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 2v42_1_A DATA FIRST_RESID 23 DATA SEQUENCE ATPASGALLQ QMNLASQSLN YELSFISINK QGVESLRYRH ARLDNRPLAQ DATA SEQUENCE LLQMDGPRRE VVQRGNEISY FEPGLEPFTL NGDYIVDSLP SLIYTDFKRL DATA SEQUENCE SPYYDFISVG RTRIADRLCE VIRVVARDGT RYSYIVWMDT ESKLPMRVDL DATA SEQUENCE LDRDGETLEQ FRVIAFNVNQ DISSSMQTLA KANLPPLLSX XXXEKAKFSW DATA SEQUENCE TPTWLPQGFS EVSSSRRPLP TMDNMPIESR LYSDGLFSFS VNVNRATPSS DATA SEQUENCE TDQMLRTGRR TVSTSVRDNA EITIVGELPP QTAKRIAENI KFGA 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 23 A HA 0.000 nan 4.320 nan 0.000 0.244 23 A C 0.000 177.575 177.584 -0.015 0.000 1.274 23 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 23 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 24 T N 1.157 115.701 114.554 -0.018 0.000 2.893 24 T HA 0.707 5.057 4.350 -0.000 0.000 0.293 24 T C -2.832 171.851 174.700 -0.028 0.000 1.027 24 T CA -1.140 60.945 62.100 -0.025 0.000 0.988 24 T CB 0.976 69.828 68.868 -0.027 0.000 1.043 24 T HN 0.252 nan 8.240 nan 0.000 0.461 25 P HA 0.531 nan 4.420 nan 0.000 0.274 25 P C -0.572 176.702 177.300 -0.044 0.000 1.231 25 P CA -0.583 62.493 63.100 -0.040 0.000 0.790 25 P CB 0.202 31.871 31.700 -0.051 0.000 0.951 26 A N 1.651 124.452 122.820 -0.032 0.000 2.577 26 A HA 0.026 4.345 4.320 -0.000 0.000 0.233 26 A C 1.716 179.269 177.584 -0.052 0.000 1.076 26 A CA 0.524 52.547 52.037 -0.024 0.000 0.767 26 A CB -0.450 18.550 19.000 0.000 0.000 1.017 26 A HN 0.550 nan 8.150 nan 0.000 0.511 27 S N 1.214 116.891 115.700 -0.037 0.000 2.399 27 S HA -0.108 4.362 4.470 -0.000 0.000 0.231 27 S C 2.079 176.541 174.600 -0.229 0.000 1.022 27 S CA 1.534 59.674 58.200 -0.099 0.000 0.983 27 S CB -0.414 62.770 63.200 -0.028 0.000 0.803 27 S HN 1.061 nan 8.310 nan 0.000 0.480 28 G N 1.176 109.900 108.800 -0.127 0.000 2.408 28 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.217 28 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.217 28 G C 1.521 176.257 174.900 -0.274 0.000 1.150 28 G CA 0.838 45.765 45.100 -0.289 0.000 0.776 28 G HN 0.566 nan 8.290 nan 0.000 0.542 29 A N 0.934 123.661 122.820 -0.153 0.000 1.873 29 A HA 0.089 4.409 4.320 -0.000 0.000 0.215 29 A C 2.368 179.844 177.584 -0.180 0.000 1.186 29 A CA 1.199 53.159 52.037 -0.128 0.000 0.616 29 A CB -0.388 18.566 19.000 -0.077 0.000 0.823 29 A HN 0.254 nan 8.150 nan 0.000 0.442 30 L N -0.322 120.776 121.223 -0.208 0.000 2.013 30 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 30 L C 2.616 179.281 176.870 -0.340 0.000 1.073 30 L CA 1.725 56.425 54.840 -0.234 0.000 0.753 30 L CB -1.699 40.227 42.059 -0.222 0.000 0.890 30 L HN 0.399 nan 8.230 nan 0.000 0.432 31 L N -0.886 120.003 121.223 -0.556 0.000 2.083 31 L HA -0.247 4.092 4.340 -0.000 0.000 0.209 31 L C 2.767 179.331 176.870 -0.510 0.000 1.083 31 L CA 1.120 55.422 54.840 -0.896 0.000 0.752 31 L CB -0.435 40.479 42.059 -1.910 0.000 0.899 31 L HN 0.380 nan 8.230 nan 0.000 0.433 32 Q N -0.519 119.108 119.800 -0.289 0.000 2.084 32 Q HA -0.255 4.084 4.340 -0.000 0.000 0.202 32 Q C 2.283 178.241 176.000 -0.070 0.000 0.978 32 Q CA 1.492 57.263 55.803 -0.053 0.000 0.844 32 Q CB -0.115 28.593 28.738 -0.050 0.000 0.898 32 Q HN 0.584 nan 8.270 nan 0.000 0.426 33 Q N 0.253 119.981 119.800 -0.119 0.000 2.061 33 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 33 Q C 2.128 178.063 176.000 -0.109 0.000 0.984 33 Q CA 1.593 57.337 55.803 -0.099 0.000 0.846 33 Q CB -0.264 28.410 28.738 -0.107 0.000 0.902 33 Q HN 0.444 nan 8.270 nan 0.000 0.421 34 M N 0.942 120.449 119.600 -0.155 0.000 2.080 34 M HA -0.260 4.220 4.480 -0.000 0.000 0.260 34 M C 1.806 178.024 176.300 -0.137 0.000 1.068 34 M CA 2.121 57.319 55.300 -0.171 0.000 1.109 34 M CB -0.205 32.260 32.600 -0.224 0.000 1.342 34 M HN 0.125 nan 8.290 nan 0.000 0.405 35 N N 0.344 119.001 118.700 -0.072 0.000 2.069 35 N HA -0.230 4.509 4.740 -0.000 0.000 0.191 35 N C 1.613 177.102 175.510 -0.035 0.000 1.031 35 N CA 1.879 54.904 53.050 -0.042 0.000 0.852 35 N CB -0.385 38.121 38.487 0.032 0.000 1.018 35 N HN 0.408 nan 8.380 nan 0.000 0.423 36 L N 0.328 121.536 121.223 -0.026 0.000 2.046 36 L HA 0.101 4.441 4.340 -0.000 0.000 0.208 36 L C 2.151 179.020 176.870 -0.002 0.000 1.077 36 L CA 1.944 56.782 54.840 -0.003 0.000 0.747 36 L CB -1.179 40.877 42.059 -0.006 0.000 0.896 36 L HN 0.273 nan 8.230 nan 0.000 0.432 37 A N -1.554 121.238 122.820 -0.046 0.000 1.933 37 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 37 A C 2.397 179.943 177.584 -0.064 0.000 1.175 37 A CA 1.938 53.938 52.037 -0.060 0.000 0.628 37 A CB -0.928 17.996 19.000 -0.126 0.000 0.814 37 A HN 0.512 nan 8.150 nan 0.000 0.444 38 S N -0.532 115.102 115.700 -0.110 0.000 2.423 38 S HA -0.100 4.369 4.470 -0.000 0.000 0.231 38 S C 1.907 176.493 174.600 -0.023 0.000 1.014 38 S CA 1.213 59.363 58.200 -0.084 0.000 0.965 38 S CB -0.126 62.989 63.200 -0.142 0.000 0.785 38 S HN 0.600 nan 8.310 nan 0.000 0.495 39 Q N 0.177 119.999 119.800 0.037 0.000 2.396 39 Q HA 0.194 4.534 4.340 -0.000 0.000 0.209 39 Q C 1.732 177.902 176.000 0.283 0.000 0.906 39 Q CA 0.684 56.557 55.803 0.116 0.000 0.927 39 Q CB 0.308 29.121 28.738 0.125 0.000 1.069 39 Q HN 0.650 nan 8.270 nan 0.000 0.523 40 S N -1.672 114.174 115.700 0.244 0.000 2.632 40 S HA 0.303 4.772 4.470 -0.000 0.000 0.237 40 S C 0.642 175.390 174.600 0.246 0.000 1.037 40 S CA -0.372 57.963 58.200 0.225 0.000 1.009 40 S CB 0.373 63.649 63.200 0.127 0.000 0.974 40 S HN 0.028 nan 8.310 nan 0.000 0.544 41 L N 2.253 123.681 121.223 0.342 0.000 2.375 41 L HA 0.553 4.893 4.340 -0.000 0.000 0.268 41 L C -0.622 176.520 176.870 0.453 0.000 1.058 41 L CA -1.001 54.049 54.840 0.351 0.000 0.803 41 L CB 0.730 42.976 42.059 0.312 0.000 1.212 41 L HN 0.115 nan 8.230 nan 0.000 0.451 42 N N 1.470 120.341 118.700 0.285 0.000 2.438 42 N HA 0.491 5.230 4.740 -0.000 0.000 0.282 42 N C -1.157 174.530 175.510 0.295 0.000 1.037 42 N CA -0.220 52.932 53.050 0.171 0.000 0.942 42 N CB 1.266 39.784 38.487 0.051 0.000 1.136 42 N HN 0.453 nan 8.380 nan 0.000 0.481 43 Y N -1.802 118.580 120.300 0.137 0.000 2.689 43 Y HA 0.548 5.097 4.550 -0.000 0.000 0.333 43 Y C -1.053 174.931 175.900 0.140 0.000 1.208 43 Y CA -1.240 56.955 58.100 0.158 0.000 1.055 43 Y CB 1.473 40.063 38.460 0.218 0.000 1.304 43 Y HN 0.382 nan 8.280 nan 0.000 0.455 44 E N 2.355 122.767 120.200 0.355 0.000 2.260 44 E HA 0.531 4.881 4.350 -0.000 0.000 0.266 44 E C -2.132 174.726 176.600 0.431 0.000 0.887 44 E CA -0.740 55.819 56.400 0.266 0.000 0.777 44 E CB 1.555 31.338 29.700 0.139 0.000 1.205 44 E HN 0.810 nan 8.360 nan 0.000 0.414 45 L N 3.100 124.616 121.223 0.487 0.000 2.296 45 L HA 0.430 4.770 4.340 -0.000 0.000 0.286 45 L C -0.324 176.831 176.870 0.475 0.000 1.023 45 L CA -0.798 54.337 54.840 0.491 0.000 0.812 45 L CB 1.876 44.230 42.059 0.492 0.000 1.223 45 L HN 0.452 nan 8.230 nan 0.000 0.421 46 S N 4.206 120.118 115.700 0.354 0.000 2.448 46 S HA 0.645 5.115 4.470 -0.000 0.000 0.320 46 S C -0.573 174.162 174.600 0.224 0.000 1.071 46 S CA -0.553 57.792 58.200 0.243 0.000 1.113 46 S CB 0.255 63.536 63.200 0.134 0.000 0.972 46 S HN 0.447 nan 8.310 nan 0.000 0.465 47 F N 1.638 121.572 119.950 -0.027 0.000 2.650 47 F HA 0.837 5.364 4.527 -0.000 0.000 0.320 47 F C -0.872 174.852 175.800 -0.128 0.000 1.091 47 F CA -1.691 56.205 58.000 -0.174 0.000 0.962 47 F CB 1.062 39.818 39.000 -0.407 0.000 1.363 47 F HN 0.408 nan 8.300 nan 0.000 0.482 48 I N 0.858 121.377 120.570 -0.085 0.000 2.530 48 I HA 0.772 4.942 4.170 -0.000 0.000 0.297 48 I C -0.891 175.255 176.117 0.049 0.000 1.011 48 I CA -0.882 60.349 61.300 -0.114 0.000 1.107 48 I CB 2.190 40.142 38.000 -0.080 0.000 1.285 48 I HN 0.766 nan 8.210 nan 0.000 0.436 49 S N 6.473 122.211 115.700 0.063 0.000 2.449 49 S HA 0.710 5.180 4.470 -0.000 0.000 0.310 49 S C -0.695 173.959 174.600 0.091 0.000 1.096 49 S CA -0.690 57.613 58.200 0.171 0.000 1.095 49 S CB 1.091 64.458 63.200 0.278 0.000 1.007 49 S HN 0.618 nan 8.310 nan 0.000 0.474 50 I N 3.918 124.540 120.570 0.087 0.000 2.404 50 I HA 0.540 4.709 4.170 -0.000 0.000 0.293 50 I C -0.392 175.763 176.117 0.064 0.000 0.992 50 I CA -0.568 60.764 61.300 0.054 0.000 1.149 50 I CB 1.345 39.362 38.000 0.030 0.000 1.315 50 I HN 0.927 nan 8.210 nan 0.000 0.446 51 N N 3.795 122.526 118.700 0.051 0.000 3.378 51 N HA 0.247 4.987 4.740 -0.000 0.000 0.294 51 N C -0.167 175.363 175.510 0.034 0.000 1.544 51 N CA -1.001 52.077 53.050 0.046 0.000 0.872 51 N CB 0.693 39.217 38.487 0.061 0.000 1.670 51 N HN 0.214 nan 8.380 nan 0.000 0.551 52 K N -0.597 119.821 120.400 0.030 0.000 2.160 52 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 52 K C 1.212 177.827 176.600 0.025 0.000 1.047 52 K CA 1.649 57.950 56.287 0.024 0.000 0.930 52 K CB -0.210 32.303 32.500 0.021 0.000 0.720 52 K HN 0.485 nan 8.250 nan 0.000 0.450 53 Q N -0.395 119.424 119.800 0.032 0.000 2.135 53 Q HA -0.082 4.258 4.340 -0.000 0.000 0.204 53 Q C 1.345 177.360 176.000 0.025 0.000 0.981 53 Q CA 1.506 57.328 55.803 0.031 0.000 0.856 53 Q CB 0.040 28.802 28.738 0.039 0.000 0.902 53 Q HN 0.460 nan 8.270 nan 0.000 0.425 54 G N -0.954 107.861 108.800 0.025 0.000 2.291 54 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.249 54 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.249 54 G C -1.546 173.363 174.900 0.015 0.000 1.340 54 G CA -0.453 44.657 45.100 0.017 0.000 1.017 54 G HN -0.006 nan 8.290 nan 0.000 0.470 55 V N 1.442 121.359 119.914 0.005 0.000 2.311 55 V HA 0.589 4.708 4.120 -0.000 0.000 0.275 55 V C 0.093 176.178 176.094 -0.015 0.000 1.022 55 V CA -0.138 62.159 62.300 -0.005 0.000 0.830 55 V CB 0.932 32.747 31.823 -0.014 0.000 1.012 55 V HN 0.848 nan 8.190 nan 0.000 0.452 56 E N 3.614 123.804 120.200 -0.018 0.000 2.191 56 E HA 0.465 4.815 4.350 -0.000 0.000 0.278 56 E C -0.359 176.176 176.600 -0.108 0.000 0.972 56 E CA -0.181 56.196 56.400 -0.040 0.000 0.804 56 E CB 1.707 31.400 29.700 -0.012 0.000 1.110 56 E HN 0.583 nan 8.360 nan 0.000 0.394 57 S N 5.488 121.115 115.700 -0.123 0.000 2.420 57 S HA 0.460 4.929 4.470 -0.000 0.000 0.313 57 S C -1.076 173.370 