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 1w83_1_A DATA FIRST_RESID 4 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGLRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKCQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDCE LKILDFGLAR HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLT QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPPPL DATA SEQUENCE DQ 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.626 176.600 0.043 0.000 1.382 4 E CA 0.000 56.417 56.400 0.029 0.000 0.976 4 E CB 0.000 29.716 29.700 0.027 0.000 0.812 5 R N 3.247 123.784 120.500 0.062 0.000 2.390 5 R HA 0.285 4.629 4.340 0.007 0.000 0.291 5 R C -2.015 174.349 176.300 0.107 0.000 1.070 5 R CA -1.172 54.989 56.100 0.102 0.000 1.014 5 R CB 0.543 30.911 30.300 0.113 0.000 1.007 5 R HN -0.046 nan 8.270 nan 0.000 0.466 6 P HA 0.080 nan 4.420 nan 0.000 0.272 6 P C -0.838 176.532 177.300 0.117 0.000 1.230 6 P CA -0.264 62.854 63.100 0.029 0.000 0.788 6 P CB 0.660 32.292 31.700 -0.112 0.000 0.949 7 T N 1.770 116.356 114.554 0.054 0.000 2.907 7 T HA 0.330 4.684 4.350 0.007 0.000 0.298 7 T C -0.021 174.735 174.700 0.093 0.000 1.017 7 T CA 0.338 62.519 62.100 0.135 0.000 1.118 7 T CB -0.109 68.808 68.868 0.081 0.000 0.948 7 T HN 0.140 nan 8.240 nan 0.000 0.531 8 F N 2.166 122.131 119.950 0.024 0.000 2.470 8 F HA 0.593 5.123 4.527 0.006 0.000 0.329 8 F C -0.082 175.789 175.800 0.119 0.000 1.072 8 F CA -1.107 56.900 58.000 0.012 0.000 0.989 8 F CB 1.306 40.290 39.000 -0.028 0.000 1.193 8 F HN 0.603 nan 8.300 nan 0.000 0.481 9 Y N -0.420 119.962 120.300 0.137 0.000 2.553 9 Y HA 0.800 5.354 4.550 0.006 0.000 0.347 9 Y C -1.107 174.884 175.900 0.152 0.000 1.019 9 Y CA -1.704 56.466 58.100 0.117 0.000 1.032 9 Y CB 1.252 39.746 38.460 0.058 0.000 1.284 9 Y HN 0.511 nan 8.280 nan 0.000 0.466 10 R N 2.017 122.649 120.500 0.219 0.000 2.598 10 R HA 0.565 4.909 4.340 0.007 0.000 0.279 10 R C -1.304 175.116 176.300 0.200 0.000 0.984 10 R CA -1.046 55.148 56.100 0.157 0.000 0.999 10 R CB 1.758 32.151 30.300 0.155 0.000 1.114 10 R HN 0.864 nan 8.270 nan 0.000 0.493 11 Q N 1.214 121.125 119.800 0.184 0.000 2.364 11 Q HA 0.061 4.405 4.340 0.007 0.000 0.251 11 Q C -1.750 174.381 176.000 0.217 0.000 0.927 11 Q CA -0.310 55.608 55.803 0.192 0.000 0.924 11 Q CB 2.086 30.931 28.738 0.178 0.000 1.419 11 Q HN 0.587 nan 8.270 nan 0.000 0.427 12 E N 4.491 124.795 120.200 0.172 0.000 2.152 12 E HA 0.360 4.714 4.350 0.007 0.000 0.285 12 E C -1.306 175.380 176.600 0.143 0.000 1.043 12 E CA -0.215 56.291 56.400 0.176 0.000 0.839 12 E CB 0.626 30.402 29.700 0.126 0.000 1.069 12 E HN 0.478 nan 8.360 nan 0.000 0.399 13 L N 4.801 126.133 121.223 0.181 0.000 2.349 13 L HA 0.308 4.652 4.340 0.007 0.000 0.278 13 L C -0.467 176.488 176.870 0.142 0.000 0.996 13 L CA -0.842 54.051 54.840 0.089 0.000 0.825 13 L CB 1.527 43.541 42.059 -0.074 0.000 1.243 13 L HN 0.597 nan 8.230 nan 0.000 0.412 14 N N 2.473 121.227 118.700 0.090 0.000 2.725 14 N HA -0.238 4.506 4.740 0.007 0.000 0.251 14 N C 0.048 175.615 175.510 0.095 0.000 1.031 14 N CA 0.819 53.919 53.050 0.084 0.000 0.720 14 N CB -1.217 37.318 38.487 0.079 0.000 0.930 14 N HN 0.669 nan 8.380 nan 0.000 0.543 15 K N -1.981 118.473 120.400 0.090 0.000 3.100 15 K HA -0.259 4.065 4.320 0.007 0.000 0.261 15 K C -0.678 175.978 176.600 0.094 0.000 0.920 15 K CA 1.603 57.940 56.287 0.083 0.000 0.683 15 K CB -1.416 31.116 32.500 0.053 0.000 1.349 15 K HN 0.680 nan 8.250 nan 0.000 0.473 16 T N -1.382 113.265 114.554 0.156 0.000 2.841 16 T HA 0.538 4.892 4.350 0.007 0.000 0.283 16 T C 0.109 174.956 174.700 0.245 0.000 1.000 16 T CA -1.167 61.022 62.100 0.148 0.000 0.977 16 T CB 1.799 70.744 68.868 0.129 0.000 0.979 16 T HN -0.044 nan 8.240 nan 0.000 0.446 17 I N 2.259 122.912 120.570 0.138 0.000 2.441 17 I HA 0.251 4.425 4.170 0.007 0.000 0.287 17 I C -0.751 175.487 176.117 0.201 0.000 1.049 17 I CA -0.805 60.609 61.300 0.190 0.000 1.381 17 I CB 0.475 38.544 38.000 0.114 0.000 1.409 17 I HN 0.746 nan 8.210 nan 0.000 0.523 18 W N 5.305 126.685 121.300 0.133 0.000 2.417 18 W HA 0.412 5.077 4.660 0.008 0.000 0.315 18 W C 0.215 176.786 176.519 0.088 0.000 1.045 18 W CA -0.495 56.965 57.345 0.193 0.000 1.221 18 W CB 0.937 30.487 29.460 0.149 0.000 1.309 18 W HN 0.350 nan 8.180 nan 0.000 0.453 19 E N 3.230 123.591 120.200 0.268 0.000 2.114 19 E HA 0.438 4.792 4.350 0.007 0.000 0.266 19 E C -0.848 175.803 176.600 0.085 0.000 0.896 19 E CA -0.620 55.879 56.400 0.166 0.000 0.750 19 E CB 1.762 31.596 29.700 0.223 0.000 1.121 19 E HN 0.360 nan 8.360 nan 0.000 0.413 20 V N 0.884 120.710 119.914 -0.147 0.000 3.007 20 V HA 0.620 4.744 4.120 0.007 0.000 0.311 20 V C -2.899 172.653 176.094 -0.903 0.000 1.120 20 V CA -2.949 59.051 62.300 -0.498 0.000 0.980 20 V CB 1.999 33.715 31.823 -0.179 0.000 1.033 20 V HN 0.343 nan 8.190 nan 0.000 0.429 21 P HA 0.205 nan 4.420 nan 0.000 0.268 21 P C 0.526 177.624 177.300 -0.336 0.000 1.208 21 P CA 0.129 62.632 63.100 -0.995 0.000 0.777 21 P CB 0.428 31.531 31.700 -0.995 0.000 0.875 22 E N 2.237 122.356 120.200 -0.134 0.000 2.204 22 E HA -0.234 4.121 4.350 0.007 0.000 0.195 22 E C 1.746 178.302 176.600 -0.074 0.000 0.990 22 E CA 0.737 57.165 56.400 0.047 0.000 0.821 22 E CB -0.343 29.327 29.700 -0.049 0.000 0.750 22 E HN 0.506 nan 8.360 nan 0.000 0.477 23 R N 0.840 121.169 120.500 -0.284 0.000 2.200 23 R HA -0.144 4.201 4.340 0.007 0.000 0.234 23 R C 0.069 176.090 176.300 -0.464 0.000 1.127 23 R CA 0.928 56.774 56.100 -0.423 0.000 0.989 23 R CB -0.556 29.372 30.300 -0.620 0.000 0.869 23 R HN 0.107 nan 8.270 nan 0.000 0.459 24 Y N 2.056 122.338 120.300 -0.030 0.000 2.383 24 Y HA 0.323 4.876 4.550 0.006 0.000 0.344 24 Y C 0.306 176.305 175.900 0.164 0.000 0.986 24 Y CA -0.739 57.383 58.100 0.036 0.000 1.175 24 Y CB 0.798 39.264 38.460 0.011 0.000 1.152 24 Y HN -0.002 nan 8.280 nan 0.000 0.511 25 Q N 1.545 121.517 119.800 0.287 0.000 2.445 25 Q HA 0.361 4.705 4.340 0.007 0.000 0.281 25 Q C -0.132 176.002 176.000 0.225 0.000 1.101 25 Q CA -0.963 54.989 55.803 0.248 0.000 0.833 25 Q CB 1.491 30.347 28.738 0.196 0.000 1.416 25 Q HN 0.699 nan 8.270 nan 0.000 0.451 26 N N 0.092 118.886 118.700 0.156 0.000 2.725 26 N HA -0.209 4.536 4.740 0.007 0.000 0.251 26 N C -0.840 174.714 175.510 0.073 0.000 1.031 26 N CA 0.373 53.482 53.050 0.098 0.000 0.720 26 N CB -1.519 37.016 38.487 0.081 0.000 0.930 26 N HN 0.382 nan 8.380 nan 0.000 0.543 27 L N 0.375 121.631 121.223 0.056 0.000 2.477 27 L HA 0.142 4.487 4.340 0.007 0.000 0.272 27 L C 0.825 177.635 176.870 -0.101 0.000 1.157 27 L CA 0.863 55.672 54.840 -0.052 0.000 0.889 27 L CB 0.877 42.860 42.059 -0.128 0.000 1.158 27 L HN 0.261 nan 8.230 nan 0.000 0.473 28 S N 5.739 121.370 115.700 -0.116 0.000 2.707 28 S HA 0.616 5.090 4.470 0.007 0.000 0.303 28 S C -2.669 171.855 174.600 -0.126 0.000 1.132 28 S CA -1.490 56.652 58.200 -0.096 0.000 1.046 28 S CB 1.287 64.464 63.200 -0.039 0.000 1.004 28 S HN 0.271 nan 8.310 nan 0.000 0.483 29 P HA 0.134 nan 4.420 nan 0.000 0.268 29 P C 0.176 177.449 177.300 -0.045 0.000 1.205 29 P CA -0.158 62.876 63.100 -0.109 0.000 0.771 29 P CB 1.064 32.720 31.700 -0.073 0.000 0.858 30 V N 1.360 121.264 119.914 -0.017 0.000 3.371 30 V HA 0.437 4.561 4.120 0.007 0.000 0.246 30 V C 0.869 176.970 176.094 0.013 0.000 1.303 30 V CA 1.025 63.327 62.300 0.003 0.000 1.156 30 V CB 0.542 32.379 31.823 0.024 0.000 0.929 30 V HN 0.889 nan 8.190 nan 0.000 0.459 31 G N 0.021 108.844 108.800 0.038 0.000 2.473 31 G HA2 0.520 4.484 3.960 0.007 0.000 0.298 31 G HA3 0.520 4.484 3.960 0.007 0.000 0.298 31 G C -0.960 173.986 174.900 0.077 0.000 1.575 31 G CA 0.338 45.464 45.100 0.043 0.000 0.846 31 G HN 0.314 nan 8.290 nan 0.000 0.585 32 S N -0.667 115.071 115.700 0.063 0.000 2.745 32 S HA 1.009 5.484 4.470 0.007 0.000 0.306 32 S C 0.130 174.758 174.600 0.047 0.000 1.137 32 S CA -0.275 57.968 58.200 0.072 0.000 0.900 32 S CB 2.213 65.459 63.200 0.076 0.000 1.176 32 S HN 2.385 nan 8.310 nan 0.000 0.520 33 G N -1.403 107.422 108.800 0.041 0.000 2.466 33 G HA2 0.616 4.580 3.960 0.007 0.000 0.291 33 G HA3 0.616 4.580 3.960 0.007 0.000 0.291 33 G C 0.411 175.318 174.900 0.011 0.000 1.460 33 G CA -0.163 44.954 45.100 0.028 0.000 0.791 33 G HN 1.204 nan 8.290 nan 0.000 0.505 34 A N -0.655 122.148 122.820 -0.028 0.000 1.958 34 A HA -0.071 4.253 4.320 0.007 0.000 0.221 34 A C 1.647 179.161 177.584 -0.116 0.000 1.178 34 A CA 2.095 54.069 52.037 -0.105 0.000 0.642 34 A CB -0.495 18.391 19.000 -0.190 0.000 0.816 34 A HN 0.742 nan 8.150 nan 0.000 0.453 35 Y N -0.845 119.440 120.300 -0.024 0.000 2.468 35 Y HA 0.410 4.964 4.550 0.007 0.000 0.268 35 Y C 1.229 177.081 175.900 -0.080 0.000 1.177 35 Y CA 0.120 58.189 58.100 -0.051 0.000 1.265 35 Y CB 0.122 38.532 38.460 -0.083 0.000 1.103 35 Y HN 0.473 nan 8.280 nan 0.000 0.522 36 G N -0.993 107.849 108.800 0.069 0.000 2.350 36 G HA2 0.323 4.287 3.960 0.007 0.000 0.305 36 G HA3 0.323 4.287 3.960 0.007 0.000 0.305 36 G C -1.372 173.549 174.900 0.035 0.000 1.479 36 G CA -0.776 44.321 45.100 -0.006 0.000 0.949 36 G HN 0.031 nan 8.290 nan 0.000 0.651 37 S N -1.104 114.628 115.700 0.053 0.000 2.532 37 S HA 0.834 5.308 4.470 0.007 0.000 0.301 37 S C -0.363 174.451 174.600 0.358 0.000 1.083 37 S CA -0.915 57.414 58.200 0.214 0.000 1.025 37 S CB 2.220 65.618 63.200 0.331 0.000 1.056 37 S HN 1.207 nan 8.310 nan 0.000 0.494 38 V N 1.053 121.135 119.914 0.280 0.000 2.513 38 V HA 0.506 4.630 4.120 0.007 0.000 0.299 38 V C -0.371 175.778 176.094 0.091 0.000 1.035 38 V CA -0.647 61.797 62.300 0.240 0.000 0.889 38 V CB 1.238 33.154 31.823 0.156 0.000 0.988 38 V HN 1.131 nan 8.190 nan 0.000 0.440 39 C N 3.295 122.583 119.300 -0.019 0.000 2.455 39 C HA 0.816 5.280 4.460 0.007 0.000 0.320 39 C C 0.805 175.759 174.990 -0.059 0.000 1.226 39 C CA -0.925 57.981 59.018 -0.186 0.000 1.569 39 C CB 1.154 28.576 27.740 -0.531 0.000 2.200 39 C HN 1.031 nan 8.230 nan 0.000 0.491 40 A N 2.236 125.037 122.820 -0.032 0.000 2.462 40 A HA 0.678 5.002 4.320 0.007 0.000 0.243 40 A C 0.189 177.786 177.584 0.023 0.000 1.076 40 A CA 0.412 52.460 52.037 0.019 0.000 0.773 40 A CB 0.131 19.151 19.000 0.033 0.000 1.010 40 A HN 1.570 nan 8.150 nan 0.000 0.493 41 A N 1.136 124.005 122.820 0.080 0.000 2.602 41 A HA 0.691 5.015 4.320 0.007 0.000 0.290 41 A C -1.273 176.460 177.584 0.247 0.000 1.114 41 A CA -0.484 51.641 52.037 0.147 0.000 0.683 41 A CB 0.847 19.931 19.000 0.139 0.000 1.281 41 A HN 1.472 nan 8.150 nan 0.000 0.416 42 F N 1.421 121.448 119.950 0.128 0.000 2.388 42 F HA 0.507 5.038 4.527 0.007 0.000 0.358 42 F C -0.265 175.629 175.800 0.156 0.000 1.122 42 F CA -0.726 57.345 58.000 0.119 0.000 1.056 42 F CB 1.165 40.208 39.000 0.070 0.000 1.155 42 F HN 0.536 nan 8.300 nan 0.000 0.461 43 D N 4.163 124.334 120.400 -0.382 0.000 2.374 43 D HA 0.059 4.704 4.640 0.007 0.000 0.240 43 D C 1.341 177.192 176.300 -0.749 0.000 1.229 43 D CA 0.209 53.995 54.000 -0.357 0.000 0.895 43 D CB 1.082 41.822 40.800 -0.101 0.000 1.046 43 D HN 0.683 nan 8.370 nan 0.000 0.498 44 T N 0.984 115.232 114.554 -0.511 0.000 3.051 44 T HA -0.141 4.213 4.350 0.007 0.000 0.269 44 T C 1.600 176.166 174.700 -0.224 0.000 1.127 44 T CA 0.803 62.722 62.100 -0.301 0.000 1.107 44 T CB 0.027 68.864 68.868 -0.052 0.000 0.898 44 T HN 0.295 nan 8.240 nan 0.000 0.517 45 K N 1.119 121.363 120.400 -0.259 0.000 2.305 45 K HA 0.037 4.362 4.320 0.007 0.000 0.199 45 K C 1.963 178.484 176.600 -0.132 0.000 1.047 45 K CA 1.224 57.406 56.287 -0.176 0.000 0.976 45 K CB 0.200 32.585 32.500 -0.192 0.000 0.765 45 K HN 0.602 nan 8.250 nan 0.000 0.474 46 T N -5.478 108.976 114.554 -0.165 0.000 2.969 46 T HA 0.223 4.577 4.350 0.007 0.000 0.258 46 T C 1.158 175.801 174.700 -0.095 0.000 0.962 46 T CA 0.261 62.304 62.100 -0.094 0.000 0.903 46 T CB 0.854 69.689 68.868 -0.055 0.000 1.177 46 T HN 0.153 nan 8.240 nan 0.000 0.511 47 G N 1.829 110.490 108.800 -0.231 0.000 2.153 47 G HA2 -0.210 3.754 3.960 0.007 0.000 0.252 47 G HA3 -0.210 3.754 3.960 0.007 0.000 0.252 47 G C -0.096 174.759 174.900 -0.075 0.000 0.994 47 G CA 0.361 45.366 45.100 -0.158 0.000 0.698 47 G HN 0.656 nan 8.290 nan 0.000 0.521 48 L N -0.389 120.734 121.223 -0.166 0.000 2.399 48 L HA 