 93 Y C 1.792 177.749 175.900 0.095 0.000 1.186 93 Y CA 0.156 58.329 58.100 0.123 0.000 1.266 93 Y CB -0.126 38.425 38.460 0.152 0.000 1.101 93 Y HN 0.457 nan 8.280 nan 0.000 0.517 94 E N -0.487 119.787 120.200 0.125 0.000 2.153 94 E HA -0.210 4.139 4.350 -0.000 0.000 0.194 94 E C 2.077 178.725 176.600 0.081 0.000 0.988 94 E CA 1.397 57.855 56.400 0.096 0.000 0.811 94 E CB -0.205 29.533 29.700 0.063 0.000 0.746 94 E HN 0.657 nan 8.360 nan 0.000 0.466 95 C N -0.423 118.910 119.300 0.056 0.000 2.449 95 C HA 0.068 4.528 4.460 -0.000 0.000 0.283 95 C C 1.743 176.784 174.990 0.085 0.000 1.453 95 C CA -0.073 58.972 59.018 0.045 0.000 1.779 95 C CB -0.965 26.779 27.740 0.006 0.000 1.779 95 C HN 0.225 nan 8.230 nan 0.000 0.546 96 L N 0.708 122.021 121.223 0.150 0.000 3.066 96 L HA 0.232 4.572 4.340 -0.000 0.000 0.265 96 L C 1.582 178.559 176.870 0.180 0.000 1.232 96 L CA 0.159 55.122 54.840 0.206 0.000 1.031 96 L CB -0.262 42.020 42.059 0.371 0.000 1.379 96 L HN 0.151 nan 8.230 nan 0.000 0.563 97 D N 1.374 121.854 120.400 0.133 0.000 2.263 97 D HA -0.124 4.516 4.640 -0.000 0.000 0.208 97 D C 1.676 178.033 176.300 0.095 0.000 0.971 97 D CA 1.036 55.102 54.000 0.111 0.000 0.867 97 D CB 0.481 41.331 40.800 0.083 0.000 0.929 97 D HN 0.284 nan 8.370 nan 0.000 0.492 98 A N -0.914 121.954 122.820 0.081 0.000 2.507 98 A HA 0.406 4.726 4.320 -0.000 0.000 0.270 98 A C 0.732 178.362 177.584 0.076 0.000 1.318 98 A CA -0.255 51.814 52.037 0.053 0.000 0.924 98 A CB 0.389 19.397 19.000 0.013 0.000 1.061 98 A HN 0.034 nan 8.150 nan 0.000 0.516 99 S N -0.811 114.969 115.700 0.133 0.000 2.941 99 S HA 0.169 4.639 4.470 -0.000 0.000 0.248 99 S C 1.086 175.800 174.600 0.190 0.000 0.962 99 S CA -0.500 57.827 58.200 0.211 0.000 1.092 99 S CB 0.065 63.380 63.200 0.193 0.000 1.113 99 S HN 0.601 nan 8.310 nan 0.000 0.512 100 R N 1.800 122.401 120.500 0.169 0.000 2.096 100 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 100 R C -1.145 175.243 176.300 0.147 0.000 1.127 100 R CA 1.293 57.504 56.100 0.186 0.000 0.968 100 R CB -1.196 29.297 30.300 0.322 0.000 0.861 100 R HN 0.290 nan 8.270 nan 0.000 0.440 101 P HA -0.144 nan 4.420 nan 0.000 0.220 101 P C 0.327 177.492 177.300 -0.226 0.000 1.148 101 P CA 1.008 64.041 63.100 -0.112 0.000 0.803 101 P CB -0.035 31.503 31.700 -0.270 0.000 0.782 102 W N -0.721 120.395 121.300 -0.305 0.000 2.381 102 W HA -0.040 4.620 4.660 -0.000 0.000 0.301 102 W C 2.084 178.127 176.519 -0.793 0.000 1.205 102 W CA 0.523 57.439 57.345 -0.715 0.000 1.285 102 W CB -0.898 27.925 29.460 -1.062 0.000 1.133 102 W HN -0.141 nan 8.180 nan 0.000 0.521 103 L N -1.005 120.123 121.223 -0.159 0.000 2.083 103 L HA -0.275 4.065 4.340 -0.000 0.000 0.209 103 L C 2.347 179.156 176.870 -0.101 0.000 1.083 103 L CA 1.054 55.880 54.840 -0.023 0.000 0.752 103 L CB -1.010 41.022 42.059 -0.046 0.000 0.899 103 L HN 0.069 nan 8.230 nan 0.000 0.433 104 C N -1.288 117.954 119.300 -0.097 0.000 2.432 104 C HA -0.227 4.233 4.460 -0.000 0.000 0.277 104 C C 2.747 177.693 174.990 -0.073 0.000 1.249 104 C CA 0.661 59.623 59.018 -0.093 0.000 1.725 104 C CB -0.813 26.906 27.740 -0.035 0.000 2.028 104 C HN 0.565 nan 8.230 nan 0.000 0.477 105 Y N 0.648 120.826 120.300 -0.205 0.000 2.114 105 Y HA -0.191 4.359 4.550 -0.000 0.000 0.284 105 Y C 2.337 178.259 175.900 0.038 0.000 1.143 105 Y CA 1.499 59.493 58.100 -0.176 0.000 1.135 105 Y CB -0.752 37.495 38.460 -0.354 0.000 0.980 105 Y HN 0.371 nan 8.280 nan 0.000 0.499 106 W N 0.709 121.862 121.300 -0.247 0.000 2.321 106 W HA -0.241 4.419 4.660 -0.000 0.000 0.306 106 W C 2.475 178.835 176.519 -0.265 0.000 1.217 106 W CA 1.581 58.733 57.345 -0.322 0.000 1.257 106 W CB -1.236 28.256 29.460 0.054 0.000 1.145 106 W HN 0.220 nan 8.180 nan 0.000 0.509 107 I N -0.403 120.176 120.570 0.015 0.000 2.193 107 I HA -0.297 3.873 4.170 -0.000 0.000 0.240 107 I C 2.437 178.496 176.117 -0.096 0.000 1.084 107 I CA 1.087 62.332 61.300 -0.092 0.000 1.365 107 I CB -0.913 36.911 38.000 -0.292 0.000 1.064 107 I HN -0.178 nan 8.210 nan 0.000 0.410 108 L N 0.011 121.172 121.223 -0.103 0.000 2.079 108 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 108 L C 2.757 179.598 176.870 -0.048 0.000 1.081 108 L CA 1.509 56.309 54.840 -0.067 0.000 0.752 108 L CB -0.851 41.179 42.059 -0.049 0.000 0.896 108 L HN 0.344 nan 8.230 nan 0.000 0.433 109 H N -0.439 118.493 119.070 -0.229 0.000 2.357 109 H HA -0.102 4.454 4.556 -0.000 0.000 0.301 109 H C 2.397 177.626 175.328 -0.165 0.000 1.082 109 H CA 1.655 57.559 56.048 -0.239 0.000 1.342 109 H CB 0.064 29.515 29.762 -0.519 0.000 1.389 109 H HN 0.115 nan 8.280 nan 0.000 0.511 110 S N -0.005 115.546 115.700 -0.249 0.000 2.368 110 S HA -0.114 4.356 4.470 -0.000 0.000 0.225 110 S C 2.327 176.856 174.600 -0.118 0.000 1.030 110 S CA 1.288 59.358 58.200 -0.216 0.000 0.999 110 S CB -0.307 62.845 63.200 -0.080 0.000 0.844 110 S HN 0.360 nan 8.310 nan 0.000 0.459 111 L N 1.307 122.502 121.223 -0.047 0.000 2.017 111 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 111 L C 2.750 179.614 176.870 -0.009 0.000 1.073 111 L CA 1.647 56.505 54.840 0.030 0.000 0.745 111 L CB -0.626 41.465 42.059 0.054 0.000 0.894 111 L HN 0.438 nan 8.230 nan 0.000 0.432 112 E N 0.848 121.017 120.200 -0.052 0.000 2.085 112 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 112 E C 2.326 178.884 176.600 -0.069 0.000 0.994 112 E CA 1.288 57.664 56.400 -0.041 0.000 0.801 112 E CB -0.118 29.578 29.700 -0.007 0.000 0.743 112 E HN 0.482 nan 8.360 nan 0.000 0.453 113 L N 0.470 121.592 121.223 -0.167 0.000 2.046 113 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 113 L C 2.454 179.297 176.870 -0.045 0.000 1.077 113 L CA 0.838 55.595 54.840 -0.139 0.000 0.747 113 L CB -0.212 41.694 42.059 -0.256 0.000 0.896 113 L HN 0.263 nan 8.230 nan 0.000 0.432 114 L N -0.686 120.520 121.223 -0.029 0.000 2.610 114 L HA -0.040 4.300 4.340 -0.000 0.000 0.232 114 L C 0.366 177.233 176.870 -0.005 0.000 1.149 114 L CA 0.027 54.874 54.840 0.012 0.000 0.872 114 L CB -0.372 41.725 42.059 0.063 0.000 0.992 114 L HN 0.268 nan 8.230 nan 0.000 0.447 115 D N 1.056 121.449 120.400 -0.012 0.000 2.746 115 D HA -0.165 4.475 4.640 -0.000 0.000 0.236 115 D C -0.088 176.189 176.300 -0.039 0.000 1.129 115 D CA 0.605 54.593 54.000 -0.019 0.000 0.691 115 D CB -0.355 40.434 40.800 -0.018 0.000 1.077 115 D HN 0.277 nan 8.370 nan 0.000 0.432 116 E N 0.955 121.143 120.200 -0.020 0.000 2.156 116 E HA 0.400 4.750 4.350 -0.000 0.000 0.279 116 E C -1.878 174.731 176.600 0.015 0.000 0.965 116 E CA -1.552 54.831 56.400 -0.028 0.000 0.789 116 E CB 1.233 30.975 29.700 0.071 0.000 1.098 116 E HN 0.273 nan 8.360 nan 0.000 0.397 117 P HA 0.228 nan 4.420 nan 0.000 0.274 117 P C -0.289 177.031 177.300 0.032 0.000 1.231 117 P CA -0.385 62.720 63.100 0.008 0.000 0.790 117 P CB 0.954 32.650 31.700 -0.007 0.000 0.951 118 I N 3.520 124.096 120.570 0.009 0.000 2.306 118 I HA 0.222 4.391 4.170 -0.000 0.000 0.288 118 I C -1.745 174.367 176.117 -0.009 0.000 1.036 118 I CA -2.835 58.466 61.300 0.001 0.000 1.221 118 I CB 0.151 38.139 38.000 -0.020 0.000 1.385 118 I HN 0.224 nan 8.210 nan 0.000 0.472 119 P HA 0.051 nan 4.420 nan 0.000 0.266 119 P C 0.503 177.789 177.300 -0.023 0.000 1.195 119 P CA -0.266 62.830 63.100 -0.008 0.000 0.768 119 P CB 1.116 32.817 31.700 0.001 0.000 0.838 120 Q N 1.601 121.385 119.800 -0.026 0.000 2.308 120 Q HA -0.123 4.217 4.340 -0.000 0.000 0.209 120 Q C 1.922 177.902 176.000 -0.033 0.000 0.985 120 Q CA 1.233 57.015 55.803 -0.034 0.000 0.881 120 Q CB -0.351 28.367 28.738 -0.034 0.000 0.917 120 Q HN 0.606 nan 8.270 nan 0.000 0.443 121 I N -0.629 119.924 120.570 -0.027 0.000 2.142 121 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 121 I C 2.116 178.211 176.117 -0.036 0.000 1.078 121 I CA 0.824 62.107 61.300 -0.028 0.000 1.343 121 I CB -0.125 37.860 38.000 -0.025 0.000 1.046 121 I HN 0.006 nan 8.210 nan 0.000 0.405 122 V N 0.951 120.841 119.914 -0.040 0.000 2.261 122 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 122 V C 2.680 178.744 176.094 -0.050 0.000 1.047 122 V CA 2.019 64.288 62.300 -0.052 0.000 1.015 122 V CB -1.082 30.708 31.823 -0.055 0.000 0.642 122 V HN 0.515 nan 8.190 nan 0.000 0.446 123 A N -0.752 122.038 122.820 -0.049 0.000 1.873 123 A HA -0.333 3.987 4.320 -0.000 0.000 0.218 123 A C 2.466 180.020 177.584 -0.049 0.000 1.193 123 A CA 2.943 54.946 52.037 -0.057 0.000 0.629 123 A CB -1.224 17.736 19.000 -0.067 0.000 0.826 123 A HN 0.477 nan 8.150 nan 0.000 0.447 124 T N -0.893 113.636 114.554 -0.043 0.000 2.788 124 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 124 T C 1.555 176.247 174.700 -0.013 0.000 1.044 124 T CA 1.821 63.902 62.100 -0.031 0.000 1.139 124 T CB -0.550 68.301 68.868 -0.029 0.000 0.867 124 T HN 0.483 nan 8.240 nan 0.000 0.454 125 D N 0.414 120.805 120.400 -0.015 0.000 2.144 125 D HA -0.032 4.608 4.640 -0.000 0.000 0.200 125 D C 2.238 178.560 176.300 0.037 0.000 0.978 125 D CA 0.691 54.692 54.000 0.000 0.000 0.833 125 D CB -0.448 40.335 40.800 -0.029 0.000 0.961 125 D HN 0.287 nan 8.370 nan 0.000 0.470 126 V N 0.776 120.698 119.914 0.014 0.000 2.295 126 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 126 V C 2.714 178.853 176.094 0.075 0.000 1.049 126 V CA 1.272 63.604 62.300 0.053 0.000 1.024 126 V CB -0.497 31.321 31.823 -0.008 0.000 0.648 126 V HN 0.285 nan 8.190 nan 0.000 0.447 127 C N -0.480 118.830 119.300 0.018 0.000 2.413 127 C HA -0.241 4.219 4.460 -0.000 0.000 0.277 127 C C 2.864 177.874 174.990 0.034 0.000 1.228 127 C CA 1.361 60.383 59.018 0.006 0.000 1.731 127 C CB -1.158 26.571 27.740 -0.018 0.000 2.042 127 C HN 0.607 nan 8.230 nan 0.000 0.468 128 Q N -0.707 119.121 119.800 0.047 0.000 2.124 128 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 128 Q C 1.993 178.044 176.000 0.085 0.000 0.977 128 Q CA 1.726 57.561 55.803 0.053 0.000 0.850 128 Q CB -0.352 28.415 28.738 0.049 0.000 0.901 128 Q HN 0.776 nan 8.270 nan 0.000 0.429 129 F N 1.001 120.939 119.950 -0.021 0.000 2.113 129 F HA -0.142 4.385 4.527 -0.000 0.000 0.297 129 F C 1.649 177.452 175.800 0.004 0.000 1.103 129 F CA 1.208 59.196 58.000 -0.020 0.000 1.248 129 F CB -0.242 38.732 39.000 -0.044 0.000 0.999 129 F HN -0.041 nan 8.300 nan 0.000 0.475 130 L N 0.595 121.708 121.223 -0.184 0.000 2.127 130 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 130 L C 2.473 179.331 176.870 -0.021 0.000 1.089 130 L CA 1.891 56.597 54.840 -0.223 0.000 0.757 130 L CB -0.949 41.029 42.059 -0.134 0.000 0.899 130 L HN 0.373 nan 8.230 nan 0.000 0.434 131 E N 0.151 120.346 120.200 -0.008 0.000 2.285 131 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 131 E C 2.146 178.696 176.600 -0.084 0.000 0.997 131 E CA 0.655 57.057 56.400 0.003 0.000 0.845 131 E CB -0.211 29.495 29.700 0.010 0.000 0.782 131 E HN 0.512 nan 8.360 nan 0.000 0.491 132 L N 0.501 121.642 121.223 -0.136 0.000 2.291 132 L HA -0.057 4.282 4.340 -0.000 0.000 0.214 132 L C 2.034 178.787 176.870 -0.195 0.000 1.120 132 L CA 0.461 55.216 54.840 -0.141 0.000 0.799 132 L CB -0.163 41.833 42.059 -0.106 0.000 0.925 132 L HN 0.360 nan 8.230 nan 0.000 0.446 133 C N -1.041 118.097 119.300 -0.270 0.000 2.563 133 C HA -0.013 4.447 4.460 -0.000 0.000 0.268 133 C C 1.502 176.413 174.990 -0.130 0.000 1.365 133 C CA -0.458 58.436 59.018 -0.207 0.000 1.754 133 C CB -0.722 26.862 27.740 -0.260 0.000 1.932 133 C HN 0.406 nan 8.230 nan 0.000 0.536 134 Q N 1.605 121.279 119.800 -0.211 0.000 2.332 134 Q HA 0.175 4.515 4.340 -0.000 0.000 0.263 134 Q C 0.266 176.042 176.000 -0.373 0.000 0.979 134 Q CA 0.192 55.650 55.803 -0.574 0.000 0.885 134 Q CB 0.633 28.931 28.738 -0.734 0.000 1.218 134 Q HN 0.450 nan 8.270 nan 0.000 