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 1ynf_1_C DATA FIRST_RESID 2 DATA SEQUENCE NAWEVNFDGL VGLTHHYAXX XXXXXXXXXH RFQVSNPRLA AKQGLLKXKA DATA SEQUENCE LADAGFPQAV IPPHERPFIP VLRQLGFSGS DEQVLEKVAR QAPHWLSSVS DATA SEQUENCE SASPXWVANA ATIAPSADTL DGKVHLTVAN LNNKFHRSLE APVTESLLKA DATA SEQUENCE IFNDEEKFSV HSALPQVALL GDEGAANHNR LGGHYGEPGX QLFVYGREEG DATA SEQUENCE NDTRPSRYPA RQTREASEAV ARLNQVNPQQ VIFAQQNPDV IDQGVFHNDV DATA SEQUENCE IAVSNRQVLF CHQQAFARQS QLLANLRARV NGFXAIEVPA TQVSVSDTVS DATA SEQUENCE TYLFNSQLLS RDDGSXXLVL PQECREHAGV WGYLNELLAA DNPISELKVF DATA SEQUENCE DLRESXANGG GPACLRLRVV LTEEERRAVN PAVXXNDTLF NALNDWVDRY DATA SEQUENCE YRDRLTAADL ADPQLLREGR EALDVLSQLL NLGSVYPFQR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.432 175.510 -0.129 0.000 1.280 2 N CA 0.000 53.028 53.050 -0.036 0.000 0.885 2 N CB 0.000 38.418 38.487 -0.115 0.000 1.341 3 A N 0.759 123.600 122.820 0.036 0.000 2.425 3 A HA 0.467 4.787 4.320 -0.000 0.000 0.249 3 A C -0.747 177.038 177.584 0.335 0.000 1.084 3 A CA 0.298 52.382 52.037 0.079 0.000 0.781 3 A CB 0.231 19.324 19.000 0.155 0.000 1.019 3 A HN 0.367 nan 8.150 nan 0.000 0.490 4 W N -0.002 121.380 121.300 0.138 0.000 2.864 4 W HA 0.469 5.129 4.660 -0.000 0.000 0.343 4 W C 0.095 176.564 176.519 -0.084 0.000 1.109 4 W CA -1.112 56.296 57.345 0.106 0.000 1.192 4 W CB 1.017 30.538 29.460 0.102 0.000 1.426 4 W HN 0.800 nan 8.180 nan 0.000 0.529 5 E N 1.361 121.483 120.200 -0.130 0.000 2.194 5 E HA 0.412 4.762 4.350 -0.000 0.000 0.284 5 E C -1.158 175.457 176.600 0.026 0.000 1.035 5 E CA -0.150 56.075 56.400 -0.290 0.000 0.836 5 E CB 1.071 30.309 29.700 -0.770 0.000 1.070 5 E HN 0.161 nan 8.360 nan 0.000 0.401 6 V N 5.339 125.337 119.914 0.139 0.000 2.398 6 V HA 0.229 4.349 4.120 -0.000 0.000 0.286 6 V C -0.117 176.103 176.094 0.209 0.000 1.026 6 V CA -1.062 61.345 62.300 0.179 0.000 0.868 6 V CB 1.551 33.524 31.823 0.249 0.000 0.982 6 V HN 0.663 nan 8.190 nan 0.000 0.443 7 N N 3.778 122.533 118.700 0.092 0.000 2.444 7 N HA 0.435 5.175 4.740 -0.000 0.000 0.271 7 N C -1.068 174.468 175.510 0.044 0.000 1.069 7 N CA -0.084 53.037 53.050 0.119 0.000 0.965 7 N CB 1.227 39.746 38.487 0.053 0.000 1.092 7 N HN 0.437 nan 8.380 nan 0.000 0.476 8 F N 1.082 121.068 119.950 0.060 0.000 2.388 8 F HA 0.276 4.803 4.527 -0.000 0.000 0.358 8 F C 0.474 176.301 175.800 0.045 0.000 1.122 8 F CA -0.803 57.231 58.000 0.058 0.000 1.056 8 F CB 1.098 40.156 39.000 0.095 0.000 1.155 8 F HN 0.238 nan 8.300 nan 0.000 0.461 9 D N 1.168 121.647 120.400 0.131 0.000 2.217 9 D HA 0.495 5.135 4.640 -0.000 0.000 0.248 9 D C 0.141 176.490 176.300 0.081 0.000 1.008 9 D CA -0.287 53.766 54.000 0.089 0.000 0.914 9 D CB 1.588 42.403 40.800 0.024 0.000 1.182 9 D HN 0.627 nan 8.370 nan 0.000 0.451 10 G N 0.797 109.630 108.800 0.056 0.000 2.320 10 G HA2 0.399 4.359 3.960 -0.000 0.000 0.300 10 G HA3 0.399 4.359 3.960 -0.000 0.000 0.300 10 G C -0.624 174.272 174.900 -0.006 0.000 1.126 10 G CA -0.428 44.687 45.100 0.025 0.000 0.896 10 G HN 0.358 nan 8.290 nan 0.000 0.436 11 L N 4.774 126.009 121.223 0.019 0.000 2.385 11 L HA 0.279 4.619 4.340 -0.000 0.000 0.281 11 L C 0.498 177.401 176.870 0.054 0.000 1.106 11 L CA -0.248 54.611 54.840 0.031 0.000 0.856 11 L CB 0.757 42.843 42.059 0.044 0.000 1.186 11 L HN 0.283 nan 8.230 nan 0.000 0.453 12 V N 5.948 125.868 119.914 0.010 0.000 2.644 12 V HA 0.149 4.269 4.120 -0.000 0.000 0.305 12 V C 1.409 177.633 176.094 0.217 0.000 1.053 12 V CA 0.502 62.804 62.300 0.004 0.000 1.186 12 V CB -0.154 31.616 31.823 -0.088 0.000 0.895 12 V HN 0.979 nan 8.190 nan 0.000 0.490 13 G N 3.394 112.272 108.800 0.131 0.000 2.599 13 G HA2 0.357 4.317 3.960 -0.000 0.000 0.264 13 G HA3 0.357 4.317 3.960 -0.000 0.000 0.264 13 G C 0.808 175.711 174.900 0.005 0.000 1.200 13 G CA -0.727 44.460 45.100 0.145 0.000 0.896 13 G HN 0.728 nan 8.290 nan 0.000 0.536 14 L N 0.006 121.027 121.223 -0.337 0.000 2.191 14 L HA -0.054 4.285 4.340 -0.000 0.000 0.212 14 L C 2.840 179.540 176.870 -0.284 0.000 1.103 14 L CA 1.661 56.089 54.840 -0.688 0.000 0.769 14 L CB -0.223 41.412 42.059 -0.707 0.000 0.908 14 L HN 0.730 nan 8.230 nan 0.000 0.438 15 T N -5.158 109.325 114.554 -0.117 0.000 3.188 15 T HA -0.032 4.318 4.350 -0.000 0.000 0.250 15 T C 0.629 175.404 174.700 0.125 0.000 1.077 15 T CA -0.481 61.607 62.100 -0.020 0.000 0.967 15 T CB -0.737 68.132 68.868 0.003 0.000 1.006 15 T HN 0.240 nan 8.240 nan 0.000 0.552 16 H N 3.719 122.776 119.070 -0.021 0.000 3.214 16 H HA 0.144 4.700 4.556 -0.000 0.000 0.291 16 H C 0.400 175.693 175.328 -0.058 0.000 0.926 16 H CA 0.729 56.744 56.048 -0.054 0.000 1.409 16 H CB -0.190 29.532 29.762 -0.067 0.000 1.406 16 H HN 0.667 nan 8.280 nan 0.000 0.561 17 H N 3.120 121.825 119.070 -0.608 0.000 2.948 17 H HA 0.204 4.759 4.556 -0.000 0.000 0.315 17 H C -1.535 173.544 175.328 -0.415 0.000 1.360 17 H CA -1.029 54.633 56.048 -0.644 0.000 1.125 17 H CB 0.363 29.948 29.762 -0.296 0.000 1.844 17 H HN 0.624 nan 8.280 nan 0.000 0.529 18 Y N 0.278 120.557 120.300 -0.035 0.000 2.331 18 Y HA 0.675 5.225 4.550 -0.000 0.000 0.338 18 Y C 0.401 176.360 175.900 0.098 0.000 0.992 18 Y CA -0.607 57.513 58.100 0.033 0.000 1.121 18 Y CB 1.823 40.406 38.460 0.206 0.000 1.184 18 Y HN 0.858 nan 8.280 nan 0.000 0.469 32 R N 1.023 121.390 120.500 -0.222 0.000 2.362 32 R HA 0.258 4.598 4.340 -0.000 0.000 0.227 32 R C -0.369 175.845 176.300 -0.144 0.000 0.905 32 R CA -0.276 55.663 56.100 -0.268 0.000 1.067 32 R CB 0.303 30.427 30.300 -0.292 0.000 1.078 32 R HN 0.249 nan 8.270 nan 0.000 0.516 33 F N 1.950 122.103 