0.613 4.957 4.340 0.007 0.000 0.266 48 L C 1.083 177.969 176.870 0.026 0.000 1.114 48 L CA -1.036 53.816 54.840 0.021 0.000 0.804 48 L CB 0.856 42.967 42.059 0.087 0.000 1.146 48 L HN 0.139 nan 8.230 nan 0.000 0.451 49 R N 1.385 122.000 120.500 0.192 0.000 2.297 49 R HA 0.560 4.904 4.340 0.007 0.000 0.308 49 R C -0.780 175.617 176.300 0.160 0.000 1.029 49 R CA -0.566 55.670 56.100 0.225 0.000 0.929 49 R CB 1.323 31.759 30.300 0.226 0.000 1.046 49 R HN 0.472 nan 8.270 nan 0.000 0.461 50 V N -1.236 118.756 119.914 0.130 0.000 3.074 50 V HA 0.939 5.063 4.120 0.007 0.000 0.314 50 V C -0.452 175.678 176.094 0.059 0.000 1.117 50 V CA -1.278 61.068 62.300 0.077 0.000 1.014 50 V CB 1.989 33.834 31.823 0.038 0.000 1.057 50 V HN 0.832 nan 8.190 nan 0.000 0.438 51 A N 1.771 124.611 122.820 0.034 0.000 2.324 51 A HA 0.869 5.193 4.320 0.007 0.000 0.330 51 A C -0.681 176.906 177.584 0.004 0.000 1.165 51 A CA -0.695 51.364 52.037 0.037 0.000 0.813 51 A CB 1.575 20.615 19.000 0.067 0.000 1.197 51 A HN 1.375 nan 8.150 nan 0.000 0.484 52 V N 2.827 122.769 119.914 0.047 0.000 2.376 52 V HA 0.339 4.463 4.120 0.007 0.000 0.287 52 V C -0.025 176.227 176.094 0.263 0.000 1.015 52 V CA -0.554 61.809 62.300 0.104 0.000 0.834 52 V CB 1.382 33.287 31.823 0.135 0.000 1.001 52 V HN 0.913 nan 8.190 nan 0.000 0.428 53 K N 4.617 125.086 120.400 0.115 0.000 2.234 53 K HA 0.448 4.772 4.320 0.007 0.000 0.277 53 K C -0.279 176.241 176.600 -0.134 0.000 1.038 53 K CA -0.586 55.742 56.287 0.068 0.000 0.888 53 K CB 0.892 33.377 32.500 -0.024 0.000 1.091 53 K HN 0.618 nan 8.250 nan 0.000 0.467 54 K N 6.270 126.481 120.400 -0.314 0.000 2.240 54 K HA 0.233 4.557 4.320 0.007 0.000 0.271 54 K C -0.815 175.438 176.600 -0.580 0.000 1.018 54 K CA -0.561 55.189 56.287 -0.895 0.000 0.874 54 K CB 0.676 32.177 32.500 -1.666 0.000 1.098 54 K HN 0.595 nan 8.250 nan 0.000 0.458 55 L N 3.262 124.158 121.223 -0.545 0.000 2.361 55 L HA 0.109 4.454 4.340 0.007 0.000 0.278 55 L C 0.326 177.004 176.870 -0.319 0.000 1.113 55 L CA -0.288 54.346 54.840 -0.343 0.000 0.849 55 L CB 1.377 43.244 42.059 -0.320 0.000 1.155 55 L HN 0.653 nan 8.230 nan 0.000 0.452 56 S N 4.858 120.451 115.700 -0.178 0.000 2.443 56 S HA 0.114 4.588 4.470 0.007 0.000 0.284 56 S C 0.157 174.684 174.600 -0.121 0.000 1.206 56 S CA -0.485 57.630 58.200 -0.141 0.000 1.074 56 S CB -0.080 63.079 63.200 -0.069 0.000 0.963 56 S HN 0.535 nan 8.310 nan 0.000 0.501 57 R N 2.166 122.546 120.500 -0.200 0.000 3.022 57 R HA -0.152 4.193 4.340 0.007 0.000 0.248 57 R C -2.466 173.667 176.300 -0.280 0.000 0.874 57 R CA 0.153 56.109 56.100 -0.239 0.000 0.626 57 R CB -1.920 28.226 30.300 -0.256 0.000 1.255 57 R HN 0.485 nan 8.270 nan 0.000 0.496 58 P HA -0.128 nan 4.420 nan 0.000 0.218 58 P C 0.464 177.316 177.300 -0.747 0.000 1.148 58 P CA 1.355 64.011 63.100 -0.741 0.000 0.822 58 P CB 0.094 30.939 31.700 -1.426 0.000 0.784 59 F N -1.305 118.608 119.950 -0.062 0.000 2.831 59 F HA 0.389 4.920 4.527 0.007 0.000 0.355 59 F C 1.819 177.579 175.800 -0.067 0.000 1.341 59 F CA -0.664 57.318 58.000 -0.029 0.000 1.201 59 F CB -0.661 38.305 39.000 -0.057 0.000 1.058 59 F HN -0.143 nan 8.300 nan 0.000 0.514 60 Q N 1.069 120.813 119.800 -0.094 0.000 2.020 60 Q HA -0.055 4.290 4.340 0.007 0.000 0.198 60 Q C 1.188 177.146 176.000 -0.070 0.000 0.974 60 Q CA 1.520 57.201 55.803 -0.205 0.000 0.829 60 Q CB 0.326 28.718 28.738 -0.576 0.000 0.894 60 Q HN 0.518 nan 8.270 nan 0.000 0.433 61 S N -1.881 113.830 115.700 0.018 0.000 2.798 61 S HA 0.282 4.756 4.470 0.007 0.000 0.312 61 S C 0.954 175.667 174.600 0.188 0.000 1.122 61 S CA -0.693 57.577 58.200 0.118 0.000 0.949 61 S CB 0.449 63.745 63.200 0.161 0.000 1.235 61 S HN 0.210 nan 8.310 nan 0.000 0.552 62 I N 0.502 121.181 120.570 0.181 0.000 2.202 62 I HA -0.013 4.161 4.170 0.007 0.000 0.242 62 I C 1.981 178.169 176.117 0.118 0.000 1.091 62 I CA 1.175 62.612 61.300 0.228 0.000 1.368 62 I CB -0.651 37.490 38.000 0.235 0.000 1.058 62 I HN 0.607 nan 8.210 nan 0.000 0.410 63 I N -0.664 119.966 120.570 0.100 0.000 2.394 63 I HA -0.248 3.926 4.170 0.007 0.000 0.251 63 I C 2.353 178.478 176.117 0.013 0.000 1.136 63 I CA 1.417 62.731 61.300 0.025 0.000 1.425 63 I CB -0.754 37.277 38.000 0.052 0.000 1.079 63 I HN 0.187 nan 8.210 nan 0.000 0.425 64 H N 0.627 119.722 119.070 0.043 0.000 2.270 64 H HA -0.059 4.501 4.556 0.007 0.000 0.299 64 H C 2.363 177.694 175.328 0.004 0.000 1.077 64 H CA 1.878 57.967 56.048 0.068 0.000 1.294 64 H CB -0.230 29.572 29.762 0.067 0.000 1.371 64 H HN 0.298 nan 8.280 nan 0.000 0.491 65 A N 0.734 123.688 122.820 0.222 0.000 1.978 65 A HA -0.218 4.107 4.320 0.007 0.000 0.220 65 A C 2.176 179.793 177.584 0.056 0.000 1.170 65 A CA 1.761 53.999 52.037 0.335 0.000 0.636 65 A CB -0.431 18.867 19.000 0.498 0.000 0.810 65 A HN 0.361 nan 8.150 nan 0.000 0.448 66 K N -0.707 119.440 120.400 -0.422 0.000 2.025 66 K HA -0.165 4.159 4.320 0.007 0.000 0.207 66 K C 2.326 178.732 176.600 -0.323 0.000 1.049 66 K CA 1.446 57.218 56.287 -0.859 0.000 0.933 66 K CB -0.161 31.710 32.500 -1.048 0.000 0.714 66 K HN 0.330 nan 8.250 nan 0.000 0.438 67 R N 0.426 120.786 120.500 -0.232 0.000 2.091 67 R HA -0.100 4.245 4.340 0.007 0.000 0.238 67 R C 2.011 178.191 176.300 -0.200 0.000 1.136 67 R CA 2.337 58.299 56.100 -0.230 0.000 0.959 67 R CB -0.686 29.404 30.300 -0.351 0.000 0.856 67 R HN 0.177 nan 8.270 nan 0.000 0.437 68 T N -0.344 114.130 114.554 -0.134 0.000 2.737 68 T HA -0.170 4.185 4.350 0.007 0.000 0.265 68 T C 1.308 176.021 174.700 0.023 0.000 1.038 68 T CA 1.533 63.584 62.100 -0.081 0.000 1.144 68 T CB -0.532 68.289 68.868 -0.079 0.000 0.866 68 T HN 0.349 nan 8.240 nan 0.000 0.434 69 Y N 2.173 122.465 120.300 -0.013 0.000 2.181 69 Y HA -0.098 4.456 4.550 0.007 0.000 0.288 69 Y C 2.660 178.473 175.900 -0.146 0.000 1.146 69 Y CA 1.415 59.499 58.100 -0.027 0.000 1.164 69 Y CB -0.239 38.240 38.460 0.031 0.000 0.982 69 Y HN -0.022 nan 8.280 nan 0.000 0.515 70 R N 0.414 120.803 120.500 -0.186 0.000 2.070 70 R HA -0.213 4.131 4.340 0.007 0.000 0.233 70 R C 2.361 178.590 176.300 -0.118 0.000 1.137 70 R CA 1.993 58.035 56.100 -0.095 0.000 0.945 70 R CB -0.491 29.861 30.300 0.088 0.000 0.845 70 R HN 0.506 nan 8.270 nan 0.000 0.430 71 E N 0.165 120.281 120.200 -0.139 0.000 2.077 71 E HA -0.217 4.137 4.350 0.007 0.000 0.193 71 E C 2.022 178.545 176.600 -0.129 0.000 0.989 71 E CA 1.126 57.443 56.400 -0.139 0.000 0.800 71 E CB -0.041 29.556 29.700 -0.171 0.000 0.746 71 E HN 0.217 nan 8.360 nan 0.000 0.452 72 L N 1.407 122.544 121.223 -0.143 0.000 2.012 72 L HA -0.209 4.135 4.340 0.007 0.000 0.210 72 L C 2.327 179.128 176.870 -0.115 0.000 1.073 72 L CA 1.729 56.499 54.840 -0.117 0.000 0.748 72 L CB -0.464 41.554 42.059 -0.069 0.000 0.891 72 L HN 0.039 nan 8.230 nan 0.000 0.431 73 R N -0.990 119.373 120.500 -0.228 0.000 2.073 73 R HA -0.099 4.246 4.340 0.007 0.000 0.234 73 R C 2.138 178.482 176.300 0.074 0.000 1.134 73 R CA 1.045 57.071 56.100 -0.124 0.000 0.952 73 R CB -1.171 28.932 30.300 -0.327 0.000 0.850 73 R HN 0.284 nan 8.270 nan 0.000 0.433 74 L N 0.756 121.994 121.223 0.025 0.000 1.956 74 L HA -0.208 4.137 4.340 0.007 0.000 0.216 74 L C 2.326 179.182 176.870 -0.023 0.000 1.073 74 L CA 1.645 56.450 54.840 -0.059 0.000 0.762 74 L CB -1.192 40.829 42.059 -0.063 0.000 0.889 74 L HN 0.108 nan 8.230 nan 0.000 0.433 75 L N -0.789 120.419 121.223 -0.025 0.000 2.141 75 L HA -0.161 4.183 4.340 0.007 0.000 0.209 75 L C 2.429 179.332 176.870 0.056 0.000 1.094 75 L CA 1.438 56.270 54.840 -0.013 0.000 0.763 75 L CB -0.940 41.083 42.059 -0.059 0.000 0.908 75 L HN 0.294 nan 8.230 nan 0.000 0.437 76 K N -1.562 118.895 120.400 0.096 0.000 2.097 76 K HA -0.211 4.113 4.320 0.007 0.000 0.206 76 K C 2.094 178.802 176.600 0.180 0.000 1.049 76 K CA 1.218 57.618 56.287 0.189 0.000 0.933 76 K CB -0.171 32.450 32.500 0.202 0.000 0.717 76 K HN 0.289 nan 8.250 nan 0.000 0.442 77 H N 0.074 119.176 119.070 0.054 0.000 2.428 77 H HA 0.086 4.647 4.556 0.007 0.000 0.296 77 H C 0.195 175.574 175.328 0.084 0.000 1.062 77 H CA 0.731 56.803 56.048 0.039 0.000 1.350 77 H CB 0.251 29.950 29.762 -0.106 0.000 1.403 77 H HN -0.070 nan 8.280 nan 0.000 0.533 78 M N 1.673 121.315 119.600 0.071 0.000 2.220 78 M HA 0.133 4.617 4.480 0.007 0.000 0.343 78 M C -0.574 175.738 176.300 0.021 0.000 1.470 78 M CA 0.695 56.064 55.300 0.115 0.000 1.161 78 M CB 0.363 33.011 32.600 0.079 0.000 1.737 78 M HN 0.123 nan 8.290 nan 0.000 0.464 79 K N 2.870 123.256 120.400 -0.022 0.000 2.753 79 K HA 0.370 4.694 4.320 0.007 0.000 0.185 79 K C -1.232 175.183 176.600 -0.308 0.000 1.071 79 K CA -0.298 55.926 56.287 -0.105 0.000 0.999 79 K CB 1.018 33.494 32.500 -0.039 0.000 1.244 79 K HN 0.598 nan 8.250 nan 0.000 0.594 80 H N -0.503 118.254 119.070 -0.522 0.000 2.930 80 H HA 0.170 4.730 4.556 0.007 0.000 0.371 80 H C 0.445 175.577 175.328 -0.325 0.000 1.169 80 H CA -0.497 55.178 56.048 -0.621 0.000 1.157 80 H CB 1.635 30.692 29.762 -1.176 0.000 1.789 80 H HN 0.292 nan 8.280 nan 0.000 0.547 81 E N 1.619 121.486 120.200 -0.554 0.000 2.097 81 E HA -0.208 4.147 4.350 0.007 0.000 0.196 81 E C 0.236 176.774 176.600 -0.104 0.000 1.000 81 E CA 1.768 58.003 56.400 -0.276 0.000 0.804 81 E CB 0.044 29.573 29.700 -0.285 0.000 0.740 81 E HN 0.594 nan 8.360 nan 0.000 0.454 82 N N -0.501 118.245 118.700 0.077 0.000 2.235 82 N HA 0.082 4.826 4.740 0.007 0.000 0.209 82 N C -1.142 174.354 175.510 -0.024 0.000 1.122 82 N CA -0.257 52.807 53.050 0.023 0.000 0.845 82 N CB 1.242 39.724 38.487 -0.007 0.000 1.004 82 N HN -0.149 nan 8.380 nan 0.000 0.499 83 V N 0.960 120.858 119.914 -0.027 0.000 2.823 83 V HA 0.308 4.432 4.120 0.007 0.000 0.312 83 V C 0.063 176.123 176.094 -0.055 0.000 1.072 83 V CA -1.201 61.059 62.300 -0.067 0.000 0.937 83 V CB 2.659 34.421 31.823 -0.102 0.000 1.013 83 V HN 0.133 nan 8.190 nan 0.000 0.430 84 I N 2.850 123.389 120.570 -0.052 0.000 2.683 84 I HA 0.382 4.557 4.170 0.007 0.000 0.286 84 I C 0.851 176.954 176.117 -0.023 0.000 1.175 84 I CA 0.677 61.952 61.300 -0.042 0.000 1.429 84 I CB 0.393 38.342 38.000 -0.085 0.000 1.371 84 I HN 0.815 nan 8.210 nan 0.000 0.569 85 G N 7.353 116.160 108.800 0.010 0.000 2.434 85 G HA2 0.449 4.413 3.960 0.007 0.000 0.330 85 G HA3 0.449 4.413 3.960 0.007 0.000 0.330 85 G C -0.943 173.962 174.900 0.008 0.000 1.155 85 G CA -0.824 44.289 45.100 0.021 0.000 0.917 85 G HN 0.613 nan 8.290 nan 0.000 0.493 86 L N 1.848 123.098 121.223 0.045 0.000 2.278 86 L HA 0.259 4.603 4.340 0.007 0.000 0.287 86 L C 1.088 178.015 176.870 0.095 0.000 1.072 86 L CA -0.516 54.331 54.840 0.013 0.000 0.819 86 L CB 1.175 43.251 42.059 0.028 0.000 1.176 86 L HN 0.542 nan 8.230 nan 0.000 0.435 87 L N 2.764 123.973 121.223 -0.022 0.000 2.131 87 L HA 0.089 4.433 4.340 0.007 0.000 0.206 87 L C 0.127 177.110 176.870 0.189 0.000 1.087 87 L CA 0.795 55.668 54.840 0.054 0.000 0.767 87 L CB -0.035 41.963 42.059 -0.103 0.000 0.917 87 L HN 0.618 nan 8.230 nan 0.000 0.441 88 D N -1.710 118.624 120.400 -0.110 0.000 2.706 88 D HA 0.357 5.002 4.640 0.007 0.000 0.225 88 D C -1.611 174.390 176.300 -0.497 0.000 1.241 88 D CA -0.228 53.636 54.000 -0.227 0.000 0.784 88 D CB 2.544 43.480 40.800 0.226 0.000 1.521 88 D HN -0.263 nan 8.370 nan 0.000 0.461 89 V N 3.661 123.199 119.914 -0.627 0.000 2.735 89 V HA 0.938 5.062 4.120 0.007 0.000 0.310 89 V C -1.499 174.599 176.094 0.007 0.000 1.061 89 V CA -0.456 61.632 62.300 -0.353 0.000 0.913 89 V CB 1.216 32.816 31.823 -0.371 0.000 1.005 89 V HN 0.516 nan 8.190 nan 0.000 0.428 90 F N 2.328 122.340 119.950 0.103 0.000 2.645 90 F HA 0.846 5.377 4.527 0.006 0.000 0.310 90 F C -0.690 175.319 175.800 0.349 0.000 1.102 90 F CA -0.722 57.410 58.000 0.220 0.000 0.952 90 F CB 1.721 40.875 39.000 0.256 0.000 1.326 90 F HN 0.503 nan 8.300 nan 0.000 0.456 91 T N 1.625 116.536 114.554 0.594 0.000 2.876 91 T HA 0.518 4.872 4.350 0.007 0.000 0.289 91 T C -2.218 172.633 174.700 0.253 0.000 1.014 91 T CA -2.051 60.371 62.100 0.537 0.000 0.986 91 T CB 1.841 71.035 68.868 0.544 0.000 1.021 91 T HN 0.581 nan 8.240 nan 0.000 0.458 92 P HA 0.226 nan 4.420 nan 0.000 0.245 92 P C 0.133 177.248 177.300 -0.308 0.000 1.212 92 P CA -0.047 62.627 63.100 -0.710 0.000 0.774 92 P CB -0.142 31.306 