0.405 135 S N 3.503 118.963 115.700 -0.401 0.000 2.601 135 S HA 0.260 4.730 4.470 -0.000 0.000 0.271 135 S C -1.824 172.653 174.600 -0.205 0.000 1.305 135 S CA -1.443 56.609 58.200 -0.247 0.000 1.022 135 S CB 0.757 63.809 63.200 -0.247 0.000 0.940 135 S HN 0.605 nan 8.310 nan 0.000 0.525 136 P HA 0.015 nan 4.420 nan 0.000 0.222 136 P C -0.057 177.198 177.300 -0.076 0.000 1.147 136 P CA 0.976 64.026 63.100 -0.084 0.000 0.790 136 P CB 0.104 31.779 31.700 -0.043 0.000 0.780 137 D N -0.875 119.478 120.400 -0.079 0.000 2.463 137 D HA 0.309 4.949 4.640 -0.000 0.000 0.224 137 D C 0.759 177.024 176.300 -0.058 0.000 1.174 137 D CA 0.263 54.239 54.000 -0.041 0.000 0.829 137 D CB 0.449 41.255 40.800 0.009 0.000 0.993 137 D HN 0.068 nan 8.370 nan 0.000 0.497 138 G N 0.144 108.840 108.800 -0.173 0.000 2.697 138 G HA2 0.367 4.327 3.960 -0.000 0.000 0.686 138 G HA3 0.367 4.327 3.960 -0.000 0.000 0.686 138 G C 0.211 174.785 174.900 -0.542 0.000 1.179 138 G CA -0.435 44.534 45.100 -0.218 0.000 0.765 138 G HN 0.628 nan 8.290 nan 0.000 0.649 139 G N -0.683 107.817 108.800 -0.500 0.000 2.781 139 G HA2 0.356 4.316 3.960 -0.000 0.000 0.683 139 G HA3 0.356 4.316 3.960 -0.000 0.000 0.683 139 G C -0.480 174.057 174.900 -0.606 0.000 1.390 139 G CA 0.099 44.871 45.100 -0.546 0.000 0.850 139 G HN 1.749 nan 8.290 nan 0.000 0.557 140 F N 0.369 120.180 119.950 -0.231 0.000 2.522 140 F HA 0.725 5.252 4.527 -0.000 0.000 0.324 140 F C 1.125 176.851 175.800 -0.122 0.000 1.077 140 F CA 0.270 58.162 58.000 -0.180 0.000 0.944 140 F CB 2.154 41.049 39.000 -0.176 0.000 1.175 140 F HN 0.812 nan 8.300 nan 0.000 0.468 141 G N -0.106 108.727 108.800 0.055 0.000 2.552 141 G HA2 0.443 4.403 3.960 -0.000 0.000 0.318 141 G HA3 0.443 4.403 3.960 -0.000 0.000 0.318 141 G C 0.767 175.689 174.900 0.036 0.000 1.240 141 G CA -0.442 44.685 45.100 0.046 0.000 1.002 141 G HN 0.895 nan 8.290 nan 0.000 0.493 142 G N -1.771 107.047 108.800 0.030 0.000 2.848 142 G HA2 0.459 4.419 3.960 -0.000 0.000 0.208 142 G HA3 0.459 4.419 3.960 -0.000 0.000 0.208 142 G C 0.649 175.584 174.900 0.057 0.000 1.152 142 G CA 0.923 46.049 45.100 0.044 0.000 0.789 142 G HN 1.247 nan 8.290 nan 0.000 0.531 143 G N -1.286 107.523 108.800 0.015 0.000 2.451 143 G HA2 0.481 4.441 3.960 -0.000 0.000 0.292 143 G HA3 0.481 4.441 3.960 -0.000 0.000 0.292 143 G C -3.482 171.393 174.900 -0.042 0.000 1.427 143 G CA -0.954 44.167 45.100 0.036 0.000 0.792 143 G HN -0.098 nan 8.290 nan 0.000 0.498 144 P HA 0.369 nan 4.420 nan 0.000 0.267 144 P C 0.995 178.264 177.300 -0.052 0.000 1.205 144 P CA 1.813 64.878 63.100 -0.058 0.000 0.765 144 P CB 1.171 32.868 31.700 -0.004 0.000 0.828 145 G N 1.715 110.466 108.800 -0.080 0.000 2.195 145 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.246 145 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.246 145 G C 0.087 174.883 174.900 -0.173 0.000 0.984 145 G CA -0.304 44.733 45.100 -0.105 0.000 0.633 145 G HN 0.564 nan 8.290 nan 0.000 0.525 146 Q N -0.411 119.305 119.800 -0.139 0.000 2.260 146 Q HA 0.562 4.902 4.340 -0.000 0.000 0.242 146 Q C -0.125 175.808 176.000 -0.112 0.000 0.932 146 Q CA -0.704 54.999 55.803 -0.168 0.000 0.891 146 Q CB 0.944 29.640 28.738 -0.070 0.000 1.222 146 Q HN 0.473 nan 8.270 nan 0.000 0.453 147 Y N 1.924 122.229 120.300 0.009 0.000 2.457 147 Y HA 0.063 4.613 4.550 -0.000 0.000 0.341 147 Y C -1.553 174.356 175.900 0.014 0.000 1.240 147 Y CA -1.785 56.326 58.100 0.018 0.000 1.437 147 Y CB 0.121 38.626 38.460 0.076 0.000 1.328 147 Y HN 0.443 nan 8.280 nan 0.000 0.588 148 P HA -0.025 nan 4.420 nan 0.000 0.270 148 P C -0.989 176.454 177.300 0.238 0.000 1.223 148 P CA 0.531 63.609 63.100 -0.036 0.000 0.785 148 P CB 1.058 32.416 31.700 -0.571 0.000 0.923 149 H N 1.246 120.412 119.070 0.160 0.000 3.038 149 H HA 0.187 4.743 4.556 -0.000 0.000 0.362 149 H C 0.669 176.188 175.328 0.318 0.000 1.167 149 H CA -0.565 55.659 56.048 0.294 0.000 1.197 149 H CB 1.490 31.347 29.762 0.158 0.000 1.840 149 H HN 0.200 nan 8.280 nan 0.000 0.540 150 L N 2.478 123.936 121.223 0.391 0.000 2.191 150 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 150 L C 2.443 179.560 176.870 0.411 0.000 1.103 150 L CA 1.447 56.498 54.840 0.351 0.000 0.769 150 L CB -0.401 41.761 42.059 0.172 0.000 0.908 150 L HN 0.656 nan 8.230 nan 0.000 0.438 151 A N 0.950 124.170 122.820 0.667 0.000 1.841 151 A HA -0.080 4.240 4.320 -0.000 0.000 0.214 151 A C -0.156 177.631 177.584 0.338 0.000 1.195 151 A CA 1.412 53.841 52.037 0.654 0.000 0.611 151 A CB -1.781 17.690 19.000 0.786 0.000 0.835 151 A HN 0.273 nan 8.150 nan 0.000 0.443 152 P HA -0.064 nan 4.420 nan 0.000 0.226 152 P C 1.155 178.354 177.300 -0.168 0.000 1.153 152 P CA 1.423 64.457 63.100 -0.110 0.000 0.777 152 P CB -0.251 31.474 31.700 0.043 0.000 0.794 153 T N -0.765 113.821 114.554 0.055 0.000 2.777 153 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 153 T C 1.690 176.312 174.700 -0.131 0.000 1.040 153 T CA 1.093 63.250 62.100 0.095 0.000 1.141 153 T CB -1.012 68.012 68.868 0.260 0.000 0.868 153 T HN 0.093 nan 8.240 nan 0.000 0.444 154 Y N 2.235 122.391 120.300 -0.240 0.000 2.145 154 Y HA -0.036 4.514 4.550 -0.000 0.000 0.286 154 Y C 2.477 177.993 175.900 -0.640 0.000 1.145 154 Y CA 1.059 58.944 58.100 -0.358 0.000 1.148 154 Y CB -0.753 37.554 38.460 -0.254 0.000 0.981 154 Y HN 0.158 nan 8.280 nan 0.000 0.507 155 A N 1.028 123.246 122.820 -1.003 0.000 1.877 155 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 155 A C 2.472 179.528 177.584 -0.879 0.000 1.186 155 A CA 2.249 53.504 52.037 -1.304 0.000 0.620 155 A CB -1.658 16.384 19.000 -1.597 0.000 0.822 155 A HN 0.684 nan 8.150 nan 0.000 0.443 156 A N -0.593 121.754 122.820 -0.789 0.000 1.883 156 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 156 A C 2.261 179.395 177.584 -0.750 0.000 1.186 156 A CA 1.994 53.517 52.037 -0.857 0.000 0.624 156 A CB -1.096 16.997 19.000 -1.513 0.000 0.822 156 A HN 0.441 nan 8.150 nan 0.000 0.444 157 V N 0.746 120.244 119.914 -0.693 0.000 2.295 157 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 157 V C 2.396 178.256 176.094 -0.390 0.000 1.049 157 V CA 2.278 64.314 62.300 -0.440 0.000 1.024 157 V CB -1.084 30.545 31.823 -0.323 0.000 0.648 157 V HN 0.555 nan 8.190 nan 0.000 0.447 158 N N 0.389 118.745 118.700 -0.573 0.000 2.069 158 N HA -0.143 4.597 4.740 -0.000 0.000 0.191 158 N C 1.866 177.239 175.510 -0.229 0.000 1.031 158 N CA 1.772 54.526 53.050 -0.493 0.000 0.852 158 N CB -0.614 37.297 38.487 -0.959 0.000 1.018 158 N HN 0.481 nan 8.380 nan 0.000 0.423 159 A N 0.843 123.522 122.820 -0.236 0.000 1.883 159 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 159 A C 2.340 179.854 177.584 -0.117 0.000 1.186 159 A CA 1.093 53.070 52.037 -0.100 0.000 0.624 159 A CB -0.825 18.091 19.000 -0.140 0.000 0.822 159 A HN 0.280 nan 8.150 nan 0.000 0.444 160 L N -0.991 120.132 121.223 -0.166 0.000 2.131 160 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 160 L C 2.582 179.406 176.870 -0.076 0.000 1.092 160 L CA 0.990 55.760 54.840 -0.118 0.000 0.759 160 L CB -0.612 41.395 42.059 -0.087 0.000 0.903 160 L HN 0.487 nan 8.230 nan 0.000 0.435 161 C N -0.286 119.003 119.300 -0.018 0.000 2.450 161 C HA -0.049 4.411 4.460 -0.000 0.000 0.279 161 C C 2.701 177.699 174.990 0.013 0.000 1.335 161 C CA 0.177 59.241 59.018 0.076 0.000 1.749 161 C CB -0.495 27.271 27.740 0.044 0.000 1.963 161 C HN 0.428 nan 8.230 nan 0.000 0.501 162 I N 0.675 121.239 120.570 -0.011 0.000 2.315 162 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 162 I C 2.232 178.327 176.117 -0.037 0.000 1.117 162 I CA 1.651 62.957 61.300 0.010 0.000 1.404 162 I CB -0.295 37.731 38.000 0.043 0.000 1.071 162 I HN 0.308 nan 8.210 nan 0.000 0.419 163 I N 0.504 121.023 120.570 -0.085 0.000 2.202 163 I HA -0.141 4.029 4.170 -0.000 0.000 0.242 163 I C 1.806 177.802 176.117 -0.201 0.000 1.091 163 I CA 1.228 62.451 61.300 -0.128 0.000 1.368 163 I CB -0.765 37.149 38.000 -0.143 0.000 1.058 163 I HN 0.422 nan 8.210 nan 0.000 0.410 164 G N 1.929 110.535 108.800 -0.322 0.000 2.225 164 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.267 164 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.267 164 G C 0.393 174.842 174.900 -0.752 0.000 1.024 164 G CA 0.585 45.353 45.100 -0.552 0.000 0.784 164 G HN 0.527 nan 8.290 nan 0.000 0.507 165 T N -3.636 110.506 114.554 -0.686 0.000 2.912 165 T HA 0.651 5.001 4.350 -0.000 0.000 0.280 165 T C 1.124 175.453 174.700 -0.618 0.000 0.989 165 T CA 0.378 62.187 62.100 -0.486 0.000 0.995 165 T CB 1.942 70.648 68.868 -0.269 0.000 1.077 165 T HN 0.118 nan 8.240 nan 0.000 0.531 166 E N 0.163 120.175 120.200 -0.314 0.000 2.118 166 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 166 E C 1.962 178.477 176.600 -0.140 0.000 0.992 166 E CA 1.826 58.117 56.400 -0.181 0.000 0.804 166 E CB -0.268 29.393 29.700 -0.066 0.000 0.741 166 E HN 0.847 nan 8.360 nan 0.000 0.458 167 E N -0.385 119.730 120.200 -0.142 0.000 2.038 167 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 167 E C 1.990 178.535 176.600 -0.092 0.000 1.000 167 E CA 1.215 57.563 56.400 -0.086 0.000 0.803 167 E CB -0.307 29.345 29.700 -0.081 0.000 0.750 167 E HN 0.327 nan 8.360 nan 0.000 0.448 168 A N 0.553 123.253 122.820 -0.201 0.000 1.873 168 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 168 A C 2.071 179.629 177.584 -0.043 0.000 1.193 168 A CA 1.868 53.792 52.037 -0.188 0.000 0.629 168 A CB -1.344 17.447 19.000 -0.348 0.000 0.826 168 A HN 0.541 nan 8.150 nan 0.000 0.447 169 Y N -0.038 120.234 120.300 -0.046 0.000 2.128 169 Y HA -0.245 4.305 4.550 -0.000 0.000 0.284 169 Y C 2.556 178.562 175.900 0.177 0.000 1.154 169 Y CA 0.896 59.032 58.100 0.060 0.000 1.149 169 Y CB -0.347 37.868 38.460 -0.410 0.000 0.976 169 Y HN 0.306 nan 8.280 nan 0.000 0.505 170 N N 0.040 118.877 118.700 0.227 0.000 2.272 170 N HA -0.147 4.592 4.740 -0.000 0.000 0.185 170 N C 1.785 177.389 175.510 0.158 0.000 1.014 170 N CA 0.954 54.115 53.050 0.186 0.000 0.870 170 N CB -0.577 37.973 38.487 0.105 0.000 0.975 170 N HN 0.160 nan 8.380 nan 0.000 0.433 171 V N 1.555 121.555 119.914 0.143 0.000 2.332 171 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 171 V C 1.137 177.332 176.094 0.167 0.000 1.055 171 V CA 0.810 63.189 62.300 0.132 0.000 1.038 171 V CB -0.339 31.563 31.823 0.132 0.000 0.651 171 V HN 0.229 nan 8.190 nan 0.000 0.450 172 I N 2.166 122.877 120.570 0.235 0.000 2.581 172 I HA 0.007 4.177 4.170 -0.000 0.000 0.285 172 I C 0.541 176.724 176.117 0.110 0.000 1.129 172 I CA 0.236 61.664 61.300 0.215 0.000 1.397 172 I CB -0.166 37.960 38.000 0.210 0.000 1.399 172 I HN 0.176 nan 8.210 nan 0.000 0.537 173 N N 7.108 125.814 118.700 0.010 0.000 2.482 173 N HA 0.132 4.872 4.740 -0.000 0.000 0.242 173 N C 0.957 176.464 175.510 -0.005 0.000 1.100 173 N CA -0.091 52.955 53.050 -0.007 0.000 0.946 173 N CB 0.486 38.934 38.487 -0.065 0.000 1.227 173 N HN 0.433 nan 8.380 nan 0.000 0.508 174 R N 1.957 122.473 120.500 0.025 0.000 2.096 174 R HA -0.126 4.213 4.340 -0.000 0.000 0.235 174 R C 0.938 177.250 176.300 0.021 0.000 1.127 174 R CA 1.478 57.582 56.100 0.007 0.000 0.968 174 R CB 0.166 30.474 30.300 0.013 0.000 0.861 174 R HN 0.486 nan 8.270 nan 0.000 0.440 175 E N 0.600 120.822 120.200 0.036 0.000 2.047 175 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 175 E C 1.838 178.466 176.600 0.046 0.000 0.987 175 E CA 1.018 57.447 56.400 0.048 0.000 0.799 175 E CB 0.054 29.783 29.700 0.047 0.000 0.752 175 E HN 0.034 nan 8.360 nan 0.000 0.449 176 K N 0.318 120.732 120.400 0.023 0.000 2.097 176 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 176 K C 2.107 178.737 176.600 0.049 0.000 1.049 176 K CA 0.528 56.828 