174.600 -0.255 0.000 1.079 57 S CA -0.804 57.285 58.200 -0.185 0.000 1.104 57 S CB -0.050 63.084 63.200 -0.110 0.000 0.969 57 S HN 0.447 nan 8.310 nan 0.000 0.471 58 L N 4.059 124.976 121.223 -0.509 0.000 2.323 58 L HA 0.665 5.005 4.340 -0.000 0.000 0.265 58 L C 0.222 176.855 176.870 -0.396 0.000 1.012 58 L CA -0.630 53.884 54.840 -0.543 0.000 0.820 58 L CB 1.773 43.284 42.059 -0.913 0.000 1.334 58 L HN 0.690 nan 8.230 nan 0.000 0.427 59 R N 0.883 121.349 120.500 -0.056 0.000 2.513 59 R HA 0.452 4.792 4.340 -0.000 0.000 0.301 59 R C -2.011 174.510 176.300 0.367 0.000 0.968 59 R CA -0.567 55.628 56.100 0.159 0.000 0.872 59 R CB 1.747 32.098 30.300 0.084 0.000 1.177 59 R HN 0.549 nan 8.270 nan 0.000 0.444 60 Y N 3.675 124.188 120.300 0.354 0.000 2.331 60 Y HA 0.471 5.021 4.550 -0.000 0.000 0.334 60 Y C -1.098 174.904 175.900 0.170 0.000 0.960 60 Y CA -0.756 57.523 58.100 0.298 0.000 1.130 60 Y CB 1.361 40.064 38.460 0.405 0.000 1.164 60 Y HN 0.512 nan 8.280 nan 0.000 0.458 61 R N 4.185 124.419 120.500 -0.444 0.000 2.494 61 R HA 0.372 4.711 4.340 -0.000 0.000 0.305 61 R C -1.674 174.167 176.300 -0.765 0.000 0.959 61 R CA -0.998 54.830 56.100 -0.453 0.000 0.864 61 R CB 1.523 31.679 30.300 -0.240 0.000 1.159 61 R HN 0.770 nan 8.270 nan 0.000 0.446 62 H N 0.786 119.336 119.070 -0.867 0.000 2.717 62 H HA 0.746 5.301 4.556 -0.000 0.000 0.366 62 H C -1.657 173.397 175.328 -0.457 0.000 1.132 62 H CA -0.406 55.197 56.048 -0.742 0.000 1.180 62 H CB 1.835 31.026 29.762 -0.952 0.000 1.678 62 H HN 0.759 nan 8.280 nan 0.000 0.537 63 A N 4.063 126.399 122.820 -0.806 0.000 2.609 63 A HA 0.678 4.998 4.320 -0.000 0.000 0.291 63 A C -1.330 175.973 177.584 -0.468 0.000 1.096 63 A CA -0.945 50.821 52.037 -0.451 0.000 0.684 63 A CB 1.723 20.572 19.000 -0.252 0.000 1.282 63 A HN 0.717 nan 8.150 nan 0.000 0.412 64 R N 0.636 121.010 120.500 -0.210 0.000 2.480 64 R HA 0.619 4.959 4.340 -0.000 0.000 0.306 64 R C -1.758 174.493 176.300 -0.083 0.000 0.958 64 R CA -0.612 55.411 56.100 -0.129 0.000 0.861 64 R CB 1.845 32.123 30.300 -0.037 0.000 1.171 64 R HN 0.550 nan 8.270 nan 0.000 0.445 65 L N 3.484 124.659 121.223 -0.079 0.000 2.438 65 L HA 0.291 4.631 4.340 -0.000 0.000 0.270 65 L C -0.928 175.917 176.870 -0.041 0.000 0.972 65 L CA -0.052 54.754 54.840 -0.057 0.000 0.831 65 L CB 1.853 43.871 42.059 -0.068 0.000 1.273 65 L HN 0.792 nan 8.230 nan 0.000 0.405 66 D N 3.361 123.744 120.400 -0.028 0.000 2.699 66 D HA -0.214 4.426 4.640 -0.000 0.000 0.239 66 D C 0.253 176.544 176.300 -0.016 0.000 1.136 66 D CA 1.245 55.233 54.000 -0.020 0.000 0.668 66 D CB -0.653 40.135 40.800 -0.021 0.000 1.060 66 D HN 0.903 nan 8.370 nan 0.000 0.429 67 N N -0.212 118.481 118.700 -0.012 0.000 2.686 67 N HA -0.283 4.457 4.740 -0.000 0.000 0.261 67 N C 0.056 175.563 175.510 -0.006 0.000 1.001 67 N CA 1.326 54.374 53.050 -0.004 0.000 0.764 67 N CB -0.418 38.069 38.487 0.000 0.000 0.898 67 N HN 0.564 nan 8.380 nan 0.000 0.544 68 R N -0.047 120.444 120.500 -0.016 0.000 2.594 68 R HA 0.331 4.671 4.340 -0.000 0.000 0.265 68 R C -3.073 173.203 176.300 -0.041 0.000 1.070 68 R CA -1.796 54.291 56.100 -0.021 0.000 0.909 68 R CB 1.888 32.172 30.300 -0.026 0.000 1.243 68 R HN -0.093 nan 8.270 nan 0.000 0.455 69 P HA 0.204 nan 4.420 nan 0.000 0.275 69 P C -1.218 176.016 177.300 -0.109 0.000 1.227 69 P CA -0.392 62.673 63.100 -0.059 0.000 0.781 69 P CB 1.062 32.791 31.700 0.049 0.000 0.906 70 L N 2.562 123.648 121.223 -0.228 0.000 2.438 70 L HA 0.763 5.103 4.340 -0.000 0.000 0.270 70 L C -1.147 175.564 176.870 -0.266 0.000 0.972 70 L CA -0.370 54.350 54.840 -0.199 0.000 0.831 70 L CB 1.803 43.746 42.059 -0.192 0.000 1.273 70 L HN 0.572 nan 8.230 nan 0.000 0.405 71 A N 4.189 126.911 122.820 -0.163 0.000 2.572 71 A HA 0.780 5.100 4.320 -0.000 0.000 0.295 71 A C -1.722 175.777 177.584 -0.140 0.000 1.072 71 A CA -0.527 51.401 52.037 -0.182 0.000 0.691 71 A CB 1.974 20.983 19.000 0.016 0.000 1.291 71 A HN 0.604 nan 8.150 nan 0.000 0.404 72 Q N 1.016 120.695 119.800 -0.202 0.000 2.271 72 Q HA 0.586 4.926 4.340 -0.000 0.000 0.268 72 Q C -2.365 173.662 176.000 0.044 0.000 1.021 72 Q CA -0.703 55.052 55.803 -0.079 0.000 0.802 72 Q CB 1.947 30.622 28.738 -0.105 0.000 1.282 72 Q HN 0.786 nan 8.270 nan 0.000 0.431 73 L N 5.044 126.365 121.223 0.164 0.000 2.287 73 L HA 0.538 4.877 4.340 -0.000 0.000 0.287 73 L C -1.845 175.113 176.870 0.146 0.000 1.022 73 L CA -0.509 54.497 54.840 0.277 0.000 0.814 73 L CB 1.462 43.717 42.059 0.328 0.000 1.217 73 L HN 0.679 nan 8.230 nan 0.000 0.420 74 L N 4.418 125.715 121.223 0.123 0.000 2.356 74 L HA 0.502 4.841 4.340 -0.000 0.000 0.277 74 L C -0.368 176.524 176.870 0.036 0.000 0.996 74 L CA -0.143 54.731 54.840 0.057 0.000 0.822 74 L CB 1.763 43.835 42.059 0.021 0.000 1.256 74 L HN 0.776 nan 8.230 nan 0.000 0.413 75 Q N 4.154 123.973 119.800 0.033 0.000 2.296 75 Q HA 0.163 4.502 4.340 -0.000 0.000 0.262 75 Q C 0.201 176.196 176.000 -0.009 0.000 0.981 75 Q CA -0.174 55.633 55.803 0.007 0.000 0.905 75 Q CB 1.043 29.800 28.738 0.031 0.000 1.186 75 Q HN 0.773 nan 8.270 nan 0.000 0.399 76 M N 1.763 121.342 119.600 -0.035 0.000 2.435 76 M HA 0.117 4.597 4.480 -0.000 0.000 0.265 76 M C -0.448 175.840 176.300 -0.021 0.000 1.104 76 M CA 0.712 55.994 55.300 -0.031 0.000 1.140 76 M CB -0.057 32.515 32.600 -0.048 0.000 1.372 76 M HN 0.542 nan 8.290 nan 0.000 0.456 77 D N 0.050 120.438 120.400 -0.019 0.000 2.252 77 D HA 0.607 5.247 4.640 -0.000 0.000 0.245 77 D C 0.748 177.049 176.300 0.002 0.000 1.009 77 D CA 0.383 54.378 54.000 -0.010 0.000 0.870 77 D CB 1.682 42.474 40.800 -0.013 0.000 1.251 77 D HN 0.300 nan 8.370 nan 0.000 0.460 78 G N 1.675 110.479 108.800 0.006 0.000 2.542 78 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.235 78 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.235 78 G C -2.218 172.694 174.900 0.019 0.000 1.286 78 G CA -0.846 44.262 45.100 0.013 0.000 0.904 78 G HN 0.588 nan 8.290 nan 0.000 0.577 79 P HA 0.223 nan 4.420 nan 0.000 0.266 79 P C -0.030 177.293 177.300 0.040 0.000 1.193 79 P CA -0.044 63.077 63.100 0.036 0.000 0.770 79 P CB 0.382 32.109 31.700 0.045 0.000 0.836 80 R N 3.002 123.527 120.500 0.042 0.000 3.710 80 R HA 0.098 4.438 4.340 -0.000 0.000 0.201 80 R C 0.172 176.511 176.300 0.066 0.000 1.641 80 R CA -0.279 55.845 56.100 0.040 0.000 1.390 80 R CB -0.310 30.005 30.300 0.025 0.000 1.341 80 R HN 0.386 nan 8.270 nan 0.000 0.728 81 R N 1.713 122.257 120.500 0.074 0.000 2.401 81 R HA 0.048 4.388 4.340 -0.000 0.000 0.299 81 R C -0.268 176.091 176.300 0.100 0.000 1.064 81 R CA 0.393 56.556 56.100 0.106 0.000 1.000 81 R CB 0.824 31.190 30.300 0.110 0.000 0.973 81 R HN 0.451 nan 8.270 nan 0.000 0.438 82 E N 2.331 122.610 120.200 0.131 0.000 2.293 82 E HA 0.411 4.761 4.350 -0.000 0.000 0.270 82 E C -1.495 175.175 176.600 0.117 0.000 0.879 82 E CA -0.843 55.612 56.400 0.093 0.000 0.756 82 E CB 2.080 31.781 29.700 0.002 0.000 1.208 82 E HN 0.204 nan 8.360 nan 0.000 0.428 83 V N 3.558 123.495 119.914 0.038 0.000 2.638 83 V HA 0.473 4.593 4.120 -0.000 0.000 0.306 83 V C -0.396 175.657 176.094 -0.068 0.000 1.052 83 V CA -0.857 61.377 62.300 -0.110 0.000 0.885 83 V CB 1.545 33.252 31.823 -0.193 0.000 0.999 83 V HN 0.536 nan 8.190 nan 0.000 0.424 84 V N 2.082 121.939 119.914 -0.095 0.000 2.823 84 V HA 0.796 4.915 4.120 -0.000 0.000 0.312 84 V C -0.824 175.234 176.094 -0.061 0.000 1.072 84 V CA -0.583 61.687 62.300 -0.051 0.000 0.937 84 V CB 1.830 33.637 31.823 -0.026 0.000 1.013 84 V HN 0.995 nan 8.190 nan 0.000 0.430 85 Q N 3.104 122.885 119.800 -0.032 0.000 2.340 85 Q HA 0.603 4.943 4.340 -0.000 0.000 0.268 85 Q C -1.073 174.909 176.000 -0.030 0.000 1.031 85 Q CA -0.853 54.939 55.803 -0.018 0.000 0.804 85 Q CB 2.052 30.808 28.738 0.030 0.000 1.286 85 Q HN 0.890 nan 8.270 nan 0.000 0.448 86 R N 2.979 123.464 120.500 -0.025 0.000 2.521 86 R HA 0.367 4.706 4.340 -0.000 0.000 0.295 86 R C 0.119 176.406 176.300 -0.023 0.000 1.183 86 R CA 0.710 56.792 56.100 -0.029 0.000 0.957 86 R CB 1.046 31.332 30.300 -0.022 0.000 1.171 86 R HN 1.030 nan 8.270 nan 0.000 0.494 87 G N 4.368 113.153 108.800 -0.025 0.000 2.634 87 G HA2 -0.473 3.487 3.960 -0.000 0.000 0.318 87 G HA3 -0.473 3.487 3.960 -0.000 0.000 0.318 87 G C 0.272 175.158 174.900 -0.023 0.000 1.207 87 G CA 0.860 45.948 45.100 -0.020 0.000 0.987 87 G HN 0.804 nan 8.290 nan 0.000 0.547 88 N N 0.845 119.529 118.700 -0.026 0.000 2.238 88 N HA 0.372 5.111 4.740 -0.000 0.000 0.222 88 N C 0.058 175.554 175.510 -0.023 0.000 1.133 88 N CA 0.380 53.407 53.050 -0.038 0.000 0.854 88 N CB 0.522 38.984 38.487 -0.042 0.000 1.041 88 N HN 0.671 nan 8.380 nan 0.000 0.510 89 E N 1.032 121.224 120.200 -0.012 0.000 2.151 89 E HA 0.289 4.639 4.350 -0.000 0.000 0.275 89 E C -0.580 176.017 176.600 -0.005 0.000 0.936 89 E CA -0.775 55.627 56.400 0.002 0.000 0.777 89 E CB 1.745 31.449 29.700 0.007 0.000 1.108 89 E HN 0.214 nan 8.360 nan 0.000 0.401 90 I N 2.237 122.812 120.570 0.008 0.000 2.362 90 I HA 0.267 4.436 4.170 -0.000 0.000 0.289 90 I C -0.084 175.963 176.117 -0.117 0.000 0.994 90 I CA -0.484 60.782 61.300 -0.057 0.000 1.158 90 I CB 1.242 39.243 38.000 0.002 0.000 1.315 90 I HN 0.316 nan 8.210 nan 0.000 0.451 91 S N 5.818 121.381 115.700 -0.230 0.000 2.509 91 S HA 0.640 5.110 4.470 -0.000 0.000 0.297 91 S C -0.950 173.329 174.600 -0.535 0.000 1.118 91 S CA -0.406 57.632 58.200 -0.270 0.000 1.074 91 S CB 1.250 64.414 63.200 -0.060 0.000 1.038 91 S HN 0.326 nan 8.310 nan 0.000 0.498 92 Y N 1.769 121.694 120.300 -0.626 0.000 2.328 92 Y HA 0.514 5.063 4.550 -0.000 0.000 0.333 92 Y C -0.666 174.853 175.900 -0.635 0.000 0.958 92 Y CA -0.657 57.075 58.100 -0.613 0.000 1.167 92 Y CB 0.710 38.534 38.460 -1.061 0.000 1.151 92 Y HN 0.520 nan 8.280 nan 0.000 0.470 93 F N 2.631 122.525 119.950 -0.094 0.000 2.469 93 F HA 0.562 5.089 4.527 -0.000 0.000 0.332 93 F C 0.106 175.920 175.800 0.023 0.000 1.103 93 F CA -0.774 57.204 58.000 -0.037 0.000 0.979 93 F CB 1.492 40.466 39.000 -0.043 0.000 1.137 93 F HN 0.354 nan 8.300 nan 0.000 0.463 94 E N 2.349 122.664 120.200 0.191 