31.700 -0.421 0.000 0.999 93 A N 0.614 123.437 122.820 0.004 0.000 2.425 93 A HA 0.194 4.518 4.320 0.007 0.000 0.249 93 A C 1.340 178.943 177.584 0.031 0.000 1.084 93 A CA -0.228 51.849 52.037 0.066 0.000 0.781 93 A CB 0.070 19.205 19.000 0.225 0.000 1.019 93 A HN -0.018 nan 8.150 nan 0.000 0.490 94 R N 0.036 120.545 120.500 0.015 0.000 2.308 94 R HA 0.120 4.464 4.340 0.007 0.000 0.202 94 R C 0.340 176.679 176.300 0.065 0.000 0.898 94 R CA 0.931 57.047 56.100 0.027 0.000 1.046 94 R CB 0.133 30.433 30.300 0.001 0.000 1.026 94 R HN 0.916 nan 8.270 nan 0.000 0.512 95 S N -1.870 113.851 115.700 0.035 0.000 2.756 95 S HA 0.146 4.620 4.470 0.007 0.000 0.292 95 S C 0.262 174.707 174.600 -0.258 0.000 1.175 95 S CA -0.904 57.291 58.200 -0.007 0.000 0.833 95 S CB 0.895 64.082 63.200 -0.022 0.000 1.184 95 S HN -0.009 nan 8.310 nan 0.000 0.506 96 L N 1.008 122.006 121.223 -0.374 0.000 2.156 96 L HA 0.290 4.634 4.340 0.007 0.000 0.208 96 L C 2.031 178.728 176.870 -0.289 0.000 1.095 96 L CA 1.925 56.372 54.840 -0.655 0.000 0.770 96 L CB -1.310 40.503 42.059 -0.411 0.000 0.914 96 L HN 0.839 nan 8.230 nan 0.000 0.439 97 E N -0.230 119.878 120.200 -0.153 0.000 2.152 97 E HA -0.156 4.198 4.350 0.007 0.000 0.192 97 E C 1.981 178.552 176.600 -0.049 0.000 0.983 97 E CA 1.216 57.566 56.400 -0.082 0.000 0.818 97 E CB -0.065 29.603 29.700 -0.054 0.000 0.758 97 E HN 0.578 nan 8.360 nan 0.000 0.467 98 E N -0.298 119.881 120.200 -0.036 0.000 2.299 98 E HA -0.031 4.323 4.350 0.007 0.000 0.193 98 E C -0.165 176.483 176.600 0.079 0.000 0.998 98 E CA -0.265 56.142 56.400 0.013 0.000 0.851 98 E CB 0.061 29.770 29.700 0.015 0.000 0.795 98 E HN 0.120 nan 8.360 nan 0.000 0.492 99 F N 2.181 122.046 119.950 -0.142 0.000 2.518 99 F HA -0.017 4.514 4.527 0.006 0.000 0.375 99 F C 0.688 176.516 175.800 0.047 0.000 1.097 99 F CA 0.228 58.178 58.000 -0.084 0.000 1.108 99 F CB 0.023 38.843 39.000 -0.300 0.000 1.078 99 F HN -0.101 nan 8.300 nan 0.000 0.564 100 N N 2.886 121.542 118.700 -0.074 0.000 2.129 100 N HA 0.038 4.782 4.740 0.007 0.000 0.222 100 N C -0.982 174.442 175.510 -0.143 0.000 1.303 100 N CA 0.044 53.048 53.050 -0.077 0.000 0.897 100 N CB 0.653 39.127 38.487 -0.022 0.000 1.093 100 N HN 0.459 nan 8.380 nan 0.000 0.501 101 D N 0.715 121.059 120.400 -0.093 0.000 2.780 101 D HA 0.425 5.070 4.640 0.007 0.000 0.242 101 D C -0.763 175.592 176.300 0.092 0.000 1.135 101 D CA -0.241 53.720 54.000 -0.065 0.000 0.859 101 D CB 3.403 44.229 40.800 0.044 0.000 1.530 101 D HN -0.318 nan 8.370 nan 0.000 0.493 102 V N 2.370 122.190 119.914 -0.156 0.000 2.686 102 V HA 0.433 4.557 4.120 0.007 0.000 0.306 102 V C -1.291 174.580 176.094 -0.371 0.000 1.065 102 V CA -0.763 61.507 62.300 -0.049 0.000 0.894 102 V CB 1.663 33.470 31.823 -0.028 0.000 1.004 102 V HN 0.425 nan 8.190 nan 0.000 0.424 103 Y N 4.339 124.432 120.300 -0.346 0.000 2.361 103 Y HA 0.750 5.304 4.550 0.006 0.000 0.337 103 Y C -0.319 175.227 175.900 -0.590 0.000 0.965 103 Y CA -0.674 57.076 58.100 -0.583 0.000 1.091 103 Y CB 2.028 39.801 38.460 -1.146 0.000 1.182 103 Y HN 0.479 nan 8.280 nan 0.000 0.450 104 L N 4.135 125.190 121.223 -0.280 0.000 2.346 104 L HA 0.786 5.130 4.340 0.007 0.000 0.276 104 L C -0.946 175.797 176.870 -0.211 0.000 1.006 104 L CA -1.092 53.594 54.840 -0.257 0.000 0.817 104 L CB 1.721 43.662 42.059 -0.197 0.000 1.272 104 L HN 0.274 nan 8.230 nan 0.000 0.421 105 V N 1.250 121.032 119.914 -0.220 0.000 2.409 105 V HA 0.610 4.735 4.120 0.007 0.000 0.291 105 V C 0.015 176.024 176.094 -0.142 0.000 1.020 105 V CA -0.344 61.855 62.300 -0.169 0.000 0.848 105 V CB 1.558 33.280 31.823 -0.168 0.000 0.990 105 V HN 0.851 nan 8.190 nan 0.000 0.430 106 T N 2.142 116.628 114.554 -0.114 0.000 2.888 106 T HA 0.519 4.874 4.350 0.007 0.000 0.288 106 T C -0.442 174.200 174.700 -0.096 0.000 1.063 106 T CA -0.537 61.492 62.100 -0.117 0.000 1.010 106 T CB 1.032 69.853 68.868 -0.078 0.000 1.214 106 T HN 0.790 nan 8.240 nan 0.000 0.533 107 H N 0.932 120.002 119.070 0.001 0.000 2.928 107 H HA 0.286 4.846 4.556 0.007 0.000 0.338 107 H C 0.065 175.405 175.328 0.020 0.000 1.047 107 H CA -0.329 55.729 56.048 0.017 0.000 1.435 107 H CB 0.380 30.149 29.762 0.011 0.000 1.428 107 H HN 0.228 nan 8.280 nan 0.000 0.590 108 L N 4.248 125.575 121.223 0.173 0.000 2.477 108 L HA 0.044 4.389 4.340 0.007 0.000 0.272 108 L C -0.561 176.390 176.870 0.135 0.000 1.157 108 L CA 0.167 55.088 54.840 0.135 0.000 0.889 108 L CB -0.020 42.114 42.059 0.126 0.000 1.158 108 L HN 0.567 nan 8.230 nan 0.000 0.473 109 M N 4.347 124.037 119.600 0.150 0.000 2.368 109 M HA 0.651 5.135 4.480 0.007 0.000 0.311 109 M C 0.462 176.867 176.300 0.175 0.000 1.168 109 M CA -0.497 54.905 55.300 0.170 0.000 1.044 109 M CB 1.072 33.822 32.600 0.249 0.000 1.506 109 M HN 0.698 nan 8.290 nan 0.000 0.475 110 G N 0.729 109.610 108.800 0.134 0.000 2.020 110 G HA2 0.602 4.566 3.960 0.007 0.000 0.304 110 G HA3 0.602 4.566 3.960 0.007 0.000 0.304 110 G C -1.179 173.754 174.900 0.055 0.000 1.500 110 G CA 0.027 45.175 45.100 0.080 0.000 1.120 110 G HN 1.185 nan 8.290 nan 0.000 0.555 111 A N 1.611 124.451 122.820 0.034 0.000 2.435 111 A HA 0.346 4.671 4.320 0.007 0.000 0.686 111 A C -0.045 177.561 177.584 0.037 0.000 0.138 111 A CA 0.355 52.402 52.037 0.017 0.000 0.026 111 A CB -1.255 17.753 19.000 0.013 0.000 3.973 111 A HN 2.136 nan 8.150 nan 0.000 0.548 112 D N 1.289 121.698 120.400 0.015 0.000 2.564 112 D HA 0.598 5.242 4.640 0.007 0.000 0.273 112 D C 0.981 177.283 176.300 0.002 0.000 1.192 112 D CA -0.364 53.656 54.000 0.033 0.000 1.080 112 D CB 0.175 40.990 40.800 0.026 0.000 1.160 112 D HN 0.749 nan 8.370 nan 0.000 0.607 113 L N -0.277 120.941 121.223 -0.010 0.000 2.478 113 L HA 0.112 4.456 4.340 0.007 0.000 0.223 113 L C 1.385 178.242 176.870 -0.022 0.000 1.140 113 L CA 1.141 55.965 54.840 -0.026 0.000 0.842 113 L CB -0.859 41.171 42.059 -0.048 0.000 0.953 113 L HN 0.495 nan 8.230 nan 0.000 0.452 114 N N -1.036 117.650 118.700 -0.022 0.000 2.446 114 N HA -0.077 4.667 4.740 0.007 0.000 0.179 114 N C 1.286 176.794 175.510 -0.003 0.000 1.054 114 N CA 0.440 53.486 53.050 -0.008 0.000 0.905 114 N CB 0.185 38.663 38.487 -0.015 0.000 0.973 114 N HN 0.555 nan 8.380 nan 0.000 0.448 115 N N 0.149 118.841 118.700 -0.013 0.000 2.290 115 N HA -0.019 4.725 4.740 0.007 0.000 0.179 115 N C 1.381 176.885 175.510 -0.010 0.000 1.016 115 N CA 0.430 53.473 53.050 -0.012 0.000 0.871 115 N CB 0.290 38.767 38.487 -0.017 0.000 0.987 115 N HN 0.095 nan 8.380 nan 0.000 0.431 116 I N 0.224 120.786 120.570 -0.013 0.000 2.333 116 I HA -0.128 4.046 4.170 0.007 0.000 0.246 116 I C 2.093 178.200 176.117 -0.017 0.000 1.106 116 I CA 0.607 61.895 61.300 -0.020 0.000 1.411 116 I CB -0.144 37.840 38.000 -0.026 0.000 1.082 116 I HN -0.077 nan 8.210 nan 0.000 0.420 117 V N 0.047 119.958 119.914 -0.005 0.000 2.667 117 V HA -0.231 3.893 4.120 0.007 0.000 0.252 117 V C 2.395 178.497 176.094 0.012 0.000 1.065 117 V CA 1.616 63.919 62.300 0.007 0.000 1.083 117 V CB -0.228 31.607 31.823 0.020 0.000 0.692 117 V HN 0.290 nan 8.190 nan 0.000 0.468 118 K N -1.198 119.210 120.400 0.013 0.000 2.243 118 K HA 0.088 4.412 4.320 0.007 0.000 0.201 118 K C 1.429 178.034 176.600 0.008 0.000 1.051 118 K CA 1.317 57.614 56.287 0.017 0.000 0.970 118 K CB -0.155 32.358 32.500 0.022 0.000 0.755 118 K HN 0.520 nan 8.250 nan 0.000 0.465 119 C N 0.023 119.323 119.300 -0.001 0.000 3.240 119 C HA 0.371 4.835 4.460 0.007 0.000 0.271 119 C C -0.718 174.264 174.990 -0.013 0.000 1.534 119 C CA -0.612 58.403 59.018 -0.004 0.000 1.796 119 C CB -0.364 27.373 27.740 -0.005 0.000 2.892 119 C HN 0.382 nan 8.230 nan 0.000 0.566 120 Q N 0.987 120.775 119.800 -0.020 0.000 2.295 120 Q HA 0.339 4.684 4.340 0.007 0.000 0.268 120 Q C -0.964 175.014 176.000 -0.036 0.000 1.010 120 Q CA -0.200 55.580 55.803 -0.038 0.000 0.856 120 Q CB 0.832 29.528 28.738 -0.069 0.000 1.349 120 Q HN -0.054 nan 8.270 nan 0.000 0.412 121 K N 3.865 124.248 120.400 -0.027 0.000 2.383 121 K HA 0.302 4.627 4.320 0.007 0.000 0.286 121 K C -1.010 175.577 176.600 -0.021 0.000 1.051 121 K CA 0.058 56.342 56.287 -0.005 0.000 0.974 121 K CB -0.006 32.505 32.500 0.017 0.000 0.968 121 K HN 0.761 nan 8.250 nan 0.000 0.475 122 L N 3.837 125.069 121.223 0.015 0.000 2.296 122 L HA 0.284 4.628 4.340 0.007 0.000 0.286 122 L C 0.917 177.903 176.870 0.194 0.000 1.023 122 L CA -0.686 54.188 54.840 0.055 0.000 0.812 122 L CB 1.630 43.717 42.059 0.046 0.000 1.223 122 L HN 0.662 nan 8.230 nan 0.000 0.421 123 T N -2.531 112.273 114.554 0.416 0.000 2.824 123 T HA 0.093 4.447 4.350 0.007 0.000 0.277 123 T C 0.688 175.505 174.700 0.196 0.000 0.975 123 T CA -0.588 61.666 62.100 0.256 0.000 0.966 123 T CB 1.456 70.433 68.868 0.180 0.000 1.054 123 T HN 0.613 nan 8.240 nan 0.000 0.533 124 D N -0.262 120.217 120.400 0.132 0.000 2.144 124 D HA -0.150 4.494 4.640 0.007 0.000 0.199 124 D C 1.666 178.043 176.300 0.129 0.000 0.984 124 D CA 1.389 55.480 54.000 0.152 0.000 0.834 124 D CB -0.349 40.537 40.800 0.144 0.000 0.955 124 D HN 0.787 nan 8.370 nan 0.000 0.465 125 D N -1.513 118.920 120.400 0.055 0.000 2.149 125 D HA -0.202 4.443 4.640 0.007 0.000 0.198 125 D C 1.678 178.017 176.300 0.066 0.000 0.990 125 D CA 1.393 55.412 54.000 0.031 0.000 0.839 125 D CB -0.115 40.636 40.800 -0.081 0.000 0.948 125 D HN 0.433 nan 8.370 nan 0.000 0.460 126 H N -1.238 117.915 119.070 0.138 0.000 2.357 126 H HA -0.023 4.538 4.556 0.007 0.000 0.301 126 H C 2.215 177.632 175.328 0.148 0.000 1.082 126 H CA 1.285 57.422 56.048 0.148 0.000 1.342 126 H CB 0.122 29.949 29.762 0.109 0.000 1.389 126 H HN 0.038 nan 8.280 nan 0.000 0.511 127 V N 0.724 120.797 119.914 0.264 0.000 2.427 127 V HA -0.258 3.866 4.120 0.007 0.000 0.248 127 V C 2.145 178.393 176.094 0.257 0.000 1.051 127 V CA 1.682 64.120 62.300 0.231 0.000 1.048 127 V CB -0.465 31.497 31.823 0.231 0.000 0.666 127 V HN 0.455 nan 8.190 nan 0.000 0.456 128 Q N -1.050 118.860 119.800 0.184 0.000 2.030 128 Q HA -0.226 4.119 4.340 0.007 0.000 0.204 128 Q C 2.209 178.365 176.000 0.261 0.000 0.986 128 Q CA 2.226 58.096 55.803 0.111 0.000 0.843 128 Q CB -0.289 28.445 28.738 -0.007 0.000 0.904 128 Q HN 0.602 nan 8.270 nan 0.000 0.420 129 F N 1.090 120.958 119.950 -0.138 0.000 2.075 129 F HA -0.185 4.347 4.527 0.007 0.000 0.297 129 F C 1.807 177.543 175.800 -0.106 0.000 1.113 129 F CA 1.207 58.960 58.000 -0.411 0.000 1.218 129 F CB -0.518 38.219 39.000 -0.438 0.000 0.984 129 F HN -0.005 nan 8.300 nan 0.000 0.472 130 L N -0.195 120.989 121.223 -0.064 0.000 1.944 130 L HA -0.318 4.026 4.340 0.007 0.000 0.218 130 L C 2.503 179.318 176.870 -0.093 0.000 1.075 130 L CA 1.346 56.111 54.840 -0.125 0.000 0.767 130 L CB -1.006 41.048 42.059 -0.009 0.000 0.890 130 L HN 0.087 nan 8.230 nan 0.000 0.434 131 I N -1.029 119.583 120.570 0.070 0.000 2.264 131 I HA -0.332 3.842 4.170 0.007 0.000 0.248 131 I C 2.493 178.542 176.117 -0.112 0.000 1.111 131 I CA 1.575 62.931 61.300 0.093 0.000 1.382 131 I CB -1.373 36.826 38.000 0.331 0.000 1.060 131 I HN 0.302 nan 8.210 nan 0.000 0.418 132 Y N 2.204 122.336 120.300 -0.279 0.000 2.114 132 Y HA -0.304 4.250 4.550 0.007 0.000 0.282 132 Y C 2.706 178.369 175.900 -0.396 0.000 1.165 132 Y CA 2.044 59.784 58.100 -0.599 0.000 1.148 132 Y CB -0.392 37.874 38.460 -0.324 0.000 0.972 132 Y HN 0.267 nan 8.280 nan 0.000 0.504 133 Q N -0.380 119.176 119.800 -0.406 0.000 2.167 133 Q HA -0.111 4.234 4.340 0.007 0.000 0.202 133 Q C 2.250 178.033 176.000 -0.361 0.000 0.970 133 Q CA 1.720 57.265 55.803 -0.430 0.000 0.855 133 Q CB -0.093 28.386 28.738 -0.431 0.000 0.911 133 Q HN 0.572 nan 8.270 nan 0.000 0.438 134 I N 0.254 120.639 120.570 -0.308 0.000 2.286 134 I HA -0.259 3.915 4.170 0.007 0.000 0.245 134 I C 2.025 177.970 176.117 -0.286 0.000 1.104 134 I CA 0.975 62.124 61.300 -0.251 0.000 1.397 134 I CB -0.149 37.738 38.000 -0.188 0.000 1.072 134 I HN 0.163 nan 8.210 nan 0.000 0.417 135 L N 0.202 121.222 121.223 -0.339 0.000 2.046 135 L HA -0.202 4.142 4.340 0.007 0.000 0.208 135 L C 2.770 179.424 176.870 -0.361 0.000 1.077 135 L CA 1.297 55.937 54.840 -0.334 0.000 0.747 135 L CB -0.582 41.252 42.059 -0.376 0.000 0.896 135 L HN 0.204 nan 8.230 nan 0.000 0.432 136 R N 0.255 120.459 120.500 -0.493 