56.287 0.020 0.000 0.933 176 K CB -0.511 31.971 32.500 -0.031 0.000 0.717 176 K HN 0.129 nan 8.250 nan 0.000 0.442 177 L N 1.351 122.588 121.223 0.024 0.000 2.042 177 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 177 L C 2.142 179.070 176.870 0.097 0.000 1.076 177 L CA 1.425 56.302 54.840 0.061 0.000 0.749 177 L CB -0.781 41.291 42.059 0.023 0.000 0.893 177 L HN 0.077 nan 8.230 nan 0.000 0.432 178 L N -0.583 120.673 121.223 0.056 0.000 2.056 178 L HA -0.208 4.132 4.340 -0.000 0.000 0.207 178 L C 2.498 179.440 176.870 0.119 0.000 1.078 178 L CA 1.744 56.605 54.840 0.035 0.000 0.749 178 L CB -0.794 41.297 42.059 0.053 0.000 0.901 178 L HN 0.442 nan 8.230 nan 0.000 0.433 179 Q N -1.865 118.029 119.800 0.158 0.000 2.061 179 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 179 Q C 2.176 178.283 176.000 0.178 0.000 0.984 179 Q CA 2.191 58.104 55.803 0.182 0.000 0.846 179 Q CB -0.486 28.322 28.738 0.117 0.000 0.902 179 Q HN 0.594 nan 8.270 nan 0.000 0.421 180 Y N 1.383 121.707 120.300 0.039 0.000 2.097 180 Y HA -0.267 4.283 4.550 -0.000 0.000 0.282 180 Y C 1.840 177.767 175.900 0.046 0.000 1.152 180 Y CA 1.526 59.643 58.100 0.028 0.000 1.136 180 Y CB -0.411 38.051 38.460 0.002 0.000 0.975 180 Y HN 0.039 nan 8.280 nan 0.000 0.498 181 L N -1.442 119.732 121.223 -0.082 0.000 2.042 181 L HA -0.316 4.023 4.340 -0.000 0.000 0.210 181 L C 2.325 179.154 176.870 -0.068 0.000 1.076 181 L CA 1.932 56.684 54.840 -0.147 0.000 0.749 181 L CB -1.067 40.888 42.059 -0.173 0.000 0.893 181 L HN 0.285 nan 8.230 nan 0.000 0.432 182 Y N 0.429 120.691 120.300 -0.062 0.000 2.224 182 Y HA -0.263 4.287 4.550 -0.000 0.000 0.289 182 Y C 3.090 178.906 175.900 -0.141 0.000 1.146 182 Y CA 1.356 59.396 58.100 -0.099 0.000 1.182 182 Y CB -0.116 38.293 38.460 -0.086 0.000 0.983 182 Y HN 0.314 nan 8.280 nan 0.000 0.524 183 S N -0.271 115.437 115.700 0.014 0.000 2.474 183 S HA -0.126 4.344 4.470 -0.000 0.000 0.235 183 S C 1.509 176.024 174.600 -0.143 0.000 0.997 183 S CA 1.028 59.189 58.200 -0.065 0.000 0.949 183 S CB -0.622 62.544 63.200 -0.055 0.000 0.766 183 S HN 0.495 nan 8.310 nan 0.000 0.517 184 L N -0.299 120.813 121.223 -0.184 0.000 2.513 184 L HA 0.339 4.679 4.340 -0.000 0.000 0.222 184 L C 0.977 177.727 176.870 -0.201 0.000 1.096 184 L CA -0.189 54.550 54.840 -0.169 0.000 0.857 184 L CB -0.202 41.757 42.059 -0.167 0.000 1.026 184 L HN 0.118 nan 8.230 nan 0.000 0.469 185 K N 1.601 121.803 120.400 -0.330 0.000 2.451 185 K HA 0.026 4.346 4.320 -0.000 0.000 0.280 185 K C -0.188 176.119 176.600 -0.487 0.000 1.020 185 K CA 0.465 56.290 56.287 -0.771 0.000 1.008 185 K CB 0.448 32.549 32.500 -0.664 0.000 0.917 185 K HN -0.084 nan 8.250 nan 0.000 0.478 186 Q N 4.334 123.806 119.800 -0.548 0.000 2.248 186 Q HA 0.280 4.619 4.340 -0.000 0.000 0.263 186 Q C -1.827 174.003 176.000 -0.284 0.000 1.007 186 Q CA -2.237 53.354 55.803 -0.353 0.000 0.877 186 Q CB 0.970 29.495 28.738 -0.355 0.000 1.315 186 Q HN 0.447 nan 8.270 nan 0.000 0.454 187 P HA -0.143 nan 4.420 nan 0.000 0.218 187 P C 0.393 177.635 177.300 -0.096 0.000 1.149 187 P CA 1.266 64.293 63.100 -0.122 0.000 0.817 187 P CB 0.263 31.911 31.700 -0.087 0.000 0.785 188 D N -1.880 118.457 120.400 -0.104 0.000 2.349 188 D HA 0.069 4.709 4.640 -0.000 0.000 0.224 188 D C 1.421 177.715 176.300 -0.010 0.000 1.029 188 D CA 0.684 54.675 54.000 -0.017 0.000 0.879 188 D CB -0.822 40.014 40.800 0.059 0.000 0.906 188 D HN 0.239 nan 8.370 nan 0.000 0.528 189 G N -0.196 108.516 108.800 -0.147 0.000 2.213 189 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.226 189 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.226 189 G C 0.495 175.220 174.900 -0.293 0.000 0.992 189 G CA 0.351 45.385 45.100 -0.111 0.000 0.632 189 G HN 0.803 nan 8.290 nan 0.000 0.511 190 S N -0.433 114.861 115.700 -0.678 0.000 2.686 190 S HA 0.854 5.324 4.470 -0.000 0.000 0.270 190 S C -0.349 173.885 174.600 -0.610 0.000 1.194 190 S CA -0.490 57.173 58.200 -0.896 0.000 0.990 190 S CB 1.573 63.734 63.200 -1.731 0.000 1.029 190 S HN 0.582 nan 8.310 nan 0.000 0.560 191 F N -0.635 119.051 119.950 -0.440 0.000 2.588 191 F HA 0.532 5.059 4.527 -0.000 0.000 0.310 191 F C -0.161 175.484 175.800 -0.258 0.000 1.082 191 F CA -1.024 56.809 58.000 -0.278 0.000 0.929 191 F CB 1.544 40.435 39.000 -0.180 0.000 1.254 191 F HN 0.454 nan 8.300 nan 0.000 0.455 192 L N 3.030 124.224 121.223 -0.048 0.000 2.439 192 L HA 0.207 4.547 4.340 -0.000 0.000 0.261 192 L C 1.202 178.032 176.870 -0.067 0.000 1.153 192 L CA -0.711 54.067 54.840 -0.104 0.000 0.808 192 L CB 0.523 42.483 42.059 -0.165 0.000 1.126 192 L HN 0.663 nan 8.230 nan 0.000 0.460 193 M N 0.089 119.638 119.600 -0.085 0.000 2.288 193 M HA 0.017 4.497 4.480 -0.000 0.000 0.266 193 M C 0.392 176.585 176.300 -0.179 0.000 1.072 193 M CA 1.233 56.467 55.300 -0.111 0.000 1.132 193 M CB -0.932 31.628 32.600 -0.066 0.000 1.386 193 M HN 0.792 nan 8.290 nan 0.000 0.432 194 H N -4.947 113.990 119.070 -0.222 0.000 2.967 194 H HA 0.467 5.023 4.556 -0.000 0.000 0.318 194 H C -0.912 174.394 175.328 -0.037 0.000 1.375 194 H CA -1.226 54.776 56.048 -0.077 0.000 1.132 194 H CB 0.606 30.341 29.762 -0.045 0.000 1.848 194 H HN -0.261 nan 8.280 nan 0.000 0.524 195 V N 1.781 121.699 119.914 0.006 0.000 2.509 195 V HA 0.234 4.354 4.120 -0.000 0.000 0.297 195 V C 1.529 177.494 176.094 -0.215 0.000 1.014 195 V CA 1.830 64.070 62.300 -0.100 0.000 1.127 195 V CB 0.056 31.858 31.823 -0.035 0.000 0.925 195 V HN 1.354 nan 8.190 nan 0.000 0.480 196 G N 3.640 112.300 108.800 -0.233 0.000 2.153 196 G HA2 -0.156 3.803 3.960 -0.000 0.000 0.252 196 G HA3 -0.156 3.803 3.960 -0.000 0.000 0.252 196 G C 0.473 175.170 174.900 -0.339 0.000 0.994 196 G CA 0.151 45.130 45.100 -0.203 0.000 0.698 196 G HN 1.317 nan 8.290 nan 0.000 0.521 197 G N -0.696 107.729 108.800 -0.626 0.000 2.642 197 G HA2 0.683 4.643 3.960 -0.000 0.000 0.291 197 G HA3 0.683 4.643 3.960 -0.000 0.000 0.291 197 G C 0.207 174.965 174.900 -0.236 0.000 1.345 197 G CA 0.187 44.880 45.100 -0.679 0.000 1.043 197 G HN 0.658 nan 8.290 nan 0.000 0.528 198 E N -0.920 119.233 120.200 -0.078 0.000 2.345 198 E HA 0.394 4.744 4.350 -0.000 0.000 0.259 198 E C -1.023 175.564 176.600 -0.022 0.000 1.117 198 E CA -0.456 55.938 56.400 -0.011 0.000 0.913 198 E CB 1.561 31.300 29.700 0.064 0.000 1.057 198 E HN 0.091 nan 8.360 nan 0.000 0.432 199 V N 2.002 121.905 119.914 -0.019 0.000 2.495 199 V HA 0.420 4.540 4.120 -0.000 0.000 0.298 199 V C -0.736 175.376 176.094 0.031 0.000 1.031 199 V CA -0.322 61.951 62.300 -0.044 0.000 0.871 199 V CB 1.268 33.021 31.823 -0.116 0.000 0.988 199 V HN 0.953 nan 8.190 nan 0.000 0.432 200 D N 2.311 122.748 120.400 0.063 0.000 2.710 200 D HA 0.117 4.757 4.640 -0.000 0.000 0.276 200 D C 0.218 176.667 176.300 0.248 0.000 1.267 200 D CA -0.576 53.521 54.000 0.162 0.000 0.772 200 D CB 1.600 42.405 40.800 0.008 0.000 1.299 200 D HN 0.123 nan 8.370 nan 0.000 0.421 201 V N 0.566 120.667 119.914 0.312 0.000 2.660 201 V HA -0.225 3.895 4.120 -0.000 0.000 0.257 201 V C 2.082 178.367 176.094 0.319 0.000 1.088 201 V CA 2.033 64.566 62.300 0.388 0.000 1.106 201 V CB -0.641 31.333 31.823 0.251 0.000 0.686 201 V HN 0.568 nan 8.190 nan 0.000 0.481 202 R N 0.475 121.172 120.500 0.329 0.000 2.105 202 R HA -0.151 4.189 4.340 -0.000 0.000 0.239 202 R C 2.575 179.012 176.300 0.227 0.000 1.135 202 R CA 1.719 57.998 56.100 0.297 0.000 0.967 202 R CB -0.550 29.919 30.300 0.283 0.000 0.861 202 R HN 0.782 nan 8.270 nan 0.000 0.442 203 S N 0.668 116.467 115.700 0.166 0.000 2.368 203 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 203 S C 2.255 176.833 174.600 -0.037 0.000 1.030 203 S CA 0.966 59.208 58.200 0.069 0.000 0.999 203 S CB -0.242 62.995 63.200 0.062 0.000 0.844 203 S HN 0.367 nan 8.310 nan 0.000 0.459 204 A N 1.015 123.874 122.820 0.065 0.000 1.877 204 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 204 A C 2.121 179.701 177.584 -0.008 0.000 1.186 204 A CA 1.673 53.738 52.037 0.047 0.000 0.620 204 A CB -1.350 17.792 19.000 0.236 0.000 0.822 204 A HN 0.699 nan 8.150 nan 0.000 0.443 205 Y N 0.249 120.532 120.300 -0.028 0.000 2.145 205 Y HA -0.252 4.297 4.550 -0.000 0.000 0.286 205 Y C 2.571 178.445 175.900 -0.043 0.000 1.145 205 Y CA 1.364 59.434 58.100 -0.051 0.000 1.148 205 Y CB -0.951 37.504 38.460 -0.009 0.000 0.981 205 Y HN 0.375 nan 8.280 nan 0.000 0.507 206 C N 0.621 119.783 119.300 -0.231 0.000 2.413 206 C HA -0.170 4.290 4.460 -0.000 0.000 0.276 206 C C 3.087 177.981 174.990 -0.160 0.000 1.236 206 C CA 1.340 60.219 59.018 -0.232 0.000 1.735 206 C CB -1.823 25.917 27.740 -0.000 0.000 2.031 206 C HN 0.747 nan 8.230 nan 0.000 0.474 207 A N 0.503 123.197 122.820 -0.210 0.000 1.877 207 A HA 0.067 4.387 4.320 -0.000 0.000 0.216 207 A C 2.389 179.961 177.584 -0.021 0.000 1.186 207 A CA 2.163 54.069 52.037 -0.218 0.000 0.620 207 A CB -1.044 17.552 19.000 -0.673 0.000 0.822 207 A HN 0.581 nan 8.150 nan 0.000 0.443 208 A N -0.750 121.981 122.820 -0.148 0.000 1.908 208 A HA -0.130 4.189 4.320 -0.000 0.000 0.218 208 A C 2.495 180.014 177.584 -0.109 0.000 1.181 208 A CA 2.321 54.181 52.037 -0.296 0.000 0.627 208 A CB -1.046 17.650 19.000 -0.507 0.000 0.818 208 A HN 0.599 nan 8.150 nan 0.000 0.445 209 S N -0.349 115.260 115.700 -0.153 0.000 2.351 209 S HA -0.178 4.292 4.470 -0.000 0.000 0.220 209 S C 2.103 176.757 174.600 0.089 0.000 1.035 209 S CA 2.545 60.760 58.200 0.025 0.000 1.031 209 S CB -0.925 62.222 63.200 -0.088 0.000 0.928 209 S HN 1.048 nan 8.310 nan 0.000 0.433 210 V N 0.584 120.501 119.914 0.005 0.000 2.407 210 V HA 0.091 4.211 4.120 -0.000 0.000 0.248 210 V C 2.544 178.609 176.094 -0.049 0.000 1.055 210 V CA 1.739 64.013 62.300 -0.044 0.000 1.049 210 V CB -1.717 30.090 31.823 -0.027 0.000 0.662 210 V HN 0.539 nan 8.190 nan 0.000 0.455 211 A N 1.565 124.397 122.820 0.020 0.000 1.930 211 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 211 A C 2.566 180.176 177.584 0.043 0.000 1.175 211 A CA 2.315 54.380 52.037 0.048 0.000 0.627 211 A CB -0.889 18.230 19.000 0.199 0.000 0.815 211 A HN 0.892 nan 8.150 nan 0.000 0.443 212 S N 0.186 115.928 115.700 0.070 0.000 2.357 212 S HA -0.055 4.415 4.470 -0.000 0.000 0.221 212 S C 1.911 176.512 174.600 0.001 0.000 1.031 212 S CA 1.271 59.516 58.200 0.075 0.000 0.982 212 S CB -0.831 62.459 63.200 0.151 0.000 0.853 212 S HN 0.411 nan 8.310 nan 0.000 0.458 213 L N 2.016 123.203 121.223 -0.059 0.000 2.042 213 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 213 L C 2.952 179.668 176.870 -0.257 0.000 1.076 213 L CA 1.718 56.450 54.840 -0.180 0.000 0.749 213 L CB -1.170 40.734 42.059 -0.258 0.000 0.893 213 L HN 0.625 nan 8.230 nan 0.000 0.432 214 T N -4.235 110.071 114.554 -0.413 0.000 3.129 214 T HA 0.040 4.390 4.350 -0.000 0.000 0.251 214 T C 0.846 175.338 174.700 -0.347 0.000 1.117 214 T CA 0.211 61.824 62.100 -0.812 0.000 1.034 214 T CB -0.345 68.070 68.868 -0.754 0.000 0.968 214 T HN 0.354 nan 8.240 nan 0.000 0.526 215 N N 1.214 119.840 118.700 -0.123 0.000 2.708 215 N HA -0.173 4.567 4.740 -0.000 0.000 0.255 215 N C 0.220 175.718 175.510 -0.021 0.000 1.046 215 N CA 0.908 53.945 53.050 -0.021 0.000 0.715 215 N CB -1.900 36.607 38.487 0.033 0.000 0.895 215 N HN 0.910 nan 8.380 nan 0.000 0.545 216 I N -2.751 117.804 120.570 -0.026 0.000 4.050 216 I HA 0.378 4.548 4.170 -0.000 0.000 0.327 216 I C 0.052 176.168 176.117 -0.003 0.000 1.473 216 I CA -0.625 60.667 61.300 -0.014 0.000 1.124 216 I CB 0.164 38.139 38.000 -0.041 0.000 1.129 216 I HN 0.033 nan 8.210 nan 0.000 0.428 217 I N 3.963 124.556 120.570 0.038 0.000 2.421 217 I HA 0.107 4.277 4.170 -0.000 0.000 0.291 217 I C 0.898 177.048 176.117 0.054 0.000 1.089 217 I CA 0.121 