0.000 2.408 94 E HA 0.310 4.660 4.350 -0.000 0.000 0.275 94 E C -2.721 173.953 176.600 0.124 0.000 0.935 94 E CA -2.060 54.427 56.400 0.146 0.000 0.775 94 E CB 1.963 31.746 29.700 0.137 0.000 1.277 94 E HN 0.199 nan 8.360 nan 0.000 0.455 95 P HA 0.009 nan 4.420 nan 0.000 0.261 95 P C 0.630 177.974 177.300 0.074 0.000 1.203 95 P CA 0.608 63.755 63.100 0.078 0.000 0.767 95 P CB -0.191 31.549 31.700 0.066 0.000 0.785 96 G N 2.951 111.793 108.800 0.069 0.000 2.361 96 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.294 96 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.294 96 G C -0.164 174.774 174.900 0.063 0.000 1.004 96 G CA 0.012 45.148 45.100 0.060 0.000 0.870 96 G HN 0.561 nan 8.290 nan 0.000 0.510 97 L N 0.037 121.307 121.223 0.077 0.000 2.354 97 L HA 0.431 4.771 4.340 -0.000 0.000 0.269 97 L C 0.494 177.411 176.870 0.078 0.000 1.005 97 L CA -1.125 53.763 54.840 0.081 0.000 0.819 97 L CB 1.317 43.438 42.059 0.104 0.000 1.311 97 L HN 0.363 nan 8.230 nan 0.000 0.423 98 E N 3.185 123.429 120.200 0.073 0.000 2.366 98 E HA 0.233 4.583 4.350 -0.000 0.000 0.266 98 E C -2.576 174.072 176.600 0.080 0.000 1.015 98 E CA -1.593 54.844 56.400 0.063 0.000 0.906 98 E CB 0.188 29.921 29.700 0.055 0.000 0.979 98 E HN 0.266 nan 8.360 nan 0.000 0.443 99 P HA 0.336 nan 4.420 nan 0.000 0.279 99 P C -0.821 176.421 177.300 -0.098 0.000 1.252 99 P CA -0.457 62.485 63.100 -0.263 0.000 0.811 99 P CB 0.318 31.549 31.700 -0.783 0.000 1.035 100 F N -2.683 117.154 119.950 -0.188 0.000 2.643 100 F HA 0.792 5.319 4.527 -0.000 0.000 0.314 100 F C -0.918 174.875 175.800 -0.012 0.000 1.096 100 F CA -0.850 57.102 58.000 -0.080 0.000 0.953 100 F CB 1.010 39.988 39.000 -0.036 0.000 1.345 100 F HN 0.057 nan 8.300 nan 0.000 0.468 101 T N 2.686 117.358 114.554 0.197 0.000 2.887 101 T HA 0.786 5.136 4.350 -0.000 0.000 0.288 101 T C -0.658 174.186 174.700 0.241 0.000 1.021 101 T CA -0.637 61.550 62.100 0.144 0.000 1.000 101 T CB 1.760 70.663 68.868 0.058 0.000 1.034 101 T HN 0.629 nan 8.240 nan 0.000 0.467 102 L N 1.622 122.985 121.223 0.233 0.000 2.303 102 L HA 0.603 4.943 4.340 -0.000 0.000 0.256 102 L C -0.204 176.734 176.870 0.114 0.000 1.034 102 L CA -1.421 53.534 54.840 0.192 0.000 0.832 102 L CB 1.409 43.621 42.059 0.255 0.000 1.403 102 L HN 0.441 nan 8.230 nan 0.000 0.419 103 N N 0.697 119.441 118.700 0.073 0.000 2.472 103 N HA 0.606 5.346 4.740 -0.000 0.000 0.277 103 N C -0.389 175.128 175.510 0.013 0.000 1.081 103 N CA 0.026 53.093 53.050 0.027 0.000 0.973 103 N CB 1.856 40.346 38.487 0.005 0.000 1.105 103 N HN 0.808 nan 8.380 nan 0.000 0.470 104 G N 0.635 109.417 108.800 -0.029 0.000 2.667 104 G HA2 0.163 4.122 3.960 -0.000 0.000 0.294 104 G HA3 0.163 4.122 3.960 -0.000 0.000 0.294 104 G C -0.401 174.379 174.900 -0.199 0.000 1.467 104 G CA -0.457 44.584 45.100 -0.097 0.000 0.852 104 G HN 0.257 nan 8.290 nan 0.000 0.521 105 D N -0.860 119.278 120.400 -0.436 0.000 2.289 105 D HA 0.171 4.811 4.640 -0.000 0.000 0.207 105 D C 0.159 176.146 176.300 -0.523 0.000 0.966 105 D CA 1.583 55.256 54.000 -0.544 0.000 0.868 105 D CB 0.098 40.447 40.800 -0.752 0.000 0.943 105 D HN 0.468 nan 8.370 nan 0.000 0.514 106 Y N -1.959 118.229 120.300 -0.187 0.000 2.624 106 Y HA 0.450 4.999 4.550 -0.000 0.000 0.334 106 Y C -0.671 175.163 175.900 -0.110 0.000 1.155 106 Y CA -1.702 56.245 58.100 -0.254 0.000 1.046 106 Y CB 0.221 38.174 38.460 -0.844 0.000 1.316 106 Y HN -0.362 nan 8.280 nan 0.000 0.457 107 I N 2.455 123.164 120.570 0.233 0.000 2.556 107 I HA 0.263 4.433 4.170 -0.000 0.000 0.284 107 I C 0.019 176.292 176.117 0.260 0.000 1.114 107 I CA -0.495 60.946 61.300 0.234 0.000 1.418 107 I CB 0.970 39.122 38.000 0.253 0.000 1.394 107 I HN 0.547 nan 8.210 nan 0.000 0.552 108 V N 6.383 126.460 119.914 0.273 0.000 2.617 108 V HA 0.267 4.387 4.120 -0.000 0.000 0.298 108 V C 0.193 176.424 176.094 0.228 0.000 1.048 108 V CA -0.072 62.379 62.300 0.252 0.000 0.964 108 V CB 1.374 33.351 31.823 0.257 0.000 1.004 108 V HN 0.968 nan 8.190 nan 0.000 0.466 109 D N 2.352 122.867 120.400 0.192 0.000 3.077 109 D HA -0.167 4.473 4.640 -0.000 0.000 0.212 109 D C 1.068 177.494 176.300 0.209 0.000 1.125 109 D CA 1.419 55.532 54.000 0.189 0.000 0.970 109 D CB -1.292 39.626 40.800 0.198 0.000 1.110 109 D HN 0.863 nan 8.370 nan 0.000 0.419 110 S N -0.563 115.241 115.700 0.173 0.000 2.702 110 S HA 0.234 4.703 4.470 -0.000 0.000 0.166 110 S C 0.804 175.396 174.600 -0.012 0.000 1.143 110 S CA -0.467 57.828 58.200 0.159 0.000 1.904 110 S CB 0.148 63.364 63.200 0.026 0.000 0.492 110 S HN 0.055 nan 8.310 nan 0.000 0.431 111 L N 2.911 123.905 121.223 -0.382 0.000 2.613 111 L HA 0.164 4.504 4.340 -0.000 0.000 0.304 111 L C -2.218 174.342 176.870 -0.517 0.000 1.266 111 L CA -0.357 54.067 54.840 -0.693 0.000 0.868 111 L CB -1.037 40.509 42.059 -0.856 0.000 1.111 111 L HN 0.434 nan 8.230 nan 0.000 0.515 112 P HA 0.088 nan 4.420 nan 0.000 0.269 112 P C 0.415 177.402 177.300 -0.522 0.000 1.209 112 P CA -0.089 62.756 63.100 -0.426 0.000 0.776 112 P CB 0.527 31.956 31.700 -0.452 0.000 0.876 113 S N 3.401 118.921 115.700 -0.301 0.000 2.400 113 S HA -0.171 4.299 4.470 -0.000 0.000 0.232 113 S C 1.904 176.189 174.600 -0.524 0.000 1.025 113 S CA 0.632 58.650 58.200 -0.304 0.000 0.993 113 S CB -1.220 61.918 63.200 -0.104 0.000 0.808 113 S HN 0.404 nan 8.310 nan 0.000 0.478 114 L N 0.779 121.604 121.223 -0.663 0.000 2.198 114 L HA -0.175 4.165 4.340 -0.000 0.000 0.218 114 L C 1.948 178.458 176.870 -0.601 0.000 1.084 114 L CA 1.777 56.152 54.840 -0.775 0.000 0.779 114 L CB -0.647 40.755 42.059 -1.095 0.000 0.890 114 L HN 0.381 nan 8.230 nan 0.000 0.439 115 I N -1.382 118.738 120.570 -0.751 0.000 2.500 115 I HA -0.233 3.936 4.170 -0.000 0.000 0.252 115 I C 2.079 177.834 176.117 -0.604 0.000 1.142 115 I CA 1.115 61.986 61.300 -0.714 0.000 1.451 115 I CB -1.417 36.019 38.000 -0.939 0.000 1.093 115 I HN 0.258 nan 8.210 nan 0.000 0.430 116 Y N 1.142 121.201 120.300 -0.402 0.000 2.529 116 Y HA 0.110 4.660 4.550 -0.000 0.000 0.290 116 Y C 1.230 176.933 175.900 -0.327 0.000 1.177 116 Y CA -0.328 57.568 58.100 -0.339 0.000 1.305 116 Y CB -0.742 37.404 38.460 -0.523 0.000 1.047 116 Y HN -0.062 nan 8.280 nan 0.000 0.522 117 T N 1.265 115.579 114.554 -0.400 0.000 2.930 117 T HA -0.060 4.290 4.350 -0.000 0.000 0.306 117 T C -0.109 174.208 174.700 -0.638 0.000 1.045 117 T CA -0.295 61.421 62.100 -0.640 0.000 1.134 117 T CB 0.443 68.596 68.868 -1.192 0.000 0.961 117 T HN 0.121 nan 8.240 nan 0.000 0.545 118 D N 1.739 121.866 120.400 -0.454 0.000 2.422 118 D HA 0.158 4.798 4.640 -0.000 0.000 0.227 118 D C 0.246 176.328 176.300 -0.363 0.000 1.190 118 D CA -0.617 53.204 54.000 -0.298 0.000 0.905 118 D CB -0.151 40.569 40.800 -0.132 0.000 1.034 118 D HN 0.438 nan 8.370 nan 0.000 0.507 119 F N 2.214 122.064 119.950 -0.167 0.000 2.407 119 F HA 0.026 4.553 4.527 -0.000 0.000 0.299 119 F C 2.431 178.192 175.800 -0.065 0.000 1.097 119 F CA 0.358 58.239 58.000 -0.199 0.000 1.422 119 F CB 0.071 38.805 39.000 -0.445 0.000 1.067 119 F HN 0.324 nan 8.300 nan 0.000 0.539 120 K N 0.816 121.263 120.400 0.079 0.000 2.026 120 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 120 K C 2.448 179.068 176.600 0.034 0.000 1.048 120 K CA 1.221 57.545 56.287 0.062 0.000 0.929 120 K CB -0.144 32.375 32.500 0.032 0.000 0.713 120 K HN 0.104 nan 8.250 nan 0.000 0.439 121 R N 0.478 120.977 120.500 -0.003 0.000 2.081 121 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 121 R C 2.206 178.450 176.300 -0.093 0.000 1.131 121 R CA 1.278 57.376 56.100 -0.005 0.000 0.960 121 R CB -0.196 30.106 30.300 0.003 0.000 0.856 121 R HN 0.137 nan 8.270 nan 0.000 0.436 122 L N 0.886 122.022 121.223 -0.144 0.000 2.217 122 L HA -0.105 4.234 4.340 -0.000 0.000 0.211 122 L C 2.531 179.113 176.870 -0.479 0.000 1.107 122 L CA 1.722 56.346 54.840 -0.360 0.000 0.783 122 L CB -0.433 41.535 42.059 -0.153 0.000 0.919 122 L HN 0.279 nan 8.230 nan 0.000 0.442 123 S N -0.562 115.078 115.700 -0.099 0.000 2.400 123 S HA -0.076 4.394 4.470 -0.000 0.000 0.232 123 S C -0.279 174.174 174.600 -0.244 0.000 1.025 123 S CA 0.885 59.020 58.200 -0.108 0.000 0.993 123 S CB -1.674 61.627 63.200 0.167 0.000 0.808 123 S HN 0.266 nan 8.310 nan 0.000 0.478 124 P HA -0.076 nan 4.420 nan 0.000 0.219 124 P C 0.798 178.083 177.300 -0.024 0.000 1.146 124 P CA 1.120 64.174 63.100 -0.075 0.000 0.808 124 P CB -0.285 31.462 31.700 0.078 0.000 0.779 125 Y N -6.369 113.931 120.300 0.000 0.000 2.527 125 Y HA 0.444 4.994 4.550 -0.000 0.000 0.247 125 Y C 0.174 175.959 175.900 -0.192 0.000 1.138 125 Y CA -1.179 56.874 58.100 -0.079 0.000 1.228 125 Y CB -0.422 37.987 38.460 -0.084 0.000 1.252 125 Y HN -0.213 nan 8.280 nan 0.000 0.531 126 Y N 1.437 121.540 120.300 -0.329 0.000 2.487 126 Y HA 0.511 5.061 4.550 -0.000 0.000 0.337 126 Y C -0.317 175.215 175.900 -0.613 0.000 1.076 126 Y CA -1.451 56.434 58.100 -0.359 0.000 1.115 126 Y CB 1.236 39.494 38.460 -0.336 0.000 1.235 126 Y HN -0.048 nan 8.280 nan 0.000 0.468 127 D N 1.834 122.059 120.400 -0.291 0.000 2.168 127 D HA 0.328 4.967 4.640 -0.000 0.000 0.246 127 D C -1.254 174.871 176.300 -0.292 0.000 1.050 127 D CA -0.128 53.674 54.000 -0.329 0.000 0.857 127 D CB 0.980 41.714 40.800 -0.110 0.000 1.169 127 D HN 0.302 nan 8.370 nan 0.000 0.453 128 F N 2.091 122.062 119.950 0.035 0.000 2.403 128 F HA 0.450 4.977 4.527 -0.000 0.000 0.355 128 F C 0.343 176.117 175.800 -0.044 0.000 1.119 128 F CA -0.899 57.087 58.000 -0.022 0.000 1.007 128 F CB 1.077 40.027 39.000 -0.083 0.000 1.194 128 F HN -0.012 nan 8.300 nan 0.000 0.443 129 I N 2.406 123.047 120.570 0.119 0.000 2.362 129 I HA 0.184 4.354 4.170 -0.000 0.000 0.289 129 I C 0.178 176.285 176.117 -0.015 0.000 0.994 129 I CA -0.574 60.748 61.300 0.036 0.000 1.158 129 I CB 1.850 39.864 38.000 0.023 0.000 1.315 129 I HN 0.475 nan 8.210 nan 0.000 0.451 130 S N 4.934 120.617 115.700 -0.029 0.000 2.531 130 S HA 0.166 4.635 4.470 -0.000 0.000 0.279 130 S C 0.303 174.862 174.600 -0.069 0.000 1.305 130 S CA -0.301 57.861 58.200 -0.063 0.000 1.058 130 S CB 1.086 64.255 