0.000 2.083 136 R HA -0.160 4.184 4.340 0.007 0.000 0.237 136 R C 2.274 178.397 176.300 -0.295 0.000 1.137 136 R CA 1.654 57.529 56.100 -0.375 0.000 0.951 136 R CB -0.518 29.502 30.300 -0.467 0.000 0.851 136 R HN 0.394 nan 8.270 nan 0.000 0.434 137 G N 0.658 109.266 108.800 -0.319 0.000 2.421 137 G HA2 -0.228 3.736 3.960 0.007 0.000 0.216 137 G HA3 -0.228 3.736 3.960 0.007 0.000 0.216 137 G C 1.220 175.921 174.900 -0.332 0.000 1.171 137 G CA 0.406 45.272 45.100 -0.390 0.000 0.775 137 G HN 0.189 nan 8.290 nan 0.000 0.543 138 L N 0.719 121.746 121.223 -0.327 0.000 2.093 138 L HA 0.062 4.407 4.340 0.007 0.000 0.208 138 L C 2.680 179.285 176.870 -0.442 0.000 1.085 138 L CA 1.554 56.116 54.840 -0.463 0.000 0.755 138 L CB -0.521 41.261 42.059 -0.462 0.000 0.904 138 L HN 0.183 nan 8.230 nan 0.000 0.435 139 K N -1.386 118.862 120.400 -0.253 0.000 2.063 139 K HA -0.280 4.045 4.320 0.007 0.000 0.208 139 K C 2.336 178.885 176.600 -0.086 0.000 1.048 139 K CA 1.885 58.102 56.287 -0.116 0.000 0.928 139 K CB -0.365 32.095 32.500 -0.066 0.000 0.713 139 K HN 0.307 nan 8.250 nan 0.000 0.442 140 Y N 1.251 121.378 120.300 -0.288 0.000 2.145 140 Y HA -0.199 4.355 4.550 0.007 0.000 0.286 140 Y C 1.968 177.769 175.900 -0.166 0.000 1.145 140 Y CA 1.793 59.729 58.100 -0.273 0.000 1.148 140 Y CB -0.148 37.926 38.460 -0.643 0.000 0.981 140 Y HN 0.002 nan 8.280 nan 0.000 0.507 141 I N -0.564 119.950 120.570 -0.094 0.000 2.226 141 I HA -0.349 3.826 4.170 0.007 0.000 0.245 141 I C 2.173 178.293 176.117 0.007 0.000 1.100 141 I CA 1.864 63.125 61.300 -0.065 0.000 1.374 141 I CB -0.551 37.421 38.000 -0.046 0.000 1.057 141 I HN 0.319 nan 8.210 nan 0.000 0.413 142 H N -0.386 118.649 119.070 -0.058 0.000 2.428 142 H HA -0.087 4.473 4.556 0.007 0.000 0.296 142 H C 2.494 177.794 175.328 -0.046 0.000 1.062 142 H CA 1.043 57.073 56.048 -0.031 0.000 1.350 142 H CB 0.091 29.849 29.762 -0.006 0.000 1.403 142 H HN 0.369 nan 8.280 nan 0.000 0.533 143 S N 0.789 116.512 115.700 0.037 0.000 2.423 143 S HA -0.062 4.412 4.470 0.007 0.000 0.231 143 S C 2.045 176.630 174.600 -0.025 0.000 1.014 143 S CA 0.661 58.856 58.200 -0.009 0.000 0.965 143 S CB -0.037 63.137 63.200 -0.043 0.000 0.785 143 S HN 0.393 nan 8.310 nan 0.000 0.495 144 A N 0.989 123.771 122.820 -0.063 0.000 2.302 144 A HA 0.243 4.567 4.320 0.007 0.000 0.219 144 A C 0.540 178.171 177.584 0.078 0.000 1.243 144 A CA 0.217 52.255 52.037 0.003 0.000 0.856 144 A CB -0.565 18.402 19.000 -0.056 0.000 0.893 144 A HN 0.367 nan 8.150 nan 0.000 0.491 145 D N -0.892 119.544 120.400 0.060 0.000 2.811 145 D HA -0.164 4.480 4.640 0.007 0.000 0.231 145 D C -0.372 175.981 176.300 0.089 0.000 1.157 145 D CA 1.064 55.100 54.000 0.060 0.000 0.716 145 D CB -1.184 39.638 40.800 0.038 0.000 1.077 145 D HN 0.575 nan 8.370 nan 0.000 0.428 146 I N 0.826 121.453 120.570 0.095 0.000 2.331 146 I HA 0.295 4.469 4.170 0.007 0.000 0.292 146 I C 0.894 177.112 176.117 0.168 0.000 0.998 146 I CA -0.538 60.817 61.300 0.092 0.000 1.267 146 I CB 1.231 39.228 38.000 -0.005 0.000 1.386 146 I HN -0.135 nan 8.210 nan 0.000 0.476 147 I N 5.307 125.961 120.570 0.140 0.000 2.354 147 I HA 0.180 4.355 4.170 0.007 0.000 0.292 147 I C 1.331 177.542 176.117 0.157 0.000 0.989 147 I CA -0.531 60.885 61.300 0.194 0.000 1.188 147 I CB 1.323 39.432 38.000 0.181 0.000 1.342 147 I HN 0.680 nan 8.210 nan 0.000 0.457 148 H N 6.618 125.756 119.070 0.114 0.000 2.290 148 H HA -0.106 4.454 4.556 0.007 0.000 0.298 148 H C 1.296 176.629 175.328 0.008 0.000 1.087 148 H CA 2.308 58.381 56.048 0.040 0.000 1.291 148 H CB 0.380 30.157 29.762 0.026 0.000 1.369 148 H HN 0.635 nan 8.280 nan 0.000 0.492 149 R N -1.152 119.472 120.500 0.207 0.000 3.749 149 R HA -0.181 4.163 4.340 0.007 0.000 0.476 149 R C -0.378 175.973 176.300 0.084 0.000 0.814 149 R CA 1.361 57.494 56.100 0.055 0.000 1.494 149 R CB -1.222 29.035 30.300 -0.071 0.000 2.164 149 R HN 0.341 nan 8.270 nan 0.000 0.473 150 D N 0.212 120.798 120.400 0.310 0.000 2.992 150 D HA 0.247 4.891 4.640 0.007 0.000 0.372 150 D C -0.774 175.619 176.300 0.154 0.000 1.374 150 D CA -0.154 53.981 54.000 0.225 0.000 0.769 150 D CB 0.391 41.277 40.800 0.143 0.000 1.215 150 D HN 0.081 nan 8.370 nan 0.000 0.473 151 L N 1.969 123.161 121.223 -0.051 0.000 2.360 151 L HA 0.302 4.646 4.340 0.007 0.000 0.276 151 L C 0.400 177.172 176.870 -0.164 0.000 1.121 151 L CA 0.391 55.055 54.840 -0.294 0.000 0.845 151 L CB 0.462 42.356 42.059 -0.274 0.000 1.143 151 L HN 0.144 nan 8.230 nan 0.000 0.452 152 K N 2.739 122.975 120.400 -0.272 0.000 2.579 152 K HA 0.408 4.733 4.320 0.007 0.000 0.284 152 K C -2.844 173.515 176.600 -0.403 0.000 0.990 152 K CA -1.597 54.378 56.287 -0.520 0.000 0.880 152 K CB 1.448 33.744 32.500 -0.341 0.000 1.488 152 K HN -0.036 nan 8.250 nan 0.000 0.425 153 P HA -0.198 nan 4.420 nan 0.000 0.218 153 P C 1.283 178.520 177.300 -0.105 0.000 1.148 153 P CA 1.704 64.670 63.100 -0.223 0.000 0.822 153 P CB 0.114 31.712 31.700 -0.170 0.000 0.784 154 S N -2.022 113.623 115.700 -0.091 0.000 2.555 154 S HA -0.025 4.449 4.470 0.007 0.000 0.230 154 S C 1.524 176.215 174.600 0.153 0.000 0.978 154 S CA 0.707 58.900 58.200 -0.013 0.000 0.934 154 S CB -0.937 62.236 63.200 -0.046 0.000 0.766 154 S HN 0.050 nan 8.310 nan 0.000 0.533 155 N N 0.834 119.596 118.700 0.105 0.000 2.230 155 N HA 0.344 5.089 4.740 0.007 0.000 0.202 155 N C -0.725 174.819 175.510 0.057 0.000 1.119 155 N CA 0.094 53.245 53.050 0.169 0.000 0.851 155 N CB 0.395 38.952 38.487 0.117 0.000 0.990 155 N HN 0.466 nan 8.380 nan 0.000 0.497 156 L N 0.831 122.071 121.223 0.028 0.000 2.287 156 L HA 0.610 4.954 4.340 0.007 0.000 0.287 156 L C 0.003 176.900 176.870 0.045 0.000 1.022 156 L CA -0.893 53.937 54.840 -0.018 0.000 0.814 156 L CB 1.755 43.765 42.059 -0.081 0.000 1.217 156 L HN -0.153 nan 8.230 nan 0.000 0.420 157 A N 4.083 126.921 122.820 0.030 0.000 2.276 157 A HA 0.761 5.085 4.320 0.007 0.000 0.316 157 A C -0.556 177.033 177.584 0.009 0.000 1.229 157 A CA -0.444 51.632 52.037 0.064 0.000 0.851 157 A CB 1.073 20.098 19.000 0.043 0.000 1.165 157 A HN 0.440 nan 8.150 nan 0.000 0.513 158 V N 4.402 124.328 119.914 0.019 0.000 2.525 158 V HA 0.277 4.401 4.120 0.007 0.000 0.299 158 V C -0.114 175.987 176.094 0.012 0.000 1.034 158 V CA -0.889 61.408 62.300 -0.005 0.000 0.863 158 V CB 1.591 33.404 31.823 -0.016 0.000 0.999 158 V HN 1.114 nan 8.190 nan 0.000 0.423 159 N N 3.548 122.255 118.700 0.011 0.000 2.374 159 N HA 0.189 4.933 4.740 0.007 0.000 0.284 159 N C 0.727 176.256 175.510 0.033 0.000 1.280 159 N CA -0.295 52.768 53.050 0.022 0.000 0.963 159 N CB 0.500 38.995 38.487 0.015 0.000 1.141 159 N HN 0.590 nan 8.380 nan 0.000 0.565 160 E N -1.432 118.790 120.200 0.036 0.000 2.208 160 E HA -0.034 4.320 4.350 0.007 0.000 0.193 160 E C -0.086 176.552 176.600 0.064 0.000 0.988 160 E CA 0.998 57.422 56.400 0.041 0.000 0.828 160 E CB -0.228 29.492 29.700 0.032 0.000 0.763 160 E HN 0.549 nan 8.360 nan 0.000 0.478 161 D N 0.252 120.700 120.400 0.080 0.000 2.352 161 D HA 0.045 4.689 4.640 0.007 0.000 0.236 161 D C -0.089 176.339 176.300 0.214 0.000 1.148 161 D CA 0.097 54.169 54.000 0.120 0.000 0.844 161 D CB -0.030 40.832 40.800 0.104 0.000 0.933 161 D HN 0.131 nan 8.370 nan 0.000 0.507 162 C N 1.423 120.829 119.300 0.176 0.000 4.297 162 C HA -0.183 4.281 4.460 0.007 0.000 0.290 162 C C 0.590 175.641 174.990 0.101 0.000 1.444 162 C CA 0.238 59.370 59.018 0.190 0.000 1.982 162 C CB -2.246 25.698 27.740 0.339 0.000 1.276 162 C HN 0.410 nan 8.230 nan 0.000 0.797 163 E N -0.325 119.922 120.200 0.079 0.000 2.313 163 E HA 0.542 4.896 4.350 0.007 0.000 0.276 163 E C -0.144 176.396 176.600 -0.100 0.000 1.031 163 E CA -0.213 56.167 56.400 -0.033 0.000 0.857 163 E CB 1.277 31.004 29.700 0.045 0.000 1.040 163 E HN 0.541 nan 8.360 nan 0.000 0.408 164 L N 2.728 123.845 121.223 -0.177 0.000 2.362 164 L HA 0.430 4.774 4.340 0.007 0.000 0.275 164 L C -1.065 175.730 176.870 -0.124 0.000 0.998 164 L CA -0.552 54.194 54.840 -0.156 0.000 0.820 164 L CB 1.045 42.974 42.059 -0.216 0.000 1.270 164 L HN 0.382 nan 8.230 nan 0.000 0.415 165 K N 5.612 125.957 120.400 -0.092 0.000 2.345 165 K HA 0.513 4.837 4.320 0.007 0.000 0.255 165 K C -1.068 175.480 176.600 -0.088 0.000 0.934 165 K CA -0.649 55.588 56.287 -0.084 0.000 0.801 165 K CB 2.154 34.614 32.500 -0.067 0.000 1.137 165 K HN 0.515 nan 8.250 nan 0.000 0.424 166 I N 5.669 126.184 120.570 -0.090 0.000 2.471 166 I HA 0.076 4.250 4.170 0.007 0.000 0.286 166 I C -0.190 175.897 176.117 -0.051 0.000 1.079 166 I CA -0.363 60.893 61.300 -0.074 0.000 1.398 166 I CB 0.048 38.005 38.000 -0.073 0.000 1.403 166 I HN 0.309 nan 8.210 nan 0.000 0.530 167 L N 3.890 125.084 121.223 -0.049 0.000 2.357 167 L HA 0.709 5.054 4.340 0.007 0.000 0.244 167 L C -0.988 175.893 176.870 0.018 0.000 1.115 167 L CA -0.992 53.789 54.840 -0.099 0.000 0.919 167 L CB 0.773 42.640 42.059 -0.320 0.000 1.532 167 L HN 0.336 nan 8.230 nan 0.000 0.416 168 D N -0.507 119.829 120.400 -0.107 0.000 2.469 168 D HA 0.368 5.012 4.640 0.007 0.000 0.251 168 D C -0.105 176.155 176.300 -0.066 0.000 1.173 168 D CA -0.268 53.707 54.000 -0.043 0.000 0.882 168 D CB 0.927 41.640 40.800 -0.145 0.000 1.129 168 D HN 0.407 nan 8.370 nan 0.000 0.549 169 F N 1.604 121.566 119.950 0.020 0.000 2.558 169 F HA 0.177 4.708 4.527 0.007 0.000 0.298 169 F C 2.040 177.847 175.800 0.012 0.000 1.119 169 F CA 0.253 58.260 58.000 0.011 0.000 1.451 169 F CB 0.004 39.012 39.000 0.013 0.000 1.091 169 F HN 0.415 nan 8.300 nan 0.000 0.563 170 G N 1.094 110.012 108.800 0.197 0.000 2.192 170 G HA2 0.088 4.052 3.960 0.007 0.000 0.258 170 G HA3 0.088 4.052 3.960 0.007 0.000 0.258 170 G C 0.634 175.600 174.900 0.111 0.000 1.185 170 G CA -0.196 44.990 45.100 0.144 0.000 0.976 170 G HN 0.375 nan 8.290 nan 0.000 0.446 171 L N 1.756 123.050 121.223 0.118 0.000 2.667 171 L HA 0.351 4.695 4.340 0.007 0.000 0.232 171 L C 1.510 178.478 176.870 0.163 0.000 1.138 171 L CA 0.018 54.930 54.840 0.119 0.000 0.921 171 L CB -0.146 41.971 42.059 0.096 0.000 1.180 171 L HN 0.628 nan 8.230 nan 0.000 0.487 172 A N -0.625 122.299 122.820 0.173 0.000 2.392 172 A HA 0.557 4.881 4.320 0.007 0.000 0.283 172 A C 0.756 178.480 177.584 0.233 0.000 1.197 172 A CA -0.534 51.587 52.037 0.141 0.000 0.895 172 A CB 1.074 20.102 19.000 0.048 0.000 1.400 172 A HN 0.046 nan 8.150 nan 0.000 0.461 173 R N -1.141 119.413 120.500 0.090 0.000 2.161 173 R HA 0.082 4.426 4.340 0.007 0.000 0.213 173 R C -0.460 175.947 176.300 0.178 0.000 1.055 173 R CA 1.095 57.243 56.100 0.080 0.000 0.996 173 R CB -0.653 29.613 30.300 -0.057 0.000 0.901 173 R HN 0.906 nan 8.270 nan 0.000 0.456 174 H N -0.245 118.845 119.070 0.034 0.000 2.983 174 H HA -0.153 4.407 4.556 0.007 0.000 0.327 174 H C -0.414 174.917 175.328 0.005 0.000 1.031 174 H CA 0.721 56.778 56.048 0.014 0.000 1.053 174 H CB -0.814 28.957 29.762 0.015 0.000 1.609 174 H HN 0.458 nan 8.280 nan 0.000 0.369 175 T N -1.910 112.637 114.554 -0.012 0.000 2.893 175 T HA 0.262 4.616 4.350 0.007 0.000 0.281 175 T C 1.214 175.913 174.700 -0.001 0.000 1.027 175 T CA -0.216 61.883 62.100 -0.002 0.000 0.953 175 T CB 1.322 70.174 68.868 -0.027 0.000 1.434 175 T HN 0.209 nan 8.240 nan 0.000 0.597 176 D N 0.567 120.966 120.400 -0.001 0.000 2.201 176 D HA 0.013 4.657 4.640 0.007 0.000 0.209 176 D C 1.882 178.185 176.300 0.004 0.000 0.961 176 D CA 1.216 55.220 54.000 0.007 0.000 0.861 176 D CB -0.393 40.405 40.800 -0.003 0.000 0.997 176 D HN 0.764 nan 8.370 nan 0.000 0.486 177 D N 1.186 121.579 120.400 -0.012 0.000 2.117 177 D HA -0.217 4.427 4.640 0.007 0.000 0.197 177 D C 1.713 177.993 176.300 -0.034 0.000 0.987 177 D CA 1.301 55.292 54.000 -0.015 0.000 0.829 177 D CB -0.950 39.838 40.800 -0.020 0.000 0.961 177 D HN 0.448 nan 8.370 nan 0.000 0.460 178 E N -0.417 119.742 120.200 -0.069 0.000 2.331 178 E HA -0.164 4.190 4.350 0.007 0.000 0.199 178 E C 1.633 178.146 176.600 -0.144 0.000 1.008 178 E CA 0.906 57.231 56.400 -0.124 0.000 0.843 178 E CB -0.192 29.397 29.700 -0.184 0.000 0.761 178 E HN 0.176 nan 8.360 nan 0.000 0.507 179 M N 1.038 120.589 119.600 -0.080 0.000 2.428 179 M HA 0.149 4.633 4.480 0.007 0.000 0.239 179 M C -0.054 176.252 176.300 0.010 0.000 1.121 179 M CA 0.417 55.686 