119.950 0.338 0.000 2.563 33 F HA -0.064 4.463 4.527 -0.000 0.000 0.363 33 F C 1.890 177.903 175.800 0.356 0.000 1.123 33 F CA 0.325 58.491 58.000 0.276 0.000 1.307 33 F CB 0.644 39.746 39.000 0.170 0.000 1.115 33 F HN 0.064 nan 8.300 nan 0.000 0.592 34 Q N 0.395 120.488 119.800 0.489 0.000 2.211 34 Q HA 0.263 4.603 4.340 -0.000 0.000 0.242 34 Q C -1.037 175.154 176.000 0.319 0.000 0.825 34 Q CA 0.169 56.203 55.803 0.386 0.000 0.951 34 Q CB 0.677 29.538 28.738 0.205 0.000 1.130 34 Q HN 0.425 nan 8.270 nan 0.000 0.496 35 V N 3.062 123.170 119.914 0.325 0.000 2.350 35 V HA 0.399 4.519 4.120 -0.000 0.000 0.276 35 V C -0.006 176.138 176.094 0.083 0.000 1.028 35 V CA -0.360 62.031 62.300 0.151 0.000 0.860 35 V CB 1.203 33.102 31.823 0.127 0.000 0.990 35 V HN 0.424 nan 8.190 nan 0.000 0.453 36 S N 3.387 118.988 115.700 -0.166 0.000 2.681 36 S HA 0.540 5.010 4.470 -0.000 0.000 0.299 36 S C -0.318 174.225 174.600 -0.095 0.000 1.113 36 S CA -0.813 57.184 58.200 -0.338 0.000 1.013 36 S CB 1.848 64.490 63.200 -0.929 0.000 1.076 36 S HN 0.610 nan 8.310 nan 0.000 0.534 37 N N 1.190 119.902 118.700 0.020 0.000 2.776 37 N HA 0.387 5.127 4.740 -0.000 0.000 0.245 37 N C -2.392 173.205 175.510 0.146 0.000 1.121 37 N CA -2.191 50.896 53.050 0.062 0.000 0.852 37 N CB 1.185 39.697 38.487 0.042 0.000 1.142 37 N HN 0.221 nan 8.380 nan 0.000 0.514 38 P HA -0.172 nan 4.420 nan 0.000 0.214 38 P C 1.395 178.871 177.300 0.294 0.000 1.163 38 P CA 1.324 64.567 63.100 0.237 0.000 0.889 38 P CB 0.392 32.162 31.700 0.115 0.000 0.790 39 R N -0.391 120.259 120.500 0.250 0.000 2.083 39 R HA -0.171 4.169 4.340 -0.000 0.000 0.237 39 R C 2.144 178.442 176.300 -0.004 0.000 1.137 39 R CA 1.521 57.695 56.100 0.122 0.000 0.951 39 R CB -1.212 29.131 30.300 0.071 0.000 0.851 39 R HN 0.067 nan 8.270 nan 0.000 0.434 40 L N 0.588 121.820 121.223 0.015 0.000 2.093 40 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 40 L C 2.228 179.079 176.870 -0.032 0.000 1.085 40 L CA 2.056 56.890 54.840 -0.010 0.000 0.755 40 L CB -0.646 41.416 42.059 0.005 0.000 0.904 40 L HN 0.293 nan 8.230 nan 0.000 0.435 41 A N -0.340 122.452 122.820 -0.046 0.000 1.902 41 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 41 A C 2.460 179.969 177.584 -0.125 0.000 1.181 41 A CA 1.874 53.822 52.037 -0.149 0.000 0.623 41 A CB -1.164 17.576 19.000 -0.433 0.000 0.818 41 A HN 0.577 nan 8.150 nan 0.000 0.443 42 A N -0.461 122.298 122.820 -0.101 0.000 1.873 42 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 42 A C 2.098 179.612 177.584 -0.117 0.000 1.186 42 A CA 1.721 53.679 52.037 -0.130 0.000 0.616 42 A CB -0.359 18.455 19.000 -0.310 0.000 0.823 42 A HN 0.328 nan 8.150 nan 0.000 0.442 43 K N 0.055 120.386 120.400 -0.115 0.000 2.063 43 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 43 K C 2.134 178.723 176.600 -0.018 0.000 1.048 43 K CA 1.764 58.007 56.287 -0.073 0.000 0.928 43 K CB -0.571 31.892 32.500 -0.062 0.000 0.713 43 K HN 0.706 nan 8.250 nan 0.000 0.442 44 Q N -0.621 119.166 119.800 -0.021 0.000 2.084 44 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 44 Q C 2.181 178.162 176.000 -0.033 0.000 0.978 44 Q CA 1.526 57.328 55.803 -0.002 0.000 0.844 44 Q CB -0.294 28.444 28.738 -0.001 0.000 0.898 44 Q HN 0.460 nan 8.270 nan 0.000 0.426 45 G N 0.655 109.425 108.800 -0.050 0.000 2.402 45 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 45 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 45 G C 1.389 176.261 174.900 -0.048 0.000 1.162 45 G CA 0.330 45.391 45.100 -0.065 0.000 0.777 45 G HN 0.157 nan 8.290 nan 0.000 0.539 46 L N 0.033 121.260 121.223 0.006 0.000 2.093 46 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 46 L C 2.876 179.878 176.870 0.220 0.000 1.085 46 L CA 0.436 55.345 54.840 0.116 0.000 0.755 46 L CB -0.325 41.780 42.059 0.077 0.000 0.904 46 L HN 0.182 nan 8.230 nan 0.000 0.435 47 L N -0.223 121.091 121.223 0.152 0.000 2.012 47 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 47 L C 1.779 178.600 176.870 -0.082 0.000 1.073 47 L CA 0.995 55.908 54.840 0.123 0.000 0.748 47 L CB -0.520 41.616 42.059 0.128 0.000 0.891 47 L HN 0.251 nan 8.230 nan 0.000 0.431 51 A N 1.662 124.442 122.820 -0.066 0.000 1.883 51 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 51 A C 1.970 179.641 177.584 0.143 0.000 1.186 51 A CA 1.896 53.985 52.037 0.088 0.000 0.624 51 A CB -0.746 18.457 19.000 0.337 0.000 0.822 51 A HN 0.238 nan 8.150 nan 0.000 0.444 52 L N -0.968 120.348 121.223 0.154 0.000 2.093 52 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 52 L C 3.116 180.121 176.870 0.225 0.000 1.085 52 L CA 0.941 55.937 54.840 0.259 0.000 0.755 52 L CB -0.661 41.483 42.059 0.142 0.000 0.904 52 L HN 0.449 nan 8.230 nan 0.000 0.435 53 A N 0.246 123.106 122.820 0.066 0.000 1.865 53 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 53 A C 1.923 179.487 177.584 -0.033 0.000 1.191 53 A CA 2.126 54.165 52.037 0.002 0.000 0.623 53 A CB -0.623 18.346 19.000 -0.052 0.000 0.826 53 A HN 0.344 nan 8.150 nan 0.000 0.444 54 D N 0.058 120.430 120.400 -0.047 0.000 2.149 54 D HA -0.064 4.576 4.640 -0.000 0.000 0.198 54 D C 1.934 178.197 176.300 -0.061 0.000 0.990 54 D CA 1.519 55.481 54.000 -0.063 0.000 0.839 54 D CB -0.377 40.381 40.800 -0.071 0.000 0.948 54 D HN 0.449 nan 8.370 nan 0.000 0.460 55 A N -0.604 122.209 122.820 -0.013 0.000 2.235 55 A HA 0.376 4.696 4.320 -0.000 0.000 0.208 55 A C 1.751 179.121 177.584 -0.357 0.000 1.172 55 A CA 1.228 53.226 52.037 -0.066 0.000 0.786 55 A CB -0.204 18.892 19.000 0.160 0.000 0.804 55 A HN 0.287 nan 8.150 nan 0.000 