63.200 -0.052 0.000 0.899 130 S HN 0.534 nan 8.310 nan 0.000 0.493 131 V N 4.840 124.691 119.914 -0.105 0.000 3.159 131 V HA 0.597 4.717 4.120 -0.000 0.000 0.333 131 V C 0.659 176.701 176.094 -0.087 0.000 1.424 131 V CA 1.044 63.287 62.300 -0.095 0.000 1.125 131 V CB -0.900 30.853 31.823 -0.116 0.000 1.075 131 V HN 1.472 nan 8.190 nan 0.000 0.482 132 G N 1.417 110.168 108.800 -0.081 0.000 2.548 132 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.208 132 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.208 132 G C -0.533 174.332 174.900 -0.057 0.000 1.308 132 G CA -0.198 44.870 45.100 -0.054 0.000 0.924 132 G HN 0.657 nan 8.290 nan 0.000 0.540 133 R N -0.908 119.581 120.500 -0.018 0.000 2.803 133 R HA 0.841 5.181 4.340 -0.000 0.000 0.276 133 R C -0.355 175.976 176.300 0.052 0.000 0.978 133 R CA -0.100 56.004 56.100 0.007 0.000 0.939 133 R CB 2.275 32.580 30.300 0.008 0.000 1.179 133 R HN 0.786 nan 8.270 nan 0.000 0.472 134 T N 0.331 114.946 114.554 0.101 0.000 2.830 134 T HA 0.273 4.622 4.350 -0.000 0.000 0.322 134 T C -1.482 173.303 174.700 0.142 0.000 1.501 134 T CA -0.768 61.416 62.100 0.140 0.000 1.036 134 T CB 1.191 70.190 68.868 0.218 0.000 1.379 134 T HN 0.364 nan 8.240 nan 0.000 0.493 135 R N 2.564 123.123 120.500 0.097 0.000 2.267 135 R HA 0.447 4.786 4.340 -0.000 0.000 0.319 135 R C -0.548 175.777 176.300 0.043 0.000 1.067 135 R CA -0.288 55.852 56.100 0.068 0.000 0.936 135 R CB 0.215 30.540 30.300 0.043 0.000 1.006 135 R HN 0.373 nan 8.270 nan 0.000 0.452 136 I N 1.669 122.258 120.570 0.032 0.000 2.569 136 I HA 0.196 4.366 4.170 -0.000 0.000 0.296 136 I C 0.648 176.762 176.117 -0.005 0.000 1.028 136 I CA -0.743 60.527 61.300 -0.050 0.000 1.082 136 I CB 1.578 39.490 38.000 -0.147 0.000 1.264 136 I HN 0.767 nan 8.210 nan 0.000 0.429 137 A N 4.728 127.542 122.820 -0.011 0.000 2.640 137 A HA -0.242 4.077 4.320 -0.000 0.000 0.300 137 A C 0.864 178.510 177.584 0.104 0.000 1.499 137 A CA 1.288 53.357 52.037 0.054 0.000 0.759 137 A CB -2.029 17.021 19.000 0.084 0.000 1.048 137 A HN 1.082 nan 8.150 nan 0.000 0.450 138 D N -2.270 118.167 120.400 0.062 0.000 2.811 138 D HA -0.209 4.431 4.640 -0.000 0.000 0.231 138 D C 0.098 176.450 176.300 0.086 0.000 1.157 138 D CA 2.043 56.080 54.000 0.062 0.000 0.716 138 D CB -0.313 40.516 40.800 0.048 0.000 1.077 138 D HN 0.811 nan 8.370 nan 0.000 0.428 139 R N 0.291 120.848 120.500 0.094 0.000 2.686 139 R HA 0.392 4.732 4.340 -0.000 0.000 0.283 139 R C -0.388 175.957 176.300 0.075 0.000 0.978 139 R CA -1.035 55.125 56.100 0.100 0.000 0.897 139 R CB 1.265 31.654 30.300 0.147 0.000 1.192 139 R HN 0.180 nan 8.270 nan 0.000 0.457 140 L N 2.585 123.846 121.223 0.063 0.000 2.462 140 L HA 0.184 4.523 4.340 -0.000 0.000 0.272 140 L C -0.644 176.260 176.870 0.057 0.000 1.166 140 L CA 0.343 55.217 54.840 0.056 0.000 0.880 140 L CB 0.297 42.379 42.059 0.039 0.000 1.142 140 L HN 0.598 nan 8.230 nan 0.000 0.473 141 C N 4.258 123.605 119.300 0.078 0.000 2.507 141 C HA 0.422 4.882 4.460 -0.000 0.000 0.319 141 C C 0.115 175.125 174.990 0.033 0.000 1.208 141 C CA -1.129 57.936 59.018 0.077 0.000 1.619 141 C CB 1.885 29.734 27.740 0.182 0.000 2.230 141 C HN 0.656 nan 8.230 nan 0.000 0.492 142 E N 1.340 121.525 120.200 -0.025 0.000 2.354 142 E HA 0.346 4.695 4.350 -0.000 0.000 0.269 142 E C -0.732 175.772 176.600 -0.160 0.000 1.036 142 E CA 0.042 56.392 56.400 -0.083 0.000 0.876 142 E CB 1.287 30.924 29.700 -0.106 0.000 1.009 142 E HN 0.457 nan 8.360 nan 0.000 0.416 143 V N 4.786 124.554 119.914 -0.244 0.000 2.417 143 V HA 0.468 4.588 4.120 -0.000 0.000 0.291 143 V C 0.211 176.090 176.094 -0.357 0.000 1.024 143 V CA -0.576 61.435 62.300 -0.481 0.000 0.861 143 V CB 0.880 32.341 31.823 -0.603 0.000 0.985 143 V HN 0.463 nan 8.190 nan 0.000 0.436 144 I N 4.653 125.003 120.570 -0.367 0.000 2.534 144 I HA 0.517 4.687 4.170 -0.000 0.000 0.288 144 I C -0.054 175.962 176.117 -0.169 0.000 1.077 144 I CA -0.662 60.501 61.300 -0.229 0.000 1.051 144 I CB 2.195 40.060 38.000 -0.225 0.000 1.234 144 I HN 0.461 nan 8.210 nan 0.000 0.425 145 R N 4.324 124.781 120.500 -0.070 0.000 2.410 145 R HA 0.624 4.964 4.340 -0.000 0.000 0.288 145 R C -1.024 175.370 176.300 0.157 0.000 1.051 145 R CA -0.739 55.380 56.100 0.032 0.000 1.021 145 R CB 1.889 32.213 30.300 0.040 0.000 1.032 145 R HN 0.319 nan 8.270 nan 0.000 0.481 146 V N 4.107 124.177 119.914 0.261 0.000 2.326 146 V HA 0.282 4.402 4.120 -0.000 0.000 0.281 146 V C -0.314 176.069 176.094 0.482 0.000 1.015 146 V CA -0.663 61.899 62.300 0.437 0.000 0.823 146 V CB 1.501 33.581 31.823 0.429 0.000 1.009 146 V HN 0.447 nan 8.190 nan 0.000 0.436 147 V N 3.244 123.410 119.914 0.420 0.000 2.604 147 V HA 0.775 4.895 4.120 -0.000 0.000 0.305 147 V C 0.454 176.654 176.094 0.177 0.000 1.043 147 V CA -0.887 61.599 62.300 0.311 0.000 0.888 147 V CB 2.005 33.915 31.823 0.145 0.000 0.995 147 V HN 0.878 nan 8.190 nan 0.000 0.429 148 A N 3.554 126.336 122.820 -0.063 0.000 2.409 148 A HA 0.415 4.735 4.320 -0.000 0.000 0.267 148 A C 1.197 178.653 177.584 -0.214 0.000 1.127 148 A CA -0.215 51.503 52.037 -0.530 0.000 0.795 148 A CB 0.025 18.714 19.000 -0.518 0.000 1.061 148 A HN 0.920 nan 8.150 nan 0.000 0.502 149 R N 0.907 121.287 120.500 -0.200 0.000 2.127 149 R HA -0.152 4.187 4.340 -0.000 0.000 0.238 149 R C 0.537 176.808 176.300 -0.048 0.000 1.134 149 R CA 1.705 57.751 56.100 -0.090 0.000 0.975 149 R CB -0.003 30.255 30.300 -0.069 0.000 0.865 149 R HN 0.923 nan 8.270 nan 0.000 0.447 150 D N -1.048 119.324 120.400 -0.047 0.000 2.336 150 D HA 0.054 4.693 4.640 -0.000 0.000 0.228 150 D C 0.871 177.183 176.300 0.020 0.000 1.120 150 D CA 0.505 54.507 54.000 0.002 0.000 0.839 150 D CB 0.084 40.899 40.800 0.025 0.000 0.932 150 D HN 0.208 nan 8.370 nan 0.000 0.509 151 G N -0.427 108.373 108.800 -0.000 0.000 2.203 151 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.263 151 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.263 151 G C 0.945 175.855 174.900 0.016 0.000 1.012 151 G CA 0.828 45.936 45.100 0.012 0.000 0.749 151 G HN 0.426 nan 8.290 nan 0.000 0.512 152 T N -1.241 113.321 114.554 0.013 0.000 3.015 152 T HA 0.282 4.632 4.350 -0.000 0.000 0.250 152 T C 1.394 176.058 174.700 -0.060 0.000 1.057 152 T CA 0.994 63.109 62.100 0.026 0.000 1.066 152 T CB 0.227 69.153 68.868 0.096 0.000 0.959 152 T HN 0.506 nan 8.240 nan 0.000 0.488 153 R N -0.546 119.901 120.500 -0.087 0.000 2.939 153 R HA 0.588 4.928 4.340 -0.000 0.000 0.254 153 R C -1.122 175.084 176.300 -0.157 0.000 1.123 153 R CA -0.760 55.187 56.100 -0.255 0.000 1.020 153 R CB 0.445 30.625 30.300 -0.200 0.000 1.206 153 R HN 0.043 nan 8.270 nan 0.000 0.491 154 Y N -0.174 119.953 120.300 -0.287 0.000 2.335 154 Y HA 0.278 4.828 4.550 -0.000 0.000 0.348 154 Y C 1.028 176.955 175.900 0.045 0.000 1.280 154 Y CA -0.647 57.360 58.100 -0.155 0.000 1.504 154 Y CB 0.396 38.722 38.460 -0.224 0.000 1.366 154 Y HN 0.622 nan 8.280 nan 0.000 0.621 155 S N -0.915 114.934 115.700 0.248 0.000 2.667 155 S HA 0.758 5.228 4.470 -0.000 0.000 0.292 155 S C -1.664 172.993 174.600 0.095 0.000 1.126 155 S CA -0.906 57.459 58.200 0.276 0.000 0.881 155 S CB 1.624 64.966 63.200 0.237 0.000 1.132 155 S HN 0.428 nan 8.310 nan 0.000 0.492 156 Y N -0.036 120.432 120.300 0.280 0.000 2.509 156 Y HA 0.708 5.258 4.550 -0.000 0.000 0.341 156 Y C -0.168 175.798 175.900 0.111 0.000 1.038 156 Y CA -1.010 57.202 58.100 0.187 0.000 1.089 156 Y CB 1.869 40.412 38.460 0.137 0.000 1.241 156 Y HN 0.829 nan 8.280 nan 0.000 0.468 157 I N 2.517 123.253 120.570 0.276 0.000 2.498 157 I HA 0.678 4.848 4.170 -0.000 0.000 0.290 157 I C -1.784 174.361 176.117 0.047 0.000 1.032 157 I CA -0.794 60.528 61.300 0.037 0.000 1.073 157 I CB 1.079 39.008 38.000 -0.118 0.000 1.251 157 I HN 0.347 nan 8.210 nan 0.000 0.426 158 V N 6.655 126.492 119.914 -0.128 0.000 2.513 158 V HA 0.437 4.556 4.120 -0.000 0.000 0.299 158 V C -0.758 175.248 176.094 -0.147 0.000 1.035 158 V CA -0.486 61.804 62.300 -0.018 0.000 0.889 158 V CB 1.729 33.478 31.823 -0.124 0.000 0.988 158 V HN 0.659 nan 8.190 nan 0.000 0.440 159 W N 5.726 127.003 121.300 -0.039 0.000 2.376 159 W HA 0.649 5.309 4.660 -0.000 0.000 0.312 159 W C -0.221 176.243 176.519 -0.091 0.000 1.060 159 W CA -0.660 56.654 57.345 -0.052 0.000 1.221 159 W CB 1.827 31.271 29.460 -0.027 0.000 1.281 159 W HN 0.652 nan 8.180 nan 0.000 0.456 160 M N 1.233 120.865 119.600 0.053 0.000 2.311 160 M HA 0.361 4.841 4.480 -0.000 0.000 0.325 160 M C -0.468 175.808 176.300 -0.040 0.000 1.061 160 M CA -0.685 54.589 55.300 -0.044 0.000 0.957 160 M CB 1.760 34.283 32.600 -0.127 0.000 1.646 160 M HN 0.139 nan 8.290 nan 0.000 0.434 161 D N 2.111 122.465 120.400 -0.077 0.000 2.487 161 D HA 0.020 4.659 4.640 -0.000 0.000 0.243 161 D C 0.638 176.920 176.300 -0.030 0.000 1.154 161 D CA 0.688 54.661 54.000 -0.045 0.000 0.876 161 D CB 1.264 42.021 40.800 -0.071 0.000 1.161 161 D HN 0.808 nan 8.370 nan 0.000 0.478 162 T N 2.865 117.418 114.554 -0.001 0.000 2.962 162 T HA -0.088 4.261 4.350 -0.000 0.000 0.270 162 T C 1.277 175.976 174.700 -0.002 0.000 1.088 162 T CA 0.897 62.992 62.100 -0.008 0.000 1.127 162 T CB 0.108 68.978 68.868 0.002 0.000 0.883 162 T HN 0.386 nan 8.240 nan 0.000 0.493 163 E N 0.638 120.852 120.200 0.023 0.000 2.065 163 E HA 0.024 4.374 4.350 -0.000 0.000 0.191 163 E C 2.595 179.211 176.600 0.026 0.000 0.960 163 E CA 1.150 57.568 56.400 0.030 0.000 0.824 163 E CB -0.420 29.312 29.700 0.054 0.000 0.793 163 E HN 0.552 nan 8.360 nan 0.000 0.459 164 S N 0.331 116.058 115.700 0.045 0.000 2.470 164 S HA -0.018 4.452 4.470 -0.000 0.000 0.225 164 S C 0.862 175.434 174.600 -0.047 0.000 1.006 164 S CA 0.480 58.698 58.200 0.030 0.000 0.934 164 S CB 0.127 63.391 63.200 0.108 0.000 0.778 164 S HN 0.048 nan 8.310 nan 0.000 0.517 165 K N -0.244 120.113 120.400 -0.072 0.000 3.547 165 K HA -0.126 4.194 4.320 -0.000 0.000 0.309 165 K C -0.233 176.258 176.600 -0.182 0.000 1.324 165 K CA 0.693 56.910 56.287 -0.117 0.000 0.988 165 K CB -2.655 29.783 32.500 -0.104 0.000 1.261 165 K HN 0.512 nan 8.250 nan 0.000 0.444 166 L