55.300 -0.052 0.000 1.019 179 M CB 0.519 33.140 32.600 0.036 0.000 1.485 179 M HN -0.055 nan 8.290 nan 0.000 0.484 180 T N 0.634 115.210 114.554 0.035 0.000 2.875 180 T HA 0.646 5.000 4.350 0.007 0.000 0.284 180 T C 0.717 175.446 174.700 0.049 0.000 0.995 180 T CA 0.298 62.450 62.100 0.087 0.000 1.060 180 T CB 1.872 70.781 68.868 0.068 0.000 0.967 180 T HN 0.571 nan 8.240 nan 0.000 0.476 181 G N 1.392 110.249 108.800 0.095 0.000 2.466 181 G HA2 -0.201 3.763 3.960 0.007 0.000 0.218 181 G HA3 -0.201 3.763 3.960 0.007 0.000 0.218 181 G C -0.917 174.103 174.900 0.201 0.000 1.237 181 G CA -0.598 44.581 45.100 0.131 0.000 0.954 181 G HN 0.728 nan 8.290 nan 0.000 0.580 182 Y N 1.857 122.215 120.300 0.096 0.000 2.812 182 Y HA 0.517 5.071 4.550 0.007 0.000 0.354 182 Y C 0.821 176.800 175.900 0.132 0.000 1.276 182 Y CA -0.223 58.014 58.100 0.228 0.000 1.639 182 Y CB -0.090 38.501 38.460 0.219 0.000 1.741 182 Y HN 1.001 nan 8.280 nan 0.000 0.479 183 V N 0.298 120.020 119.914 -0.320 0.000 2.540 183 V HA 0.740 4.864 4.120 0.007 0.000 0.302 183 V C 0.812 175.911 176.094 -1.658 0.000 1.035 183 V CA -0.296 61.548 62.300 -0.759 0.000 0.873 183 V CB 1.104 32.692 31.823 -0.393 0.000 0.992 183 V HN 0.441 nan 8.190 nan 0.000 0.428 184 A N 3.069 124.816 122.820 -1.787 0.000 2.076 184 A HA -0.115 4.209 4.320 0.007 0.000 0.220 184 A C 2.115 179.370 177.584 -0.549 0.000 1.160 184 A CA 2.460 53.642 52.037 -1.424 0.000 0.653 184 A CB -0.922 17.692 19.000 -0.643 0.000 0.801 184 A HN 1.569 nan 8.150 nan 0.000 0.455 185 T N -3.632 110.652 114.554 -0.449 0.000 3.051 185 T HA -0.044 4.310 4.350 0.007 0.000 0.269 185 T C 1.659 176.277 174.700 -0.135 0.000 1.127 185 T CA 1.343 63.327 62.100 -0.193 0.000 1.107 185 T CB -0.131 68.607 68.868 -0.218 0.000 0.898 185 T HN 0.508 nan 8.240 nan 0.000 0.517 186 R N -1.534 118.797 120.500 -0.283 0.000 2.394 186 R HA 0.168 4.512 4.340 0.007 0.000 0.220 186 R C 1.236 177.499 176.300 -0.062 0.000 0.887 186 R CA -0.177 55.812 56.100 -0.185 0.000 1.034 186 R CB 0.214 30.345 30.300 -0.281 0.000 1.179 186 R HN 0.377 nan 8.270 nan 0.000 0.561 187 W N 0.224 121.402 121.300 -0.204 0.000 2.392 187 W HA -0.120 4.545 4.660 0.007 0.000 0.279 187 W C 0.818 177.099 176.519 -0.397 0.000 1.225 187 W CA 0.655 57.766 57.345 -0.391 0.000 1.233 187 W CB -0.701 28.359 29.460 -0.667 0.000 1.122 187 W HN 0.129 nan 8.180 nan 0.000 0.561 188 Y N -0.043 120.436 120.300 0.297 0.000 2.458 188 Y HA 0.206 4.760 4.550 0.007 0.000 0.256 188 Y C 1.255 177.330 175.900 0.291 0.000 1.159 188 Y CA -0.320 57.950 58.100 0.284 0.000 1.261 188 Y CB -0.334 38.232 38.460 0.176 0.000 1.119 188 Y HN -0.366 nan 8.280 nan 0.000 0.524 189 R N 1.107 121.759 120.500 0.254 0.000 2.490 189 R HA 0.545 4.890 4.340 0.007 0.000 0.278 189 R C 0.233 176.507 176.300 -0.043 0.000 1.069 189 R CA -0.298 55.862 56.100 0.099 0.000 1.080 189 R CB 0.669 30.942 30.300 -0.045 0.000 1.030 189 R HN 0.119 nan 8.270 nan 0.000 0.491 190 A N 4.127 126.839 122.820 -0.181 0.000 2.477 190 A HA 0.177 4.501 4.320 0.007 0.000 0.246 190 A C -1.175 175.968 177.584 -0.736 0.000 1.078 190 A CA -1.150 50.514 52.037 -0.622 0.000 0.770 190 A CB 0.015 18.847 19.000 -0.280 0.000 1.011 190 A HN 0.511 nan 8.150 nan 0.000 0.494 191 P HA -0.223 nan 4.420 nan 0.000 0.219 191 P C 0.991 177.505 177.300 -1.311 0.000 1.146 191 P CA 1.596 64.031 63.100 -1.109 0.000 0.808 191 P CB 0.125 31.109 31.700 -1.193 0.000 0.779 192 E N 0.027 119.723 120.200 -0.841 0.000 2.208 192 E HA -0.105 4.249 4.350 0.007 0.000 0.193 192 E C 2.131 178.540 176.600 -0.317 0.000 0.988 192 E CA 0.665 56.800 56.400 -0.442 0.000 0.828 192 E CB -1.005 28.743 29.700 0.081 0.000 0.763 192 E HN 0.314 nan 8.360 nan 0.000 0.478 193 I N 0.008 120.373 120.570 -0.341 0.000 2.867 193 I HA -0.022 4.152 4.170 0.007 0.000 0.265 193 I C 2.622 178.580 176.117 -0.265 0.000 1.162 193 I CA 0.154 61.280 61.300 -0.289 0.000 1.471 193 I CB 0.059 37.802 38.000 -0.429 0.000 1.123 193 I HN 0.040 nan 8.210 nan 0.000 0.440 194 M N 0.134 119.539 119.600 -0.324 0.000 2.080 194 M HA -0.233 4.251 4.480 0.007 0.000 0.260 194 M C 1.247 177.462 176.300 -0.140 0.000 1.068 194 M CA 1.950 57.111 55.300 -0.232 0.000 1.109 194 M CB 0.125 32.539 32.600 -0.311 0.000 1.342 194 M HN 0.174 nan 8.290 nan 0.000 0.405 195 L N 0.419 121.441 121.223 -0.334 0.000 2.640 195 L HA 0.193 4.537 4.340 0.007 0.000 0.230 195 L C -0.027 176.781 176.870 -0.103 0.000 1.123 195 L CA 0.535 55.226 54.840 -0.249 0.000 0.900 195 L CB -0.892 40.882 42.059 -0.474 0.000 1.146 195 L HN 0.371 nan 8.230 nan 0.000 0.484 196 N N -1.797 116.844 118.700 -0.099 0.000 2.727 196 N HA -0.244 4.500 4.740 0.007 0.000 0.251 196 N C 0.511 176.112 175.510 0.151 0.000 1.040 196 N CA 0.486 53.547 53.050 0.017 0.000 0.712 196 N CB -1.474 37.023 38.487 0.017 0.000 0.912 196 N HN 0.256 nan 8.380 nan 0.000 0.545 197 W N -0.041 121.238 121.300 -0.035 0.000 2.409 197 W HA 0.199 4.863 4.660 0.008 0.000 0.299 197 W C 1.426 177.915 176.519 -0.049 0.000 1.203 197 W CA 1.055 58.379 57.345 -0.036 0.000 1.298 197 W CB -0.193 29.246 29.460 -0.035 0.000 1.127 197 W HN 0.419 nan 8.180 nan 0.000 0.528 198 M N -2.929 116.786 119.600 0.192 0.000 3.012 198 M HA 0.293 4.777 4.480 0.007 0.000 0.272 198 M C -0.971 175.347 176.300 0.031 0.000 1.187 198 M CA -0.864 54.476 55.300 0.067 0.000 0.813 198 M CB 1.837 34.511 32.600 0.123 0.000 1.626 198 M HN -0.324 nan 8.290 nan 0.000 0.507 199 H N 2.228 121.345 119.070 0.077 0.000 2.975 199 H HA 0.270 4.830 4.556 0.007 0.000 0.303 199 H C -1.121 174.212 175.328 0.008 0.000 1.023 199 H CA 0.577 56.629 56.048 0.006 0.000 1.473 199 H CB 0.000 29.723 29.762 -0.066 0.000 1.498 199 H HN 0.610 nan 8.280 nan 0.000 0.549 200 Y N 2.447 122.836 120.300 0.148 0.000 2.289 200 Y HA 0.291 4.846 4.550 0.007 0.000 0.332 200 Y C 0.169 176.098 175.900 0.049 0.000 1.324 200 Y CA -1.086 57.058 58.100 0.075 0.000 1.478 200 Y CB 0.646 39.129 38.460 0.039 0.000 1.378 200 Y HN 0.639 nan 8.280 nan 0.000 0.558 201 N N -1.856 116.967 118.700 0.205 0.000 3.316 201 N HA 0.197 4.942 4.740 0.007 0.000 0.300 201 N C 0.114 175.676 175.510 0.087 0.000 1.567 201 N CA -0.795 52.297 53.050 0.070 0.000 0.821 201 N CB 0.577 39.064 38.487 0.000 0.000 1.748 201 N HN 0.686 nan 8.380 nan 0.000 0.603 202 Q N -0.847 118.903 119.800 -0.083 0.000 2.156 202 Q HA -0.220 4.124 4.340 0.007 0.000 0.211 202 Q C 1.215 177.108 176.000 -0.178 0.000 0.995 202 Q CA 2.948 58.544 55.803 -0.345 0.000 0.877 202 Q CB -0.702 27.652 28.738 -0.640 0.000 0.920 202 Q HN 0.882 nan 8.270 nan 0.000 0.416 203 T N -1.442 113.103 114.554 -0.015 0.000 2.977 203 T HA -0.107 4.247 4.350 0.007 0.000 0.271 203 T C 1.891 176.697 174.700 0.177 0.000 1.105 203 T CA 1.072 63.235 62.100 0.105 0.000 1.116 203 T CB -0.779 68.165 68.868 0.125 0.000 0.878 203 T HN 0.308 nan 8.240 nan 0.000 0.509 204 V N 0.122 120.130 119.914 0.157 0.000 2.546 204 V HA -0.185 3.939 4.120 0.007 0.000 0.254 204 V C 2.047 178.267 176.094 0.210 0.000 1.076 204 V CA 2.120 64.514 62.300 0.157 0.000 1.087 204 V CB -0.819 31.038 31.823 0.057 0.000 0.674 204 V HN 0.258 nan 8.190 nan 0.000 0.470 205 D N 0.391 120.924 120.400 0.221 0.000 2.149 205 D HA -0.018 4.626 4.640 0.007 0.000 0.201 205 D C 2.177 178.602 176.300 0.209 0.000 0.972 205 D CA 1.278 55.419 54.000 0.233 0.000 0.835 205 D CB -0.084 40.922 40.800 0.344 0.000 0.966 205 D HN 0.427 nan 8.370 nan 0.000 0.476 206 I N 0.582 121.292 120.570 0.233 0.000 2.226 206 I HA -0.235 3.939 4.170 0.007 0.000 0.245 206 I C 2.364 178.594 176.117 0.190 0.000 1.100 206 I CA 0.733 62.142 61.300 0.182 0.000 1.374 206 I CB -1.149 36.956 38.000 0.175 0.000 1.057 206 I HN 0.288 nan 8.210 nan 0.000 0.413 207 W N 2.098 123.465 121.300 0.111 0.000 2.318 207 W HA -0.269 4.395 4.660 0.007 0.000 0.313 207 W C 2.573 179.182 176.519 0.150 0.000 1.221 207 W CA 2.139 59.562 57.345 0.130 0.000 1.266 207 W CB -0.333 29.192 29.460 0.108 0.000 1.150 207 W HN 0.138 nan 8.180 nan 0.000 0.496 208 S N 0.638 116.547 115.700 0.347 0.000 2.382 208 S HA -0.186 4.288 4.470 0.007 0.000 0.228 208 S C 1.825 176.499 174.600 0.124 0.000 1.027 208 S CA 1.629 59.992 58.200 0.271 0.000 0.991 208 S CB -0.795 62.534 63.200 0.216 0.000 0.823 208 S HN 0.138 nan 8.310 nan 0.000 0.469 209 V N 1.941 121.892 119.914 0.061 0.000 2.261 209 V HA -0.150 3.974 4.120 0.007 0.000 0.246 209 V C 2.732 178.814 176.094 -0.021 0.000 1.047 209 V CA 1.968 64.272 62.300 0.007 0.000 1.015 209 V CB -1.652 30.170 31.823 -0.001 0.000 0.642 209 V HN 0.580 nan 8.190 nan 0.000 0.446 210 G N -1.130 107.627 108.800 -0.072 0.000 2.469 210 G HA2 -0.302 3.662 3.960 0.007 0.000 0.220 210 G HA3 -0.302 3.662 3.960 0.007 0.000 0.220 210 G C 1.719 176.522 174.900 -0.162 0.000 1.136 210 G CA 1.455 46.460 45.100 -0.159 0.000 0.759 210 G HN 0.536 nan 8.290 nan 0.000 0.562 211 C N 0.147 119.389 119.300 -0.097 0.000 2.436 211 C HA 0.036 4.501 4.460 0.007 0.000 0.277 211 C C 2.836 177.906 174.990 0.132 0.000 1.241 211 C CA 0.625 59.665 59.018 0.036 0.000 1.721 211 C CB -1.036 26.873 27.740 0.282 0.000 2.043 211 C HN 0.490 nan 8.230 nan 0.000 0.472 212 I N 0.608 121.270 120.570 0.154 0.000 2.163 212 I HA -0.321 3.854 4.170 0.007 0.000 0.243 212 I C 2.637 178.766 176.117 0.019 0.000 1.085 212 I CA 1.990 63.331 61.300 0.069 0.000 1.347 212 I CB -0.417 37.562 38.000 -0.035 0.000 1.044 212 I HN 0.402 nan 8.210 nan 0.000 0.408 213 M N 0.495 120.083 119.600 -0.020 0.000 2.117 213 M HA -0.200 4.284 4.480 0.007 0.000 0.262 213 M C 2.414 178.649 176.300 -0.107 0.000 1.065 213 M CA 2.122 57.397 55.300 -0.043 0.000 1.114 213 M CB -0.145 32.423 32.600 -0.053 0.000 1.361 213 M HN 0.244 nan 8.290 nan 0.000 0.408 214 A N 0.214 122.930 122.820 -0.173 0.000 1.892 214 A HA -0.280 4.044 4.320 0.007 0.000 0.218 214 A C 1.999 179.563 177.584 -0.034 0.000 1.188 214 A CA 2.256 54.175 52.037 -0.197 0.000 0.631 214 A CB -1.090 17.831 19.000 -0.131 0.000 0.822 214 A HN 0.743 nan 8.150 nan 0.000 0.447 215 E N -0.348 119.850 120.200 -0.004 0.000 2.150 215 E HA -0.122 4.232 4.350 0.007 0.000 0.193 215 E C 1.864 178.482 176.600 0.031 0.000 0.985 215 E CA 0.868 57.287 56.400 0.031 0.000 0.814 215 E CB -0.171 29.586 29.700 0.095 0.000 0.752 215 E HN 0.666 nan 8.360 nan 0.000 0.466 216 L N 0.306 121.542 121.223 0.022 0.000 2.156 216 L HA -0.115 4.230 4.340 0.007 0.000 0.208 216 L C 2.353 179.247 176.870 0.039 0.000 1.095 216 L CA 0.507 55.366 54.840 0.032 0.000 0.770 216 L CB -0.214 41.870 42.059 0.042 0.000 0.914 216 L HN 0.221 nan 8.230 nan 0.000 0.439 217 L N -0.550 120.685 121.223 0.020 0.000 2.217 217 L HA -0.109 4.235 4.340 0.007 0.000 0.211 217 L C 2.403 179.309 176.870 0.061 0.000 1.107 217 L CA 1.650 56.508 54.840 0.030 0.000 0.783 217 L CB -0.516 41.520 42.059 -0.038 0.000 0.919 217 L HN 0.417 nan 8.230 nan 0.000 0.442 218 T N -5.370 109.223 114.554 0.064 0.000 2.975 218 T HA 0.246 4.600 4.350 0.007 0.000 0.257 218 T C 1.405 176.122 174.700 0.029 0.000 1.003 218 T CA 0.412 62.548 62.100 0.060 0.000 0.932 218 T CB 0.751 69.661 68.868 0.071 0.000 1.087 218 T HN 0.305 nan 8.240 nan 0.000 0.512 219 G N 2.371 111.188 108.800 0.028 0.000 2.225 219 G HA2 -0.213 3.751 3.960 0.007 0.000 0.267 219 G HA3 -0.213 3.751 3.960 0.007 0.000 0.267 219 G C -0.133 174.773 174.900 0.010 0.000 1.024 219 G CA 0.030 45.143 45.100 0.021 0.000 0.784 219 G HN 0.700 nan 8.290 nan 0.000 0.507 220 R N -0.556 119.943 120.500 -0.003 0.000 2.626 220 R HA 0.426 4.771 4.340 0.007 0.000 0.274 220 R C -0.050 176.206 176.300 -0.074 0.000 1.031 220 R CA -0.478 55.597 56.100 -0.042 0.000 0.898 220 R CB 0.644 30.904 30.300 -0.065 0.000 1.222 220 R HN 0.163 nan 8.270 nan 0.000 0.455 221 T N 2.748 117.220 114.554 -0.136 0.000 2.908 221 T HA -0.013 4.341 4.350 0.007 0.000 0.301 221 T C 1.599 176.111 174.700 -0.314 0.000 1.019 221 T CA -0.194 61.768 62.100 -0.231 0.000 1.152 221 T CB 0.604 69.167 68.868 -0.508 0.000 0.966 221 T HN 0.359 nan 8.240 nan 0.000 0.540 222 L N 2.435 123.443 121.223 -0.359 0.000 2.044 222 L HA 0.221 4.565 4.340 0.007 0.000 0.205 222 L C 0.438 176.855 176.870 -0.754 0.000 1.075 222 L CA 1.724 56.192 54.840 -0.619 0.000 0.747 222 L CB -0.250 41.317 42.059 -0.821 0.000 0.903 222 L HN 0.644 nan 8.230 nan 0.000 0.435 223 F N 