0.479 56 G N -2.250 106.349 108.800 -0.335 0.000 2.163 56 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.213 56 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.213 56 G C -0.089 174.449 174.900 -0.603 0.000 0.991 56 G CA -0.115 44.692 45.100 -0.488 0.000 0.653 56 G HN 0.369 nan 8.290 nan 0.000 0.518 57 F N 1.744 121.629 119.950 -0.108 0.000 2.371 57 F HA 0.485 5.012 4.527 -0.000 0.000 0.363 57 F C -1.699 174.047 175.800 -0.091 0.000 1.122 57 F CA -2.387 55.553 58.000 -0.101 0.000 1.129 57 F CB 1.239 40.213 39.000 -0.044 0.000 1.173 57 F HN -0.177 nan 8.300 nan 0.000 0.489 58 P HA -0.088 nan 4.420 nan 0.000 0.259 58 P C -0.835 176.477 177.300 0.020 0.000 1.163 58 P CA 0.384 63.515 63.100 0.052 0.000 0.760 58 P CB 0.465 32.262 31.700 0.161 0.000 0.762 59 Q N 2.727 122.496 119.800 -0.051 0.000 2.359 59 Q HA 0.777 5.117 4.340 -0.000 0.000 0.274 59 Q C -1.638 174.207 176.000 -0.259 0.000 1.074 59 Q CA -0.802 54.925 55.803 -0.126 0.000 0.810 59 Q CB 2.067 30.768 28.738 -0.062 0.000 1.342 59 Q HN 0.454 nan 8.270 nan 0.000 0.427 60 A N 1.869 124.434 122.820 -0.426 0.000 2.552 60 A HA 0.911 5.231 4.320 -0.000 0.000 0.288 60 A C -1.610 175.791 177.584 -0.304 0.000 1.193 60 A CA -0.312 51.398 52.037 -0.545 0.000 0.713 60 A CB 1.587 19.790 19.000 -1.327 0.000 1.305 60 A HN 0.810 nan 8.150 nan 0.000 0.424 61 V N 0.063 119.880 119.914 -0.162 0.000 3.007 61 V HA 0.739 4.859 4.120 -0.000 0.000 0.311 61 V C -1.592 174.557 176.094 0.090 0.000 1.120 61 V CA -0.726 61.568 62.300 -0.009 0.000 0.980 61 V CB 1.803 33.607 31.823 -0.032 0.000 1.033 61 V HN 0.724 nan 8.190 nan 0.000 0.429 62 I N 6.973 127.610 120.570 0.111 0.000 2.466 62 I HA 0.464 4.634 4.170 -0.000 0.000 0.289 62 I C -2.414 173.753 176.117 0.084 0.000 1.026 62 I CA -1.913 59.457 61.300 0.117 0.000 1.078 62 I CB 2.558 40.654 38.000 0.160 0.000 1.249 62 I HN 0.522 nan 8.210 nan 0.000 0.429 63 P HA 0.235 nan 4.420 nan 0.000 0.272 63 P C -2.662 174.772 177.300 0.224 0.000 1.240 63 P CA -1.151 62.015 63.100 0.110 0.000 0.791 63 P CB 0.071 31.834 31.700 0.104 0.000 0.978 64 P HA 0.186 nan 4.420 nan 0.000 0.277 64 P C -0.185 177.370 177.300 0.425 0.000 1.276 64 P CA 0.026 63.281 63.100 0.259 0.000 0.788 64 P CB 0.758 32.590 31.700 0.220 0.000 1.114 65 H N -1.762 117.356 119.070 0.079 0.000 2.630 65 H HA 0.222 4.778 4.556 -0.000 0.000 0.343 65 H C 0.008 175.303 175.328 -0.054 0.000 1.232 65 H CA -0.855 55.240 56.048 0.078 0.000 1.294 65 H CB 1.206 30.984 29.762 0.026 0.000 1.746 65 H HN 0.459 nan 8.280 nan 0.000 0.593 66 E N 1.913 122.171 120.200 0.097 0.000 2.292 66 E HA -0.004 4.346 4.350 -0.000 0.000 0.265 66 E C -0.723 175.981 176.600 0.172 0.000 1.093 66 E CA -0.178 56.273 56.400 0.086 0.000 0.922 66 E CB 0.189 30.101 29.700 0.353 0.000 1.001 66 E HN 0.273 nan 8.360 nan 0.000 0.444 67 R N 4.714 125.239 120.500 0.043 0.000 2.564 67 R HA 0.358 4.698 4.340 -0.000 0.000 0.284 67 R C -2.656 173.625 176.300 -0.032 0.000 1.031 67 R CA -2.278 53.855 56.100 0.055 0.000 0.904 67 R CB 1.315 31.640 30.300 0.041 0.000 1.199 67 R HN 0.473 nan 8.270 nan 0.000 0.443 68 P HA 0.085 nan 4.420 nan 0.000 0.269 68 P C -0.573 176.800 177.300 0.121 0.000 1.215 68 P CA -0.219 62.908 63.100 0.045 0.000 0.780 68 P CB 0.347 32.040 31.700 -0.012 0.000 0.898 69 F N 3.214 123.169 119.950 0.008 0.000 2.351 69 F HA 0.288 4.815 4.527 -0.000 0.000 0.362 69 F C 1.074 176.888 175.800 0.023 0.000 1.131 69 F CA -0.323 57.693 58.000 0.026 0.000 1.187 69 F CB -0.563 38.465 39.000 0.047 0.000 1.434 69 F HN 0.239 nan 8.300 nan 0.000 0.553 70 I N 5.905 126.307 120.570 -0.281 0.000 2.361 70 I HA -0.174 3.996 4.170 -0.000 0.000 0.251 70 I C -0.637 175.282 176.117 -0.331 0.000 1.133 70 I CA 0.808 61.961 61.300 -0.245 0.000 1.413 70 I CB -1.134 36.765 38.000 -0.168 0.000 1.073 70 I HN 0.406 nan 8.210 nan 0.000 0.424 71 P HA -0.191 nan 4.420 nan 0.000 0.216 71 P C 1.962 179.132 177.300 -0.217 0.000 1.150 71 P CA 1.211 64.047 63.100 -0.440 0.000 0.843 71 P CB 0.055 31.375 31.700 -0.633 0.000 0.787 72 V N -0.951 118.869 119.914 -0.158 0.000 2.667 72 V HA -0.138 3.982 4.120 -0.000 0.000 0.252 72 V C 1.998 178.107 176.094 0.025 0.000 1.065 72 V CA 1.308 63.657 62.300 0.082 0.000 1.083 72 V CB -0.912 31.088 31.823 0.294 0.000 0.692 72 V HN 0.018 nan 8.190 nan 0.000 0.468 73 L N -0.602 120.609 121.223 -0.020 0.000 2.141 73 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 73 L C 2.781 179.707 176.870 0.094 0.000 1.094 73 L CA 1.435 56.270 54.840 -0.009 0.000 0.763 73 L CB -0.575 41.437 42.059 -0.079 0.000 0.908 73 L HN 0.241 nan 8.230 nan 0.000 0.437 74 R N -0.283 120.231 120.500 0.023 0.000 2.092 74 R HA -0.153 4.187 4.340 -0.000 0.000 0.231 74 R C 2.216 178.518 176.300 0.003 0.000 1.119 74 R CA 1.052 57.168 56.100 0.026 0.000 0.970 74 R CB -0.231 30.060 30.300 -0.016 0.000 0.864 74 R HN 0.468 nan 8.270 nan 0.000 0.440 75 Q N 0.439 120.237 119.800 -0.004 0.000 2.226 75 Q HA -0.077 4.263 4.340 -0.000 0.000 0.204 75 Q C 1.740 177.712 176.000 -0.047 0.000 0.975 75 Q CA 0.952 56.750 55.803 -0.009 0.000 0.866 75 Q CB 0.081 28.834 28.738 0.025 0.000 0.915 75 Q HN 0.343 nan 8.270 nan 0.000 0.440 76 L N -1.260 119.925 121.223 -0.064 0.000 2.599 76 L HA 0.103 4.443 4.340 -0.000 0.000 0.230 76 L C 1.100 177.839 176.870 -0.219 0.000 1.141 76 L CA 0.507 55.259 54.840 -0.148 0.000 0.877 76 L CB 0.187 42.091 42.059 -0.260 0.000 1.009 76 L HN 0.415 nan 8.230 nan 0.000 0.447 77 G N -0.656 108.030 108.800 -0.189 0.000 2.184 77 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.206 77 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.206 