N 2.995 124.078 121.223 -0.233 0.000 2.417 166 L HA 0.211 4.551 4.340 -0.000 0.000 0.268 166 L C -1.545 175.148 176.870 -0.295 0.000 1.158 166 L CA -1.788 52.846 54.840 -0.343 0.000 0.819 166 L CB 0.181 41.946 42.059 -0.490 0.000 1.112 166 L HN -0.152 nan 8.230 nan 0.000 0.458 167 P HA 0.009 nan 4.420 nan 0.000 0.271 167 P C -0.102 177.158 177.300 -0.066 0.000 1.226 167 P CA -0.083 62.928 63.100 -0.149 0.000 0.765 167 P CB 1.039 32.606 31.700 -0.221 0.000 0.835 168 M N 2.147 121.734 119.600 -0.022 0.000 2.567 168 M HA 0.157 4.636 4.480 -0.000 0.000 0.261 168 M C 1.045 177.332 176.300 -0.022 0.000 1.180 168 M CA 0.806 56.060 55.300 -0.077 0.000 1.143 168 M CB -0.172 32.376 32.600 -0.087 0.000 1.319 168 M HN 0.429 nan 8.290 nan 0.000 0.490 169 R N -0.109 120.481 120.500 0.150 0.000 2.629 169 R HA 0.591 4.930 4.340 -0.000 0.000 0.266 169 R C -2.126 174.445 176.300 0.450 0.000 1.051 169 R CA -0.305 55.878 56.100 0.138 0.000 0.895 169 R CB 2.320 32.388 30.300 -0.387 0.000 1.246 169 R HN -0.093 nan 8.270 nan 0.000 0.459 170 V N 3.179 123.379 119.914 0.476 0.000 2.610 170 V HA 0.318 4.438 4.120 -0.000 0.000 0.298 170 V C -1.427 174.918 176.094 0.417 0.000 1.067 170 V CA -0.906 61.651 62.300 0.428 0.000 0.894 170 V CB 2.015 33.932 31.823 0.157 0.000 1.015 170 V HN 0.741 nan 8.190 nan 0.000 0.432 171 D N 3.592 124.280 120.400 0.480 0.000 2.192 171 D HA 0.594 5.233 4.640 -0.000 0.000 0.246 171 D C -0.505 175.966 176.300 0.285 0.000 1.042 171 D CA -0.251 53.957 54.000 0.346 0.000 0.847 171 D CB 2.472 43.481 40.800 0.349 0.000 1.186 171 D HN 0.412 nan 8.370 nan 0.000 0.461 172 L N 2.650 123.956 121.223 0.138 0.000 2.282 172 L HA 0.482 4.822 4.340 -0.000 0.000 0.288 172 L C -1.445 175.377 176.870 -0.080 0.000 1.033 172 L CA -0.295 54.486 54.840 -0.098 0.000 0.807 172 L CB 0.588 42.571 42.059 -0.126 0.000 1.209 172 L HN 0.281 nan 8.230 nan 0.000 0.423 173 L N 3.963 125.128 121.223 -0.097 0.000 2.365 173 L HA 0.462 4.802 4.340 -0.000 0.000 0.273 173 L C -0.188 176.606 176.870 -0.126 0.000 1.000 173 L CA -1.122 53.678 54.840 -0.066 0.000 0.819 173 L CB 1.689 43.762 42.059 0.024 0.000 1.284 173 L HN 0.552 nan 8.230 nan 0.000 0.418 174 D N 1.085 121.386 120.400 -0.165 0.000 2.383 174 D HA -0.044 4.596 4.640 -0.000 0.000 0.233 174 D C 1.162 177.489 176.300 0.045 0.000 1.233 174 D CA 0.405 54.342 54.000 -0.105 0.000 0.881 174 D CB 0.883 41.646 40.800 -0.062 0.000 1.212 174 D HN 0.416 nan 8.370 nan 0.000 0.467 175 R N 0.618 121.186 120.500 0.114 0.000 2.237 175 R HA -0.080 4.260 4.340 -0.000 0.000 0.219 175 R C 0.327 176.658 176.300 0.052 0.000 1.080 175 R CA 0.713 56.869 56.100 0.094 0.000 0.995 175 R CB 0.150 30.506 30.300 0.093 0.000 0.875 175 R HN 0.343 nan 8.270 nan 0.000 0.462 176 D N -0.664 119.758 120.400 0.036 0.000 2.342 176 D HA 0.109 4.748 4.640 -0.000 0.000 0.221 176 D C 1.103 177.416 176.300 0.020 0.000 1.101 176 D CA 0.513 54.527 54.000 0.023 0.000 0.837 176 D CB 0.799 41.608 40.800 0.015 0.000 0.938 176 D HN 0.356 nan 8.370 nan 0.000 0.508 177 G N 0.847 109.662 108.800 0.023 0.000 2.184 177 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.264 177 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.264 177 G C 0.225 175.135 174.900 0.017 0.000 0.975 177 G CA -0.144 44.972 45.100 0.027 0.000 0.642 177 G HN 0.217 nan 8.290 nan 0.000 0.536 178 E N 1.144 121.343 120.200 -0.002 0.000 2.360 178 E HA 0.365 4.715 4.350 -0.000 0.000 0.269 178 E C 0.682 177.266 176.600 -0.027 0.000 1.022 178 E CA 0.497 56.890 56.400 -0.011 0.000 0.887 178 E CB 1.119 30.805 29.700 -0.023 0.000 0.990 178 E HN 0.323 nan 8.360 nan 0.000 0.426 179 T N 2.749 117.300 114.554 -0.006 0.000 2.761 179 T HA 0.235 4.585 4.350 -0.000 0.000 0.296 179 T C 1.238 175.920 174.700 -0.030 0.000 0.934 179 T CA -0.418 61.679 62.100 -0.004 0.000 1.091 179 T CB 0.147 69.040 68.868 0.042 0.000 0.896 179 T HN 0.389 nan 8.240 nan 0.000 0.515 180 L N 2.999 124.180 121.223 -0.069 0.000 2.249 180 L HA 0.430 4.770 4.340 -0.000 0.000 0.207 180 L C 1.203 178.069 176.870 -0.007 0.000 1.090 180 L CA 0.483 55.275 54.840 -0.081 0.000 0.802 180 L CB 0.103 42.045 42.059 -0.194 0.000 0.947 180 L HN 0.711 nan 8.230 nan 0.000 0.453 181 E N -0.657 119.561 120.200 0.031 0.000 2.375 181 E HA 0.289 4.639 4.350 -0.000 0.000 0.280 181 E C -1.428 175.250 176.600 0.131 0.000 0.972 181 E CA -0.516 55.938 56.400 0.090 0.000 0.782 181 E CB 1.835 31.608 29.700 0.120 0.000 1.229 181 E HN -0.063 nan 8.360 nan 0.000 0.439 182 Q N 3.581 123.470 119.800 0.148 0.000 2.305 182 Q HA 0.450 4.790 4.340 -0.000 0.000 0.271 182 Q C -1.984 174.151 176.000 0.227 0.000 1.046 182 Q CA -0.776 55.125 55.803 0.163 0.000 0.798 182 Q CB 1.369 30.156 28.738 0.082 0.000 1.286 182 Q HN 0.512 nan 8.270 nan 0.000 0.435 183 F N 3.942 123.936 119.950 0.074 0.000 2.427 183 F HA 0.611 5.138 4.527 -0.000 0.000 0.348 183 F C -1.293 174.520 175.800 0.021 0.000 1.125 183 F CA -0.523 57.524 58.000 0.077 0.000 0.989 183 F CB 1.071 40.071 39.000 0.001 0.000 1.165 183 F HN 0.457 nan 8.300 nan 0.000 0.442 184 R N 6.395 126.611 120.500 -0.473 0.000 2.502 184 R HA 0.524 4.864 4.340 -0.000 0.000 0.300 184 R C -1.330 174.684 176.300 -0.477 0.000 0.984 184 R CA -0.898 54.931 56.100 -0.451 0.000 0.882 184 R CB 1.899 32.055 30.300 -0.240 0.000 1.180 184 R HN 0.685 nan 8.270 nan 0.000 0.444 185 V N 4.369 124.001 119.914 -0.471 0.000 2.614 185 V HA 0.223 4.343 4.120 -0.000 0.000 0.291 185 V C 0.533 176.579 176.094 -0.080 0.000 1.049 185 V CA -0.154 62.015 62.300 -0.220 0.000 1.038 185 V CB 1.088 32.808 31.823 -0.171 0.000 0.980 185 V HN 0.748 nan 8.190 nan 0.000 0.481 186 I N 3.828 124.403 120.570 0.008 0.000 3.445 186 I HA 0.530 4.700 4.170 -0.000 0.000 0.288 186 I C 1.037 177.202 176.117 0.080 0.000 1.198 186 I CA 1.017 62.328 61.300 0.018 0.000 1.417 186 I CB -0.167 37.834 38.000 0.001 0.000 1.205 186 I HN 0.916 nan 8.210 nan 0.000 0.448 187 A N 1.038 123.941 122.820 0.138 0.000 2.549 187 A HA 0.698 5.018 4.320 -0.000 0.000 0.297 187 A C -1.347 176.426 177.584 0.316 0.000 1.061 187 A CA -0.352 51.794 52.037 0.181 0.000 0.690 187 A CB 1.659 20.715 19.000 0.094 0.000 1.287 187 A HN 0.141 nan 8.150 nan 0.000 0.402 188 F N 0.460 120.447 119.950 0.060 0.000 2.686 188 F HA 0.817 5.343 4.527 -0.000 0.000 0.311 188 F C -1.064 174.783 175.800 0.078 0.000 1.128 188 F CA -1.101 56.955 58.000 0.093 0.000 0.946 188 F CB 1.210 40.274 39.000 0.106 0.000 1.336 188 F HN 0.745 nan 8.300 nan 0.000 0.457 189 N N 0.567 119.241 118.700 -0.043 0.000 2.284 189 N HA 0.742 5.481 4.740 -0.000 0.000 0.289 189 N C -1.831 173.734 175.510 0.092 0.000 1.179 189 N CA -0.670 52.258 53.050 -0.203 0.000 0.774 189 N CB 2.614 41.046 38.487 -0.091 0.000 1.548 189 N HN 1.003 nan 8.380 nan 0.000 0.473 190 V N -1.971 117.972 119.914 0.048 0.000 2.925 190 V HA 0.641 4.760 4.120 -0.000 0.000 0.311 190 V C 0.075 176.237 176.094 0.112 0.000 1.104 190 V CA -0.863 61.556 62.300 0.197 0.000 0.954 190 V CB 1.055 33.037 31.823 0.265 0.000 1.022 190 V HN 1.041 nan 8.190 nan 0.000 0.427 191 N N -0.483 118.301 118.700 0.139 0.000 2.936 191 N HA -0.202 4.537 4.740 -0.000 0.000 0.236 191 N C 0.210 175.752 175.510 0.053 0.000 0.930 191 N CA 1.287 54.390 53.050 0.089 0.000 0.966 191 N CB -0.778 37.749 38.487 0.067 0.000 1.090 191 N HN 0.903 nan 8.380 nan 0.000 0.592 192 Q N 1.506 121.335 119.800 0.049 0.000 2.354 192 Q HA 0.217 4.557 4.340 -0.000 0.000 0.244 192 Q C -0.620 175.390 176.000 0.017 0.000 0.969 192 Q CA -0.061 55.755 55.803 0.021 0.000 0.885 192 Q CB 0.590 29.335 28.738 0.012 0.000 1.241 192 Q HN 0.054 nan 8.270 nan 0.000 0.461 193 D N 1.311 121.712 120.400 0.003 0.000 2.525 193 D HA -0.011 4.629 4.640 -0.000 0.000 0.235 193 D C -0.250 176.041 176.300 -0.015 0.000 1.137 193 D CA 0.382 54.379 54.000 -0.006 0.000 0.868 193 D CB 0.220 41.014 40.800 -0.010 0.000 1.180 193 D HN 0.402 nan 8.370 nan 0.000 0.465 194 I N 1.684 122.239 120.570 -0.025 0.000 2.828 194 I HA -0.118 4.052 4.170 -0.000 0.000 0.292 194 I C 1.270 177.361 176.117 -0.044 0.000 1.206 194 I CA 0.158 61.430 61.300 -0.046 0.000 1.420 194 I CB -0.067 37.898 38.000 -0.057 0.000 1.368 194 I HN 0.259 nan 8.210 nan 0.000 0.556 195 S N 4.002 119.672 115.700 -0.051 0.000 2.573 195 S HA 0.013 4.483 4.470 -0.000 0.000 0.277 195 S C 1.374 175.945 174.600 -0.048 0.000 1.346 195 S CA -0.148 58.025 58.200 -0.045 0.000 1.034 195 S CB 1.103 64.274 63.200 -0.048 0.000 0.879 195 S HN 0.785 nan 8.310 nan 0.000 0.528 196 S N 1.432 117.107 115.700 -0.041 0.000 2.447 196 S HA -0.107 4.363 4.470 -0.000 0.000 0.233 196 S C 1.893 176.464 174.600 -0.049 0.000 1.006 196 S CA 0.953 59.129 58.200 -0.041 0.000 0.957 196 S CB -0.882 62.298 63.200 -0.033 0.000 0.773 196 S HN 0.843 nan 8.310 nan 0.000 0.507 197 S N 1.127 116.794 115.700 -0.054 0.000 2.368 197 S HA 0.030 4.500 4.470 -0.000 0.000 0.224 197 S C 1.982 176.535 174.600 -0.079 0.000 1.029 197 S CA 1.109 59.269 58.200 -0.067 0.000 0.988 197 S CB -0.424 62.736 63.200 -0.067 0.000 0.838 197 S HN 0.454 nan 8.310 nan 0.000 0.462 198 M N 0.970 120.521 119.600 -0.081 0.000 2.254 198 M HA 0.039 4.519 4.480 -0.000 0.000 0.265 198 M C 2.250 178.500 176.300 -0.083 0.000 1.066 198 M CA 1.073 56.315 55.300 -0.095 0.000 1.123 198 M CB -1.019 31.515 32.600 -0.110 0.000 1.388 198 M HN 0.435 nan 8.290 nan 0.000 0.425 199 Q N -0.643 119.116 119.800 -0.068 0.000 2.119 199 Q HA -0.088 4.251 4.340 -0.000 0.000 0.201 199 Q C 1.925 177.894 176.000 -0.052 0.000 0.972 199 Q CA 1.590 57.359 55.803 -0.056 0.000 0.847 199 Q CB -0.298 28.413 28.738 -0.046 0.000 0.903 199 Q HN 0.480 nan 8.270 nan 0.000 0.433 200 T N 2.270 116.791 114.554 -0.054 0.000 2.746 200 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 200 T C 1.917 176.584 174.700 -0.055 0.000 1.039 200 T CA 0.951 63.021 62.100 -0.051 0.000 1.142 200 T CB -0.313 68.521 68.868 -0.056 0.000 0.866 200 T HN 0.262 nan 8.240 nan 0.000 0.444 201 L N 0.923 122.104 121.223 -0.070 0.000 2.046 201 L HA -0.103 4.236 4.340 -0.000 0.000 0.208 201 L C 2.756 179.594 176.870 -0.053 0.000 1.077 201 L CA 1.644 56.441 54.840 -0.072 