61.462 61.300 0.068 0.000 1.354 217 I CB 0.712 38.827 38.000 0.191 0.000 1.413 217 I HN 0.347 nan 8.210 nan 0.000 0.513 218 T N 4.085 118.647 114.554 0.014 0.000 2.902 218 T HA 0.324 4.674 4.350 -0.000 0.000 0.280 218 T C -1.158 173.584 174.700 0.069 0.000 0.992 218 T CA -1.680 60.457 62.100 0.060 0.000 1.015 218 T CB 1.420 70.354 68.868 0.111 0.000 1.044 218 T HN 0.397 nan 8.240 nan 0.000 0.520 219 P HA -0.108 nan 4.420 nan 0.000 0.218 219 P C 0.748 178.098 177.300 0.083 0.000 1.148 219 P CA 1.361 64.510 63.100 0.082 0.000 0.822 219 P CB 0.060 31.802 31.700 0.069 0.000 0.784 220 D N -1.290 119.161 120.400 0.084 0.000 2.398 220 D HA -0.022 4.618 4.640 -0.000 0.000 0.210 220 D C 1.858 178.182 176.300 0.040 0.000 1.094 220 D CA -0.250 53.797 54.000 0.079 0.000 0.839 220 D CB -0.796 40.055 40.800 0.085 0.000 0.963 220 D HN 0.013 nan 8.370 nan 0.000 0.506 221 L N 0.274 121.452 121.223 -0.075 0.000 1.990 221 L HA -0.065 4.275 4.340 -0.000 0.000 0.213 221 L C 1.219 177.832 176.870 -0.429 0.000 1.072 221 L CA 1.753 56.334 54.840 -0.432 0.000 0.755 221 L CB -0.740 40.857 42.059 -0.769 0.000 0.889 221 L HN -0.039 nan 8.230 nan 0.000 0.432 222 F N -0.602 119.396 119.950 0.080 0.000 2.713 222 F HA 0.242 4.769 4.527 -0.000 0.000 0.294 222 F C 0.794 176.643 175.800 0.083 0.000 1.152 222 F CA -0.657 57.420 58.000 0.127 0.000 1.385 222 F CB -0.276 38.794 39.000 0.117 0.000 0.981 222 F HN 0.035 nan 8.300 nan 0.000 0.514 223 E N 0.548 120.831 120.200 0.138 0.000 2.493 223 E HA 0.269 4.619 4.350 -0.000 0.000 0.255 223 E C 1.280 177.933 176.600 0.088 0.000 0.999 223 E CA 1.163 57.621 56.400 0.097 0.000 0.934 223 E CB 0.291 30.017 29.700 0.043 0.000 0.940 223 E HN 0.496 nan 8.360 nan 0.000 0.473 224 G N 3.202 112.066 108.800 0.108 0.000 2.212 224 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.266 224 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.266 224 G C 1.195 176.206 174.900 0.185 0.000 0.978 224 G CA 0.798 45.968 45.100 0.116 0.000 0.632 224 G HN 0.614 nan 8.290 nan 0.000 0.537 225 T N 0.842 115.532 114.554 0.228 0.000 2.777 225 T HA 0.158 4.508 4.350 -0.000 0.000 0.266 225 T C 2.783 177.652 174.700 0.282 0.000 1.040 225 T CA 2.327 64.617 62.100 0.317 0.000 1.141 225 T CB -0.408 68.736 68.868 0.460 0.000 0.868 225 T HN 1.180 nan 8.240 nan 0.000 0.444 226 A N 1.523 124.454 122.820 0.185 0.000 1.933 226 A HA -0.119 4.200 4.320 -0.000 0.000 0.218 226 A C 2.223 179.868 177.584 0.101 0.000 1.175 226 A CA 1.627 53.733 52.037 0.115 0.000 0.628 226 A CB -0.491 18.552 19.000 0.072 0.000 0.814 226 A HN 0.424 nan 8.150 nan 0.000 0.444 227 E N -1.420 118.850 120.200 0.118 0.000 2.072 227 E HA -0.166 4.183 4.350 -0.000 0.000 0.191 227 E C 1.561 178.207 176.600 0.078 0.000 0.985 227 E CA 1.168 57.615 56.400 0.078 0.000 0.801 227 E CB -0.364 29.385 29.700 0.082 0.000 0.750 227 E HN 0.813 nan 8.360 nan 0.000 0.452 228 W N 1.075 122.383 121.300 0.015 0.000 2.335 228 W HA -0.153 4.506 4.660 -0.000 0.000 0.311 228 W C 1.756 178.273 176.519 -0.003 0.000 1.213 228 W CA 1.653 59.002 57.345 0.007 0.000 1.274 228 W CB -0.275 29.199 29.460 0.023 0.000 1.148 228 W HN -0.008 nan 8.180 nan 0.000 0.498 229 I N 0.543 121.183 120.570 0.118 0.000 2.208 229 I HA -0.331 3.839 4.170 -0.000 0.000 0.245 229 I C 2.572 178.574 176.117 -0.190 0.000 1.097 229 I CA 1.521 62.794 61.300 -0.045 0.000 1.363 229 I CB -1.123 36.931 38.000 0.091 0.000 1.051 229 I HN 0.081 nan 8.210 nan 0.000 0.413 230 A N 0.731 123.478 122.820 -0.121 0.000 1.972 230 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 230 A C 2.327 179.793 177.584 -0.196 0.000 1.169 230 A CA 1.302 53.261 52.037 -0.130 0.000 0.635 230 A CB -0.548 18.409 19.000 -0.071 0.000 0.810 230 A HN 0.340 nan 8.150 nan 0.000 0.446 231 R N -1.024 119.312 120.500 -0.275 0.000 2.285 231 R HA -0.078 4.262 4.340 -0.000 0.000 0.213 231 R C 1.584 177.660 176.300 -0.374 0.000 1.068 231 R CA 1.126 57.040 56.100 -0.310 0.000 1.004 231 R CB -0.563 29.519 30.300 -0.364 0.000 0.873 231 R HN 0.619 nan 8.270 nan 0.000 0.467 232 C N 0.289 119.319 119.300 -0.451 0.000 2.514 232 C HA 0.024 4.484 4.460 -0.000 0.000 0.271 232 C C 1.388 176.194 174.990 -0.306 0.000 1.399 232 C CA -0.388 58.379 59.018 -0.419 0.000 1.765 232 C CB -0.716 26.736 27.740 -0.480 0.000 1.893 232 C HN 0.445 nan 8.230 nan 0.000 0.531 233 Q N 2.740 122.382 119.800 -0.264 0.000 2.313 233 Q HA 0.147 4.487 4.340 -0.000 0.000 0.266 233 Q C 0.155 176.019 176.000 -0.226 0.000 0.989 233 Q CA 0.308 55.958 55.803 -0.255 0.000 0.890 233 Q CB 0.561 29.179 28.738 -0.200 0.000 1.200 233 Q HN 0.709 nan 8.270 nan 0.000 0.396 234 N N 3.517 122.046 118.700 -0.284 0.000 2.879 234 N HA 0.135 4.875 4.740 -0.000 0.000 0.329 234 N C 0.749 176.151 175.510 -0.181 0.000 1.337 234 N CA -0.602 52.321 53.050 -0.212 0.000 0.844 234 N CB -0.407 37.917 38.487 -0.271 0.000 1.236 234 N HN 0.864 nan 8.380 nan 0.000 0.601 235 W N -0.658 120.588 121.300 -0.091 0.000 2.424 235 W HA 0.013 4.673 4.660 -0.000 0.000 0.264 235 W C 0.301 176.797 176.519 -0.038 0.000 1.229 235 W CA 0.641 57.954 57.345 -0.054 0.000 1.208 235 W CB -0.837 28.604 29.460 -0.032 0.000 1.127 235 W HN 0.568 nan 8.180 nan 0.000 0.588 236 E N 0.147 119.917 120.200 -0.717 0.000 2.299 236 E HA 0.158 4.508 4.350 -0.000 0.000 0.193 236 E C 2.099 178.524 176.600 -0.291 0.000 0.998 236 E CA 0.789 56.824 56.400 -0.609 0.000 0.851 236 E CB -0.200 28.948 29.700 -0.921 0.000 0.795 236 E HN 0.391 nan 8.360 nan 0.000 0.492 237 G N 0.829 109.419 108.800 -0.350 0.000 2.284 237 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 237 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 237 G C 0.631 175.261 174.900 -0.450 0.000 1.009 237 G CA -0.233 44.734 45.100 -0.221 0.000 0.625 237 G HN 0.514 nan 8.290 nan 0.000 0.501 238 G N -0.312 107.841 108.800 -1.079 0.000 2.508 238 G HA2 0.616 4.575 3.960 -0.000 0.000 0.278 238 G HA3 0.616 4.575 3.960 -0.000 0.000 0.278 238 G C -0.183 174.206 174.900 -0.851 0.000 1.389 238 G CA -0.372 43.820 45.100 -1.514 0.000 1.050 238 G HN 0.730 nan 8.290 nan 0.000 0.522 239 I N 0.061 120.211 120.570 -0.700 0.000 2.465 239 I HA 0.466 4.635 4.170 -0.000 0.000 0.291 239 I C 0.747 176.712 176.117 -0.254 0.000 1.014 239 I CA -0.749 60.322 61.300 -0.382 0.000 1.093 239 I CB 2.120 39.974 38.000 -0.242 0.000 1.267 239 I HN 0.604 nan 8.210 nan 0.000 0.431 240 G N 2.607 111.262 108.800 -0.241 0.000 2.531 240 G HA2 0.442 4.401 3.960 -0.000 0.000 0.313 240 G HA3 0.442 4.401 3.960 -0.000 0.000 0.313 240 G C 0.882 175.559 174.900 -0.372 0.000 1.238 240 G CA -0.100 44.890 45.100 -0.183 0.000 0.994 240 G HN 0.768 nan 8.290 nan 0.000 0.493 241 G N -1.337 107.032 108.800 -0.719 0.000 2.421 241 G HA2 0.208 4.168 3.960 -0.000 0.000 0.216 241 G HA3 0.208 4.168 3.960 -0.000 0.000 0.216 241 G C 0.669 175.283 174.900 -0.476 0.000 1.171 241 G CA 1.951 46.290 45.100 -1.268 0.000 0.775 241 G HN 1.467 nan 8.290 nan 0.000 0.543 242 V N -4.455 115.279 119.914 -0.300 0.000 3.130 242 V HA 0.663 4.783 4.120 -0.000 0.000 0.310 242 V C -2.994 172.951 176.094 -0.249 0.000 1.158 242 V CA -3.069 59.133 62.300 -0.164 0.000 1.029 242 V CB 1.764 33.600 31.823 0.022 0.000 1.057 242 V HN -0.109 nan 8.190 nan 0.000 0.436 243 P HA 0.337 nan 4.420 nan 0.000 0.261 243 P C 0.964 178.185 177.300 -0.131 0.000 1.183 243 P CA 2.117 65.062 63.100 -0.258 0.000 0.761 243 P CB 0.555 32.098 31.700 -0.262 0.000 0.785 244 G N 2.078 110.816 108.800 -0.103 0.000 2.254 244 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.225 244 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.225 244 G C 0.204 175.099 174.900 -0.009 0.000 1.003 244 G CA -0.467 44.614 45.100 -0.031 0.000 0.622 244 G HN 0.395 nan 8.290 nan 0.000 0.507 245 M N 1.484 121.048 119.600 -0.060 0.000 2.255 245 M HA 0.382 4.862 4.480 -0.000 0.000 0.336 245 M C 0.760 177.029 176.300 -0.051 0.000 1.135 245 M CA -0.763 54.512 55.300 -0.042 0.000 1.145 245 M CB 0.838 33.390 32.600 -0.079 0.000 1.473 245 M HN 0.401 nan 8.290 nan 0.000 0.462 246 E N 1.269 121.471 120.200 0.004 0.000 2.502 246 E HA 0.192 4.542 4.350 -0.000 0.000 0.261 246 E C -0.639 175.921 176.600 -0.068 0.000 0.974 246 E CA -0.316 56.074 56.400 -0.016 0.000 0.936 246 E CB 0.680 30.426 29.700 0.077 0.000 0.926 246 E HN 0.693 nan 8.360 nan 0.000 0.459 247 A N 5.177 127.858 122.820 -0.232 0.000 2.488 247 A HA 0.078 4.398 4.320 -0.000 0.000 0.249 247 A C -0.431 177.159 177.584 0.011 0.000 1.083 247 A CA 0.143 51.958 52.037 -0.370 0.000 0.768 247 A CB 0.295 18.719 19.000 -0.961 0.000 1.017 247 A HN 0.710 nan 8.150 nan 0.000 0.496 248 H N 1.567 120.621 119.070 -0.026 0.000 2.894 248 H HA 0.375 4.931 4.556 -0.000 0.000 0.367 248 H C 1.183 176.619 175.328 0.180 0.000 1.144 248 H CA 0.146 56.290 56.048 0.159 0.000 1.180 248 H CB 1.791 31.639 29.762 0.143 0.000 1.758 248 H HN 0.667 nan 8.280 nan 0.000 0.541 249 G N 2.258 111.070 108.800 0.020 0.000 2.469 249 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 249 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 249 G C 1.504 176.521 174.900 0.195 0.000 1.150 249 G CA 0.892 46.080 45.100 0.147 0.000 0.763 249 G HN 0.669 nan 8.290 nan 0.000 0.561 250 G N -0.254 108.623 108.800 0.128 0.000 2.418 250 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 250 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 250 G C 1.618 176.365 174.900 -0.254 0.000 1.158 250 G CA 0.883 45.754 45.100 -0.382 0.000 0.771 250 G HN 0.535 nan 8.290 nan 0.000 0.545 251 Y N 0.708 121.031 120.300 0.038 0.000 2.263 251 Y HA -0.052 4.498 4.550 -0.000 0.000 0.292 251 Y C 3.348 179.229 175.900 -0.031 0.000 1.130 251 Y CA 1.149 59.241 58.100 -0.014 0.000 1.179 251 Y CB -0.196 38.245 38.460 -0.031 0.000 0.998 251 Y HN 0.105 nan 8.280 nan 0.000 0.532 252 T N 0.624 115.253 114.554 0.125 0.000 2.746 252 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 252 T C 1.543 176.248 174.700 0.009 0.000 1.039 252 T CA 1.468 63.574 62.100 0.010 0.000 1.142 252 T CB -0.638 68.231 68.868 0.002 0.000 0.866 252 T HN 0.312 nan 8.240 nan 0.000 0.444 253 F N 1.509 121.462 119.950 0.004 0.000 2.075 253 F HA -0.172 4.355 4.527 -0.000 0.000 0.297 253 F C 2.485 178.195 175.800 -0.150 0.000 1.113 253 F CA 0.795 58.775 58.000 -0.032 0.000 1.218 253 F CB -0.840 38.240 39.000 0.133 0.000 0.984 253 F HN 0.151 nan 8.300 nan 0.000 0.472 254 C N 0.866 120.057 119.300 -0.182 0.000 2.401 254 C HA -0.145 4.315 4.460 -0.000 0.000 0.276 254 C C 3.090 177.966 174.990 -0.190 0.000 1.233 254 C CA 1.295 60.134 59.018 -0.299 0.000 1.753 254 C CB -1.982 25.789 27.740 0.051 0.000 2.029 254 C HN 0.754 nan 8.230 nan 0.000 0.478 255 G N 0.049 108.790 108.800 -0.098 0.000 2.453 255 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.215 255 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.215 255 G C 1.489 176.310 174.900 -0.132 0.000 1.201 255 G CA 1.014 46.074 45.100 -0.068 0.000 0.784 255 G HN 0.439 nan 8.290 nan 0.000 0.545 256 L N 1.484 122.585 121.223 -0.203 0.000 2.017 256 L HA 0.152 4.492 4.340 -0.000 0.000 0.208 256 L C 3.092 179.810 176.870 -0.254 0.000 1.073 256 L CA 2.202 56.920 54.840 -0.202 0.000 0.745 256 L CB -0.872 41.072 42.059 -0.191 0.000 0.894 256 L HN 0.255 nan 8.230 nan 0.000 0.432 257 A N -0.448 122.093 122.820 -0.464 0.000 1.908 257 A HA -0.155 4.164 4.320 -0.000 0.000 0.218 257 A C 2.456 179.967 177.584 -0.121 0.000 1.181 257 A CA 2.070 53.865 52.037 -0.404 0.000 0.627 257 A CB -1.238 17.269 19.000 -0.823 0.000 0.818 257 A HN 0.590 nan 8.150 nan 0.000 0.445 258 A N -0.428 122.372 122.820 -0.034 0.000 1.902 258 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 258 A C 2.172 179.703 177.584 -0.088 0.000 1.181 258 A CA 1.453 53.487 52.037 -0.006 