1.199 121.013 119.950 -0.226 0.000 2.471 223 F HA 0.403 4.934 4.527 0.007 0.000 0.318 223 F C -2.142 173.386 175.800 -0.452 0.000 1.308 223 F CA -2.907 54.966 58.000 -0.212 0.000 1.162 223 F CB -0.062 38.916 39.000 -0.037 0.000 1.383 223 F HN 0.037 nan 8.300 nan 0.000 0.552 224 P HA 0.181 nan 4.420 nan 0.000 0.247 224 P C 0.492 177.656 177.300 -0.226 0.000 1.756 224 P CA 0.177 62.654 63.100 -1.037 0.000 1.117 224 P CB 0.685 31.810 31.700 -0.958 0.000 1.869 225 G N 1.938 110.738 108.800 -0.000 0.000 2.380 225 G HA2 0.256 4.220 3.960 0.007 0.000 0.262 225 G HA3 0.256 4.220 3.960 0.007 0.000 0.262 225 G C 1.168 176.304 174.900 0.392 0.000 1.243 225 G CA -0.290 44.931 45.100 0.202 0.000 0.865 225 G HN 0.380 nan 8.290 nan 0.000 0.513 226 T N -1.081 113.690 114.554 0.360 0.000 3.072 226 T HA 0.068 4.422 4.350 0.007 0.000 0.266 226 T C 0.510 175.363 174.700 0.255 0.000 1.127 226 T CA 1.072 63.400 62.100 0.380 0.000 1.107 226 T CB -0.360 68.617 68.868 0.181 0.000 0.910 226 T HN 0.717 nan 8.240 nan 0.000 0.513 227 D N -1.330 119.189 120.400 0.199 0.000 2.738 227 D HA 0.065 4.710 4.640 0.007 0.000 0.308 227 D C 0.079 176.467 176.300 0.146 0.000 1.311 227 D CA -0.761 53.343 54.000 0.173 0.000 0.799 227 D CB 0.305 41.199 40.800 0.156 0.000 1.332 227 D HN 0.081 nan 8.370 nan 0.000 0.441 228 H N -0.497 118.587 119.070 0.023 0.000 2.352 228 H HA -0.072 4.488 4.556 0.007 0.000 0.299 228 H C 1.740 177.067 175.328 -0.002 0.000 1.097 228 H CA 1.084 57.126 56.048 -0.011 0.000 1.311 228 H CB 0.322 30.052 29.762 -0.052 0.000 1.377 228 H HN 0.240 nan 8.280 nan 0.000 0.504 229 I N 1.076 121.732 120.570 0.143 0.000 2.233 229 I HA -0.186 3.988 4.170 0.007 0.000 0.243 229 I C 2.290 178.482 176.117 0.124 0.000 1.093 229 I CA 1.122 62.486 61.300 0.106 0.000 1.380 229 I CB -1.086 36.933 38.000 0.032 0.000 1.067 229 I HN 0.184 nan 8.210 nan 0.000 0.413 230 D N 0.362 120.827 120.400 0.110 0.000 2.149 230 D HA -0.269 4.375 4.640 0.007 0.000 0.198 230 D C 2.237 178.592 176.300 0.092 0.000 0.990 230 D CA 1.352 55.413 54.000 0.102 0.000 0.839 230 D CB 0.021 40.884 40.800 0.105 0.000 0.948 230 D HN 0.348 nan 8.370 nan 0.000 0.460 231 Q N -0.835 119.014 119.800 0.081 0.000 2.119 231 Q HA -0.123 4.221 4.340 0.007 0.000 0.201 231 Q C 2.164 178.139 176.000 -0.042 0.000 0.972 231 Q CA 0.870 56.696 55.803 0.037 0.000 0.847 231 Q CB -0.152 28.600 28.738 0.024 0.000 0.903 231 Q HN 0.373 nan 8.270 nan 0.000 0.433 232 L N 0.917 122.137 121.223 -0.005 0.000 2.083 232 L HA -0.174 4.170 4.340 0.007 0.000 0.209 232 L C 1.853 178.749 176.870 0.042 0.000 1.083 232 L CA 1.808 56.653 54.840 0.008 0.000 0.752 232 L CB -0.181 41.954 42.059 0.127 0.000 0.899 232 L HN 0.041 nan 8.230 nan 0.000 0.433 233 K N -0.653 119.794 120.400 0.078 0.000 2.057 233 K HA -0.138 4.186 4.320 0.007 0.000 0.207 233 K C 2.056 178.693 176.600 0.061 0.000 1.049 233 K CA 1.671 58.003 56.287 0.076 0.000 0.931 233 K CB -0.348 32.204 32.500 0.087 0.000 0.714 233 K HN 0.341 nan 8.250 nan 0.000 0.440 234 L N 0.888 122.148 121.223 0.062 0.000 1.989 234 L HA -0.244 4.100 4.340 0.007 0.000 0.211 234 L C 2.446 179.370 176.870 0.090 0.000 1.071 234 L CA 1.379 56.288 54.840 0.115 0.000 0.749 234 L CB -0.569 41.611 42.059 0.202 0.000 0.890 234 L HN 0.174 nan 8.230 nan 0.000 0.431 235 I N -0.262 120.185 120.570 -0.206 0.000 2.091 235 I HA -0.353 3.822 4.170 0.007 0.000 0.239 235 I C 2.491 178.614 176.117 0.009 0.000 1.061 235 I CA 1.556 62.599 61.300 -0.428 0.000 1.317 235 I CB -0.275 37.410 38.000 -0.526 0.000 1.031 235 I HN 0.232 nan 8.210 nan 0.000 0.401 236 L N -0.007 121.241 121.223 0.040 0.000 2.131 236 L HA -0.207 4.138 4.340 0.007 0.000 0.210 236 L C 2.701 179.637 176.870 0.110 0.000 1.092 236 L CA 1.136 56.035 54.840 0.099 0.000 0.759 236 L CB -0.627 41.482 42.059 0.084 0.000 0.903 236 L HN 0.268 nan 8.230 nan 0.000 0.435 237 R N 0.429 120.989 120.500 0.099 0.000 2.105 237 R HA -0.217 4.128 4.340 0.007 0.000 0.239 237 R C 2.276 178.649 176.300 0.120 0.000 1.135 237 R CA 1.421 57.577 56.100 0.094 0.000 0.967 237 R CB -0.190 30.155 30.300 0.074 0.000 0.861 237 R HN 0.199 nan 8.270 nan 0.000 0.442 238 L N -0.054 121.274 121.223 0.174 0.000 2.044 238 L HA -0.063 4.281 4.340 0.007 0.000 0.205 238 L C 1.930 178.972 176.870 0.287 0.000 1.075 238 L CA 1.643 56.591 54.840 0.181 0.000 0.747 238 L CB 0.064 42.270 42.059 0.245 0.000 0.903 238 L HN 0.201 nan 8.230 nan 0.000 0.435 239 V N -3.244 116.859 119.914 0.316 0.000 3.661 239 V HA 0.631 4.756 4.120 0.007 0.000 0.271 239 V C 0.814 177.053 176.094 0.243 0.000 1.315 239 V CA 0.171 62.691 62.300 0.367 0.000 1.072 239 V CB -0.719 31.366 31.823 0.437 0.000 0.830 239 V HN 0.613 nan 8.190 nan 0.000 0.443 240 G N 1.239 110.148 108.800 0.183 0.000 2.697 240 G HA2 0.048 4.012 3.960 0.007 0.000 0.686 240 G HA3 0.048 4.012 3.960 0.007 0.000 0.686 240 G C -0.284 174.676 174.900 0.101 0.000 1.179 240 G CA -0.300 44.874 45.100 0.122 0.000 0.765 240 G HN 1.350 nan 8.290 nan 0.000 0.649 241 T N 1.151 115.741 114.554 0.061 0.000 2.940 241 T HA 0.559 4.913 4.350 0.007 0.000 0.309 241 T C -1.356 173.355 174.700 0.017 0.000 1.056 241 T CA -0.260 61.857 62.100 0.029 0.000 1.137 241 T CB 1.236 70.103 68.868 -0.002 0.000 0.976 241 T HN 0.639 nan 8.240 nan 0.000 0.547 242 P HA 0.393 nan 4.420 nan 0.000 0.274 242 P C 0.499 177.776 177.300 -0.038 0.000 1.237 242 P CA -0.358 62.727 63.100 -0.025 0.000 0.793 242 P CB 0.480 32.129 31.700 -0.085 0.000 0.977 243 G N -0.448 108.335 108.800 -0.028 0.000 2.537 243 G HA2 0.404 4.368 3.960 0.007 0.000 0.297 243 G HA3 0.404 4.368 3.960 0.007 0.000 0.297 243 G C 1.091 175.963 174.900 -0.047 0.000 1.310 243 G CA -0.115 44.967 45.100 -0.031 0.000 1.027 243 G HN 0.454 nan 8.290 nan 0.000 0.505 244 A N -1.001 121.795 122.820 -0.040 0.000 1.958 244 A HA -0.138 4.187 4.320 0.007 0.000 0.221 244 A C 2.031 179.588 177.584 -0.044 0.000 1.178 244 A CA 2.303 54.313 52.037 -0.044 0.000 0.642 244 A CB -0.602 18.379 19.000 -0.032 0.000 0.816 244 A HN 0.748 nan 8.150 nan 0.000 0.453 245 E N -0.861 119.321 120.200 -0.031 0.000 2.110 245 E HA -0.142 4.213 4.350 0.007 0.000 0.193 245 E C 1.849 178.429 176.600 -0.034 0.000 0.988 245 E CA 0.986 57.372 56.400 -0.024 0.000 0.804 245 E CB -0.096 29.598 29.700 -0.009 0.000 0.745 245 E HN 0.576 nan 8.360 nan 0.000 0.458 246 L N 0.570 121.764 121.223 -0.049 0.000 2.253 246 L HA -0.001 4.343 4.340 0.007 0.000 0.205 246 L C 2.164 178.951 176.870 -0.138 0.000 1.078 246 L CA 0.596 55.393 54.840 -0.072 0.000 0.805 246 L CB -0.291 41.731 42.059 -0.062 0.000 0.963 246 L HN 0.241 nan 8.230 nan 0.000 0.459 247 L N 0.417 121.552 121.223 -0.146 0.000 2.013 247 L HA -0.287 4.057 4.340 0.007 0.000 0.212 247 L C 2.569 179.352 176.870 -0.145 0.000 1.073 247 L CA 1.608 56.340 54.840 -0.180 0.000 0.753 247 L CB -0.496 41.479 42.059 -0.140 0.000 0.890 247 L HN 0.210 nan 8.230 nan 0.000 0.432 248 K N 0.054 120.398 120.400 -0.094 0.000 2.281 248 K HA -0.186 4.138 4.320 0.007 0.000 0.203 248 K C 1.857 178.420 176.600 -0.061 0.000 1.046 248 K CA 1.188 57.435 56.287 -0.067 0.000 0.938 248 K CB -0.039 32.435 32.500 -0.043 0.000 0.737 248 K HN 0.369 nan 8.250 nan 0.000 0.458 249 K N 0.248 120.607 120.400 -0.069 0.000 2.400 249 K HA 0.108 4.432 4.320 0.007 0.000 0.194 249 K C 0.382 176.952 176.600 -0.050 0.000 1.033 249 K CA 0.148 56.410 56.287 -0.041 0.000 1.021 249 K CB 0.322 32.812 32.500 -0.017 0.000 0.808 249 K HN 0.045 nan 8.250 nan 0.000 0.505 250 I N 2.496 122.994 120.570 -0.121 0.000 2.421 250 I HA -0.092 4.083 4.170 0.007 0.000 0.291 250 I C 1.525 177.595 176.117 -0.078 0.000 1.089 250 I CA -0.168 61.046 61.300 -0.144 0.000 1.354 250 I CB 1.232 38.998 38.000 -0.389 0.000 1.413 250 I HN 0.140 nan 8.210 nan 0.000 0.513 251 S N 2.823 118.509 115.700 -0.024 0.000 2.402 251 S HA -0.113 4.362 4.470 0.007 0.000 0.229 251 S C 1.245 175.834 174.600 -0.018 0.000 1.021 251 S CA 0.324 58.512 58.200 -0.019 0.000 0.974 251 S CB -0.078 63.110 63.200 -0.019 0.000 0.800 251 S HN 0.592 nan 8.310 nan 0.000 0.484 252 S N 1.579 117.276 115.700 -0.004 0.000 2.443 252 S HA 0.154 4.628 4.470 0.007 0.000 0.284 252 S C 0.913 175.507 174.600 -0.011 0.000 1.206 252 S CA -0.460 57.746 58.200 0.010 0.000 1.074 252 S CB 0.442 63.678 63.200 0.061 0.000 0.963 252 S HN 0.587 nan 8.310 nan 0.000 0.501 253 E N 3.747 123.941 120.200 -0.010 0.000 2.106 253 E HA -0.113 4.241 4.350 0.007 0.000 0.192 253 E C 1.868 178.468 176.600 0.000 0.000 0.984 253 E CA 1.127 57.519 56.400 -0.014 0.000 0.806 253 E CB -0.192 29.502 29.700 -0.010 0.000 0.750 253 E HN 0.721 nan 8.360 nan 0.000 0.458 254 S N -0.431 115.279 115.700 0.016 0.000 2.356 254 S HA -0.134 4.340 4.470 0.007 0.000 0.223 254 S C 1.948 176.589 174.600 0.068 0.000 1.032 254 S CA 1.274 59.495 58.200 0.034 0.000 1.005 254 S CB -0.199 63.017 63.200 0.027 0.000 0.867 254 S HN 0.439 nan 8.310 nan 0.000 0.449 255 A N 1.146 124.013 122.820 0.077 0.000 1.968 255 A HA 0.081 4.405 4.320 0.007 0.000 0.217 255 A C 2.177 179.799 177.584 0.064 0.000 1.169 255 A CA 0.852 52.975 52.037 0.142 0.000 0.638 255 A CB -0.499 18.638 19.000 0.228 0.000 0.812 255 A HN 0.493 nan 8.150 nan 0.000 0.446 256 R N -0.014 120.459 120.500 -0.045 0.000 2.081 256 R HA -0.105 4.239 4.340 0.007 0.000 0.235 256 R C 1.825 178.086 176.300 -0.065 0.000 1.131 256 R CA 1.436 57.463 56.100 -0.121 0.000 0.960 256 R CB -0.327 29.904 30.300 -0.115 0.000 0.856 256 R HN 0.597 nan 8.270 nan 0.000 0.436 257 N N -0.307 118.389 118.700 -0.007 0.000 2.166 257 N HA -0.217 4.527 4.740 0.007 0.000 0.186 257 N C 1.652 177.187 175.510 0.041 0.000 1.019 257 N CA 1.140 54.197 53.050 0.011 0.000 0.856 257 N CB -0.147 38.359 38.487 0.031 0.000 0.993 257 N HN 0.252 nan 8.380 nan 0.000 0.426 258 Y N 2.196 122.487 120.300 -0.014 0.000 2.200 258 Y HA -0.074 4.480 4.550 0.007 0.000 0.290 258 Y C 2.095 177.996 175.900 0.002 0.000 1.137 258 Y CA 1.308 59.411 58.100 0.006 0.000 1.163 258 Y CB -0.299 38.181 38.460 0.033 0.000 0.988 258 Y HN -0.028 nan 8.280 nan 0.000 0.518 259 I N -0.184 120.262 120.570 -0.207 0.000 2.676 259 I HA -0.223 3.951 4.170 0.007 0.000 0.259 259 I C 1.962 177.936 176.117 -0.239 0.000 1.194 259 I CA 1.157 62.292 61.300 -0.275 0.000 1.473 259 I CB -0.613 37.281 38.000 -0.176 0.000 1.096 259 I HN 0.192 nan 8.210 nan 0.000 0.443 260 Q N 0.882 120.573 119.800 -0.182 0.000 2.435 260 Q HA -0.078 4.266 4.340 0.007 0.000 0.207 260 Q C 2.379 178.297 176.000 -0.137 0.000 0.956 260 Q CA 1.246 56.968 55.803 -0.135 0.000 0.917 260 Q CB 0.015 28.696 28.738 -0.095 0.000 0.997 260 Q HN 0.688 nan 8.270 nan 0.000 0.497 261 S N -0.386 115.198 115.700 -0.194 0.000 2.428 261 S HA -0.039 4.435 4.470 0.007 0.000 0.230 261 S C 0.724 175.220 174.600 -0.174 0.000 1.014 261 S CA 0.058 58.158 58.200 -0.166 0.000 0.957 261 S CB 0.036 63.144 63.200 -0.154 0.000 0.784 261 S HN 0.099 nan 8.310 nan 0.000 0.499 262 L N 3.294 124.374 121.223 -0.239 0.000 2.367 262 L HA 0.344 4.688 4.340 0.007 0.000 0.275 262 L C 0.505 177.318 176.870 -0.096 0.000 1.129 262 L CA 0.298 55.032 54.840 -0.177 0.000 0.839 262 L CB 0.123 42.058 42.059 -0.207 0.000 1.133 262 L HN 0.133 nan 8.230 nan 0.000 0.453 263 T N 4.315 118.834 114.554 -0.058 0.000 2.871 263 T HA 0.011 4.365 4.350 0.007 0.000 0.296 263 T C 0.468 175.152 174.700 -0.026 0.000 0.998 263 T CA -0.102 61.978 62.100 -0.033 0.000 1.162 263 T CB -0.158 68.700 68.868 -0.017 0.000 0.947 263 T HN 0.437 nan 8.240 nan 0.000 0.536 264 Q N 2.943 122.730 119.800 -0.022 0.000 2.361 264 Q HA 0.294 4.638 4.340 0.007 0.000 0.276 264 Q C -0.178 175.824 176.000 0.003 0.000 1.022 264 Q CA 0.461 56.256 55.803 -0.013 0.000 0.898 264 Q CB 0.495 29.225 28.738 -0.014 0.000 1.246 264 Q HN 0.577 nan 8.270 nan 0.000 0.410 265 M N 3.338 122.947 119.600 0.015 0.000 2.393 265 M HA 0.426 4.910 4.480 0.007 0.000 0.299 265 M C -2.425 173.900 176.300 0.043 0.000 1.103 265 M CA -2.138 53.180 55.300 0.030 0.000 0.910 265 M CB 2.404 35.027 32.600 0.039 0.000 1.659 265 M HN 0.396 nan 8.290 nan 0.000 0.445 266 P HA 0.171 nan 4.420 nan 0.000 0.282 266 P C -1.149 176.203 177.300 0.087 0.000 1.249 266 P CA -0.490 62.645 63.100 0.057 0.000 0.806 266 P CB 0.773 32.501 31.700 0.046 0.000 0.984 267 K N 3.185 123.647 120.400 0.105 0.000 