0.000 0.747 201 L CB -0.661 41.342 42.059 -0.093 0.000 0.896 201 L HN 0.281 nan 8.230 nan 0.000 0.432 202 A N 0.175 122.961 122.820 -0.057 0.000 1.927 202 A HA -0.295 4.025 4.320 -0.000 0.000 0.220 202 A C 2.209 179.774 177.584 -0.032 0.000 1.185 202 A CA 2.449 54.457 52.037 -0.048 0.000 0.639 202 A CB -0.477 18.493 19.000 -0.050 0.000 0.820 202 A HN 0.593 nan 8.150 nan 0.000 0.451 203 K N -0.881 119.502 120.400 -0.029 0.000 2.367 203 K HA 0.407 4.727 4.320 -0.000 0.000 0.194 203 K C 0.735 177.327 176.600 -0.012 0.000 1.027 203 K CA 0.217 56.493 56.287 -0.019 0.000 1.075 203 K CB 0.173 32.661 32.500 -0.020 0.000 0.845 203 K HN 0.468 nan 8.250 nan 0.000 0.529 204 A N 2.027 124.838 122.820 -0.015 0.000 2.448 204 A HA 0.056 4.376 4.320 -0.000 0.000 0.239 204 A C -0.185 177.409 177.584 0.017 0.000 1.080 204 A CA -0.167 51.868 52.037 -0.004 0.000 0.779 204 A CB 0.100 19.090 19.000 -0.016 0.000 1.026 204 A HN 0.260 nan 8.150 nan 0.000 0.499 205 N N 1.332 120.050 118.700 0.031 0.000 2.411 205 N HA 0.233 4.973 4.740 -0.000 0.000 0.259 205 N C -0.978 174.580 175.510 0.079 0.000 1.103 205 N CA -0.354 52.722 53.050 0.045 0.000 0.954 205 N CB 0.790 39.303 38.487 0.042 0.000 1.085 205 N HN 0.359 nan 8.380 nan 0.000 0.485 206 L N 3.511 124.776 121.223 0.070 0.000 2.334 206 L HA 0.459 4.799 4.340 -0.000 0.000 0.277 206 L C -1.705 175.197 176.870 0.053 0.000 1.075 206 L CA -1.813 53.081 54.840 0.090 0.000 0.804 206 L CB -0.027 42.071 42.059 0.065 0.000 1.174 206 L HN 0.217 nan 8.230 nan 0.000 0.438 207 P HA 0.044 nan 4.420 nan 0.000 0.264 207 P C -2.424 174.883 177.300 0.012 0.000 1.179 207 P CA -0.489 62.600 63.100 -0.019 0.000 0.763 207 P CB -0.278 31.342 31.700 -0.133 0.000 0.806 208 P HA 0.088 nan 4.420 nan 0.000 0.271 208 P C -0.287 177.041 177.300 0.048 0.000 1.216 208 P CA -0.365 62.754 63.100 0.032 0.000 0.771 208 P CB 0.317 32.034 31.700 0.028 0.000 0.864 209 L N 4.121 125.371 121.223 0.045 0.000 2.615 209 L HA 0.008 4.348 4.340 -0.000 0.000 0.284 209 L C -0.298 176.605 176.870 0.056 0.000 1.237 209 L CA 0.386 55.260 54.840 0.056 0.000 0.905 209 L CB -0.197 41.886 42.059 0.039 0.000 1.149 209 L HN 0.290 nan 8.230 nan 0.000 0.499 210 L N 6.544 127.812 121.223 0.075 0.000 2.301 210 L HA 0.433 4.773 4.340 -0.000 0.000 0.278 210 L C 0.364 177.248 176.870 0.023 0.000 1.022 210 L CA 0.124 54.993 54.840 0.047 0.000 0.854 210 L CB 0.476 42.569 42.059 0.057 0.000 1.226 210 L HN 1.063 nan 8.230 nan 0.000 0.429 217 K N 1.564 121.957 120.400 -0.011 0.000 2.166 217 K HA 0.766 5.086 4.320 -0.000 0.000 0.273 217 K C -0.184 176.363 176.600 -0.087 0.000 1.095 217 K CA 0.338 56.595 56.287 -0.050 0.000 0.985 217 K CB 0.288 32.759 32.500 -0.049 0.000 1.172 217 K HN 0.490 nan 8.250 nan 0.000 0.401 218 A N 1.243 123.971 122.820 -0.154 0.000 2.609 218 A HA 0.780 5.100 4.320 -0.000 0.000 0.291 218 A C -0.980 176.249 177.584 -0.592 0.000 1.096 218 A CA -0.951 50.943 52.037 -0.239 0.000 0.684 218 A CB 1.675 20.624 19.000 -0.085 0.000 1.282 218 A HN 0.935 nan 8.150 nan 0.000 0.412 219 K N 0.035 120.088 120.400 -0.578 0.000 2.316 219 K HA 0.885 5.205 4.320 -0.000 0.000 0.251 219 K C -1.283 174.952 176.600 -0.608 0.000 0.934 219 K CA -0.633 55.200 56.287 -0.756 0.000 0.802 219 K CB 1.146 33.410 32.500 -0.394 0.000 1.171 219 K HN 0.698 nan 8.250 nan 0.000 0.426 220 F N -0.570 119.227 119.950 -0.255 0.000 2.585 220 F HA 0.552 5.079 4.527 -0.000 0.000 0.350 220 F C 1.477 177.130 175.800 -0.245 0.000 1.074 220 F CA -1.742 56.091 58.000 -0.279 0.000 1.032 220 F CB 1.590 40.210 39.000 -0.634 0.000 1.330 220 F HN 0.581 nan 8.300 nan 0.000 0.495 221 S N 0.395 116.181 115.700 0.145 0.000 2.605 221 S HA 0.076 4.546 4.470 -0.000 0.000 0.217 221 S C -0.884 173.816 174.600 0.167 0.000 0.958 221 S CA -0.274 58.027 58.200 0.169 0.000 0.919 221 S CB -0.538 62.836 63.200 0.290 0.000 0.780 221 S HN 0.535 nan 8.310 nan 0.000 0.507 222 W N 0.651 121.947 121.300 -0.007 0.000 3.127 222 W HA 0.676 5.336 4.660 -0.000 0.000 0.330 222 W C -0.967 175.485 176.519 -0.111 0.000 1.187 222 W CA -0.913 56.271 57.345 -0.267 0.000 1.198 222 W CB 0.622 29.634 29.460 -0.746 0.000 1.408 222 W HN -0.032 nan 8.180 nan 0.000 0.529 223 T N -0.075 114.539 114.554 0.101 0.000 2.900 223 T HA 0.563 4.913 4.350 -0.000 0.000 0.303 223 T C -3.002 171.812 174.700 0.189 0.000 1.142 223 T CA -1.905 60.263 62.100 0.114 0.000 1.007 223 T CB 2.425 71.304 68.868 0.019 0.000 1.156 223 T HN 0.320 nan 8.240 nan 0.000 0.490 224 P HA 0.260 nan 4.420 nan 0.000 0.276 224 P C 0.492 177.841 177.300 0.081 0.000 1.235 224 P CA -0.227 62.950 63.100 0.129 0.000 0.772 224 P CB 0.958 32.696 31.700 0.064 0.000 0.871 225 T N 0.360 114.976 114.554 0.103 0.000 3.067 225 T HA 0.036 4.385 4.350 -0.000 0.000 0.257 225 T C -0.047 174.744 174.700 0.151 0.000 1.105 225 T CA 0.590 62.753 62.100 0.106 0.000 1.104 225 T CB -0.181 68.755 68.868 0.113 0.000 0.925 225 T HN 0.487 nan 8.240 nan 0.000 0.498 226 W N 1.629 122.907 121.300 -0.036 0.000 2.647 226 W HA 0.633 5.293 4.660 -0.000 0.000 0.328 226 W C -2.075 174.388 176.519 -0.094 0.000 1.018 226 W CA -1.020 56.292 57.345 -0.055 0.000 1.245 226 W CB 0.875 30.300 29.460 -0.057 0.000 1.356 226 W HN -0.082 nan 8.180 nan 0.000 0.443 227 L N 7.798 128.520 121.223 -0.835 0.000 2.381 227 L HA 0.589 4.929 4.340 -0.000 0.000 0.268 227 L C -1.925 174.214 176.870 -1.220 0.000 0.997 227 L CA -2.284 52.049 54.840 -0.845 0.000 0.818 227 L CB 2.053 43.856 42.059 -0.426 0.000 1.310 227 L HN 0.239 nan 8.230 nan 0.000 0.416 228 P HA -0.025 nan 4.420 nan 0.000 0.267 228 P C -1.231 175.925 177.300 -0.240 0.000 1.200 228 P CA -0.337 62.454 63.100 -0.515 0.000 0.772 228 P CB 0.288 31.995 31.700 0.012 0.000 0.855 229 Q N 1.683 121.347 119.800 -0.226 0.000 2.255 229 Q HA 0.334 4.674 4.340 -0.000 0.000 0.280 229 Q C 0.666 176.412 176.000 -0.422 0.000 1.068 229 Q CA 0.306 55.968 55.803 -0.235 0.000 0.911 229 Q CB -0.322 28.337 28.738 -0.130 0.000 1.157 229 Q HN 0.762 nan 8.270 nan 0.000 0.380 230 G N 3.005 111.427 108.800 -0.630 0.000 2.617 230 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.197 230 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.197 230 G C -0.293 174.167 174.900 -0.733 0.000 1.017 230 G CA -0.537 43.725 45.100 -1.397 0.000 0.713 230 G HN 0.562 nan 8.290 nan 0.000 0.481 231 F N 2.665 122.442 119.950 -0.289 0.000 2.459 231 F HA 0.543 5.070 4.527 -0.000 0.000 0.346 231 F C 1.075 176.873 175.800 -0.003 0.000 1.128 231 F CA 0.932 58.893 58.000 -0.065 0.000 1.268 231 F CB 1.655 40.664 39.000 0.014 0.000 1.161 231 F HN 0.363 nan 8.300 nan 0.000 0.583 232 S N 1.435 117.325 115.700 0.316 0.000 2.550 232 S HA 0.316 4.786 4.470 -0.000 0.000 0.270 232 S C -1.057 173.653 174.600 0.184 0.000 1.145 232 S CA -1.199 57.156 58.200 0.258 0.000 0.852 232 S CB 1.510 64.767 63.200 0.096 0.000 1.119 232 S HN 0.674 nan 8.310 nan 0.000 0.465 233 E N 0.822 121.013 120.200 -0.014 0.000 2.414 233 E HA 0.272 4.621 4.350 -0.000 0.000 0.263 233 E C 0.118 176.568 176.600 -0.251 0.000 1.000 233 E CA -0.306 55.815 56.400 -0.465 0.000 0.914 233 E CB 0.695 30.119 29.700 -0.460 0.000 0.948 233 E HN 0.522 nan 8.360 nan 0.000 0.444 234 V N 2.871 122.619 119.914 -0.278 0.000 2.788 234 V HA 0.055 4.174 4.120 -0.000 0.000 0.241 234 V C 0.249 176.260 176.094 -0.140 0.000 1.083 234 V CA 1.037 63.249 62.300 -0.147 0.000 1.103 234 V CB 0.453 32.218 31.823 -0.097 0.000 0.800 234 V HN 0.780 nan 8.190 nan 0.000 0.476 235 S N -1.375 114.223 115.700 -0.170 0.000 2.588 235 S HA 0.658 5.128 4.470 -0.000 0.000 0.269 235 S C -1.006 173.530 174.600 -0.107 0.000 1.157 235 S CA -0.588 57.540 58.200 -0.119 0.000 0.824 235 S CB 2.193 65.352 63.200 -0.068 0.000 1.126 235 S HN 0.104 nan 8.310 nan 0.000 0.464 236 S N 1.127 116.786 115.700 -0.069 0.000 2.536 236 S HA 0.960 5.430 4.470 -0.000 0.000 0.298 236 S C -0.915 173.751 174.600 0.111 0.000 1.083 236 S CA -0.718 57.508 58.200 0.044 0.000 0.995 236 S CB 1.598 64.700 63.200 -0.164 0.000 1.058 236 S HN 1.326 nan 8.310 nan 0.000 0.488 237 S N 1.252 117.130 115.700 0.296 0.000 2.537 237 S HA 0.663 5.133 4.470 -0.000 0.000 0.270 237 S C -1.134 173.650 174.600 0.307 0.000 1.142 237 S CA -1.103 57.232 58.200 0.225 0.000 0.870 237 S CB 1.628 64.896 63.200 0.114 0.000 1.112 237 S HN 0.741 nan 8.310 nan 0.000 0.466 238 R N 1.197 121.843 120.500 0.244 0.000 2.387 238 R HA 0.638 4.977 4.340 -0.000 0.000 0.314 238 R C -1.118 175.247 176.300 0.108 0.000 0.958 238 R CA -0.561 55.658 56.100 0.197 0.000 0.846 238 R CB 0.736 31.181 30.300 0.242 0.000 1.147 238 R HN 0.625 nan 8.270 nan 0.000 0.447 239 R N 4.585 125.130 120.500 0.076 0.000 2.628 239 R HA 0.412 4.752 4.340 -0.000 0.000 0.288 239 R C -2.714 173.609 176.300 0.037 0.000 0.980 239 R CA -2.434 53.696 56.100 0.049 0.000 0.891 239 R CB 1.980 32.304 30.300 0.040 0.000 1.188 239 R HN 0.596 nan 8.270 nan 0.000 0.450 240 P HA 0.148 nan 4.420 nan 0.000 0.276 240 P C 0.015 177.324 177.300 0.014 0.000 1.243 240 P CA -0.172 62.941 63.100 0.022 0.000 0.768 240 P CB 0.686 32.397 31.700 0.019 0.000 0.856 241 L N 6.023 127.253 121.223 0.011 0.000 2.467 241 L HA 0.140 4.480 4.340 -0.000 0.000 0.270 241 L C -1.145 175.726 176.870 0.003 0.000 1.205 241 L CA -1.616 53.227 54.840 0.005 0.000 0.828 241 L CB -0.103 41.957 42.059 0.002 0.000 1.101 241 L HN 0.272 nan 8.230 nan 0.000 0.479 242 P HA 0.065 nan 4.420 nan 0.000 0.226 242 P C -0.674 176.624 177.300 -0.002 0.000 1.783 242 P CA -0.094 63.005 63.100 -0.002 0.000 0.980 242 P CB -0.520 31.177 31.700 -0.005 0.000 1.967 243 T N -3.019 111.534 114.554 -0.001 0.000 2.916 243 T HA 0.388 4.738 4.350 -0.000 0.000 0.292 243 T C 1.403 176.103 174.700 -0.001 0.000 1.064 243 T CA -0.922 61.177 62.100 -0.001 0.000 1.011 243 T CB 1.182 70.049 68.868 -0.002 0.000 1.152 243 T HN -0.231 nan 8.240 nan 0.000 0.510 244 M N 1.470 121.069 119.600 -0.001 0.000 2.082 244 M HA -0.021 4.459 4.480 -0.000 0.000 0.258 244 M C 0.732 177.032 176.300 0.001 0.000 1.069 244 M CA 1.451 56.751 55.300 -0.000 0.000 1.102 244 M CB -1.317 31.282 32.600 -0.001 0.000 1.336 244 M HN 0.838 nan 8.290 nan 