77 G C 0.013 174.660 174.900 -0.421 0.000 0.995 77 G CA -0.658 44.246 45.100 -0.326 0.000 0.651 77 G HN 0.151 nan 8.290 nan 0.000 0.511 78 F N 2.901 122.809 119.950 -0.069 0.000 2.411 78 F HA 0.626 5.153 4.527 -0.000 0.000 0.355 78 F C 1.026 176.798 175.800 -0.046 0.000 1.117 78 F CA -0.119 57.851 58.000 -0.049 0.000 1.139 78 F CB 1.612 40.581 39.000 -0.052 0.000 1.120 78 F HN 0.242 nan 8.300 nan 0.000 0.493 79 S N 1.666 117.423 115.700 0.095 0.000 2.747 79 S HA 0.998 5.468 4.470 -0.000 0.000 0.300 79 S C 0.108 174.737 174.600 0.050 0.000 1.121 79 S CA -0.194 58.035 58.200 0.048 0.000 0.995 79 S CB 1.807 65.013 63.200 0.010 0.000 1.113 79 S HN 1.368 nan 8.310 nan 0.000 0.547 80 G N 0.405 109.220 108.800 0.025 0.000 2.342 80 G HA2 0.127 4.087 3.960 -0.000 0.000 0.220 80 G HA3 0.127 4.087 3.960 -0.000 0.000 0.220 80 G C -0.520 174.385 174.900 0.008 0.000 1.243 80 G CA -0.398 44.713 45.100 0.018 0.000 1.083 80 G HN 1.208 nan 8.290 nan 0.000 0.500 81 S N 0.041 115.742 115.700 0.003 0.000 2.645 81 S HA 0.464 4.934 4.470 -0.000 0.000 0.266 81 S C 0.949 175.540 174.600 -0.015 0.000 1.258 81 S CA 0.173 58.370 58.200 -0.005 0.000 0.990 81 S CB 1.266 64.463 63.200 -0.006 0.000 0.967 81 S HN 0.578 nan 8.310 nan 0.000 0.556 82 D N 1.458 121.843 120.400 -0.025 0.000 2.158 82 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 82 D C 1.815 178.088 176.300 -0.045 0.000 0.995 82 D CA 1.362 55.337 54.000 -0.043 0.000 0.846 82 D CB -0.120 40.649 40.800 -0.051 0.000 0.941 82 D HN 0.628 nan 8.370 nan 0.000 0.456 83 E N 0.520 120.698 120.200 -0.037 0.000 2.107 83 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 83 E C 2.072 178.654 176.600 -0.029 0.000 0.982 83 E CA 0.619 56.996 56.400 -0.037 0.000 0.809 83 E CB -0.306 29.375 29.700 -0.031 0.000 0.756 83 E HN 0.487 nan 8.360 nan 0.000 0.459 84 Q N 0.926 120.716 119.800 -0.016 0.000 2.079 84 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 84 Q C 2.533 178.534 176.000 0.002 0.000 0.974 84 Q CA 1.286 57.087 55.803 -0.002 0.000 0.840 84 Q CB -0.189 28.555 28.738 0.010 0.000 0.898 84 Q HN 0.090 nan 8.270 nan 0.000 0.430 85 V N 1.355 121.268 119.914 -0.002 0.000 2.287 85 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 85 V C 2.237 178.281 176.094 -0.084 0.000 1.053 85 V CA 1.631 63.929 62.300 -0.003 0.000 1.027 85 V CB -0.621 31.195 31.823 -0.010 0.000 0.646 85 V HN 0.283 nan 8.190 nan 0.000 0.447 86 L N 0.261 121.434 121.223 -0.083 0.000 2.042 86 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 86 L C 2.451 179.263 176.870 -0.097 0.000 1.076 86 L CA 2.405 57.184 54.840 -0.102 0.000 0.749 86 L CB -0.636 41.375 42.059 -0.080 0.000 0.893 86 L HN 0.403 nan 8.230 nan 0.000 0.432 87 E N -0.289 119.874 120.200 -0.060 0.000 2.072 87 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 87 E C 2.177 178.758 176.600 -0.033 0.000 0.985 87 E CA 1.536 57.911 56.400 -0.040 0.000 0.801 87 E CB -0.088 29.600 29.700 -0.019 0.000 0.750 87 E HN 0.438 nan 8.360 nan 0.000 0.452 88 K N -0.428 119.963 120.400 -0.015 0.000 2.057 88 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 88 K C 2.107 178.676 176.600 -0.051 0.000 1.049 88 K CA 1.450 57.764 56.287 0.045 0.000 0.931 88 K CB -0.145 32.461 32.500 0.177 0.000 0.714 88 K HN 0.034 nan 8.250 nan 0.000 0.440 89 V N 1.269 121.002 119.914 -0.301 0.000 2.358 89 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 89 V C 2.338 178.315 176.094 -0.195 0.000 1.047 89 V CA 1.946 63.946 62.300 -0.500 0.000 1.035 89 V CB -0.666 30.775 31.823 -0.636 0.000 0.658 89 V HN 0.352 nan 8.190 nan 0.000 0.452 90 A N 0.088 122.830 122.820 -0.129 0.000 1.908 90 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 90 A C 2.403 179.971 177.584 -0.028 0.000 1.181 90 A CA 2.013 54.009 52.037 -0.070 0.000 0.627 90 A CB -0.447 18.517 19.000 -0.059 0.000 0.818 90 A HN 0.525 nan 8.150 nan 0.000 0.445 91 R N -0.975 119.519 120.500 -0.010 0.000 2.057 91 R HA -0.073 4.267 4.340 -0.000 0.000 0.229 91 R C 2.549 178.884 176.300 0.058 0.000 1.136 91 R CA 1.651 57.766 56.100 0.024 0.000 0.952 91 R CB -0.342 29.978 30.300 0.034 0.000 0.848 91 R HN 0.684 nan 8.270 nan 0.000 0.430 92 Q N -0.465 119.391 119.800 0.093 0.000 2.089 92 Q HA 0.098 4.438 4.340 -0.000 0.000 0.195 92 Q C 0.304 176.423 176.000 0.198 0.000 0.963 92 Q CA 1.102 57.007 55.803 0.171 0.000 0.834 92 Q CB 0.487 29.406 28.738 0.301 0.000 0.906 92 Q HN 0.214 nan 8.270 nan 0.000 0.452 93 A N 0.787 123.695 122.820 0.146 0.000 3.409 93 A HA 0.253 4.573 4.320 -0.000 0.000 0.282 93 A C -2.182 175.301 177.584 -0.167 0.000 1.064 93 A CA -0.975 51.127 52.037 0.109 0.000 0.889 93 A CB 0.449 19.643 19.000 0.323 0.000 1.251 93 A HN -0.013 nan 8.150 nan 0.000 0.538 94 P HA -0.250 nan 4.420 nan 0.000 0.220 94 P C 1.037 178.284 177.300 -0.088 0.000 1.144 94 P CA 1.847 64.909 63.100 -0.063 0.000 0.800 94 P CB -0.337 31.362 31.700 -0.002 0.000 0.772 95 H N -3.480 115.527 119.070 -0.105 0.000 2.489 95 H HA -0.064 4.492 4.556 -0.000 0.000 0.293 95 H C 1.813 177.061 175.328 -0.133 0.000 1.066 95 H CA 0.753 56.697 56.048 -0.173 0.000 1.305 95 H CB -1.462 28.113 29.762 -0.312 0.000 1.386 95 H HN 0.195 nan 8.280 nan 0.000 0.551 96 W N 1.056 122.120 121.300 -0.394 0.000 2.402 96 W HA 0.038 4.697 4.660 -0.000 0.000 0.286 96 W C 1.814 178.307 176.519 -0.043 0.000 1.221 96 W CA 0.204 57.450 57.345 -0.165 0.000 1.257 96 W CB 0.023 29.329 29.460 -0.255 0.000 1.120 96 W HN 0.162 nan 8.180 nan 0.000 0.551 97 L N -0.287 121.001 121.223 0.107 0.000 2.013 97 L HA -0.317 4.022 4.340 -0.000 0.000 0.212 97 L C 2.700 