0.000 0.623 258 A CB -0.582 18.442 19.000 0.042 0.000 0.818 258 A HN 0.474 nan 8.150 nan 0.000 0.443 259 L N -0.548 120.631 121.223 -0.074 0.000 2.083 259 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 259 L C 2.500 179.335 176.870 -0.059 0.000 1.083 259 L CA 0.941 55.744 54.840 -0.061 0.000 0.752 259 L CB -0.449 41.579 42.059 -0.050 0.000 0.899 259 L HN 0.258 nan 8.230 nan 0.000 0.433 260 V N 0.106 119.979 119.914 -0.067 0.000 2.358 260 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 260 V C 2.289 178.366 176.094 -0.029 0.000 1.047 260 V CA 1.645 63.921 62.300 -0.039 0.000 1.035 260 V CB -0.210 31.587 31.823 -0.042 0.000 0.658 260 V HN 0.316 nan 8.190 nan 0.000 0.452 261 I N -0.381 120.150 120.570 -0.064 0.000 2.226 261 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 261 I C 2.013 178.088 176.117 -0.070 0.000 1.100 261 I CA 1.612 62.874 61.300 -0.063 0.000 1.374 261 I CB -0.203 37.723 38.000 -0.123 0.000 1.057 261 I HN 0.251 nan 8.210 nan 0.000 0.413 262 L N 0.255 121.410 121.223 -0.114 0.000 2.599 262 L HA -0.011 4.329 4.340 -0.000 0.000 0.230 262 L C 0.455 177.312 176.870 -0.022 0.000 1.141 262 L CA 0.218 55.001 54.840 -0.095 0.000 0.877 262 L CB -0.353 41.625 42.059 -0.135 0.000 1.009 262 L HN 0.202 nan 8.230 nan 0.000 0.447 263 K N 0.552 120.945 120.400 -0.011 0.000 3.096 263 K HA -0.170 4.149 4.320 -0.000 0.000 0.266 263 K C 0.153 176.759 176.600 0.010 0.000 1.043 263 K CA 0.442 56.736 56.287 0.011 0.000 0.758 263 K CB -0.779 31.737 32.500 0.026 0.000 1.260 263 K HN 0.123 nan 8.250 nan 0.000 0.481 264 K N -0.225 120.175 120.400 -0.001 0.000 2.619 264 K HA 0.062 4.382 4.320 -0.000 0.000 0.201 264 K C 0.226 176.823 176.600 -0.005 0.000 1.090 264 K CA -0.006 56.283 56.287 0.004 0.000 1.063 264 K CB 0.946 33.452 32.500 0.010 0.000 0.810 264 K HN 0.193 nan 8.250 nan 0.000 0.506 265 E N 0.905 121.100 120.200 -0.008 0.000 2.171 265 E HA -0.150 4.200 4.350 -0.000 0.000 0.197 265 E C 1.522 178.116 176.600 -0.009 0.000 0.997 265 E CA 1.145 57.537 56.400 -0.015 0.000 0.810 265 E CB -0.123 29.572 29.700 -0.008 0.000 0.738 265 E HN 0.188 nan 8.360 nan 0.000 0.467 266 R N 0.446 120.945 120.500 -0.001 0.000 2.193 266 R HA -0.010 4.330 4.340 -0.000 0.000 0.229 266 R C 2.008 178.306 176.300 -0.003 0.000 1.110 266 R CA 1.082 57.182 56.100 0.001 0.000 0.988 266 R CB -0.227 30.076 30.300 0.006 0.000 0.871 266 R HN 0.101 nan 8.270 nan 0.000 0.458 267 S N 0.882 116.579 115.700 -0.006 0.000 2.442 267 S HA -0.028 4.442 4.470 -0.000 0.000 0.236 267 S C 1.019 175.606 174.600 -0.023 0.000 1.007 267 S CA 0.703 58.898 58.200 -0.010 0.000 0.965 267 S CB -0.050 63.146 63.200 -0.007 0.000 0.773 267 S HN 0.169 nan 8.310 nan 0.000 0.504 268 L N 1.723 122.929 121.223 -0.028 0.000 2.416 268 L HA 0.350 4.689 4.340 -0.000 0.000 0.262 268 L C 0.600 177.455 176.870 -0.026 0.000 1.093 268 L CA -0.726 54.090 54.840 -0.040 0.000 0.801 268 L CB 0.236 42.266 42.059 -0.050 0.000 1.191 268 L HN 0.012 nan 8.230 nan 0.000 0.459 269 N N 1.482 120.164 118.700 -0.030 0.000 2.868 269 N HA 0.157 4.897 4.740 -0.000 0.000 0.252 269 N C 0.732 176.240 175.510 -0.004 0.000 1.130 269 N CA 0.014 53.056 53.050 -0.013 0.000 1.026 269 N CB 0.350 38.830 38.487 -0.013 0.000 1.335 269 N HN 0.576 nan 8.380 nan 0.000 0.516 270 L N 1.583 122.809 121.223 0.006 0.000 2.129 270 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 270 L C 2.363 179.257 176.870 0.041 0.000 1.087 270 L CA 1.181 56.034 54.840 0.021 0.000 0.757 270 L CB -0.240 41.833 42.059 0.024 0.000 0.896 270 L HN 0.513 nan 8.230 nan 0.000 0.434 271 K N 0.590 121.013 120.400 0.040 0.000 2.025 271 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 271 K C 2.351 178.990 176.600 0.065 0.000 1.049 271 K CA 1.860 58.179 56.287 0.053 0.000 0.933 271 K CB -0.069 32.457 32.500 0.044 0.000 0.714 271 K HN 0.344 nan 8.250 nan 0.000 0.438 272 S N 0.904 116.636 115.700 0.052 0.000 2.428 272 S HA -0.119 4.351 4.470 -0.000 0.000 0.230 272 S C 1.969 176.623 174.600 0.091 0.000 1.014 272 S CA 0.732 58.971 58.200 0.064 0.000 0.957 272 S CB -0.346 62.875 63.200 0.035 0.000 0.784 272 S HN 0.328 nan 8.310 nan 0.000 0.499 273 L N 1.447 122.709 121.223 0.064 0.000 2.027 273 L HA 0.182 4.522 4.340 -0.000 0.000 0.206 273 L C 2.226 179.215 176.870 0.198 0.000 1.074 273 L CA 1.568 56.466 54.840 0.098 0.000 0.745 273 L CB -1.339 40.738 42.059 0.031 0.000 0.898 273 L HN 0.424 nan 8.230 nan 0.000 0.433 274 L N -0.286 121.022 121.223 0.141 0.000 2.042 274 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 274 L C 2.598 179.559 176.870 0.153 0.000 1.076 274 L CA 2.190 57.118 54.840 0.146 0.000 0.749 274 L CB -0.727 41.405 42.059 0.122 0.000 0.893 274 L HN 0.564 nan 8.230 nan 0.000 0.432 275 Q N -1.841 118.047 119.800 0.145 0.000 2.167 275 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 275 Q C 2.048 178.133 176.000 0.142 0.000 0.970 275 Q CA 1.882 57.761 55.803 0.127 0.000 0.855 275 Q CB -0.422 28.383 28.738 0.111 0.000 0.911 275 Q HN 0.693 nan 8.270 nan 0.000 0.438 276 W N -0.396 120.904 121.300 -0.001 0.000 2.378 276 W HA -0.170 4.490 4.660 -0.000 0.000 0.313 276 W C 1.928 178.445 176.519 -0.004 0.000 1.197 276 W CA 1.434 58.762 57.345 -0.028 0.000 1.304 276 W CB -0.565 28.850 29.460 -0.076 0.000 1.148 276 W HN 0.021 nan 8.180 nan 0.000 0.494 277 V N 1.457 121.421 119.914 0.082 0.000 2.343 277 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 277 V C 2.487 178.541 176.094 -0.067 0.000 1.051 277 V CA 3.281 65.481 62.300 -0.167 0.000 1.036 277 V CB -1.160 30.711 31.823 0.080 0.000 0.654 277 V HN 0.480 nan 8.190 nan 0.000 0.451 278 T N -2.882 111.698 114.554 0.044 0.000 2.833 278 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 278 T C 1.860 176.541 174.700 -0.030 0.000 1.054 278 T CA 1.794 63.950 62.100 0.094 0.000 1.135 278 T CB -0.625 68.314 68.868 0.119 0.000 0.869 278 T HN 0.458 nan 8.240 nan 0.000 0.466 279 S N 0.965 116.595 115.700 -0.116 0.000 2.515 279 S HA 0.094 4.564 4.470 -0.000 0.000 0.231 279 S C 1.919 176.356 174.600 -0.271 0.000 0.987 279 S CA 0.094 58.193 58.200 -0.169 0.000 0.936 279 S CB -0.195 62.912 63.200 -0.156 0.000 0.766 279 S HN 0.419 nan 8.310 nan 0.000 0.528 280 R N 1.186 121.482 120.500 -0.341 0.000 2.299 280 R HA 0.159 4.499 4.340 -0.000 0.000 0.197 280 R C 0.831 176.914 176.300 -0.361 0.000 0.971 280 R CA 0.090 55.983 56.100 -0.345 0.000 1.030 280 R CB -0.313 29.734 30.300 -0.422 0.000 0.932 280 R HN 0.500 nan 8.270 nan 0.000 0.477 281 Q N 1.183 120.613 119.800 -0.616 0.000 2.288 281 Q HA 0.140 4.480 4.340 -0.000 0.000 0.258 281 Q C -0.495 175.227 176.000 -0.465 0.000 0.957 281 Q CA -0.299 54.885 55.803 -1.031 0.000 0.919 281 Q CB 0.745 28.802 28.738 -1.134 0.000 1.185 281 Q HN -0.145 nan 8.270 nan 0.000 0.408 282 M N 4.567 123.944 119.600 -0.372 0.000 2.251 282 M HA 0.041 4.521 4.480 -0.000 0.000 0.346 282 M C 1.202 177.448 176.300 -0.091 0.000 1.499 282 M CA 0.569 55.763 55.300 -0.177 0.000 1.128 282 M CB 0.237 32.756 32.600 -0.135 0.000 1.809 282 M HN 0.703 nan 8.290 nan 0.000 0.464 283 R N 1.783 122.263 120.500 -0.033 0.000 2.127 283 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 283 R C 1.424 177.769 176.300 0.074 0.000 1.134 283 R CA 1.688 57.800 56.100 0.019 0.000 0.975 283 R CB -0.467 29.840 30.300 0.013 0.000 0.865 283 R HN 0.556 nan 8.270 nan 0.000 0.447 284 F N 1.798 121.731 119.950 -0.028 0.000 2.222 284 F HA 0.142 4.669 4.527 -0.000 0.000 0.285 284 F C 1.785 177.784 175.800 0.330 0.000 1.068 284 F CA 1.076 59.096 58.000 0.033 0.000 1.265 284 F CB 0.124 39.125 39.000 0.003 0.000 1.087 284 F HN -0.100 nan 8.300 nan 0.000 0.511 285 E N 0.206 120.517 120.200 0.185 0.000 2.150 285 E HA 0.068 4.418 4.350 -0.000 0.000 0.193 285 E C 1.860 178.518 176.600 0.097 0.000 0.985 285 E CA 1.318 57.782 56.400 0.108 0.000 0.814 285 E CB -0.586 29.098 29.700 -0.027 0.000 0.752 285 E HN 0.626 nan 8.360 nan 0.000 0.466 286 G N -0.213 108.578 108.800 -0.015 0.000 2.268 286 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.240 286 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.240 286 G C 0.662 175.483 174.900 -0.133 0.000 1.010 286 G CA 0.031 45.118 45.100 -0.022 0.000 0.618 286 G HN 0.636 nan 8.290 nan 0.000 0.516 287 G N -0.650 107.909 108.800 -0.402 0.000 2.525 287 G HA2 0.603 4.563 3.960 -0.000 0.000 0.287 287 G HA3 0.603 4.563 3.960 -0.000 0.000 0.287 287 G C -0.476 174.236 174.900 -0.313 0.000 1.350 287 G CA -0.673 44.195 45.100 -0.387 0.000 1.039 287 G HN 0.291 nan 8.290 nan 0.000 0.513 288 F N -0.593 119.271 119.950 -0.143 0.000 2.507 288 F HA 0.418 4.945 4.527 -0.000 0.000 0.327 288 F C 0.727 176.484 175.800 -0.072 0.000 1.068 288 F CA -0.636 57.292 58.000 -0.119 0.000 0.965 288 F CB 2.131 41.066 39.000 -0.108 0.000 1.192 288 F HN 0.529 nan 8.300 nan 0.000 0.476 289 Q N 0.502 120.298 119.800 -0.007 0.000 2.204 289 Q HA 0.593 4.933 4.340 -0.000 0.000 0.254 289 Q C 0.431 176.127 176.000 -0.507 0.000 0.981 289 Q CA -0.602 55.130 55.803 -0.119 0.000 0.897 289 Q CB 1.770 30.424 28.738 -0.140 0.000 1.273 289 Q HN 0.806 nan 8.270 nan 0.000 0.464 290 G N 0.979 109.287 108.800 -0.820 0.000 2.453 290 G HA2 0.012 3.972 3.960 -0.000 0.000 0.215 290 G HA3 0.012 3.972 3.960 -0.000 0.000 0.215 290 G C 0.194 174.601 174.900 -0.821 0.000 1.147 290 G CA 0.148 44.379 45.100 -1.450 0.000 0.802 290 G HN 0.682 nan 8.290 nan 0.000 0.535 291 R N -2.029 118.233 120.500 -0.397 0.000 2.710 291 R HA 0.440 4.780 4.340 -0.000 0.000 0.270 291 R C -1.225 175.027 176.300 -0.081 0.000 1.021 291 R CA -0.935 55.094 56.100 -0.119 0.000 0.889 291 R CB 0.203 30.517 30.300 0.023 0.000 1.243 291 R HN -0.029 nan 8.270 nan 0.000 0.464 292 C N 2.443 121.738 119.300 -0.008 0.000 2.538 292 C HA 0.052 4.512 4.460 -0.000 0.000 0.408 292 C C 0.767 175.764 174.990 0.012 0.000 1.421 292 C CA 1.062 60.070 59.018 -0.017 0.000 1.642 292 C CB -1.363 26.400 27.740 0.038 0.000 2.553 292 C HN 1.000 nan 8.230 nan 0.000 0.604 293 N N 2.339 121.036 118.700 -0.005 0.000 2.800 293 N HA -0.132 4.608 4.740 -0.000 0.000 0.250 293 N C -0.361 175.159 175.510 0.017 0.000 1.078 293 N CA 1.295 54.353 53.050 0.012 0.000 0.804 293 N CB -0.663 37.846 38.487 0.037 0.000 1.135 293 N HN 0.787 nan 8.380 nan 0.000 0.565 294 K N 0.077 120.479 120.400 0.004 0.000 2.354 294 K HA 0.562 4.882 4.320 -0.000 0.000 0.238 294 K C 0.673 177.284 176.600 0.018 0.000 1.068 294 K CA -0.748 55.554 56.287 0.024 0.000 0.925 294 K CB 1.101 33.624 32.500 0.039 0.000 1.286 294 K HN -0.064 nan 8.250 nan 0.000 0.500 295 L N 0.887 122.142 121.223 0.053 0.000 2.421 295 L HA 0.286 4.626 4.340 -0.000 0.000 0.263 295 L C 0.536 177.456 176.870 0.082 0.000 1.122 295 L CA -0.863 54.012 54.840 0.059 0.000 0.804 295 L CB 1.086 43.190 42.059 0.075 0.000 1.150 295 L HN 0.253 nan 8.230 nan 0.000 0.457 296 V N 1.317 121.260 119.914 0.049 0.000 2.872 296 V HA 0.096 4.216 4.120 -0.000 0.000 0.307 296 V C -0.477 175.707 176.094 0.151 0.000 1.072 296 V CA 0.529 62.845 62.300 0.028 0.000 1.148 296 V CB 1.258 32.998 31.823 -0.139 0.000 0.954 296 V HN 0.871 nan 8.190 nan 0.000 0.490 297 D N 3.060 123.605 120.400 0.242 0.000 2.937 297 D HA 0.343 4.983 4.640 -0.000 0.000 0.215 297 D C 0.708 177.181 176.300 0.289 0.000 1.274 297 D CA 0.187 54.353 54.000 0.275 0.000 0.869 297 D CB 1.813 42.778 40.800 0.274 0.000 1.675 297 D HN 0.586 nan 8.370 nan 0.000 0.538 298 G N 1.673 110.668 108.800 0.325 0.000 2.469 298 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 298 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 298 G C 1.780 176.786 174.900 0.175 0.000 1.136 298 G CA 1.438 46.731 45.100 0.322 0.000 0.759 298 G HN 0.756 nan 8.290 nan 0.000 0.562 299 C N -1.266 118.084 119.300 0.083 