0.000 0.404 245 D N 0.383 120.784 120.400 0.001 0.000 2.345 245 D HA 0.042 4.682 4.640 -0.000 0.000 0.247 245 D C -0.520 175.783 176.300 0.005 0.000 1.108 245 D CA -0.199 53.803 54.000 0.003 0.000 0.894 245 D CB -0.071 40.730 40.800 0.002 0.000 1.203 245 D HN 0.160 nan 8.370 nan 0.000 0.430 246 N N 1.234 119.939 118.700 0.008 0.000 3.111 246 N HA 0.051 4.791 4.740 -0.000 0.000 0.302 246 N C 0.193 175.711 175.510 0.014 0.000 1.317 246 N CA -0.222 52.834 53.050 0.011 0.000 1.151 246 N CB -0.161 38.334 38.487 0.012 0.000 1.456 246 N HN 0.447 nan 8.380 nan 0.000 0.547 247 M N 2.451 122.058 119.600 0.010 0.000 2.356 247 M HA 0.104 4.583 4.480 -0.000 0.000 0.348 247 M C -2.236 174.073 176.300 0.016 0.000 1.595 247 M CA -1.131 54.176 55.300 0.011 0.000 1.095 247 M CB 0.534 33.136 32.600 0.003 0.000 1.963 247 M HN 0.111 nan 8.290 nan 0.000 0.459 248 P HA 0.155 nan 4.420 nan 0.000 0.272 248 P C -1.133 176.179 177.300 0.019 0.000 1.223 248 P CA 0.013 63.134 63.100 0.034 0.000 0.784 248 P CB 0.951 32.685 31.700 0.057 0.000 0.923 249 I N 0.891 121.470 120.570 0.016 0.000 2.498 249 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 249 I C -0.391 175.716 176.117 -0.017 0.000 1.032 249 I CA -0.782 60.512 61.300 -0.009 0.000 1.073 249 I CB 1.756 39.751 38.000 -0.009 0.000 1.251 249 I HN 0.240 nan 8.210 nan 0.000 0.426 250 E N 5.438 125.589 120.200 -0.082 0.000 2.151 250 E HA 0.466 4.816 4.350 -0.000 0.000 0.275 250 E C -1.181 175.351 176.600 -0.113 0.000 0.936 250 E CA -0.659 55.593 56.400 -0.246 0.000 0.777 250 E CB 1.712 31.085 29.700 -0.544 0.000 1.108 250 E HN 0.483 nan 8.360 nan 0.000 0.401 251 S N 2.928 118.617 115.700 -0.019 0.000 2.532 251 S HA 0.456 4.926 4.470 -0.000 0.000 0.299 251 S C -0.380 174.376 174.600 0.259 0.000 1.105 251 S CA -0.928 57.362 58.200 0.150 0.000 1.018 251 S CB 1.446 64.714 63.200 0.113 0.000 1.021 251 S HN 0.344 nan 8.310 nan 0.000 0.483 252 R N 1.565 122.251 120.500 0.310 0.000 2.343 252 R HA 0.417 4.757 4.340 -0.000 0.000 0.320 252 R C -1.272 175.017 176.300 -0.019 0.000 0.956 252 R CA -0.893 55.285 56.100 0.129 0.000 0.836 252 R CB 1.320 31.722 30.300 0.171 0.000 1.151 252 R HN 0.429 nan 8.270 nan 0.000 0.450 253 L N 4.358 125.478 121.223 -0.172 0.000 2.265 253 L HA 0.330 4.670 4.340 -0.000 0.000 0.288 253 L C -1.353 175.251 176.870 -0.445 0.000 1.058 253 L CA -0.208 54.515 54.840 -0.196 0.000 0.809 253 L CB 0.262 42.263 42.059 -0.096 0.000 1.179 253 L HN 0.432 nan 8.230 nan 0.000 0.429 254 Y N 3.194 123.249 120.300 -0.409 0.000 2.446 254 Y HA 0.688 5.238 4.550 -0.000 0.000 0.338 254 Y C 0.406 176.188 175.900 -0.197 0.000 1.055 254 Y CA -0.173 57.665 58.100 -0.437 0.000 1.101 254 Y CB 2.204 40.069 38.460 -0.991 0.000 1.221 254 Y HN 0.659 nan 8.280 nan 0.000 0.460 255 S N 0.560 116.428 115.700 0.279 0.000 2.579 255 S HA 0.330 4.799 4.470 -0.000 0.000 0.272 255 S C -0.916 173.824 174.600 0.234 0.000 1.141 255 S CA -0.771 57.649 58.200 0.366 0.000 0.843 255 S CB 1.129 64.438 63.200 0.181 0.000 1.122 255 S HN 0.773 nan 8.310 nan 0.000 0.468 256 D N 0.694 121.052 120.400 -0.069 0.000 2.501 256 D HA 0.322 4.962 4.640 -0.000 0.000 0.224 256 D C 1.189 177.502 176.300 0.022 0.000 1.202 256 D CA 0.565 54.392 54.000 -0.288 0.000 0.829 256 D CB -0.036 40.206 40.800 -0.929 0.000 1.023 256 D HN 1.148 nan 8.370 nan 0.000 0.499 257 G N 0.020 108.830 108.800 0.018 0.000 2.217 257 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.246 257 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.246 257 G C 0.448 175.266 174.900 -0.137 0.000 0.990 257 G CA 0.510 45.587 45.100 -0.037 0.000 0.627 257 G HN 0.443 nan 8.290 nan 0.000 0.522 258 L N -1.420 119.730 121.223 -0.122 0.000 2.658 258 L HA 0.714 5.054 4.340 -0.000 0.000 0.201 258 L C 0.218 176.939 176.870 -0.247 0.000 1.050 258 L CA 0.285 54.945 54.840 -0.301 0.000 0.893 258 L CB 0.258 42.027 42.059 -0.483 0.000 1.503 258 L HN 0.107 nan 8.230 nan 0.000 0.485 259 F N 0.415 120.505 119.950 0.233 0.000 2.470 259 F HA 0.630 5.157 4.527 -0.000 0.000 0.329 259 F C 0.368 176.447 175.800 0.464 0.000 1.072 259 F CA -0.291 57.926 58.000 0.362 0.000 0.989 259 F CB 1.908 41.180 39.000 0.454 0.000 1.193 259 F HN 0.058 nan 8.300 nan 0.000 0.481 260 S N 2.214 118.303 115.700 0.648 0.000 2.564 260 S HA 0.881 5.350 4.470 -0.000 0.000 0.274 260 S C -1.273 173.605 174.600 0.462 0.000 1.124 260 S CA -0.686 57.813 58.200 0.499 0.000 0.869 260 S CB 2.102 65.476 63.200 0.289 0.000 1.105 260 S HN 0.684 nan 8.310 nan 0.000 0.472 261 F N -0.888 119.200 119.950 0.230 0.000 2.686 261 F HA 0.870 5.397 4.527 -0.000 0.000 0.311 261 F C -0.864 175.030 175.800 0.157 0.000 1.128 261 F CA -0.764 57.315 58.000 0.130 0.000 0.946 261 F CB 1.133 40.137 39.000 0.008 0.000 1.336 261 F HN 0.797 nan 8.300 nan 0.000 0.457 262 S N 0.577 116.455 115.700 0.297 0.000 2.532 262 S HA 0.821 5.291 4.470 -0.000 0.000 0.301 262 S C -1.369 173.443 174.600 0.354 0.000 1.083 262 S CA -0.784 57.549 58.200 0.222 0.000 1.025 262 S CB 1.670 64.957 63.200 0.145 0.000 1.056 262 S HN 0.763 nan 8.310 nan 0.000 0.494 263 V N 2.968 123.098 119.914 0.360 0.000 2.350 263 V HA 0.419 4.539 4.120 -0.000 0.000 0.276 263 V C -0.884 175.304 176.094 0.156 0.000 1.028 263 V CA -0.710 61.766 62.300 0.293 0.000 0.860 263 V CB 0.391 32.478 31.823 0.440 0.000 0.990 263 V HN 0.899 nan 8.190 nan 0.000 0.453 264 N N 3.741 122.447 118.700 0.009 0.000 2.392 264 N HA 0.643 5.383 4.740 -0.000 0.000 0.283 264 N C -0.886 174.484 175.510 -0.234 0.000 1.003 264 N CA -0.438 52.571 53.050 -0.069 0.000 0.892 264 N CB 2.273 40.751 38.487 -0.015 0.000 1.193 264 N HN 0.383 nan 8.380 nan 0.000 0.487 265 V N 1.963 121.660 119.914 -0.363 0.000 2.513 265 V HA 0.627 4.747 4.120 -0.000 0.000 0.299 265 V C -0.500 175.468 176.094 -0.210 0.000 1.035 265 V CA -0.756 61.284 62.300 -0.433 0.000 0.889 265 V CB 1.272 32.530 31.823 -0.942 0.000 0.988 265 V HN 0.989 nan 8.190 nan 0.000 0.440 266 N N 2.240 120.856 118.700 -0.140 0.000 2.484 266 N HA 0.411 5.151 4.740 -0.000 0.000 0.269 266 N C -0.820 174.653 175.510 -0.063 0.000 1.237 266 N CA -1.069 51.936 53.050 -0.075 0.000 0.838 266 N CB 1.320 39.775 38.487 -0.052 0.000 1.593 266 N HN 0.464 nan 8.380 nan 0.000 0.485 267 R N 0.529 121.006 120.500 -0.039 0.000 2.504 267 R HA 0.244 4.584 4.340 -0.000 0.000 0.291 267 R C -0.030 176.240 176.300 -0.049 0.000 0.974 267 R CA 0.203 56.278 56.100 -0.041 0.000 1.077 267 R CB -0.049 30.239 30.300 -0.021 0.000 0.926 267 R HN 0.736 nan 8.270 nan 0.000 0.407 268 A N 3.285 126.067 122.820 -0.064 0.000 2.425 268 A HA 0.239 4.559 4.320 -0.000 0.000 0.242 268 A C 0.327 177.884 177.584 -0.045 0.000 1.077 268 A CA 0.079 52.081 52.037 -0.059 0.000 0.781 268 A CB 0.552 19.508 19.000 -0.073 0.000 1.020 268 A HN 0.815 nan 8.150 nan 0.000 0.494 269 T N -1.319 113.213 114.554 -0.038 0.000 2.907 269 T HA 0.668 5.017 4.350 -0.000 0.000 0.290 269 T C -2.024 172.659 174.700 -0.030 0.000 1.066 269 T CA -1.380 60.702 62.100 -0.030 0.000 1.012 269 T CB 1.686 70.540 68.868 -0.024 0.000 1.184 269 T HN 0.355 nan 8.240 nan 0.000 0.522 270 P HA -0.002 nan 4.420 nan 0.000 0.221 270 P C 1.194 178.481 177.300 -0.022 0.000 1.145 270 P CA 0.722 63.808 63.100 -0.023 0.000 0.795 270 P CB 0.004 31.692 31.700 -0.019 0.000 0.775 271 S N -0.994 114.693 115.700 -0.021 0.000 2.575 271 S HA 0.091 4.561 4.470 -0.000 0.000 0.215 271 S C 0.836 175.424 174.600 -0.021 0.000 0.966 271 S CA -0.092 58.096 58.200 -0.019 0.000 0.911 271 S CB -0.268 62.923 63.200 -0.016 0.000 0.780 271 S HN 0.134 nan 8.310 nan 0.000 0.514 272 S N 2.548 118.232 115.700 -0.026 0.000 2.531 272 S HA 0.340 4.810 4.470 -0.000 0.000 0.279 272 S C 0.183 174.765 174.600 -0.029 0.000 1.305 272 S CA 0.038 58.221 58.200 -0.030 0.000 1.058 272 S CB 0.831 64.008 63.200 -0.037 0.000 0.899 272 S HN 0.273 nan 8.310 nan 0.000 0.493 273 T N 2.345 116.882 114.554 -0.027 0.000 2.906 273 T HA 0.303 4.653 4.350 -0.000 0.000 0.295 273 T C -0.997 173.687 174.700 -0.027 0.000 1.061 273 T CA -0.919 61.165 62.100 -0.026 0.000 1.000 273 T CB 1.201 70.057 68.868 -0.021 0.000 1.103 273 T HN 0.378 nan 8.240 nan 0.000 0.486 274 D N 3.002 123.385 120.400 -0.028 0.000 2.390 274 D HA 0.326 4.966 4.640 -0.000 0.000 0.249 274 D C 0.284 176.570 176.300 -0.024 0.000 1.144 274 D CA 0.315 54.298 54.000 -0.029 0.000 0.880 274 D CB 0.566 41.348 40.800 -0.030 0.000 1.182 274 D HN 0.560 nan 8.370 nan 0.000 0.451 275 Q N 0.271 120.057 119.800 -0.024 0.000 2.578 275 Q HA 0.580 4.920 4.340 -0.000 0.000 0.284 275 Q C -1.567 174.422 176.000 -0.018 0.000 0.960 275 Q CA -1.113 54.679 55.803 -0.018 0.000 0.809 275 Q CB 1.621 30.351 28.738 -0.013 0.000 1.462 275 Q HN 0.292 nan 8.270 nan 0.000 0.392 276 M N 2.453 122.044 119.600 -0.014 0.000 2.326 276 M HA 0.561 5.041 4.480 -0.000 0.000 0.306 276 M C -2.303 173.997 176.300 -0.000 0.000 1.054 276 M CA -0.764 54.530 55.300 -0.010 0.000 0.922 276 M CB 2.159 34.750 32.600 -0.015 0.000 1.632 276 M HN 0.690 nan 8.290 nan 0.000 0.436 277 L N 5.065 126.292 121.223 0.007 0.000 2.406 277 L HA 0.635 4.975 4.340 -0.000 0.000 0.272 277 L C -1.390 175.497 176.870 0.028 0.000 0.980 277 L CA -0.308 54.542 54.840 0.017 0.000 0.831 277 L CB 1.781 43.852 42.059 0.019 0.000 1.253 277 L HN 0.960 nan 8.230 nan 0.000 0.406 278 R N 1.839 122.359 120.500 0.033 0.000 2.439 278 R HA 0.531 4.871 4.340 -0.000 0.000 0.310 278 R C 0.278 176.605 176.300 0.046 0.000 0.955 278 R CA 0.051 56.182 56.100 0.050 0.000 0.853 278 R CB 1.595 31.931 30.300 0.060 0.000 1.171 278 R HN 0.780 nan 8.270 nan 0.000 0.449 279 T N 0.550 115.137 114.554 0.056 0.000 3.246 279 T HA 0.337 4.687 4.350 -0.000 0.000 0.231 279 T C 1.074 175.802 174.700 0.047 0.000 0.986 279 T CA 0.619 62.748 62.100 0.049 0.000 1.340 279 T CB -0.078 68.823 68.868 0.055 0.000 1.063 279 T HN 0.547 nan 8.240 nan 0.000 0.427 280 G N 1.474 110.311 108.800 0.063 0.000 2.543 280 G HA2 0.274 4.234 3.960 -0.000 0.000 0.202 280 G HA3 0.274 4.234 3.960 -0.000 0.000 0.202 280 G C 0.944 175.889 174.900 0.075 0.000 1.897 280 G CA -0.231 44.900 45.100 0.052 0.000 0.726 280 G HN 0.556 nan 8.290 