179.618 176.870 0.081 0.000 1.073 97 L CA 1.759 56.629 54.840 0.050 0.000 0.753 97 L CB -1.257 40.779 42.059 -0.038 0.000 0.890 97 L HN -0.010 nan 8.230 nan 0.000 0.432 98 S N -0.754 115.003 115.700 0.094 0.000 2.368 98 S HA -0.178 4.292 4.470 -0.000 0.000 0.225 98 S C 2.134 176.899 174.600 0.274 0.000 1.030 98 S CA 1.750 60.063 58.200 0.188 0.000 0.999 98 S CB -0.122 63.208 63.200 0.217 0.000 0.844 98 S HN 0.402 nan 8.310 nan 0.000 0.459 99 S N 0.737 116.617 115.700 0.301 0.000 2.442 99 S HA -0.051 4.418 4.470 -0.000 0.000 0.236 99 S C 1.522 176.345 174.600 0.372 0.000 1.007 99 S CA 1.229 59.681 58.200 0.419 0.000 0.965 99 S CB -0.098 63.545 63.200 0.738 0.000 0.773 99 S HN 0.757 nan 8.310 nan 0.000 0.504 100 V N -2.139 117.967 119.914 0.321 0.000 3.319 100 V HA 0.447 4.567 4.120 -0.000 0.000 0.317 100 V C 0.457 176.671 176.094 0.199 0.000 1.411 100 V CA -0.070 62.380 62.300 0.250 0.000 1.112 100 V CB 0.463 32.443 31.823 0.261 0.000 1.031 100 V HN 0.196 nan 8.190 nan 0.000 0.448 101 S N 0.149 115.969 115.700 0.200 0.000 2.855 101 S HA 0.307 4.777 4.470 -0.000 0.000 0.249 101 S C 0.588 175.356 174.600 0.281 0.000 1.033 101 S CA 0.174 58.477 58.200 0.172 0.000 1.038 101 S CB 0.418 63.646 63.200 0.047 0.000 0.960 101 S HN 0.594 nan 8.310 nan 0.000 0.548 102 S N 1.754 117.594 115.700 0.234 0.000 2.565 102 S HA 0.515 4.985 4.470 -0.000 0.000 0.276 102 S C 0.918 175.551 174.600 0.055 0.000 1.326 102 S CA -0.288 57.992 58.200 0.133 0.000 1.045 102 S CB 0.900 64.205 63.200 0.176 0.000 0.918 102 S HN 0.460 nan 8.310 nan 0.000 0.505 103 A N 3.609 126.423 122.820 -0.010 0.000 2.370 103 A HA 0.219 4.539 4.320 -0.000 0.000 0.238 103 A C 1.864 179.282 177.584 -0.277 0.000 1.289 103 A CA 0.452 52.434 52.037 -0.090 0.000 0.885 103 A CB -0.883 18.100 19.000 -0.028 0.000 0.961 103 A HN 1.122 nan 8.150 nan 0.000 0.499 104 S N 0.173 115.775 115.700 -0.164 0.000 2.420 104 S HA -0.066 4.404 4.470 -0.000 0.000 0.237 104 S C -1.175 173.299 174.600 -0.210 0.000 1.023 104 S CA 0.426 58.543 58.200 -0.139 0.000 0.991 104 S CB -1.426 61.968 63.200 0.323 0.000 0.792 104 S HN 0.401 nan 8.310 nan 0.000 0.488 108 V N -0.126 119.889 119.914 0.169 0.000 3.241 108 V HA -0.041 4.079 4.120 -0.000 0.000 0.269 108 V C 1.816 177.973 176.094 0.104 0.000 1.151 108 V CA 2.081 64.451 62.300 0.116 0.000 1.158 108 V CB -0.608 31.283 31.823 0.112 0.000 0.764 108 V HN 0.262 nan 8.190 nan 0.000 0.508 109 A N 1.225 124.122 122.820 0.129 0.000 2.067 109 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 109 A C 1.841 179.436 177.584 0.019 0.000 1.158 109 A CA 1.903 53.986 52.037 0.076 0.000 0.661 109 A CB -0.806 18.244 19.000 0.083 0.000 0.801 109 A HN 0.701 nan 8.150 nan 0.000 0.452 110 N N -0.654 118.063 118.700 0.029 0.000 2.236 110 N HA 0.322 5.062 4.740 -0.000 0.000 0.196 110 N C 1.440 176.960 175.510 0.016 0.000 1.114 110 N CA 0.483 53.525 53.050 -0.013 0.000 0.859 110 N CB 0.197 38.670 38.487 -0.023 0.000 0.982 110 N HN 0.405 nan 8.380 nan 0.000 0.493 111 A N 0.501 123.338 122.820 0.029 0.000 1.902 111 A HA 0.397 4.717 4.320 -0.000 0.000 0.217 111 A C 1.045 178.630 177.584 0.001 0.000 1.181 111 A CA 1.560 53.612 52.037 0.025 0.000 0.623 111 A CB -0.054 18.965 19.000 0.033 0.000 0.818 111 A HN 0.323 nan 8.150 nan 0.000 0.443 112 A N -3.455 119.352 122.820 -0.022 0.000 2.511 112 A HA 0.595 4.915 4.320 -0.000 0.000 0.293 112 A C -0.689 176.854 177.584 -0.069 0.000 1.098 112 A CA -0.000 52.012 52.037 -0.041 0.000 0.643 112 A CB 0.030 18.983 19.000 -0.079 0.000 1.302 112 A HN 0.198 nan 8.150 nan 0.000 0.446 113 T N 1.596 116.099 114.554 -0.085 0.000 2.807 113 T HA 0.597 4.947 4.350 -0.000 0.000 0.279 113 T C -0.444 174.145 174.700 -0.185 0.000 0.993 113 T CA -0.263 61.729 62.100 -0.179 0.000 0.970 113 T CB 0.717 69.501 68.868 -0.141 0.000 0.950 113 T HN 0.449 nan 8.240 nan 0.000 0.441 114 I N 2.361 122.792 120.570 -0.232 0.000 2.460 114 I HA 0.674 4.844 4.170 -0.000 0.000 0.298 114 I C 0.165 176.252 176.117 -0.051 0.000 0.989 114 I CA -1.215 60.002 61.300 -0.139 0.000 1.173 114 I CB 1.260 39.189 38.000 -0.119 0.000 1.338 114 I HN 0.729 nan 8.210 nan 0.000 0.456 115 A N 7.841 130.680 122.820 0.031 0.000 2.410 115 A HA 0.737 5.057 4.320 -0.000 0.000 0.289 115 A C -2.650 175.006 177.584 0.120 0.000 1.200 115 A CA -1.397 50.707 52.037 0.111 0.000 0.751 115 A CB 0.707 19.792 19.000 0.142 0.000 1.161 115 A HN 0.401 nan 8.150 nan 0.000 0.459 116 P HA 0.050 nan 4.420 nan 0.000 0.269 116 P C 1.225 178.602 177.300 0.128 0.000 1.215 116 P CA 0.225 63.395 63.100 0.117 0.000 0.780 116 P CB 0.822 32.597 31.700 0.124 0.000 0.898 117 S N 1.498 117.270 115.700 0.119 0.000 2.440 117 S HA -0.199 4.271 4.470 -0.000 0.000 0.238 117 S C 1.744 176.401 174.600 0.094 0.000 1.010 117 S CA 1.083 59.348 58.200 0.108 0.000 0.972 117 S CB -1.186 62.057 63.200 0.071 0.000 0.774 117 S HN 0.503 nan 8.310 nan 0.000 0.501 118 A N 1.440 124.319 122.820 0.097 0.000 2.168 118 A HA 0.036 4.356 4.320 -0.000 0.000 0.215 118 A C 1.435 179.070 177.584 0.086 0.000 1.152 118 A CA 1.134 53.224 52.037 0.089 0.000 0.716 118 A CB -0.191 18.871 19.000 0.103 0.000 0.794 118 A HN 0.514 nan 8.150 nan 0.000 0.465 119 D N -0.838 119.619 120.400 0.095 0.000 2.441 119 D HA 0.074 4.714 4.640 -0.000 0.000 0.210 119 D C 0.626 176.970 176.300 0.073 0.000 1.102 119 D CA 0.865 54.917 54.000 0.086 0.000 0.840 119 D CB 0.090 40.953 40.800 0.104 0.000 0.990 119 D HN 0.483 nan 8.370 nan 0.000 0.505 120 T N -1.093 113.509 114.554 0.081 0.000 2.909 120 T HA 0.289 4.639 4.350 -0.000 0.000 0.286 120 T C 1.226 175.953 174.700 