0.000 2.419 299 C HA 0.079 4.539 4.460 -0.000 0.000 0.281 299 C C 2.375 177.269 174.990 -0.160 0.000 1.336 299 C CA 0.343 59.242 59.018 -0.197 0.000 1.770 299 C CB -1.681 25.764 27.740 -0.490 0.000 1.929 299 C HN 0.471 nan 8.230 nan 0.000 0.509 300 Y N 1.974 122.372 120.300 0.163 0.000 2.616 300 Y HA -0.051 4.499 4.550 -0.000 0.000 0.296 300 Y C 2.740 178.579 175.900 -0.101 0.000 1.154 300 Y CA 0.645 58.806 58.100 0.102 0.000 1.325 300 Y CB -0.321 38.213 38.460 0.124 0.000 1.007 300 Y HN 0.332 nan 8.280 nan 0.000 0.542 301 S N -0.029 115.724 115.700 0.087 0.000 2.419 301 S HA -0.183 4.287 4.470 -0.000 0.000 0.233 301 S C 1.511 176.006 174.600 -0.176 0.000 1.016 301 S CA 1.303 59.512 58.200 0.015 0.000 0.974 301 S CB -0.306 62.977 63.200 0.138 0.000 0.786 301 S HN 0.560 nan 8.310 nan 0.000 0.492 302 F N 0.199 119.961 119.950 -0.313 0.000 2.298 302 F HA 0.198 4.724 4.527 -0.000 0.000 0.282 302 F C 1.597 177.091 175.800 -0.511 0.000 1.045 302 F CA 0.083 57.814 58.000 -0.449 0.000 1.280 302 F CB -0.668 38.025 39.000 -0.512 0.000 1.114 302 F HN 0.138 nan 8.300 nan 0.000 0.546 303 W N 1.231 122.306 121.300 -0.375 0.000 2.318 303 W HA -0.249 4.411 4.660 -0.000 0.000 0.313 303 W C 2.455 178.766 176.519 -0.345 0.000 1.221 303 W CA 1.260 58.372 57.345 -0.389 0.000 1.266 303 W CB -0.642 28.818 29.460 -0.000 0.000 1.150 303 W HN 0.093 nan 8.180 nan 0.000 0.496 304 Q N -0.114 119.566 119.800 -0.200 0.000 2.036 304 Q HA -0.018 4.322 4.340 -0.000 0.000 0.195 304 Q C 2.478 177.956 176.000 -0.868 0.000 0.971 304 Q CA 1.576 57.081 55.803 -0.498 0.000 0.826 304 Q CB -1.380 26.943 28.738 -0.692 0.000 0.896 304 Q HN 0.311 nan 8.270 nan 0.000 0.449 305 A N 1.104 123.138 122.820 -1.310 0.000 1.972 305 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 305 A C 2.253 179.332 177.584 -0.840 0.000 1.169 305 A CA 1.686 52.912 52.037 -1.352 0.000 0.635 305 A CB -1.028 17.129 19.000 -1.405 0.000 0.810 305 A HN 0.459 nan 8.150 nan 0.000 0.446 306 G N -0.371 107.963 108.800 -0.777 0.000 2.498 306 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.219 306 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.219 306 G C 1.413 176.113 174.900 -0.334 0.000 1.119 306 G CA 0.905 45.604 45.100 -0.669 0.000 0.766 306 G HN 0.471 nan 8.290 nan 0.000 0.552 307 L N -0.384 120.680 121.223 -0.264 0.000 2.141 307 L HA 0.055 4.395 4.340 -0.000 0.000 0.209 307 L C 2.766 179.554 176.870 -0.136 0.000 1.094 307 L CA 0.287 55.047 54.840 -0.132 0.000 0.763 307 L CB -0.275 41.750 42.059 -0.056 0.000 0.908 307 L HN 0.182 nan 8.230 nan 0.000 0.437 308 L N -0.348 120.762 121.223 -0.188 0.000 2.017 308 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 308 L C -0.207 176.568 176.870 -0.159 0.000 1.073 308 L CA 1.574 56.386 54.840 -0.046 0.000 0.745 308 L CB -1.648 40.509 42.059 0.164 0.000 0.894 308 L HN 0.186 nan 8.230 nan 0.000 0.432 309 P HA -0.165 nan 4.420 nan 0.000 0.217 309 P C 1.905 179.093 177.300 -0.186 0.000 1.150 309 P CA 1.332 63.942 63.100 -0.815 0.000 0.832 309 P CB 0.073 31.205 31.700 -0.946 0.000 0.787 310 L N -1.637 119.501 121.223 -0.141 0.000 2.027 310 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 310 L C 2.451 179.335 176.870 0.024 0.000 1.074 310 L CA 1.357 56.167 54.840 -0.049 0.000 0.745 310 L CB -0.991 41.012 42.059 -0.093 0.000 0.898 310 L HN -0.030 nan 8.230 nan 0.000 0.433 311 L N -1.046 120.203 121.223 0.043 0.000 2.093 311 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 311 L C 2.625 179.590 176.870 0.158 0.000 1.085 311 L CA 1.128 56.022 54.840 0.090 0.000 0.755 311 L CB -0.544 41.577 42.059 0.104 0.000 0.904 311 L HN 0.322 nan 8.230 nan 0.000 0.435 312 H N 0.103 119.265 119.070 0.153 0.000 2.321 312 H HA -0.210 4.346 4.556 -0.000 0.000 0.300 312 H C 2.490 177.943 175.328 0.208 0.000 1.087 312 H CA 1.956 58.154 56.048 0.249 0.000 1.319 312 H CB 0.114 30.147 29.762 0.452 0.000 1.379 312 H HN 0.065 nan 8.280 nan 0.000 0.501 313 R N 0.101 120.768 120.500 0.277 0.000 2.096 313 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 313 R C 2.276 178.665 176.300 0.147 0.000 1.127 313 R CA 1.205 57.432 56.100 0.211 0.000 0.968 313 R CB -0.363 30.029 30.300 0.154 0.000 0.861 313 R HN 0.423 nan 8.270 nan 0.000 0.440 314 A N 1.152 124.032 122.820 0.100 0.000 1.855 314 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 314 A C 2.218 179.834 177.584 0.055 0.000 1.191 314 A CA 1.046 53.121 52.037 0.064 0.000 0.613 314 A CB -0.536 18.489 19.000 0.042 0.000 0.829 314 A HN 0.329 nan 8.150 nan 0.000 0.442 315 L N -1.259 119.995 121.223 0.051 0.000 2.083 315 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 315 L C 2.710 179.597 176.870 0.028 0.000 1.083 315 L CA 1.654 56.512 54.840 0.031 0.000 0.752 315 L CB -0.714 41.361 42.059 0.027 0.000 0.899 315 L HN 0.628 nan 8.230 nan 0.000 0.433 316 H N 0.300 119.316 119.070 -0.090 0.000 2.389 316 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 316 H C 2.098 177.419 175.328 -0.011 0.000 1.081 316 H CA 1.299 57.302 56.048 -0.075 0.000 1.345 316 H CB 0.413 30.119 29.762 -0.093 0.000 1.393 316 H HN 0.339 nan 8.280 nan 0.000 0.520 317 A N 0.705 123.529 122.820 0.007 0.000 2.070 317 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 317 A C 2.103 179.650 177.584 -0.060 0.000 1.159 317 A CA 1.148 53.164 52.037 -0.035 0.000 0.656 317 A CB -0.290 18.731 19.000 0.034 0.000 0.800 317 A HN 0.576 nan 8.150 nan 0.000 0.453 318 Q N -1.306 118.468 119.800 -0.044 0.000 2.320 318 Q HA 0.266 4.606 4.340 -0.000 0.000 0.201 318 Q C 0.870 176.837 176.000 -0.056 0.000 0.910 318 Q CA 0.225 56.007 55.803 -0.035 0.000 0.946 318 Q CB 0.098 28.830 28.738 -0.010 0.000 1.062 318 Q HN 0.813 nan 8.270 nan 0.000 0.503 319 G N 2.245 110.976 108.800 -0.114 0.000 2.221 319 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.265 319 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.265 319 G C -0.367 174.498 174.900 -0.058 0.000 1.041 319 G CA 0.235 45.264 45.100 -0.120 0.000 0.807 319 G HN 0.383 nan 8.290 nan 0.000 0.502 320 D N 0.552 120.932 120.400 -0.034 0.000 2.412 320 D HA 0.230 4.870 4.640 -0.000 0.000 0.257 320 D C 0.259 176.577 176.300 0.030 0.000 1.217 320 D CA -1.136 52.868 54.000 0.006 0.000 0.897 320 D CB 1.129 41.940 40.800 0.017 0.000 1.132 320 D HN 0.266 nan 8.370 nan 0.000 0.493 321 P HA 0.028 nan 4.420 nan 0.000 0.230 321 P C 0.677 178.006 177.300 0.049 0.000 1.168 321 P CA 0.215 63.339 63.100 0.040 0.000 0.793 321 P CB 0.352 32.068 31.700 0.025 0.000 0.851 322 A N -0.080 122.768 122.820 0.046 0.000 2.238 322 A HA 0.147 4.467 4.320 -0.000 0.000 0.208 322 A C 1.229 178.853 177.584 0.067 0.000 1.177 322 A CA -0.127 51.939 52.037 0.049 0.000 0.804 322 A CB -0.931 18.095 19.000 0.043 0.000 0.823 322 A HN 0.148 nan 8.150 nan 0.000 0.482 323 L N 1.170 122.442 121.223 0.082 0.000 2.455 323 L HA 0.086 4.426 4.340 -0.000 0.000 0.272 323 L C 1.137 178.100 176.870 0.156 0.000 1.174 323 L CA -0.284 54.628 54.840 0.120 0.000 0.869 323 L CB 0.841 42.930 42.059 0.050 0.000 1.130 323 L HN 0.333 nan 8.230 nan 0.000 0.474 324 S N 3.418 119.220 115.700 0.170 0.000 2.573 324 S HA 0.096 4.565 4.470 -0.000 0.000 0.277 324 S C 0.756 175.382 174.600 0.044 0.000 1.346 324 S CA -0.273 57.956 58.200 0.048 0.000 1.034 324 S CB 0.574 63.755 63.200 -0.032 0.000 0.879 324 S HN 0.597 nan 8.310 nan 0.000 0.528 325 M N 3.112 122.614 119.600 -0.164 0.000 2.412 325 M HA 0.176 4.656 4.480 -0.000 0.000 0.315 325 M C 0.985 176.899 176.300 -0.642 0.000 1.092 325 M CA 0.169 55.368 55.300 -0.168 0.000 0.974 325 M CB -0.304 32.269 32.600 -0.045 0.000 1.437 325 M HN 0.859 nan 8.290 nan 0.000 0.524 326 S N -2.066 112.888 115.700 -1.242 0.000 2.661 326 S HA 0.242 4.711 4.470 -0.000 0.000 0.275 326 S C 0.126 173.501 174.600 -2.043 0.000 1.075 326 S CA -0.347 56.919 58.200 -1.557 0.000 1.251 326 S CB 0.622 63.147 63.200 -1.125 0.000 1.167 326 S HN 0.471 nan 8.310 nan 0.000 0.648 327 H N -1.290 116.862 119.070 -1.530 0.000 2.985 327 H HA 0.595 5.151 4.556 -0.000 0.000 0.360 327 H C -1.498 173.566 175.328 -0.440 0.000 1.221 327 H CA -0.861 54.672 56.048 -0.859 0.000 1.121 327 H CB 0.843 30.336 29.762 -0.449 0.000 1.854 327 H HN 0.298 nan 8.280 nan 0.000 0.551 328 W N 1.071 122.460 121.300 0.148 0.000 2.332 328 W HA 0.327 4.987 4.660 -0.000 0.000 0.351 328 W C 0.427 177.034 176.519 0.147 0.000 1.195 328 W CA -0.827 56.655 57.345 0.228 0.000 1.334 328 W CB 0.704 30.334 29.460 0.284 0.000 1.206 328 W HN 0.324 nan 8.180 nan 0.000 0.637 329 M N 3.354 123.288 119.600 0.556 0.000 3.700 329 M HA 0.145 4.624 4.480 -0.000 0.000 0.190 329 M C -1.121 175.440 176.300 0.435 0.000 1.422 329 M CA 0.386 55.910 55.300 0.373 0.000 1.646 329 M CB -0.966 31.823 32.600 0.316 0.000 1.154 329 M HN 0.306 nan 8.290 nan 0.000 0.506 330 F N -3.653 116.444 119.950 0.245 0.000 2.668 330 F HA 0.390 4.917 4.527 -0.000 0.000 0.309 330 F C -0.620 175.277 175.800 0.162 0.000 1.117 330 F CA -1.323 56.816 58.000 0.232 0.000 0.951 330 F CB 0.836 40.070 39.000 0.390 0.000 1.323 330 F HN -0.073 nan 8.300 nan 0.000 0.451 331 H N 3.256 122.376 119.070 0.084 0.000 3.291 331 H HA 0.149 4.705 4.556 -0.000 0.000 0.256 331 H C 0.670 175.914 175.328 -0.141 0.000 1.315 331 H CA 0.880 56.842 56.048 -0.143 0.000 1.521 331 H CB 0.848 30.499 29.762 -0.184 0.000 1.621 331 H HN 0.882 nan 8.280 nan 0.000 0.498 332 Q N 2.470 122.067 119.800 -0.337 0.000 2.096 332 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 332 Q C 2.181 178.219 176.000 0.065 0.000 0.982 332 Q CA 1.543 57.227 55.803 -0.198 0.000 0.850 332 Q CB 0.143 28.733 28.738 -0.247 0.000 0.901 332 Q HN 0.700 nan 8.270 nan 0.000 0.422 333 Q N 0.237 120.059 119.800 0.036 0.000 2.030 333 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 333 Q C 2.069 178.127 176.000 0.096 0.000 0.986 333 Q CA 1.556 57.398 55.803 0.065 0.000 0.843 333 Q CB -0.196 28.558 28.738 0.028 0.000 0.904 333 Q HN 0.403 nan 8.270 nan 0.000 0.420 334 A N 0.759 123.634 122.820 0.091 0.000 1.933 334 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 334 A C 1.989 179.653 177.584 0.133 0.000 1.175 334 A CA 1.382 53.373 52.037 -0.077 0.000 0.628 334 A CB -0.726 17.988 19.000 -0.477 0.000 0.814 334 A HN 0.491 nan 8.150 nan 0.000 0.444 335 L N -0.123 121.250 121.223 0.249 0.000 2.017 335 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 335 L C 2.480 179.531 176.870 0.302 0.000 1.073 335 L CA 2.353 57.406 54.840 0.356 0.000 0.745 335 L CB -0.797 41.595 42.059 0.554 0.000 0.894 335 L HN 0.508 nan 8.230 nan 0.000 0.432 336 Q N -0.602 119.333 119.800 0.226 0.000 2.135 336 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 336 Q C 2.084 178.154 176.000 0.116 0.000 0.981 336 Q CA 2.035 57.927 55.803 0.148 0.000 0.856 336 Q CB -0.196 28.599 28.738 0.094 0.000 0.902 336 Q HN 0.656 nan 8.270 nan 0.000 0.425 337 E N -0.190 120.077 120.200 0.112 0.000 2.072 337 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 337 E C 1.733 178.430 176.600 0.161 0.000 0.985 337 E CA 0.973 57.424 56.400 0.085 0.000 0.801 337 E CB -0.175 29.533 29.700 0.013 0.000 0.750 337 E HN 0.338 nan 8.360 nan 0.000 0.452 338 Y N 1.636 122.016 120.300 0.134 0.000 2.097 338 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 338 Y C 1.939 177.911 175.900 0.121 0.000 1.152 338 Y CA 1.528 59.726 58.100 0.163 0.000 1.136 338 Y CB -0.267 38.281 38.460 0.146 0.000 0.975 338 Y HN -0.061 nan 8.280 nan 0.000 0.498 339 I N -0.402 120.158 120.570 -0.016 0.000 2.142 339 I HA -0.344 3.826 4.170 -0.000 0.000 0.240 339 I C 2.421 178.480 176.117 -0.097 0.000 1.078 339 I CA 1.562 62.805 61.300 -0.096 0.000 1.343 339 I CB -0.602 37.434 38.000 0.059 0.000 1.046 339 I HN 0.235 nan 8.210 nan 0.000 0.405 340 L N -0.275 