2.530 267 K HA 0.002 4.326 4.320 0.007 0.000 0.280 267 K C 0.329 177.032 176.600 0.171 0.000 1.004 267 K CA 0.288 56.671 56.287 0.160 0.000 1.071 267 K CB 0.004 32.581 32.500 0.129 0.000 0.876 267 K HN 0.447 nan 8.250 nan 0.000 0.487 268 M N 2.705 122.448 119.600 0.239 0.000 2.157 268 M HA -0.004 4.481 4.480 0.007 0.000 0.304 268 M C 0.855 177.321 176.300 0.278 0.000 1.171 268 M CA -0.104 55.316 55.300 0.200 0.000 1.157 268 M CB 0.304 32.975 32.600 0.119 0.000 1.403 268 M HN 0.566 nan 8.290 nan 0.000 0.473 269 N N 1.043 119.851 118.700 0.181 0.000 2.402 269 N HA 0.017 4.761 4.740 0.007 0.000 0.259 269 N C 0.069 175.735 175.510 0.261 0.000 1.167 269 N CA 0.130 53.296 53.050 0.193 0.000 0.949 269 N CB 0.337 38.884 38.487 0.100 0.000 1.212 269 N HN 0.451 nan 8.380 nan 0.000 0.493 270 F N 2.570 122.558 119.950 0.063 0.000 2.202 270 F HA -0.098 4.434 4.527 0.007 0.000 0.301 270 F C 2.350 178.250 175.800 0.167 0.000 1.082 270 F CA 0.921 59.008 58.000 0.144 0.000 1.313 270 F CB -0.668 38.463 39.000 0.218 0.000 1.024 270 F HN 0.641 nan 8.300 nan 0.000 0.495 271 A N -0.583 122.411 122.820 0.289 0.000 2.216 271 A HA -0.123 4.201 4.320 0.007 0.000 0.214 271 A C 1.780 179.416 177.584 0.086 0.000 1.160 271 A CA 1.447 53.586 52.037 0.169 0.000 0.725 271 A CB -0.541 18.529 19.000 0.117 0.000 0.784 271 A HN 0.335 nan 8.150 nan 0.000 0.472 272 N N -1.174 117.553 118.700 0.045 0.000 2.250 272 N HA 0.088 4.832 4.740 0.007 0.000 0.190 272 N C 1.283 176.723 175.510 -0.116 0.000 1.116 272 N CA 0.624 53.663 53.050 -0.019 0.000 0.881 272 N CB 0.604 39.087 38.487 -0.007 0.000 1.006 272 N HN 0.243 nan 8.380 nan 0.000 0.491 273 V N 0.026 119.805 119.914 -0.225 0.000 2.374 273 V HA 0.054 4.178 4.120 0.007 0.000 0.241 273 V C 0.333 176.055 176.094 -0.620 0.000 1.034 273 V CA 1.027 63.006 62.300 -0.535 0.000 1.037 273 V CB -0.292 31.007 31.823 -0.873 0.000 0.682 273 V HN 0.031 nan 8.190 nan 0.000 0.463 274 F N 1.450 121.346 119.950 -0.091 0.000 2.660 274 F HA 0.393 4.924 4.527 0.007 0.000 0.342 274 F C 0.507 176.287 175.800 -0.034 0.000 1.195 274 F CA -0.654 57.303 58.000 -0.071 0.000 1.300 274 F CB -0.683 38.272 39.000 -0.074 0.000 1.616 274 F HN -0.034 nan 8.300 nan 0.000 0.592 275 I N 1.960 122.560 120.570 0.051 0.000 2.664 275 I HA 0.075 4.249 4.170 0.007 0.000 0.284 275 I C 1.344 177.493 176.117 0.055 0.000 1.154 275 I CA 0.663 61.985 61.300 0.038 0.000 1.402 275 I CB -0.324 37.676 38.000 -0.000 0.000 1.395 275 I HN 0.770 nan 8.210 nan 0.000 0.545 276 G N 4.672 113.506 108.800 0.055 0.000 2.157 276 G HA2 -0.180 3.784 3.960 0.007 0.000 0.248 276 G HA3 -0.180 3.784 3.960 0.007 0.000 0.248 276 G C 0.453 175.386 174.900 0.055 0.000 0.979 276 G CA 0.048 45.177 45.100 0.049 0.000 0.650 276 G HN 0.973 nan 8.290 nan 0.000 0.529 277 A N -0.137 122.725 122.820 0.069 0.000 2.366 277 A HA 0.585 4.909 4.320 0.007 0.000 0.249 277 A C 0.762 178.361 177.584 0.025 0.000 1.084 277 A CA 0.184 52.248 52.037 0.045 0.000 0.794 277 A CB 0.259 19.277 19.000 0.031 0.000 1.034 277 A HN 0.620 nan 8.150 nan 0.000 0.491 278 N N 1.132 119.843 118.700 0.017 0.000 2.365 278 N HA 0.019 4.763 4.740 0.007 0.000 0.265 278 N C -1.819 173.670 175.510 -0.036 0.000 1.288 278 N CA -1.197 51.865 53.050 0.021 0.000 0.869 278 N CB 0.828 39.371 38.487 0.094 0.000 1.071 278 N HN 0.191 nan 8.380 nan 0.000 0.480 279 P HA -0.083 nan 4.420 nan 0.000 0.225 279 P C 1.290 178.569 177.300 -0.036 0.000 1.148 279 P CA 0.409 63.503 63.100 -0.010 0.000 0.779 279 P CB 0.391 32.096 31.700 0.009 0.000 0.780 280 L N -0.677 120.520 121.223 -0.044 0.000 2.131 280 L HA 0.025 4.369 4.340 0.007 0.000 0.206 280 L C 2.376 179.041 176.870 -0.342 0.000 1.087 280 L CA 1.437 56.255 54.840 -0.037 0.000 0.767 280 L CB -1.901 40.220 42.059 0.102 0.000 0.917 280 L HN -0.085 nan 8.230 nan 0.000 0.441 281 A N -0.982 121.451 122.820 -0.645 0.000 1.898 281 A HA -0.132 4.193 4.320 0.007 0.000 0.216 281 A C 2.386 179.673 177.584 -0.494 0.000 1.181 281 A CA 1.703 53.145 52.037 -0.991 0.000 0.620 281 A CB -0.854 17.676 19.000 -0.784 0.000 0.819 281 A HN 0.178 nan 8.150 nan 0.000 0.442 282 V N 0.665 120.421 119.914 -0.264 0.000 2.252 282 V HA -0.343 3.782 4.120 0.007 0.000 0.249 282 V C 2.371 178.420 176.094 -0.075 0.000 1.056 282 V CA 2.718 64.967 62.300 -0.086 0.000 1.022 282 V CB -0.910 30.936 31.823 0.037 0.000 0.641 282 V HN 0.766 nan 8.190 nan 0.000 0.445 283 D N -0.500 119.851 120.400 -0.082 0.000 2.097 283 D HA -0.198 4.446 4.640 0.007 0.000 0.195 283 D C 1.970 178.191 176.300 -0.132 0.000 0.989 283 D CA 1.421 55.392 54.000 -0.047 0.000 0.827 283 D CB -0.154 40.695 40.800 0.082 0.000 0.966 283 D HN 0.297 nan 8.370 nan 0.000 0.456 284 L N 0.105 121.147 121.223 -0.302 0.000 2.083 284 L HA -0.028 4.316 4.340 0.007 0.000 0.209 284 L C 2.062 178.772 176.870 -0.267 0.000 1.083 284 L CA 1.376 55.903 54.840 -0.521 0.000 0.752 284 L CB -0.405 41.225 42.059 -0.715 0.000 0.899 284 L HN 0.202 nan 8.230 nan 0.000 0.433 285 L N -0.731 120.363 121.223 -0.216 0.000 2.131 285 L HA -0.199 4.145 4.340 0.007 0.000 0.210 285 L C 2.450 179.334 176.870 0.023 0.000 1.092 285 L CA 1.376 56.158 54.840 -0.096 0.000 0.759 285 L CB -0.481 41.496 42.059 -0.138 0.000 0.903 285 L HN 0.393 nan 8.230 nan 0.000 0.435 286 E N -0.077 120.037 120.200 -0.142 0.000 2.216 286 E HA -0.163 4.191 4.350 0.007 0.000 0.192 286 E C 1.826 178.315 176.600 -0.185 0.000 0.988 286 E CA 0.713 56.866 56.400 -0.411 0.000 0.834 286 E CB 0.128 29.486 29.700 -0.569 0.000 0.772 286 E HN 0.471 nan 8.360 nan 0.000 0.479 287 K N -0.174 120.158 120.400 -0.113 0.000 2.400 287 K HA 0.127 4.452 4.320 0.007 0.000 0.194 287 K C 1.811 178.406 176.600 -0.007 0.000 1.033 287 K CA 0.365 56.625 56.287 -0.045 0.000 1.021 287 K CB 0.260 32.736 32.500 -0.039 0.000 0.808 287 K HN 0.096 nan 8.250 nan 0.000 0.505 288 M N 0.039 119.622 119.600 -0.029 0.000 2.412 288 M HA 0.021 4.505 4.480 0.007 0.000 0.263 288 M C 0.159 176.449 176.300 -0.017 0.000 1.122 288 M CA 0.655 55.949 55.300 -0.011 0.000 1.179 288 M CB 0.345 32.911 32.600 -0.056 0.000 1.335 288 M HN -0.036 nan 8.290 nan 0.000 0.465 289 L N 1.922 123.104 121.223 -0.069 0.000 2.648 289 L HA 0.242 4.586 4.340 0.007 0.000 0.238 289 L C -0.587 176.391 176.870 0.180 0.000 1.316 289 L CA -0.099 54.600 54.840 -0.235 0.000 1.241 289 L CB -0.929 41.045 42.059 -0.143 0.000 1.499 289 L HN -0.096 nan 8.230 nan 0.000 0.411 290 V N 0.864 120.988 119.914 0.349 0.000 2.459 290 V HA 0.204 4.328 4.120 0.007 0.000 0.295 290 V C 1.167 177.577 176.094 0.528 0.000 1.029 290 V CA -0.641 61.874 62.300 0.359 0.000 0.874 290 V CB 2.421 34.373 31.823 0.214 0.000 0.985 290 V HN 0.314 nan 8.190 nan 0.000 0.438 291 L N 2.307 123.777 121.223 0.412 0.000 2.027 291 L HA 0.048 4.392 4.340 0.007 0.000 0.206 291 L C 1.309 178.321 176.870 0.236 0.000 1.074 291 L CA 1.685 56.711 54.840 0.310 0.000 0.745 291 L CB -0.229 41.981 42.059 0.252 0.000 0.898 291 L HN 0.761 nan 8.230 nan 0.000 0.433 292 D N -0.979 119.534 120.400 0.189 0.000 2.342 292 D HA -0.020 4.625 4.640 0.007 0.000 0.260 292 D C 1.416 177.811 176.300 0.159 0.000 1.278 292 D CA 0.680 54.767 54.000 0.144 0.000 0.910 292 D CB 1.092 41.950 40.800 0.097 0.000 1.079 292 D HN 0.369 nan 8.370 nan 0.000 0.496 293 S N 2.721 118.517 115.700 0.160 0.000 2.465 293 S HA -0.196 4.279 4.470 0.007 0.000 0.241 293 S C 1.109 175.780 174.600 0.120 0.000 1.000 293 S CA 0.749 59.042 58.200 0.155 0.000 0.964 293 S CB 0.116 63.403 63.200 0.145 0.000 0.763 293 S HN 0.412 nan 8.310 nan 0.000 0.512 294 D N 1.857 122.316 120.400 0.098 0.000 2.224 294 D HA 0.021 4.665 4.640 0.007 0.000 0.205 294 D C 1.666 178.012 176.300 0.077 0.000 0.965 294 D CA 0.964 55.009 54.000 0.076 0.000 0.852 294 D CB -0.112 40.724 40.800 0.059 0.000 0.947 294 D HN 0.601 nan 8.370 nan 0.000 0.494 295 K N 0.110 120.564 120.400 0.090 0.000 2.367 295 K HA 0.142 4.466 4.320 0.007 0.000 0.194 295 K C 0.716 177.374 176.600 0.097 0.000 1.027 295 K CA -0.210 56.128 56.287 0.085 0.000 1.075 295 K CB 0.804 33.352 32.500 0.080 0.000 0.845 295 K HN -0.035 nan 8.250 nan 0.000 0.529 296 R N 1.448 122.022 120.500 0.123 0.000 2.679 296 R HA 0.127 4.471 4.340 0.007 0.000 0.268 296 R C 0.303 176.664 176.300 0.102 0.000 1.044 296 R CA -0.147 56.032 56.100 0.132 0.000 1.105 296 R CB 0.478 30.886 30.300 0.179 0.000 0.989 296 R HN 0.099 nan 8.270 nan 0.000 0.447 297 I N 1.774 122.396 120.570 0.087 0.000 2.692 297 I HA -0.046 4.128 4.170 0.007 0.000 0.284 297 I C 0.707 176.879 176.117 0.092 0.000 1.159 297 I CA 0.402 61.749 61.300 0.079 0.000 1.423 297 I CB 0.868 38.903 38.000 0.058 0.000 1.380 297 I HN 0.713 nan 8.210 nan 0.000 0.580 298 T N 3.658 118.267 114.554 0.091 0.000 2.902 298 T HA 0.489 4.843 4.350 0.007 0.000 0.280 298 T C 1.117 175.873 174.700 0.094 0.000 0.992 298 T CA -0.195 61.968 62.100 0.106 0.000 1.015 298 T CB 1.616 70.545 68.868 0.101 0.000 1.044 298 T HN 0.722 nan 8.240 nan 0.000 0.520 299 A N 1.484 124.364 122.820 0.101 0.000 1.869 299 A HA -0.004 4.320 4.320 0.007 0.000 0.218 299 A C 2.694 180.289 177.584 0.019 0.000 1.203 299 A CA 2.601 54.654 52.037 0.026 0.000 0.638 299 A CB -1.715 17.273 19.000 -0.021 0.000 0.831 299 A HN 1.410 nan 8.150 nan 0.000 0.450 300 A N -1.085 121.763 122.820 0.048 0.000 1.948 300 A HA -0.267 4.058 4.320 0.007 0.000 0.220 300 A C 2.109 179.731 177.584 0.063 0.000 1.177 300 A CA 1.990 54.060 52.037 0.055 0.000 0.636 300 A CB -0.591 18.449 19.000 0.068 0.000 0.815 300 A HN 0.715 nan 8.150 nan 0.000 0.449 301 Q N -1.018 118.826 119.800 0.073 0.000 2.187 301 Q HA 0.137 4.482 4.340 0.007 0.000 0.199 301 Q C 2.318 178.384 176.000 0.111 0.000 0.957 301 Q CA 1.007 56.861 55.803 0.086 0.000 0.857 301 Q CB -0.282 28.509 28.738 0.088 0.000 0.929 301 Q HN 0.670 nan 8.270 nan 0.000 0.453 302 A N 0.737 123.621 122.820 0.107 0.000 1.968 302 A HA -0.083 4.241 4.320 0.007 0.000 0.217 302 A C 1.940 179.649 177.584 0.208 0.000 1.169 302 A CA 0.806 52.945 52.037 0.169 0.000 0.638 302 A CB -0.460 18.613 19.000 0.122 0.000 0.812 302 A HN 0.285 nan 8.150 nan 0.000 0.446 303 L N -0.931 120.315 121.223 0.039 0.000 2.362 303 L HA -0.094 4.250 4.340 0.007 0.000 0.219 303 L C 2.503 179.224 176.870 -0.248 0.000 1.134 303 L CA 0.763 55.586 54.840 -0.029 0.000 0.807 303 L CB -0.204 41.847 42.059 -0.014 0.000 0.927 303 L HN 0.416 nan 8.230 nan 0.000 0.447 304 A N -2.489 120.238 122.820 -0.155 0.000 2.308 304 A HA -0.000 4.324 4.320 0.007 0.000 0.217 304 A C 0.900 178.496 177.584 0.021 0.000 1.216 304 A CA -0.210 51.678 52.037 -0.248 0.000 0.864 304 A CB -0.457 18.512 19.000 -0.053 0.000 0.902 304 A HN 0.299 nan 8.150 nan 0.000 0.499 305 H N -0.128 119.006 119.070 0.106 0.000 2.815 305 H HA 0.283 4.844 4.556 0.007 0.000 0.350 305 H C 1.420 176.819 175.328 0.120 0.000 1.080 305 H CA 0.439 56.568 56.048 0.136 0.000 1.433 305 H CB 1.227 31.109 29.762 0.199 0.000 1.432 305 H HN 0.181 nan 8.280 nan 0.000 0.592 306 A N 4.938 127.574 122.820 -0.307 0.000 2.019 306 A HA -0.237 4.087 4.320 0.007 0.000 0.219 306 A C 1.945 179.524 177.584 -0.009 0.000 1.164 306 A CA 1.013 52.976 52.037 -0.125 0.000 0.644 306 A CB -0.773 18.120 19.000 -0.179 0.000 0.805 306 A HN 0.853 nan 8.150 nan 0.000 0.449 307 Y N -0.372 119.854 120.300 -0.123 0.000 2.315 307 Y HA -0.187 4.367 4.550 0.007 0.000 0.288 307 Y C 0.870 176.548 175.900 -0.370 0.000 1.154 307 Y CA 1.250 59.206 58.100 -0.239 0.000 1.229 307 Y CB -0.322 37.958 38.460 -0.299 0.000 0.980 307 Y HN 0.324 nan 8.280 nan 0.000 0.540 308 F N -1.262 118.761 119.950 0.123 0.000 2.639 308 F HA 0.393 4.924 4.527 0.007 0.000 0.302 308 F C 2.002 177.832 175.800 0.051 0.000 1.097 308 F CA 0.137 58.185 58.000 0.080 0.000 1.294 308 F CB -0.869 38.280 39.000 0.248 0.000 1.027 308 F HN 0.034 nan 8.300 nan 0.000 0.550 309 A N -0.023 122.865 122.820 0.114 0.000 1.971 309 A HA -0.263 4.061 4.320 0.007 0.000 0.222 309 A C 2.302 179.856 177.584 -0.050 0.000 1.182 309 A CA 1.743 53.816 52.037 0.061 0.000 0.649 309 A CB -0.435 18.569 19.000 0.006 0.000 0.818 309 A HN 0.332 nan 8.150 nan 0.000 0.458 310 Q N -2.372 117.309 119.800 -0.199 0.000 2.369 310 Q HA -0.094 4.250 4.340 0.007 0.000 0.206 310 Q C 0.998 176.576 176.000 -0.704 0.000 0.963 310 Q CA 1.208 56.719 55.803 -0.488 0.000 0.894 310 