0.046 0.000 1.002 120 T CA -0.610 61.524 62.100 0.057 0.000 1.074 120 T CB 1.778 70.726 68.868 0.134 0.000 0.984 120 T HN -0.305 nan 8.240 nan 0.000 0.495 121 L N 1.528 122.759 121.223 0.012 0.000 2.291 121 L HA 0.086 4.426 4.340 -0.000 0.000 0.214 121 L C 2.117 179.012 176.870 0.042 0.000 1.120 121 L CA 1.412 56.264 54.840 0.019 0.000 0.799 121 L CB -0.591 41.467 42.059 -0.002 0.000 0.925 121 L HN 0.896 nan 8.230 nan 0.000 0.446 122 D N -2.043 118.403 120.400 0.078 0.000 2.402 122 D HA 0.119 4.759 4.640 -0.000 0.000 0.216 122 D C 1.418 177.774 176.300 0.093 0.000 1.128 122 D CA 0.594 54.650 54.000 0.095 0.000 0.833 122 D CB 0.091 40.975 40.800 0.139 0.000 0.971 122 D HN 0.197 nan 8.370 nan 0.000 0.503 123 G N 0.947 109.802 108.800 0.090 0.000 2.180 123 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.263 123 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.263 123 G C 0.184 175.122 174.900 0.063 0.000 0.989 123 G CA 0.664 45.806 45.100 0.068 0.000 0.692 123 G HN 0.468 nan 8.290 nan 0.000 0.526 124 K N -0.812 119.652 120.400 0.107 0.000 2.211 124 K HA 0.652 4.972 4.320 -0.000 0.000 0.237 124 K C 0.179 176.830 176.600 0.085 0.000 1.002 124 K CA -0.994 55.304 56.287 0.018 0.000 0.885 124 K CB 2.202 34.647 32.500 -0.092 0.000 1.136 124 K HN -0.015 nan 8.250 nan 0.000 0.448 125 V N 2.695 122.618 119.914 0.015 0.000 2.461 125 V HA 0.094 4.214 4.120 -0.000 0.000 0.275 125 V C -0.092 175.965 176.094 -0.061 0.000 1.047 125 V CA -0.209 62.147 62.300 0.094 0.000 0.955 125 V CB 0.333 32.302 31.823 0.242 0.000 0.988 125 V HN 0.588 nan 8.190 nan 0.000 0.471 126 H N 5.333 124.401 119.070 -0.003 0.000 2.469 126 H HA 0.600 5.156 4.556 -0.000 0.000 0.342 126 H C -1.194 174.053 175.328 -0.134 0.000 1.115 126 H CA -0.670 55.344 56.048 -0.057 0.000 1.204 126 H CB 2.165 31.981 29.762 0.089 0.000 1.492 126 H HN 0.359 nan 8.280 nan 0.000 0.499 127 L N 2.612 123.742 121.223 -0.156 0.000 2.404 127 L HA 0.244 4.584 4.340 -0.000 0.000 0.272 127 L C 0.126 176.933 176.870 -0.105 0.000 0.980 127 L CA -0.344 54.381 54.840 -0.191 0.000 0.836 127 L CB 1.927 43.759 42.059 -0.379 0.000 1.238 127 L HN 0.514 nan 8.230 nan 0.000 0.408 128 T N 2.279 116.837 114.554 0.007 0.000 2.772 128 T HA 0.477 4.827 4.350 -0.000 0.000 0.288 128 T C 0.186 174.904 174.700 0.029 0.000 0.994 128 T CA -0.476 61.675 62.100 0.084 0.000 0.951 128 T CB 1.325 70.289 68.868 0.160 0.000 0.933 128 T HN 0.199 nan 8.240 nan 0.000 0.447 129 V N 3.241 123.169 119.914 0.024 0.000 2.673 129 V HA 0.307 4.427 4.120 -0.000 0.000 0.303 129 V C 0.884 176.999 176.094 0.035 0.000 1.046 129 V CA -0.471 61.839 62.300 0.016 0.000 1.126 129 V CB 0.229 32.063 31.823 0.018 0.000 0.934 129 V HN 1.033 nan 8.190 nan 0.000 0.487 130 A N 3.994 126.832 122.820 0.031 0.000 2.328 130 A HA 0.431 4.751 4.320 -0.000 0.000 0.284 130 A C 1.116 178.725 177.584 0.041 0.000 1.160 130 A CA -0.347 51.717 52.037 0.045 0.000 0.818 130 A CB 0.153 19.180 19.000 0.044 0.000 1.087 130 A HN 1.014 nan 8.150 nan 0.000 0.504 131 N N 2.538 121.267 118.700 0.048 0.000 2.309 131 N HA -0.133 4.607 4.740 -0.000 0.000 0.182 131 N C 0.464 175.993 175.510 0.033 0.000 1.018 131 N CA 1.092 54.166 53.050 0.041 0.000 0.876 131 N CB -0.831 37.685 38.487 0.048 0.000 0.972 131 N HN 0.742 nan 8.380 nan 0.000 0.434 132 L N -0.033 121.215 121.223 0.041 0.000 3.660 132 L HA -0.265 4.075 4.340 -0.000 0.000 0.440 132 L C 1.182 178.066 176.870 0.024 0.000 1.262 132 L CA 0.433 55.291 54.840 0.030 0.000 0.837 132 L CB -1.987 40.068 42.059 -0.006 0.000 1.689 132 L HN 0.474 nan 8.230 nan 0.000 0.890 133 N N 1.189 119.918 118.700 0.049 0.000 2.223 133 N HA -0.198 4.542 4.740 -0.000 0.000 0.185 133 N C 1.468 177.024 175.510 0.076 0.000 1.016 133 N CA 1.595 54.684 53.050 0.065 0.000 0.863 133 N CB 0.049 38.578 38.487 0.070 0.000 0.983 133 N HN 0.677 nan 8.380 nan 0.000 0.429 134 N N 0.667 119.404 118.700 0.062 0.000 2.149 134 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 134 N C -0.425 175.132 175.510 0.077 0.000 1.019 134 N CA 1.016 54.103 53.050 0.063 0.000 0.857 134 N CB 0.114 38.624 38.487 0.039 0.000 0.997 134 N HN 0.119 nan 8.380 nan 0.000 0.426 135 K N 0.837 121.262 120.400 0.041 0.000 2.265 135 K HA 0.059 4.379 4.320 -0.000 0.000 0.267 135 K C 0.487 177.146 176.600 0.098 0.000 0.994 135 K CA -0.607 55.720 56.287 0.067 0.000 0.860 135 K CB 0.938 33.385 32.500 -0.088 0.000 1.099 135 K HN 0.038 nan 8.250 nan 0.000 0.448 136 F N 4.655 124.685 119.950 0.134 0.000 2.063 136 F HA -0.354 4.173 4.527 -0.000 0.000 0.298 136 F C 2.457 178.355 175.800 0.164 0.000 1.109 136 F CA 2.062 60.166 58.000 0.173 0.000 1.212 136 F CB 0.114 39.276 39.000 0.270 0.000 0.973 136 F HN 0.781 nan 8.300 nan 0.000 0.480 137 H N 0.163 119.205 119.070 -0.048 0.000 2.456 137 H HA -0.070 4.486 4.556 -0.000 0.000 0.296 137 H C 1.832 177.075 175.328 -0.141 0.000 1.079 137 H CA 1.568 57.511 56.048 -0.175 0.000 1.322 137 H CB -0.746 29.049 29.762 0.056 0.000 1.388 137 H HN 0.374 nan 8.280 nan 0.000 0.538 138 R N 0.842 120.994 120.500 -0.581 0.000 2.173 138 R HA 0.003 4.343 4.340 -0.000 0.000 0.208 138 R C 2.575 178.756 176.300 -0.198 0.000 1.035 138 R CA 0.865 56.747 56.100 -0.363 0.000 1.004 138 R CB 0.022 30.107 30.300 -0.358 0.000 0.917 138 R HN 0.488 nan 8.270 nan 0.000 0.462 139 S N 1.137 116.734 115.700 -0.171 0.000 2.442 139 S HA -0.061 4.409 4.470 -0.000 0.000 0.236 139 S C 1.989 176.525 174.600 -0.106 0.000 1.007 139 S CA 0.754 58.904 58.200 -0.082 0.000 0.965 139 S CB -0.346 62.856 63.200 0.003 0.000 0.773 139 S HN 0.226 nan 8.310 nan 0.000 0.504 