120.941 121.223 -0.012 0.000 2.046 340 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 340 L C 2.616 179.492 176.870 0.009 0.000 1.077 340 L CA 1.563 56.410 54.840 0.011 0.000 0.747 340 L CB -0.356 41.722 42.059 0.031 0.000 0.896 340 L HN 0.290 nan 8.230 nan 0.000 0.432 341 M N -2.013 117.599 119.600 0.020 0.000 2.334 341 M HA -0.098 4.382 4.480 -0.000 0.000 0.266 341 M C 1.872 178.147 176.300 -0.042 0.000 1.082 341 M CA 0.983 56.323 55.300 0.067 0.000 1.141 341 M CB -0.023 32.706 32.600 0.213 0.000 1.380 341 M HN 0.368 nan 8.290 nan 0.000 0.440 342 C N -1.741 117.436 119.300 -0.204 0.000 3.230 342 C HA 0.165 4.624 4.460 -0.000 0.000 0.300 342 C C 1.940 176.732 174.990 -0.331 0.000 1.292 342 C CA -0.530 58.298 59.018 -0.316 0.000 1.707 342 C CB -0.466 26.976 27.740 -0.496 0.000 2.181 342 C HN 0.573 nan 8.230 nan 0.000 0.655 343 C N 0.856 119.963 119.300 -0.321 0.000 2.974 343 C HA 0.191 4.651 4.460 -0.000 0.000 0.282 343 C C 0.697 175.604 174.990 -0.138 0.000 1.292 343 C CA -0.168 58.712 59.018 -0.229 0.000 1.710 343 C CB -1.581 26.025 27.740 -0.222 0.000 2.036 343 C HN 0.606 nan 8.230 nan 0.000 0.629 344 Q N 0.320 120.065 119.800 -0.092 0.000 2.241 344 Q HA 0.347 4.687 4.340 -0.000 0.000 0.254 344 Q C -0.461 175.519 176.000 -0.034 0.000 0.917 344 Q CA -0.055 55.738 55.803 -0.016 0.000 0.919 344 Q CB 1.786 30.567 28.738 0.072 0.000 1.237 344 Q HN 0.458 nan 8.270 nan 0.000 0.434 345 C N 4.159 123.439 119.300 -0.033 0.000 2.369 345 C HA 0.322 4.782 4.460 -0.000 0.000 0.358 345 C C -1.305 173.654 174.990 -0.052 0.000 1.274 345 C CA -1.871 57.098 59.018 -0.081 0.000 1.935 345 C CB 0.136 27.777 27.740 -0.165 0.000 2.431 345 C HN 0.732 nan 8.230 nan 0.000 0.545 346 P HA -0.063 nan 4.420 nan 0.000 0.216 346 P C 1.136 178.395 177.300 -0.068 0.000 1.150 346 P CA 1.923 64.987 63.100 -0.060 0.000 0.837 346 P CB 0.084 31.751 31.700 -0.055 0.000 0.786 347 A N -1.269 121.506 122.820 -0.075 0.000 2.206 347 A HA 0.460 4.780 4.320 -0.000 0.000 0.211 347 A C 1.051 178.593 177.584 -0.070 0.000 1.158 347 A CA 0.901 52.899 52.037 -0.066 0.000 0.761 347 A CB -0.895 18.068 19.000 -0.061 0.000 0.801 347 A HN 0.328 nan 8.150 nan 0.000 0.473 348 G N -2.970 105.773 108.800 -0.095 0.000 2.525 348 G HA2 0.545 4.505 3.960 -0.000 0.000 0.685 348 G HA3 0.545 4.505 3.960 -0.000 0.000 0.685 348 G C 0.317 175.045 174.900 -0.286 0.000 1.285 348 G CA -0.196 44.889 45.100 -0.025 0.000 0.849 348 G HN 2.380 nan 8.290 nan 0.000 0.653 349 G N -1.226 107.548 108.800 -0.044 0.000 2.690 349 G HA2 0.356 4.316 3.960 -0.000 0.000 0.686 349 G HA3 0.356 4.316 3.960 -0.000 0.000 0.686 349 G C -0.613 174.118 174.900 -0.282 0.000 1.277 349 G CA 0.099 44.928 45.100 -0.451 0.000 0.799 349 G HN 1.632 nan 8.290 nan 0.000 0.613 350 L N 0.129 121.205 121.223 -0.246 0.000 2.286 350 L HA 0.970 5.310 4.340 -0.000 0.000 0.265 350 L C 0.511 177.305 176.870 -0.127 0.000 1.012 350 L CA -0.986 53.741 54.840 -0.188 0.000 0.818 350 L CB 1.877 43.813 42.059 -0.205 0.000 1.337 350 L HN 1.003 nan 8.230 nan 0.000 0.438 351 L N -3.238 117.905 121.223 -0.133 0.000 2.389 351 L HA 0.702 5.042 4.340 -0.000 0.000 0.249 351 L C 0.297 177.005 176.870 -0.270 0.000 1.083 351 L CA -0.707 54.003 54.840 -0.217 0.000 0.876 351 L CB 0.582 42.515 42.059 -0.209 0.000 1.489 351 L HN 0.433 nan 8.230 nan 0.000 0.412 352 D N 0.043 120.122 120.400 -0.535 0.000 2.075 352 D HA -0.052 4.587 4.640 -0.000 0.000 0.196 352 D C 0.031 176.319 176.300 -0.020 0.000 0.985 352 D CA 2.229 56.028 54.000 -0.336 0.000 0.834 352 D CB 0.330 40.884 40.800 -0.411 0.000 0.987 352 D HN 0.709 nan 8.370 nan 0.000 0.452 353 K N -2.020 118.354 120.400 -0.043 0.000 2.578 353 K HA 0.519 4.838 4.320 -0.000 0.000 0.287 353 K C -3.011 173.566 176.600 -0.038 0.000 1.010 353 K CA -1.736 54.575 56.287 0.040 0.000 0.889 353 K CB 1.328 33.905 32.500 0.128 0.000 1.514 353 K HN -0.308 nan 8.250 nan 0.000 0.424 354 P HA 0.017 nan 4.420 nan 0.000 0.261 354 P C 0.439 177.713 177.300 -0.043 0.000 1.183 354 P CA 1.789 64.852 63.100 -0.061 0.000 0.761 354 P CB 0.528 32.191 31.700 -0.062 0.000 0.785 355 G N 1.975 110.743 108.800 -0.053 0.000 2.259 355 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 355 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 355 G C 0.092 174.962 174.900 -0.050 0.000 1.001 355 G CA -0.381 44.694 45.100 -0.043 0.000 0.627 355 G HN 0.439 nan 8.290 nan 0.000 0.501 356 K N 1.766 122.125 120.400 -0.068 0.000 2.144 356 K HA 0.634 4.954 4.320 -0.000 0.000 0.270 356 K C 0.763 177.302 176.600 -0.102 0.000 1.005 356 K CA 0.184 56.419 56.287 -0.087 0.000 0.932 356 K CB 1.418 33.841 32.500 -0.127 0.000 1.021 356 K HN 0.628 nan 8.250 nan 0.000 0.462 357 S N 1.535 117.180 115.700 -0.091 0.000 2.586 357 S HA 0.343 4.813 4.470 -0.000 0.000 0.274 357 S C 0.290 174.829 174.600 -0.102 0.000 1.281 357 S CA -0.918 57.231 58.200 -0.086 0.000 1.035 357 S CB 0.975 64.141 63.200 -0.057 0.000 0.962 357 S HN 0.564 nan 8.310 nan 0.000 0.512 358 R N 0.735 121.165 120.500 -0.117 0.000 2.738 358 R HA 0.445 4.785 4.340 -0.000 0.000 0.268 358 R C -0.960 175.328 176.300 -0.020 0.000 1.062 358 R CA -0.201 55.818 56.100 -0.134 0.000 1.158 358 R CB -0.361 29.759 30.300 -0.300 0.000 1.046 358 R HN 0.879 nan 8.270 nan 0.000 0.493 359 D N -0.258 120.169 120.400 0.045 0.000 2.648 359 D HA 0.110 4.750 4.640 -0.000 0.000 0.244 359 D C -0.388 175.962 176.300 0.083 0.000 1.244 359 D CA -0.822 53.272 54.000 0.157 0.000 0.772 359 D CB 0.154 41.095 40.800 0.234 0.000 1.379 359 D HN 0.375 nan 8.370 nan 0.000 0.428 360 F N -0.438 119.709 119.950 0.330 0.000 2.269 360 F HA -0.071 4.456 4.527 -0.000 0.000 0.301 360 F C 1.891 177.600 175.800 -0.153 0.000 1.082 360 F CA 0.748 58.824 58.000 0.126 0.000 1.360 360 F CB -0.357 38.719 39.000 0.128 0.000 1.041 360 F HN 0.497 nan 8.300 nan 0.000 0.512 361 Y N 0.349 120.390 120.300 -0.431 0.000 2.163 361 Y HA -0.241 4.309 4.550 -0.000 0.000 0.288 361 Y C 2.392 177.977 175.900 -0.525 0.000 1.136 361 Y CA 1.926 59.363 58.100 -1.105 0.000 1.147 361 Y CB -0.931 36.850 38.460 -1.131 0.000 0.987 361 Y HN 0.050 nan 8.280 nan 0.000 0.509 362 H N -1.083 117.799 119.070 -0.314 0.000 2.462 362 H HA -0.065 4.491 4.556 -0.000 0.000 0.292 362 H C 2.141 177.310 175.328 -0.266 0.000 1.049 362 H CA 1.821 57.683 56.048 -0.310 0.000 1.334 362 H CB -0.167 29.520 29.762 -0.124 0.000 1.404 362 H HN 0.307 nan 8.280 nan 0.000 0.544 363 T N -0.574 113.920 114.554 -0.100 0.000 2.708 363 T HA -0.235 4.115 4.350 -0.000 0.000 0.266 363 T C 2.343 176.915 174.700 -0.213 0.000 1.037 363 T CA 1.333 63.364 62.100 -0.115 0.000 1.146 363 T CB -0.684 68.206 68.868 0.037 0.000 0.865 363 T HN 0.566 nan 8.240 nan 0.000 0.435 364 C N 0.585 119.695 119.300 -0.316 0.000 2.432 364 C HA -0.083 4.377 4.460 -0.000 0.000 0.277 364 C C 2.353 176.959 174.990 -0.641 0.000 1.249 364 C CA 0.468 59.199 59.018 -0.478 0.000 1.725 364 C CB -1.456 25.925 27.740 -0.599 0.000 2.028 364 C HN 0.651 nan 8.230 nan 0.000 0.477 365 Y N -0.255 119.769 120.300 -0.461 0.000 2.395 365 Y HA -0.021 4.529 4.550 -0.000 0.000 0.293 365 Y C 2.863 178.601 175.900 -0.269 0.000 1.123 365 Y CA 1.326 59.133 58.100 -0.488 0.000 1.227 365 Y CB -0.538 37.449 38.460 -0.789 0.000 1.012 365 Y HN 0.382 nan 8.280 nan 0.000 0.552 366 C N -0.109 119.125 119.300 -0.110 0.000 2.446 366 C HA -0.129 4.331 4.460 -0.000 0.000 0.277 366 C C 2.668 177.633 174.990 -0.043 0.000 1.275 366 C CA 0.812 59.809 59.018 -0.035 0.000 1.727 366 C CB -1.177 26.535 27.740 -0.046 0.000 2.010 366 C HN 0.522 nan 8.230 nan 0.000 0.486 367 L N 0.484 121.640 121.223 -0.112 0.000 2.056 367 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 367 L C 2.664 179.502 176.870 -0.053 0.000 1.078 367 L CA 1.408 56.189 54.840 -0.098 0.000 0.749 367 L CB -0.729 41.233 42.059 -0.161 0.000 0.901 367 L HN 0.310 nan 8.230 nan 0.000 0.433 368 S N 0.130 115.783 115.700 -0.078 0.000 2.370 368 S HA -0.150 4.320 4.470 -0.000 0.000 0.226 368 S C 2.011 176.725 174.600 0.190 0.000 1.033 368 S CA 1.349 59.576 58.200 0.045 0.000 1.011 368 S CB -0.639 62.499 63.200 -0.103 0.000 0.852 368 S HN 0.617 nan 8.310 nan 0.000 0.457 369 G N 1.485 110.382 108.800 0.162 0.000 2.402 369 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 369 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 369 G C 1.384 176.376 174.900 0.154 0.000 1.162 369 G CA 0.762 45.948 45.100 0.144 0.000 0.777 369 G HN 0.401 nan 8.290 nan 0.000 0.539 370 L N 1.128 122.421 121.223 0.117 0.000 2.012 370 L HA -0.016 4.324 4.340 -0.000 0.000 0.210 370 L C 2.905 179.830 176.870 0.092 0.000 1.073 370 L CA 2.497 57.400 54.840 0.105 0.000 0.748 370 L CB -0.877 41.215 42.059 0.055 0.000 0.891 370 L HN 0.233 nan 8.230 nan 0.000 0.431 371 S N -0.719 115.037 115.700 0.093 0.000 2.359 371 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 371 S C 2.065 176.776 174.600 0.185 0.000 1.035 371 S CA 1.497 59.764 58.200 0.111 0.000 1.018 371 S CB -0.346 62.963 63.200 0.183 0.000 0.876 371 S HN 0.427 nan 8.310 nan 0.000 0.448 372 I N 2.018 122.736 120.570 0.246 0.000 2.163 372 I HA -0.180 3.990 4.170 -0.000 0.000 0.243 372 I C 2.825 179.225 176.117 0.471 0.000 1.085 372 I CA 1.597 63.082 61.300 0.308 0.000 1.347 372 I CB -1.817 36.276 38.000 0.154 0.000 1.044 372 I HN 0.400 nan 8.210 nan 0.000 0.408 373 A N -0.027 123.048 122.820 0.425 0.000 2.015 373 A HA -0.205 4.114 4.320 -0.000 0.000 0.219 373 A C 2.215 179.913 177.584 0.190 0.000 1.163 373 A CA 1.288 53.589 52.037 0.439 0.000 0.646 373 A CB -0.470 18.776 19.000 0.409 0.000 0.806 373 A HN 0.551 nan 8.150 nan 0.000 0.448 374 Q N -1.053 118.761 119.800 0.023 0.000 2.212 374 Q HA 0.011 4.351 4.340 -0.000 0.000 0.199 374 Q C -0.231 175.619 176.000 -0.250 0.000 0.950 374 Q CA 0.541 56.213 55.803 -0.218 0.000 0.863 374 Q CB 0.161 28.610 28.738 -0.481 0.000 0.944 374 Q HN 0.716 nan 8.270 nan 0.000 0.465 375 H N -0.794 118.397 119.070 0.203 0.000 2.539 375 H HA 0.260 4.816 4.556 -0.000 0.000 0.332 375 H C -1.524 173.955 175.328 0.252 0.000 1.031 375 H CA -0.723 55.428 56.048 0.171 0.000 1.206 375 H CB 0.708 30.565 29.762 0.159 0.000 1.446 375 H HN 0.026 nan 8.280 nan 0.000 0.496 376 F N 1.955 121.860 119.950 -0.076 0.000 2.482 376 F HA 0.625 5.152 4.527 -0.000 0.000 0.331 376 F C -0.348 175.249 175.800 -0.338 0.000 1.115 376 F CA -0.405 57.227 58.000 -0.613 0.000 0.955 376 F CB 1.764 40.185 39.000 -0.966 0.000 1.136 376 F HN 0.579 nan 8.300 nan 0.000 0.452 377 G N 2.272 110.339 108.800 -1.222 0.000 2.731 377 G HA2 0.467 4.427 3.960 -0.000 0.000 0.298 377 G HA3 0.467 4.427 3.960 -0.000 0.000 0.298 377 G C -1.721 172.687 174.900 -0.820 0.000 1.424 377 G CA -0.788 43.904 45.100 -0.679 0.000 1.029 377 G HN 0.690 nan 8.290 nan 0.000 0.518 378 S N 1.099 116.520 115.700 -0.465 0.000 2.440 378 S HA 0.555 5.025 4.470 -0.000 0.000 0.142 378 S C 0.919 175.460 174.600 -0.098 0.000 1.578 378 S CA 0.893 58.934 58.200 -0.266 0.000 1.260 378 S CB -0.584 62.514 63.200 -0.170 0.000 1.407 378 S HN 2.502 nan 8.310 nan 0.000 0.392 379 G N 2.997 111.767 108.800 -0.050 0.000 2.559 379 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.282 379 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.282 379 G C 1.149 176.054 174.900 0.009 0.000 1.177 379 G CA 0.162 45.269 45.100 0.012 0.000 0.960 379 G HN 1.487 nan 8.290 nan 0.000 0.540 380 A N 0.015 122.852 122.820 0.027 0.000 1.968 380 A HA 0.397 4.717 4.320 -0.000 0.000 0.217 380 A C 1.626 179.225 177.584 0.024 0.000 1.169 380 A CA 1.981 54.033 52.037 0.026 0.000 0.638 380 A CB -0.368 18.652 19.000 0.033 0.000 0.812 380 A HN 0.745 nan 8.150 nan 0.000 0.446 381 M N 0.483 120.104 119.600 0.035 0.000 2.238 381 M HA 0.410 4.890 4.480 -0.000 0.000 0.350 