Q CB -0.012 28.304 28.738 -0.703 0.000 0.965 310 Q HN 0.913 nan 8.270 nan 0.000 0.475 311 Y N -2.298 117.898 120.300 -0.173 0.000 2.638 311 Y HA 0.079 4.633 4.550 0.007 0.000 0.275 311 Y C 0.758 176.396 175.900 -0.437 0.000 1.122 311 Y CA -0.560 57.283 58.100 -0.429 0.000 1.266 311 Y CB -0.221 37.782 38.460 -0.763 0.000 1.317 311 Y HN 0.083 nan 8.280 nan 0.000 0.501 312 H N 2.072 121.054 119.070 -0.146 0.000 3.094 312 H HA 0.198 4.758 4.556 0.007 0.000 0.320 312 H C -0.924 174.461 175.328 0.094 0.000 1.000 312 H CA 0.324 56.439 56.048 0.111 0.000 1.413 312 H CB 0.235 30.124 29.762 0.211 0.000 1.405 312 H HN 0.109 nan 8.280 nan 0.000 0.586 313 D N 6.261 126.585 120.400 -0.126 0.000 2.616 313 D HA 0.149 4.793 4.640 0.007 0.000 0.238 313 D C -2.404 173.787 176.300 -0.182 0.000 1.354 313 D CA -1.916 51.953 54.000 -0.218 0.000 0.970 313 D CB 1.821 42.602 40.800 -0.031 0.000 1.369 313 D HN 0.370 nan 8.370 nan 0.000 0.585 314 P HA 0.088 nan 4.420 nan 0.000 0.245 314 P C 0.165 177.474 177.300 0.015 0.000 1.212 314 P CA 0.324 63.392 63.100 -0.054 0.000 0.774 314 P CB 0.708 32.386 31.700 -0.036 0.000 0.999 315 D N -0.540 119.856 120.400 -0.007 0.000 2.367 315 D HA -0.001 4.643 4.640 0.007 0.000 0.207 315 D C 0.306 176.627 176.300 0.035 0.000 1.034 315 D CA 0.826 54.836 54.000 0.017 0.000 0.861 315 D CB 0.001 40.802 40.800 0.001 0.000 0.943 315 D HN 0.107 nan 8.370 nan 0.000 0.515 316 D N 0.479 120.910 120.400 0.052 0.000 2.938 316 D HA 0.126 4.771 4.640 0.007 0.000 0.369 316 D C -0.904 175.462 176.300 0.110 0.000 1.301 316 D CA -0.142 53.897 54.000 0.066 0.000 0.805 316 D CB -0.051 40.782 40.800 0.057 0.000 1.161 316 D HN -0.139 nan 8.370 nan 0.000 0.474 317 E N 1.098 121.373 120.200 0.125 0.000 3.352 317 E HA 0.252 4.607 4.350 0.007 0.000 0.254 317 E C -2.497 174.208 176.600 0.176 0.000 1.229 317 E CA -1.438 55.058 56.400 0.160 0.000 0.949 317 E CB 1.518 31.319 29.700 0.169 0.000 1.373 317 E HN 0.197 nan 8.360 nan 0.000 0.392 318 P HA 0.083 nan 4.420 nan 0.000 0.276 318 P C 0.040 177.499 177.300 0.265 0.000 1.244 318 P CA -0.615 62.611 63.100 0.211 0.000 0.801 318 P CB 0.801 32.617 31.700 0.193 0.000 1.006 319 V N -1.240 118.774 119.914 0.167 0.000 3.336 319 V HA 0.730 4.854 4.120 0.007 0.000 0.304 319 V C 0.260 176.374 176.094 0.035 0.000 1.073 319 V CA -0.771 61.576 62.300 0.078 0.000 1.074 319 V CB -0.098 31.743 31.823 0.032 0.000 1.161 319 V HN 0.688 nan 8.190 nan 0.000 0.460 320 A N 0.500 123.150 122.820 -0.283 0.000 2.257 320 A HA 0.518 4.843 4.320 0.007 0.000 0.289 320 A C -0.021 177.537 177.584 -0.044 0.000 1.095 320 A CA -0.634 51.163 52.037 -0.401 0.000 0.836 320 A CB -0.028 18.494 19.000 -0.797 0.000 1.111 320 A HN 0.969 nan 8.150 nan 0.000 0.497 321 D N 0.680 121.103 120.400 0.038 0.000 2.362 321 D HA 0.338 4.982 4.640 0.007 0.000 0.242 321 D C -2.334 174.139 176.300 0.288 0.000 1.132 321 D CA -0.802 53.296 54.000 0.163 0.000 0.907 321 D CB -0.020 40.884 40.800 0.174 0.000 1.195 321 D HN 0.142 nan 8.370 nan 0.000 0.429 322 P HA -0.117 nan 4.420 nan 0.000 0.259 322 P C -0.808 176.566 177.300 0.124 0.000 1.163 322 P CA 0.594 63.774 63.100 0.132 0.000 0.760 322 P CB -0.016 31.738 31.700 0.089 0.000 0.762 323 Y N 3.746 123.960 120.300 -0.144 0.000 2.334 323 Y HA 0.255 4.809 4.550 0.007 0.000 0.336 323 Y C -0.082 175.742 175.900 -0.126 0.000 0.960 323 Y CA -1.257 56.642 58.100 -0.336 0.000 1.164 323 Y CB 0.682 38.841 38.460 -0.501 0.000 1.155 323 Y HN 0.256 nan 8.280 nan 0.000 0.478 324 D N 5.253 125.439 120.400 -0.357 0.000 2.352 324 D HA 0.041 4.685 4.640 0.007 0.000 0.245 324 D C -0.128 175.935 176.300 -0.395 0.000 1.224 324 D CA 0.405 54.248 54.000 -0.261 0.000 0.879 324 D CB 0.956 41.701 40.800 -0.092 0.000 1.057 324 D HN 0.861 nan 8.370 nan 0.000 0.491 325 Q N 1.801 121.389 119.800 -0.354 0.000 2.172 325 Q HA 0.025 4.369 4.340 0.007 0.000 0.217 325 Q C 1.482 177.286 176.000 -0.327 0.000 0.832 325 Q CA -0.174 55.390 55.803 -0.397 0.000 1.010 325 Q CB 0.388 28.893 28.738 -0.388 0.000 1.133 325 Q HN 0.527 nan 8.270 nan 0.000 0.489 326 S N -0.286 115.350 115.700 -0.107 0.000 2.469 326 S HA -0.176 4.298 4.470 0.007 0.000 0.238 326 S C 1.540 176.146 174.600 0.010 0.000 0.998 326 S CA 0.708 58.875 58.200 -0.056 0.000 0.957 326 S CB -0.632 62.569 63.200 0.002 0.000 0.764 326 S HN 0.599 nan 8.310 nan 0.000 0.514 327 F N 1.914 121.917 119.950 0.088 0.000 2.333 327 F HA 0.210 4.742 4.527 0.007 0.000 0.300 327 F C 1.962 177.931 175.800 0.282 0.000 1.083 327 F CA 0.776 58.922 58.000 0.243 0.000 1.395 327 F CB -0.620 38.649 39.000 0.449 0.000 1.056 327 F HN 0.069 nan 8.300 nan 0.000 0.529 328 E N 0.983 120.770 120.200 -0.687 0.000 2.333 328 E HA -0.119 4.235 4.350 0.007 0.000 0.198 328 E C 1.608 178.128 176.600 -0.134 0.000 1.007 328 E CA 1.227 57.329 56.400 -0.496 0.000 0.845 328 E CB -0.343 29.001 29.700 -0.593 0.000 0.766 328 E HN 0.628 nan 8.360 nan 0.000 0.507 329 S N 0.089 115.752 115.700 -0.062 0.000 2.664 329 S HA 0.197 4.671 4.470 0.007 0.000 0.245 329 S C 0.449 175.082 174.600 0.055 0.000 1.019 329 S CA -0.749 57.444 58.200 -0.011 0.000 0.996 329 S CB 0.023 63.194 63.200 -0.049 0.000 0.878 329 S HN 0.126 nan 8.310 nan 0.000 0.493 330 R N 0.428 121.018 120.500 0.151 0.000 2.637 330 R HA 0.596 4.940 4.340 0.007 0.000 0.291 330 R C -1.778 174.662 176.300 0.232 0.000 0.963 330 R CA -0.757 55.430 56.100 0.145 0.000 0.901 330 R CB 0.902 31.244 30.300 0.070 0.000 1.160 330 R HN 0.011 nan 8.270 nan 0.000 0.457 331 D N 4.207 124.679 120.400 0.120 0.000 2.232 331 D HA 0.370 5.014 4.640 0.007 0.000 0.242 331 D C -0.138 176.162 176.300 0.001 0.000 1.093 331 D CA -0.254 53.832 54.000 0.142 0.000 0.845 331 D CB 1.899 42.751 40.800 0.087 0.000 1.124 331 D HN 0.330 nan 8.370 nan 0.000 0.467 332 L N 0.956 122.176 121.223 -0.005 0.000 2.359 332 L HA 0.458 4.802 4.340 0.007 0.000 0.256 332 L C -0.223 176.576 176.870 -0.118 0.000 1.026 332 L CA -1.093 53.541 54.840 -0.344 0.000 0.828 332 L CB 1.893 43.239 42.059 -1.188 0.000 1.406 332 L HN 0.100 nan 8.230 nan 0.000 0.413 333 L N 0.754 121.878 121.223 -0.165 0.000 2.439 333 L HA 0.335 4.680 4.340 0.007 0.000 0.259 333 L C 1.259 178.158 176.870 0.049 0.000 1.129 333 L CA -0.401 54.428 54.840 -0.018 0.000 0.803 333 L CB 0.718 42.750 42.059 -0.046 0.000 1.161 333 L HN 0.541 nan 8.230 nan 0.000 0.462 334 I N 0.443 121.101 120.570 0.147 0.000 2.087 334 I HA -0.348 3.826 4.170 0.007 0.000 0.240 334 I C 1.669 177.826 176.117 0.067 0.000 1.054 334 I CA 1.840 63.257 61.300 0.195 0.000 1.311 334 I CB -0.240 37.845 38.000 0.141 0.000 1.024 334 I HN 0.778 nan 8.210 nan 0.000 0.402 335 D N 0.239 120.624 120.400 -0.025 0.000 2.221 335 D HA -0.172 4.473 4.640 0.007 0.000 0.204 335 D C 2.106 178.333 176.300 -0.121 0.000 0.982 335 D CA 1.018 54.963 54.000 -0.092 0.000 0.857 335 D CB -0.081 40.671 40.800 -0.079 0.000 0.934 335 D HN 0.436 nan 8.370 nan 0.000 0.475 336 E N -0.833 119.270 120.200 -0.162 0.000 2.046 336 E HA -0.121 4.234 4.350 0.007 0.000 0.190 336 E C 1.869 178.287 176.600 -0.302 0.000 0.982 336 E CA 0.667 56.900 56.400 -0.278 0.000 0.800 336 E CB -0.145 29.311 29.700 -0.406 0.000 0.756 336 E HN 0.455 nan 8.360 nan 0.000 0.449 337 W N 1.705 122.933 121.300 -0.121 0.000 2.358 337 W HA -0.142 4.522 4.660 0.007 0.000 0.303 337 W C 2.452 178.896 176.519 -0.124 0.000 1.208 337 W CA 0.678 57.943 57.345 -0.133 0.000 1.274 337 W CB -0.022 29.446 29.460 0.013 0.000 1.138 337 W HN -0.001 nan 8.180 nan 0.000 0.515 338 K N 0.234 120.609 120.400 -0.041 0.000 2.026 338 K HA -0.223 4.101 4.320 0.007 0.000 0.208 338 K C 2.307 178.890 176.600 -0.028 0.000 1.048 338 K CA 1.806 57.826 56.287 -0.446 0.000 0.929 338 K CB -0.525 31.498 32.500 -0.796 0.000 0.713 338 K HN 0.028 nan 8.250 nan 0.000 0.439 339 S N 0.341 116.027 115.700 -0.024 0.000 2.355 339 S HA -0.106 4.368 4.470 0.007 0.000 0.222 339 S C 1.959 176.616 174.600 0.094 0.000 1.031 339 S CA 0.779 59.010 58.200 0.053 0.000 0.993 339 S CB -0.250 62.934 63.200 -0.026 0.000 0.859 339 S HN 0.255 nan 8.310 nan 0.000 0.453 340 L N 1.778 122.993 121.223 -0.013 0.000 1.978 340 L HA -0.149 4.196 4.340 0.007 0.000 0.218 340 L C 2.738 179.745 176.870 0.229 0.000 1.075 340 L CA 2.451 57.268 54.840 -0.038 0.000 0.767 340 L CB -1.757 40.030 42.059 -0.454 0.000 0.890 340 L HN 0.345 nan 8.230 nan 0.000 0.434 341 T N -2.012 112.771 114.554 0.382 0.000 2.699 341 T HA -0.296 4.059 4.350 0.007 0.000 0.268 341 T C 1.744 176.686 174.700 0.402 0.000 1.036 341 T CA 1.792 64.221 62.100 0.548 0.000 1.147 341 T CB -0.591 68.690 68.868 0.689 0.000 0.862 341 T HN 0.295 nan 8.240 nan 0.000 0.446 342 Y N 2.388 122.790 120.300 0.170 0.000 2.145 342 Y HA -0.156 4.397 4.550 0.007 0.000 0.286 342 Y C 1.992 177.836 175.900 -0.094 0.000 1.145 342 Y CA 1.294 59.288 58.100 -0.177 0.000 1.148 342 Y CB -0.600 37.680 38.460 -0.299 0.000 0.981 342 Y HN 0.159 nan 8.280 nan 0.000 0.507 343 D N 0.087 120.474 120.400 -0.021 0.000 2.106 343 D HA -0.204 4.440 4.640 0.007 0.000 0.191 343 D C 2.038 178.299 176.300 -0.065 0.000 0.997 343 D CA 1.824 55.781 54.000 -0.073 0.000 0.834 343 D CB -0.354 40.461 40.800 0.024 0.000 0.956 343 D HN 0.401 nan 8.370 nan 0.000 0.448 344 E N 0.333 120.562 120.200 0.048 0.000 2.110 344 E HA -0.100 4.254 4.350 0.007 0.000 0.193 344 E C 2.447 179.087 176.600 0.066 0.000 0.988 344 E CA 0.283 56.735 56.400 0.087 0.000 0.804 344 E CB -0.317 29.470 29.700 0.145 0.000 0.745 344 E HN 0.183 nan 8.360 nan 0.000 0.458 345 V N 1.766 121.682 119.914 0.004 0.000 2.261 345 V HA -0.219 3.905 4.120 0.007 0.000 0.246 345 V C 2.449 178.516 176.094 -0.045 0.000 1.047 345 V CA 1.370 63.662 62.300 -0.013 0.000 1.015 345 V CB -0.360 31.426 31.823 -0.062 0.000 0.642 345 V HN 0.235 nan 8.190 nan 0.000 0.446 346 I N 0.814 121.235 120.570 -0.247 0.000 2.614 346 I HA -0.168 4.006 4.170 0.007 0.000 0.258 346 I C 2.335 178.405 176.117 -0.079 0.000 1.189 346 I CA 1.725 62.880 61.300 -0.242 0.000 1.462 346 I CB -0.130 37.556 38.000 -0.524 0.000 1.092 346 I HN 0.525 nan 8.210 nan 0.000 0.442 347 S N -0.113 115.570 115.700 -0.028 0.000 2.548 347 S HA -0.031 4.444 4.470 0.007 0.000 0.215 347 S C 0.712 175.355 174.600 0.072 0.000 0.976 347 S CA -0.495 57.716 58.200 0.018 0.000 0.908 347 S CB -0.471 62.738 63.200 0.015 0.000 0.781 347 S HN 0.259 nan 8.310 nan 0.000 0.519 348 F N 3.185 123.131 119.950 -0.006 0.000 2.590 348 F HA 0.368 4.900 4.527 0.007 0.000 0.389 348 F C -0.443 175.370 175.800 0.020 0.000 1.049 348 F CA -0.176 57.835 58.000 0.017 0.000 1.199 348 F CB 0.548 39.569 39.000 0.035 0.000 1.058 348 F HN -0.064 nan 8.300 nan 0.000 0.556 349 V N 8.892 128.377 119.914 -0.714 0.000 2.334 349 V HA 0.277 4.401 4.120 0.007 0.000 0.281 349 V C -1.892 173.637 176.094 -0.941 0.000 1.016 349 V CA -1.911 60.035 62.300 -0.590 0.000 0.832 349 V CB 0.980 32.638 31.823 -0.276 0.000 0.999 349 V HN 0.673 nan 8.190 nan 0.000 0.439 350 P HA -0.002 nan 4.420 nan 0.000 0.263 350 P C -2.467 174.716 177.300 -0.194 0.000 1.162 350 P CA -0.380 62.541 63.100 -0.298 0.000 0.758 350 P CB -0.347 31.326 31.700 -0.044 0.000 0.773 351 P HA 0.024 nan 4.420 nan 0.000 0.265 351 P C -1.644 175.646 177.300 -0.016 0.000 1.193 351 P CA -0.791 62.295 63.100 -0.023 0.000 0.765 351 P CB -0.473 31.250 31.700 0.037 0.000 0.823 352 P HA -0.035 nan 4.420 nan 0.000 0.274 352 P C -0.149 177.149 177.300 -0.003 0.000 1.370 352 P CA 0.358 63.447 63.100 -0.018 0.000 0.760 352 P CB -0.395 31.293 31.700 -0.020 0.000 1.308 353 L N -0.943 120.287 121.223 0.011 0.000 3.573 353 L HA -0.161 4.184 4.340 0.007 0.000 0.578 353 L C 0.549 177.434 176.870 0.025 0.000 1.299 353 L CA 0.045 54.898 54.840 0.022 0.000 0.914 353 L CB -2.214 39.851 42.059 0.010 0.000 1.563 353 L HN 0.106 nan 8.230 nan 0.000 0.860 354 D N 0.232 120.653 120.400 0.035 0.000 2.312 354 D HA 0.050 4.695 4.640 0.007 0.000 0.211 354 D C 1.298 177.613 176.300 0.025 0.000 0.964 354 D CA 1.638 55.653 54.000 0.024 0.000 0.877 354 D CB 0.420 41.233 40.800 0.022 0.000 0.924 354 D HN 0.790 nan 8.370 nan 0.000 0.515 355 Q N 0.000 119.823 119.800 0.039 0.000 2.315 355 Q HA 0.000 4.344 4.340 0.007 0.000 0.214 355 Q CA 0.000 nan 55.803 nan 0.000 1.022 355 Q CB 0.000 nan 28.738 nan 0.000 1.108 355 Q HN 0.000 nan 8.270 nan 0.000 0.481