nan 0.000 0.804 281 R N 0.557 121.133 120.500 0.127 0.000 2.466 281 R HA 0.343 4.682 4.340 -0.000 0.000 0.279 281 R C 0.335 176.769 176.300 0.222 0.000 0.976 281 R CA -0.427 55.804 56.100 0.219 0.000 1.081 281 R CB 0.455 30.907 30.300 0.252 0.000 1.215 281 R HN 0.168 nan 8.270 nan 0.000 0.546 282 R N 1.538 122.135 120.500 0.162 0.000 2.265 282 R HA 0.232 4.572 4.340 -0.000 0.000 0.328 282 R C -1.134 175.235 176.300 0.115 0.000 0.969 282 R CA -0.133 56.051 56.100 0.140 0.000 0.832 282 R CB 1.419 31.788 30.300 0.115 0.000 1.139 282 R HN -0.059 nan 8.270 nan 0.000 0.457 283 T N 3.691 118.307 114.554 0.103 0.000 2.771 283 T HA 0.293 4.643 4.350 -0.000 0.000 0.281 283 T C -0.540 174.188 174.700 0.047 0.000 0.982 283 T CA -0.465 61.674 62.100 0.064 0.000 0.978 283 T CB 1.667 70.555 68.868 0.032 0.000 0.930 283 T HN 0.236 nan 8.240 nan 0.000 0.447 284 V N 3.236 123.171 119.914 0.035 0.000 2.334 284 V HA 0.516 4.636 4.120 -0.000 0.000 0.281 284 V C 0.108 176.204 176.094 0.004 0.000 1.016 284 V CA -0.635 61.680 62.300 0.025 0.000 0.832 284 V CB 1.447 33.287 31.823 0.028 0.000 0.999 284 V HN 0.893 nan 8.190 nan 0.000 0.439 285 S N 3.763 119.457 115.700 -0.010 0.000 2.566 285 S HA 0.546 5.015 4.470 -0.000 0.000 0.324 285 S C -0.088 174.496 174.600 -0.028 0.000 1.081 285 S CA -0.323 57.861 58.200 -0.027 0.000 1.105 285 S CB 0.808 63.978 63.200 -0.049 0.000 0.981 285 S HN 0.758 nan 8.310 nan 0.000 0.464 286 T N 3.927 118.465 114.554 -0.026 0.000 2.795 286 T HA 0.608 4.958 4.350 -0.000 0.000 0.282 286 T C -0.413 174.265 174.700 -0.036 0.000 0.980 286 T CA -0.592 61.489 62.100 -0.031 0.000 1.012 286 T CB 1.208 70.061 68.868 -0.026 0.000 0.936 286 T HN 0.686 nan 8.240 nan 0.000 0.457 287 S N 1.522 117.197 115.700 -0.041 0.000 2.536 287 S HA 0.690 5.160 4.470 -0.000 0.000 0.287 287 S C -0.851 173.723 174.600 -0.043 0.000 1.101 287 S CA -0.831 57.344 58.200 -0.040 0.000 0.950 287 S CB 1.420 64.596 63.200 -0.040 0.000 1.056 287 S HN 0.382 nan 8.310 nan 0.000 0.481 288 V N 3.252 123.140 119.914 -0.043 0.000 2.328 288 V HA 0.597 4.717 4.120 -0.000 0.000 0.278 288 V C -0.112 175.950 176.094 -0.054 0.000 1.021 288 V CA -0.684 61.584 62.300 -0.052 0.000 0.838 288 V CB 0.415 32.208 31.823 -0.051 0.000 0.999 288 V HN 0.985 nan 8.190 nan 0.000 0.447 289 R N 3.381 123.844 120.500 -0.062 0.000 2.476 289 R HA 0.694 5.034 4.340 -0.000 0.000 0.305 289 R C -0.310 175.906 176.300 -0.140 0.000 0.965 289 R CA -0.692 55.367 56.100 -0.069 0.000 0.867 289 R CB 1.488 31.775 30.300 -0.022 0.000 1.176 289 R HN 0.572 nan 8.270 nan 0.000 0.447 290 D N 1.689 122.010 120.400 -0.132 0.000 4.230 290 D HA -0.297 4.343 4.640 -0.000 0.000 0.136 290 D C -0.046 176.152 176.300 -0.171 0.000 0.802 290 D CA 1.579 55.478 54.000 -0.168 0.000 1.112 290 D CB -0.607 40.047 40.800 -0.243 0.000 0.557 290 D HN 0.669 nan 8.370 nan 0.000 0.557 291 N N 1.550 120.110 118.700 -0.233 0.000 2.235 291 N HA 0.389 5.129 4.740 -0.000 0.000 0.209 291 N C -0.982 174.420 175.510 -0.180 0.000 1.122 291 N CA 0.743 53.688 53.050 -0.175 0.000 0.845 291 N CB 0.450 38.845 38.487 -0.153 0.000 1.004 291 N HN 0.496 nan 8.380 nan 0.000 0.499 292 A N -0.131 122.558 122.820 -0.220 0.000 2.350 292 A HA 0.505 4.825 4.320 -0.000 0.000 0.324 292 A C -0.610 176.910 177.584 -0.108 0.000 1.118 292 A CA -0.685 51.250 52.037 -0.170 0.000 0.783 292 A CB 1.012 19.885 19.000 -0.211 0.000 1.236 292 A HN 0.314 nan 8.150 nan 0.000 0.457 293 E N 2.163 122.309 120.200 -0.090 0.000 2.081 293 E HA 0.515 4.865 4.350 -0.000 0.000 0.276 293 E C -1.372 175.171 176.600 -0.095 0.000 0.950 293 E CA -0.252 56.102 56.400 -0.077 0.000 0.776 293 E CB 0.538 30.200 29.700 -0.064 0.000 1.094 293 E HN 0.562 nan 8.360 nan 0.000 0.402 294 I N 3.797 124.315 120.570 -0.086 0.000 2.339 294 I HA 0.210 4.379 4.170 -0.000 0.000 0.290 294 I C -0.070 176.001 176.117 -0.077 0.000 0.994 294 I CA -0.377 60.856 61.300 -0.112 0.000 1.191 294 I CB 2.020 39.961 38.000 -0.099 0.000 1.343 294 I HN 0.353 nan 8.210 nan 0.000 0.458 295 T N 7.255 121.766 114.554 -0.071 0.000 2.881 295 T HA 0.563 4.913 4.350 -0.000 0.000 0.291 295 T C -0.720 173.980 174.700 0.000 0.000 0.990 295 T CA -0.567 61.514 62.100 -0.032 0.000 0.976 295 T CB 0.600 69.454 68.868 -0.023 0.000 0.970 295 T HN 0.237 nan 8.240 nan 0.000 0.438 296 I N 5.689 126.264 120.570 0.009 0.000 2.336 296 I HA 0.483 4.652 4.170 -0.000 0.000 0.292 296 I C -0.289 175.867 176.117 0.065 0.000 0.991 296 I CA -0.905 60.424 61.300 0.048 0.000 1.227 296 I CB 1.350 39.329 38.000 -0.034 0.000 1.366 296 I HN 0.411 nan 8.210 nan 0.000 0.466 297 V N 5.217 125.214 119.914 0.137 0.000 2.483 297 V HA 0.957 5.076 4.120 -0.000 0.000 0.297 297 V C 0.336 176.550 176.094 0.200 0.000 1.027 297 V CA -0.299 62.081 62.300 0.132 0.000 0.855 297 V CB 1.374 33.266 31.823 0.115 0.000 0.995 297 V HN 1.094 nan 8.190 nan 0.000 0.424 298 G N 3.423 112.328 108.800 0.175 0.000 2.324 298 G HA2 0.288 4.248 3.960 -0.000 0.000 0.293 298 G HA3 0.288 4.248 3.960 -0.000 0.000 0.293 298 G C -1.265 173.749 174.900 0.189 0.000 1.297 298 G CA -0.734 44.508 45.100 0.237 0.000 0.853 298 G HN 0.573 nan 8.290 nan 0.000 0.535 299 E N 0.236 120.589 120.200 0.254 0.000 1.892 299 E HA 0.519 4.868 4.350 -0.000 0.000 0.271 299 E C -0.469 176.068 176.600 -0.104 0.000 1.146 299 E CA -0.083 56.451 56.400 0.222 0.000 1.096 299 E CB -0.216 29.767 29.700 0.471 0.000 1.155 299 E HN 0.348 nan 8.360 nan 0.000 0.458 300 L N 3.732 124.805 121.223 -0.251 0.000 2.445 300 L HA 0.465 4.805 4.340 -0.000 0.000 0.262 300 L C -2.404 174.137 176.870 -0.548 0.000 0.974 300 L CA -2.732 51.794 54.840 -0.522 0.000 0.822 300 L CB 2.328 44.160 42.059 -0.378 0.000 1.339 300 L HN 0.271 nan 8.230 nan 0.000 0.409 301 P HA 0.044 nan 4.420 nan 0.000 0.264 301 P C -2.061 175.152 177.300 -0.146 0.000 1.193 301 P CA -0.730 62.212 63.100 -0.264 0.000 0.763 301 P CB 0.251 31.830 31.700 -0.202 0.000 0.810 302 P HA -0.311 nan 4.420 nan 0.000 0.218 302 P C 1.613 178.862 177.300 -0.085 0.000 1.165 302 P CA 1.712 64.780 63.100 -0.053 0.000 0.922 302 P CB -0.196 31.495 31.700 -0.014 0.000 0.794 303 Q N -1.059 118.695 119.800 -0.077 0.000 2.096 303 Q HA -0.211 4.129 4.340 -0.000 0.000 0.208 303 Q C 1.877 177.796 176.000 -0.134 0.000 0.993 303 Q CA 2.853 58.596 55.803 -0.099 0.000 0.862 303 Q CB -0.736 27.951 28.738 -0.084 0.000 0.915 303 Q HN 0.219 nan 8.270 nan 0.000 0.416 304 T N 0.653 115.130 114.554 -0.129 0.000 2.746 304 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 304 T C 1.784 176.393 174.700 -0.151 0.000 1.039 304 T CA 1.276 63.312 62.100 -0.105 0.000 1.142 304 T CB -0.400 68.406 68.868 -0.103 0.000 0.866 304 T HN 0.489 nan 8.240 nan 0.000 0.444 305 A N 1.549 124.245 122.820 -0.207 0.000 1.865 305 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 305 A C 2.417 179.904 177.584 -0.162 0.000 1.191 305 A CA 2.146 54.041 52.037 -0.236 0.000 0.623 305 A CB -0.872 18.016 19.000 -0.187 0.000 0.826 305 A HN 0.363 nan 8.150 nan 0.000 0.444 306 K N -0.577 119.744 120.400 -0.131 0.000 2.063 306 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 306 K C 2.368 178.891 176.600 -0.129 0.000 1.048 306 K CA 1.680 57.899 56.287 -0.112 0.000 0.928 306 K CB -0.590 31.848 32.500 -0.104 0.000 0.713 306 K HN 0.642 nan 8.250 nan 0.000 0.442 307 R N -0.304 120.087 120.500 -0.181 0.000 2.105 307 R HA -0.036 4.304 4.340 -0.000 0.000 0.239 307 R C 2.326 178.554 176.300 -0.120 0.000 1.135 307 R CA 1.927 57.860 56.100 -0.278 0.000 0.967 307 R CB -0.357 29.586 30.300 -0.595 0.000 0.861 307 R HN 0.398 nan 8.270 nan 0.000 0.442 308 I N 0.279 120.853 120.570 0.006 0.000 2.133 308 I HA -0.221 3.948 4.170 -0.000 0.000 0.238 308 I C 2.582 178.709 176.117 0.016 0.000 1.074 308 I CA 1.255 62.605 61.300 0.082 0.000 1.342 308 I CB -0.437 37.506 38.000 -0.094 0.000 1.053 308 I HN 0.216 nan 8.210 nan 0.000 0.404 309 A N 1.140 123.937 122.820 -0.038 0.000 1.927 309 A HA -0.259 4.060 4.320 -0.000 0.000 0.220 309 A C 1.909 179.487 177.584 -0.009 0.000 1.185 309 A CA 2.180 54.199 52.037 -0.031 0.000 0.639 309 A CB -0.927 18.043 19.000 -0.050 0.000 0.820 309 A HN 0.688 nan 8.150 nan 0.000 0.451 310 E N -1.079 119.105 120.200 -0.027 0.000 2.311 310 E HA 0.132 4.482 4.350 -0.000 0.000 0.198 310 E C -0.121 176.478 176.600 -0.001 0.000 1.115 310 E CA -0.106 56.284 56.400 -0.018 0.000 1.140 310 E CB -0.211 29.460 29.700 -0.049 0.000 1.204 310 E HN 0.557 nan 8.360 nan 0.000 0.446 311 N N 1.049 119.771 118.700 0.037 0.000 2.167 311 N HA 0.129 4.869 4.740 -0.000 0.000 0.234 311 N C -0.359 175.209 175.510 0.097 0.000 1.312 311 N CA -0.255 52.839 53.050 0.073 0.000 0.861 311 N CB 0.909 39.462 38.487 0.109 0.000 1.217 311 N HN 0.201 nan 8.380 nan 0.000 0.504 312 I N 2.380 122.999 120.570 0.082 0.000 2.598 312 I HA 0.053 4.223 4.170 -0.000 0.000 0.284 312 I C 1.082 177.242 176.117 0.073 0.000 1.140 312 I CA 0.262 61.593 61.300 0.051 0.000 1.420 312 I CB -0.312 37.658 38.000 -0.050 0.000 1.387 312 I HN -0.021 nan 8.210 nan 0.000 0.553 313 K N 6.600 127.027 120.400 0.045 0.000 2.098 313 K HA 0.673 4.992 4.320 -0.000 0.000 0.258 313 K C -1.106 175.498 176.600 0.006 0.000 0.973 313 K CA -0.363 55.990 56.287 0.110 0.000 0.898 313 K CB 1.087 33.649 32.500 0.103 0.000 1.057 313 K HN 0.394 nan 8.250 nan 0.000 0.447 314 F N -0.075 119.959 119.950 0.141 0.000 2.520 314 F HA 0.560 5.087 4.527 -0.000 0.000 0.322 314 F C 1.278 177.150 175.800 0.120 0.000 1.103 314 F CA -0.310 57.788 58.000 0.164 0.000 0.926 314 F CB 2.504 41.579 39.000 0.126 0.000 1.154 314 F HN 0.885 nan 8.300 nan 0.000 0.453 315 G N 1.569 110.536 108.800 0.278 0.000 2.171 315 G HA2 0.010 3.970 3.960 -0.000 0.000 0.238 315 G HA3 0.010 3.970 3.960 -0.000 0.000 0.238 315 G C 0.187 175.156 174.900 0.114 0.000 1.039 315 G CA -0.208 44.998 45.100 0.176 0.000 0.759 315 G HN 1.057 nan 8.290 nan 0.000 0.501 316 A N 0.000 122.876 122.820 0.094 0.000 2.254 316 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 316 A CA 0.000 52.072 52.037 0.058 0.000 0.836 316 A CB 0.000 19.024 19.000 0.040 0.000 0.831 316 A HN 0.000 nan 8.150 nan 0.000 0.486