140 L N 0.811 121.910 121.223 -0.207 0.000 2.376 140 L HA 0.017 4.357 4.340 -0.000 0.000 0.219 140 L C 2.722 179.484 176.870 -0.181 0.000 1.133 140 L CA 1.044 55.756 54.840 -0.213 0.000 0.816 140 L CB -0.505 41.372 42.059 -0.303 0.000 0.933 140 L HN 0.402 nan 8.230 nan 0.000 0.449 141 E N 0.451 120.585 120.200 -0.110 0.000 2.047 141 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 141 E C 2.371 179.007 176.600 0.060 0.000 0.987 141 E CA 1.039 57.446 56.400 0.011 0.000 0.799 141 E CB -0.187 29.493 29.700 -0.034 0.000 0.752 141 E HN 0.475 nan 8.360 nan 0.000 0.449 142 A N 1.944 124.773 122.820 0.016 0.000 1.893 142 A HA -0.252 4.068 4.320 -0.000 0.000 0.222 142 A C -0.242 177.346 177.584 0.007 0.000 1.309 142 A CA 2.462 54.511 52.037 0.020 0.000 0.681 142 A CB -1.959 17.052 19.000 0.017 0.000 0.842 142 A HN 0.184 nan 8.150 nan 0.000 0.468 143 P HA -0.113 nan 4.420 nan 0.000 0.215 143 P C 1.590 178.860 177.300 -0.051 0.000 1.157 143 P CA 1.714 64.806 63.100 -0.013 0.000 0.874 143 P CB -0.163 31.542 31.700 0.009 0.000 0.790 144 V N -0.993 118.858 119.914 -0.105 0.000 2.453 144 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 144 V C 2.292 178.241 176.094 -0.241 0.000 1.048 144 V CA 2.253 64.416 62.300 -0.228 0.000 1.049 144 V CB -1.784 29.783 31.823 -0.427 0.000 0.672 144 V HN 0.173 nan 8.190 nan 0.000 0.457 145 T N -0.420 114.089 114.554 -0.074 0.000 2.788 145 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 145 T C 1.868 176.552 174.700 -0.026 0.000 1.044 145 T CA 1.841 63.957 62.100 0.027 0.000 1.139 145 T CB -0.149 68.787 68.868 0.113 0.000 0.867 145 T HN 0.616 nan 8.240 nan 0.000 0.454 146 E N 0.564 120.744 120.200 -0.034 0.000 2.077 146 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 146 E C 2.371 178.936 176.600 -0.059 0.000 0.989 146 E CA 1.131 57.510 56.400 -0.036 0.000 0.800 146 E CB -0.032 29.655 29.700 -0.021 0.000 0.746 146 E HN 0.337 nan 8.360 nan 0.000 0.452 147 S N 0.793 116.439 115.700 -0.090 0.000 2.359 147 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 147 S C 1.972 176.486 174.600 -0.144 0.000 1.035 147 S CA 0.979 59.106 58.200 -0.121 0.000 1.018 147 S CB -0.239 62.862 63.200 -0.165 0.000 0.876 147 S HN 0.275 nan 8.310 nan 0.000 0.448 148 L N 0.977 122.103 121.223 -0.162 0.000 2.017 148 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 148 L C 2.298 179.126 176.870 -0.071 0.000 1.073 148 L CA 1.120 55.873 54.840 -0.145 0.000 0.745 148 L CB -0.638 41.353 42.059 -0.113 0.000 0.894 148 L HN 0.301 nan 8.230 nan 0.000 0.432 149 L N -0.371 120.838 121.223 -0.022 0.000 2.083 149 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 149 L C 2.697 179.606 176.870 0.064 0.000 1.083 149 L CA 1.080 55.958 54.840 0.063 0.000 0.752 149 L CB -0.498 41.564 42.059 0.005 0.000 0.899 149 L HN 0.259 nan 8.230 nan 0.000 0.433 150 K N 0.133 120.528 120.400 -0.008 0.000 2.211 150 K HA -0.041 4.279 4.320 -0.000 0.000 0.203 150 K C 1.988 178.571 176.600 -0.029 0.000 1.050 150 K CA 1.279 57.562 56.287 -0.008 0.000 0.945 150 K CB -0.188 32.295 32.500 -0.029 0.000 0.732 150 K HN 0.262 nan 8.250 nan 0.000 0.451 151 A N 0.609 123.385 122.820 -0.073 0.000 2.081 151 A HA 0.087 4.407 4.320 -0.000 0.000 0.214 151 A C 2.054 179.560 177.584 -0.131 0.000 1.158 151 A CA 0.432 52.409 52.037 -0.100 0.000 0.724 151 A CB -0.158 18.761 19.000 -0.136 0.000 0.826 151 A HN 0.118 nan 8.150 nan 0.000 0.463 152 I N -2.298 118.162 120.570 -0.183 0.000 2.556 152 I HA 0.038 4.207 4.170 -0.000 0.000 0.251 152 I C 0.110 175.862 176.117 -0.608 0.000 1.105 152 I CA 0.685 61.751 61.300 -0.390 0.000 1.436 152 I CB 0.102 37.804 38.000 -0.497 0.000 1.139 152 I HN 0.219 nan 8.210 nan 0.000 0.438 153 F N 1.512 121.300 119.950 -0.271 0.000 2.578 153 F HA 0.262 4.788 4.527 -0.000 0.000 0.314 153 F C 1.377 177.173 175.800 -0.007 0.000 1.225 153 F CA -0.214 57.516 58.000 -0.450 0.000 1.215 153 F CB -0.609 37.868 39.000 -0.871 0.000 1.448 153 F HN 0.022 nan 8.300 nan 0.000 0.548 154 N N 0.483 119.268 118.700 0.141 0.000 2.270 154 N HA -0.151 4.588 4.740 -0.000 0.000 0.181 154 N C 0.310 175.922 175.510 0.171 0.000 1.016 154 N CA 0.425 53.551 53.050 0.126 0.000 0.870 154 N CB 0.112 38.622 38.487 0.039 0.000 0.979 154 N HN 0.269 nan 8.380 nan 0.000 0.431 155 D N 1.813 122.366 120.400 0.255 0.000 2.346 155 D HA -0.026 4.614 4.640 -0.000 0.000 0.267 155 D C 0.510 176.834 176.300 0.040 0.000 1.320 155 D CA 0.294 54.354 54.000 0.099 0.000 0.951 155 D CB 0.496 41.303 40.800 0.012 0.000 1.079 155 D HN 0.248 nan 8.370 nan 0.000 0.509 156 E N 2.263 122.472 120.200 0.016 0.000 2.409 156 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 156 E C 0.895 177.448 176.600 -0.079 0.000 1.024 156 E CA 0.530 56.922 56.400 -0.014 0.000 0.861 156 E CB 0.329 30.026 29.700 -0.005 0.000 0.788 156 E HN 0.492 nan 8.360 nan 0.000 0.521 157 E N 0.254 120.387 120.200 -0.110 0.000 2.371 157 E HA -0.038 4.312 4.350 -0.000 0.000 0.194 157 E C 1.453 177.926 176.600 -0.211 0.000 1.012 157 E CA 0.598 56.923 56.400 -0.125 0.000 0.860 157 E CB 0.381 30.021 29.700 -0.101 0.000 0.811 157 E HN 0.009 nan 8.360 nan 0.000 0.502 158 K N -0.879 119.296 120.400 -0.374 0.000 2.387 158 K HA 0.184 4.504 4.320 -0.000 0.000 0.197 158 K C -0.132 176.027 176.600 -0.736 0.000 1.127 158 K CA 0.323 56.217 56.287 -0.656 0.000 0.950 158 K CB 0.816 32.678 32.500 -1.063 0.000 1.017 158 K HN 0.021 nan 8.250 nan 0.000 0.519 159 F N 0.735 120.641 119.950 -0.075 0.000 2.532 159 F HA 0.345 4.872 4.527 -0.000 0.000 0.321 159 F C -0.052 175.606 175.800 -0.236 0.000 1.089 159 F CA -1.115 56.798 