381 M C -0.789 175.554 176.300 0.072 0.000 1.321 381 M CA 0.721 56.060 55.300 0.065 0.000 1.097 381 M CB -0.302 32.374 32.600 0.126 0.000 1.713 381 M HN 0.158 nan 8.290 nan 0.000 0.455 382 L N 2.968 124.247 121.223 0.093 0.000 2.482 382 L HA 0.468 4.808 4.340 -0.000 0.000 0.263 382 L C -1.138 175.830 176.870 0.164 0.000 0.957 382 L CA -0.568 54.334 54.840 0.103 0.000 0.836 382 L CB 2.399 44.480 42.059 0.037 0.000 1.324 382 L HN 0.750 nan 8.230 nan 0.000 0.406 383 H N 1.206 120.307 119.070 0.052 0.000 3.149 383 H HA 0.429 4.985 4.556 -0.000 0.000 0.334 383 H C -1.700 173.602 175.328 -0.043 0.000 1.000 383 H CA -0.484 55.521 56.048 -0.072 0.000 1.415 383 H CB 1.494 31.081 29.762 -0.292 0.000 1.819 383 H HN 0.450 nan 8.280 nan 0.000 0.486 384 D N 2.903 123.013 120.400 -0.483 0.000 2.277 384 D HA 0.495 5.135 4.640 -0.000 0.000 0.250 384 D C -0.541 175.453 176.300 -0.511 0.000 1.032 384 D CA -0.404 53.403 54.000 -0.323 0.000 0.947 384 D CB 2.259 43.013 40.800 -0.077 0.000 1.159 384 D HN 0.235 nan 8.370 nan 0.000 0.460 385 V N 1.649 121.402 119.914 -0.269 0.000 2.498 385 V HA 0.189 4.309 4.120 -0.000 0.000 0.283 385 V C -0.695 175.329 176.094 -0.116 0.000 1.015 385 V CA -0.701 61.493 62.300 -0.177 0.000 0.867 385 V CB 1.831 33.597 31.823 -0.095 0.000 1.025 385 V HN 0.283 nan 8.190 nan 0.000 0.441 386 V N 5.712 125.569 119.914 -0.094 0.000 2.275 386 V HA 0.416 4.536 4.120 -0.000 0.000 0.272 386 V C 0.376 176.442 176.094 -0.046 0.000 1.028 386 V CA -0.484 61.776 62.300 -0.068 0.000 0.810 386 V CB 1.307 33.098 31.823 -0.054 0.000 1.043 386 V HN 0.702 nan 8.190 nan 0.000 0.453 387 M N 3.037 122.616 119.600 -0.034 0.000 2.248 387 M HA 0.436 4.916 4.480 -0.000 0.000 0.337 387 M C 1.118 177.400 176.300 -0.029 0.000 1.121 387 M CA 1.149 56.431 55.300 -0.030 0.000 1.155 387 M CB 0.231 32.821 32.600 -0.016 0.000 1.514 387 M HN 0.924 nan 8.290 nan 0.000 0.452 388 G N 1.157 109.933 108.800 -0.040 0.000 2.645 388 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.239 388 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.239 388 G C -0.280 174.601 174.900 -0.032 0.000 1.331 388 G CA -0.322 44.754 45.100 -0.039 0.000 0.890 388 G HN 1.263 nan 8.290 nan 0.000 0.572 389 V N -0.891 119.008 119.914 -0.025 0.000 2.694 389 V HA 0.413 4.533 4.120 -0.000 0.000 0.306 389 V C 0.121 176.205 176.094 -0.017 0.000 1.054 389 V CA 0.240 62.528 62.300 -0.021 0.000 1.161 389 V CB 0.884 32.697 31.823 -0.017 0.000 0.916 389 V HN 0.830 nan 8.190 nan 0.000 0.490 390 P HA -0.165 nan 4.420 nan 0.000 0.220 390 P C 0.954 178.250 177.300 -0.005 0.000 1.144 390 P CA 1.508 64.600 63.100 -0.013 0.000 0.800 390 P CB 0.290 31.981 31.700 -0.014 0.000 0.772 391 E N -0.469 119.728 120.200 -0.006 0.000 2.478 391 E HA -0.074 4.276 4.350 -0.000 0.000 0.198 391 E C 1.635 178.238 176.600 0.006 0.000 1.046 391 E CA 0.336 56.734 56.400 -0.002 0.000 0.870 391 E CB -0.874 28.821 29.700 -0.008 0.000 0.818 391 E HN 0.250 nan 8.360 nan 0.000 0.527 392 N N 0.185 118.887 118.700 0.005 0.000 2.453 392 N HA -0.074 4.666 4.740 -0.000 0.000 0.183 392 N C 0.292 175.811 175.510 0.015 0.000 1.041 392 N CA 0.200 53.257 53.050 0.012 0.000 0.900 392 N CB -0.039 38.451 38.487 0.005 0.000 0.961 392 N HN 0.094 nan 8.380 nan 0.000 0.443 393 V N 1.777 121.700 119.914 0.015 0.000 2.694 393 V HA 0.007 4.127 4.120 -0.000 0.000 0.306 393 V C 0.135 176.271 176.094 0.070 0.000 1.054 393 V CA 0.137 62.457 62.300 0.035 0.000 1.161 393 V CB 0.067 31.930 31.823 0.066 0.000 0.916 393 V HN 0.027 nan 8.190 nan 0.000 0.490 394 L N 5.380 126.668 121.223 0.108 0.000 2.304 394 L HA 0.556 4.896 4.340 -0.000 0.000 0.268 394 L C -0.066 176.945 176.870 0.234 0.000 1.010 394 L CA -1.035 53.879 54.840 0.124 0.000 0.813 394 L CB 1.511 43.618 42.059 0.080 0.000 1.315 394 L HN 0.476 nan 8.230 nan 0.000 0.445 395 Q N 1.893 121.769 119.800 0.128 0.000 2.373 395 Q HA 0.256 4.596 4.340 -0.000 0.000 0.255 395 Q C -2.247 173.840 176.000 0.145 0.000 0.980 395 Q CA -1.616 54.243 55.803 0.093 0.000 0.882 395 Q CB 0.537 29.299 28.738 0.041 0.000 1.249 395 Q HN 0.243 nan 8.270 nan 0.000 0.438 396 P HA 0.050 nan 4.420 nan 0.000 0.272 396 P C -0.481 176.935 177.300 0.193 0.000 1.223 396 P CA -0.110 63.068 63.100 0.130 0.000 0.784 396 P CB 0.854 32.517 31.700 -0.063 0.000 0.923 397 T N 0.447 115.157 114.554 0.261 0.000 2.876 397 T HA 0.179 4.529 4.350 -0.000 0.000 0.289 397 T C -0.668 174.229 174.700 0.328 0.000 1.014 397 T CA -0.498 61.794 62.100 0.320 0.000 0.986 397 T CB 0.301 69.391 68.868 0.370 0.000 1.021 397 T HN 0.377 nan 8.240 nan 0.000 0.458 398 H N 6.180 125.419 119.070 0.281 0.000 2.848 398 H HA 0.202 4.758 4.556 -0.000 0.000 0.317 398 H C -1.567 173.967 175.328 0.343 0.000 1.046 398 H CA -1.572 54.652 56.048 0.294 0.000 1.470 398 H CB 1.816 31.785 29.762 0.344 0.000 1.483 398 H HN 0.440 nan 8.280 nan 0.000 0.548 399 P HA -0.120 nan 4.420 nan 0.000 0.225 399 P C 1.212 178.794 177.300 0.470 0.000 1.148 399 P CA 0.532 63.791 63.100 0.265 0.000 0.779 399 P CB 0.618 32.308 31.700 -0.016 0.000 0.780 400 V N -1.702 118.547 119.914 0.558 0.000 2.492 400 V HA -0.082 4.037 4.120 -0.000 0.000 0.241 400 V C 2.152 178.476 176.094 0.383 0.000 1.041 400 V CA 1.437 63.933 62.300 0.326 0.000 1.057 400 V CB -1.046 30.775 31.823 -0.004 0.000 0.711 400 V HN -0.032 nan 8.190 nan 0.000 0.468 401 Y N -0.664 119.993 120.300 0.595 0.000 2.497 401 Y HA 0.272 4.822 4.550 -0.000 0.000 0.265 401 Y C 1.392 177.512 175.900 0.367 0.000 1.111 401 Y CA 0.230 58.584 58.100 0.423 0.000 1.288 401 Y CB 0.066 38.583 38.460 0.096 0.000 1.082 401 Y HN 0.351 nan 8.280 nan 0.000 0.536 402 N N 1.118 120.122 118.700 0.507 0.000 2.738 402 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 402 N C -0.891 174.553 175.510 -0.111 0.000 1.047 402 N CA 0.984 54.133 53.050 0.165 0.000 0.707 402 N CB -1.476 36.894 38.487 -0.196 0.000 0.937 402 N HN 0.641 nan 8.380 nan 0.000 0.545 403 I N -4.387 116.278 120.570 0.159 0.000 3.174 403 I HA 0.741 4.910 4.170 -0.000 0.000 0.313 403 I C 0.993 177.275 176.117 0.275 0.000 1.155 403 I CA -1.036 60.359 61.300 0.158 0.000 0.977 403 I CB 1.529 39.589 38.000 0.100 0.000 1.248 403 I HN -0.001 nan 8.210 nan 0.000 0.453 404 G N 2.303 111.251 108.800 0.246 0.000 2.321 404 G HA2 0.269 4.229 3.960 -0.000 0.000 0.237 404 G HA3 0.269 4.229 3.960 -0.000 0.000 0.237 404 G C -1.960 173.057 174.900 0.195 0.000 1.282 404 G CA -0.679 44.543 45.100 0.204 0.000 0.886 404 G HN 0.602 nan 8.290 nan 0.000 0.528 405 P HA -0.141 nan 4.420 nan 0.000 0.217 405 P C 1.625 179.019 177.300 0.156 0.000 1.148 405 P CA 1.546 64.804 63.100 0.263 0.000 0.828 405 P CB 0.205 32.036 31.700 0.218 0.000 0.783 406 D N -0.531 119.935 120.400 0.109 0.000 2.144 406 D HA -0.168 4.472 4.640 -0.000 0.000 0.200 406 D C 1.405 177.742 176.300 0.062 0.000 0.978 406 D CA 1.194 55.238 54.000 0.074 0.000 0.833 406 D CB -0.552 40.281 40.800 0.056 0.000 0.961 406 D HN 0.100 nan 8.370 nan 0.000 0.470 407 K N 0.818 121.257 120.400 0.065 0.000 2.097 407 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 407 K C 2.490 179.096 176.600 0.010 0.000 1.050 407 K CA 0.289 56.607 56.287 0.052 0.000 0.938 407 K CB -0.607 31.926 32.500 0.055 0.000 0.718 407 K HN 0.166 nan 8.250 nan 0.000 0.442 408 V N 2.179 122.072 119.914 -0.035 0.000 2.261 408 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 408 V C 2.420 178.459 176.094 -0.091 0.000 1.047 408 V CA 1.592 63.788 62.300 -0.174 0.000 1.015 408 V CB -0.407 31.260 31.823 -0.261 0.000 0.642 408 V HN 0.180 nan 8.190 nan 0.000 0.446 409 I N -0.391 120.176 120.570 -0.005 0.000 2.163 409 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 409 I C 2.662 178.783 176.117 0.006 0.000 1.085 409 I CA 2.032 63.342 61.300 0.017 0.000 1.347 409 I CB -0.453 37.576 38.000 0.048 0.000 1.044 409 I HN 0.417 nan 8.210 nan 0.000 0.408 410 Q N 0.966 120.779 119.800 0.022 0.000 2.050 410 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 410 Q C 2.355 178.338 176.000 -0.028 0.000 0.980 410 Q CA 2.114 57.936 55.803 0.033 0.000 0.840 410 Q CB -0.108 28.683 28.738 0.087 0.000 0.898 410 Q HN 0.543 nan 8.270 nan 0.000 0.424 411 A N 0.400 123.210 122.820 -0.018 0.000 1.858 411 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 411 A C 2.320 179.875 177.584 -0.049 0.000 1.190 411 A CA 2.396 54.351 52.037 -0.136 0.000 0.617 411 A CB -1.459 17.587 19.000 0.077 0.000 0.827 411 A HN 0.701 nan 8.150 nan 0.000 0.443 412 T N -2.916 111.632 114.554 -0.010 0.000 2.684 412 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 412 T C 1.832 176.532 174.700 0.001 0.000 1.036 412 T CA 2.311 64.425 62.100 0.025 0.000 1.148 412 T CB -1.295 67.567 68.868 -0.011 0.000 0.863 412 T HN 0.326 nan 8.240 nan 0.000 0.436 413 T N 0.857 115.391 114.554 -0.033 0.000 2.684 413 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 413 T C 1.728 176.362 174.700 -0.110 0.000 1.036 413 T CA 1.946 64.017 62.100 -0.047 0.000 1.148 413 T CB -0.682 68.169 68.868 -0.028 0.000 0.863 413 T HN 0.800 nan 8.240 nan 0.000 0.436 414 H N 0.176 119.063 119.070 -0.305 0.000 2.353 414 H HA -0.018 4.538 4.556 -0.000 0.000 0.300 414 H C 1.732 176.768 175.328 -0.485 0.000 1.090 414 H CA 1.627 57.382 56.048 -0.489 0.000 1.327 414 H CB -0.529 28.678 29.762 -0.925 0.000 1.383 414 H HN 0.448 nan 8.280 nan 0.000 0.508 415 F N -0.303 119.462 119.950 -0.309 0.000 2.456 415 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 415 F C 2.041 177.716 175.800 -0.209 0.000 1.104 415 F CA 0.213 58.050 58.000 -0.273 0.000 1.435 415 F CB 0.074 38.981 39.000 -0.154 0.000 1.078 415 F HN 0.141 nan 8.300 nan 0.000 0.546 416 L N -0.273 120.933 121.223 -0.029 0.000 2.465 416 L HA -0.157 4.183 4.340 -0.000 0.000 0.224 416 L C 1.935 178.752 176.870 -0.090 0.000 1.145 416 L CA 0.858 55.675 54.840 -0.037 0.000 0.834 416 L CB -0.427 41.616 42.059 -0.027 0.000 0.944 416 L HN 0.242 nan 8.230 nan 0.000 0.451 417 Q N -0.026 119.674 119.800 -0.167 0.000 2.311 417 Q HA -0.021 4.319 4.340 -0.000 0.000 0.203 417 Q C 0.129 176.033 176.000 -0.160 0.000 0.954 417 Q CA 0.686 56.383 55.803 -0.177 0.000 0.885 417 Q CB 0.207 28.793 28.738 -0.254 0.000 0.963 417 Q HN 0.455 nan 8.270 nan 0.000 0.471 418 K N 1.885 122.197 120.400 -0.146 0.000 2.098 418 K HA 0.361 4.681 4.320 -0.000 0.000 0.258 418 K C -2.473 174.074 176.600 -0.089 0.000 0.973 418 K CA -1.982 54.245 56.287 -0.100 0.000 0.898 418 K CB 0.802 33.278 32.500 -0.040 0.000 1.057 418 K HN -0.122 nan 8.250 nan 0.000 0.447 419 P HA 0.079 nan 4.420 nan 0.000 0.281 419 P C -0.214 177.059 177.300 -0.045 0.000 1.249 419 P CA -0.532 62.471 63.100 -0.163 0.000 0.810 419 P CB 0.833 32.274 31.700 -0.431 0.000 1.008 420 V N 4.724 124.632 119.914 -0.009 0.000 2.509 420 V HA -0.029 4.091 4.120 -0.000 0.000 0.297 420 V C -1.776 174.380 176.094 0.104 0.000 1.014 420 V CA -0.571 61.756 62.300 0.044 0.000 1.127 420 V CB -0.954 30.900 31.823 0.052 0.000 0.925 420 V HN 0.595 nan 8.190 nan 0.000 0.480 421 P HA -0.043 nan 4.420 nan 0.000 0.255 421 P C 1.003 178.408 177.300 0.176 0.000 1.132 421 P CA 1.946 65.130 63.100 0.141 0.000 0.766 421 P CB -0.092 31.667 31.700 0.098 0.000 0.715 422 G N 2.195 111.137 108.800 0.236 0.000 2.217 422 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.246 422 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.246 422 G C 0.363 175.427 174.900 0.273 0.000 0.990 422 G CA -0.187 44.999 45.100 0.143 0.000 0.627 422 G HN 0.591 nan 8.290 nan 0.000 0.522 423 F N 0.000 119.961 119.950 0.018 0.000 2.286 423 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 423 F CA 0.000 58.009 58.000 0.015 0.000 1.383 423 F CB 0.000 39.006 39.000 0.010 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574