58.000 -0.145 0.000 0.926 159 F CB 2.195 41.176 39.000 -0.033 0.000 1.168 159 F HN -0.362 nan 8.300 nan 0.000 0.459 160 S N 2.014 117.579 115.700 -0.225 0.000 2.733 160 S HA 0.466 4.936 4.470 -0.000 0.000 0.307 160 S C -0.765 173.503 174.600 -0.554 0.000 1.127 160 S CA -0.652 57.304 58.200 -0.407 0.000 1.097 160 S CB 1.362 64.159 63.200 -0.671 0.000 1.003 160 S HN 0.318 nan 8.310 nan 0.000 0.477 161 V N 5.591 125.282 119.914 -0.372 0.000 2.383 161 V HA 0.366 4.486 4.120 -0.000 0.000 0.275 161 V C -0.217 175.690 176.094 -0.312 0.000 1.036 161 V CA -0.531 61.565 62.300 -0.339 0.000 0.889 161 V CB 0.541 32.273 31.823 -0.153 0.000 0.985 161 V HN 0.753 nan 8.190 nan 0.000 0.459 162 H N 1.964 121.042 119.070 0.013 0.000 2.472 162 H HA 0.478 5.034 4.556 -0.000 0.000 0.338 162 H C 0.160 175.496 175.328 0.015 0.000 1.133 162 H CA -0.648 55.416 56.048 0.028 0.000 1.216 162 H CB 1.757 31.552 29.762 0.054 0.000 1.497 162 H HN 0.565 nan 8.280 nan 0.000 0.500 163 S N 0.778 116.562 115.700 0.140 0.000 2.584 163 S HA 0.325 4.795 4.470 -0.000 0.000 0.270 163 S C 0.661 175.307 174.600 0.076 0.000 1.346 163 S CA -0.548 57.699 58.200 0.078 0.000 1.018 163 S CB 0.701 63.937 63.200 0.060 0.000 0.899 163 S HN 0.780 nan 8.310 nan 0.000 0.542 164 A N 1.983 124.835 122.820 0.054 0.000 2.466 164 A HA 0.352 4.672 4.320 -0.000 0.000 0.238 164 A C 0.336 177.948 177.584 0.047 0.000 1.074 164 A CA -0.322 51.746 52.037 0.051 0.000 0.774 164 A CB -0.215 18.810 19.000 0.042 0.000 1.015 164 A HN 0.770 nan 8.150 nan 0.000 0.498 165 L N 1.375 122.626 121.223 0.046 0.000 2.476 165 L HA 0.175 4.515 4.340 -0.000 0.000 0.264 165 L C -1.826 175.066 176.870 0.036 0.000 1.224 165 L CA -1.487 53.375 54.840 0.037 0.000 0.821 165 L CB -0.145 41.937 42.059 0.037 0.000 1.101 165 L HN 0.466 nan 8.230 nan 0.000 0.488 166 P HA -0.085 nan 4.420 nan 0.000 0.264 166 P C -0.955 176.369 177.300 0.040 0.000 1.179 166 P CA 0.155 63.274 63.100 0.031 0.000 0.763 166 P CB 0.260 31.974 31.700 0.023 0.000 0.806 167 Q N 2.040 121.868 119.800 0.046 0.000 2.837 167 Q HA 0.238 4.578 4.340 -0.000 0.000 0.235 167 Q C -0.194 175.841 176.000 0.058 0.000 1.348 167 Q CA 0.059 55.896 55.803 0.057 0.000 0.990 167 Q CB -0.127 28.652 28.738 0.067 0.000 1.570 167 Q HN 0.285 nan 8.270 nan 0.000 0.575 168 V N -2.981 116.964 119.914 0.052 0.000 3.049 168 V HA 0.670 4.790 4.120 -0.000 0.000 0.309 168 V C 0.773 176.897 176.094 0.049 0.000 1.148 168 V CA -0.578 61.751 62.300 0.049 0.000 0.990 168 V CB 1.494 33.339 31.823 0.036 0.000 1.039 168 V HN 0.330 nan 8.190 nan 0.000 0.430 169 A N 1.865 124.715 122.820 0.050 0.000 2.024 169 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 169 A C 1.739 179.349 177.584 0.042 0.000 1.164 169 A CA 2.235 54.303 52.037 0.051 0.000 0.643 169 A CB -0.631 18.399 19.000 0.051 0.000 0.806 169 A HN 1.371 nan 8.150 nan 0.000 0.451 170 L N -0.986 120.256 121.223 0.031 0.000 2.191 170 L HA 0.045 4.384 4.340 -0.000 0.000 0.212 170 L C 1.165 178.044 176.870 0.014 0.000 1.103 170 L CA 1.608 56.458 54.840 0.017 0.000 0.769 170 L CB -0.203 41.860 42.059 0.006 0.000 0.908 170 L HN 0.356 nan 8.230 nan 0.000 0.438 171 L N -0.039 121.199 121.223 0.026 0.000 3.154 171 L HA 0.395 4.735 4.340 -0.000 0.000 0.266 171 L C 0.802 177.703 176.870 0.052 0.000 1.300 171 L CA -0.389 54.469 54.840 0.029 0.000 1.028 171 L CB -0.128 41.944 42.059 0.021 0.000 1.412 171 L HN 0.162 nan 8.230 nan 0.000 0.564 172 G N 0.141 108.978 108.800 0.063 0.000 2.254 172 G HA2 0.158 4.118 3.960 -0.000 0.000 0.253 172 G HA3 0.158 4.118 3.960 -0.000 0.000 0.253 172 G C -0.857 174.105 174.900 0.104 0.000 1.246 172 G CA 0.208 45.357 45.100 0.081 0.000 0.946 172 G HN 0.216 nan 8.290 nan 0.000 0.474 173 D N 1.142 121.605 120.400 0.105 0.000 2.696 173 D HA 0.286 4.926 4.640 -0.000 0.000 0.251 173 D C 0.448 176.823 176.300 0.125 0.000 1.188 173 D CA -0.631 53.445 54.000 0.126 0.000 0.876 173 D CB 1.452 42.317 40.800 0.107 0.000 1.334 173 D HN 0.257 nan 8.370 nan 0.000 0.540 174 E N 2.261 122.556 120.200 0.158 0.000 2.548 174 E HA 0.310 4.660 4.350 -0.000 0.000 0.206 174 E C 1.120 177.752 176.600 0.053 0.000 1.005 174 E CA 0.010 56.493 56.400 0.139 0.000 0.951 174 E CB 0.620 30.505 29.700 0.308 0.000 1.035 174 E HN 0.788 nan 8.360 nan 0.000 0.470 175 G N 1.864 110.710 108.800 0.075 0.000 2.552 175 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.265 175 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.265 175 G C 1.096 176.003 174.900 0.012 0.000 1.234 175 G CA 0.550 45.670 45.100 0.033 0.000 0.944 175 G HN 0.354 nan 8.290 nan 0.000 0.568 176 A N -0.642 122.164 122.820 -0.023 0.000 2.032 176 A HA 0.188 4.508 4.320 -0.000 0.000 0.221 176 A C 3.015 180.619 177.584 0.035 0.000 1.165 176 A CA 3.512 55.550 52.037 0.001 0.000 0.645 176 A CB -1.036 17.964 19.000 0.001 0.000 0.807 176 A HN 2.439 nan 8.150 nan 0.000 0.453 177 A N -0.389 122.421 122.820 -0.017 0.000 2.084 177 A HA -0.170 4.150 4.320 -0.000 0.000 0.221 177 A C 1.581 179.195 177.584 0.050 0.000 1.161 177 A CA 1.682 53.694 52.037 -0.041 0.000 0.653 177 A CB -0.368 18.453 19.000 -0.299 0.000 0.802 177 A HN 0.546 nan 8.150 nan 0.000 0.457 178 N N -1.373 117.383 118.700 0.092 0.000 2.204 178 N HA 0.078 4.818 4.740 -0.000 0.000 0.219 178 N C -0.264 175.309 175.510 0.105 0.000 1.151 178 N CA -0.022 53.115 53.050 0.145 0.000 0.867 178 N CB 0.133 38.754 38.487 0.223 0.000 1.043 178 N HN 0.696 nan 8.380 nan 0.000 0.516 179 H N 0.739 119.749 119.070 -0.101 0.000 2.595 179 H HA 0.414 4.970 4.556 -0.000 0.000 0.346 179 H C -0.728 174.508 175.328 -0.154 0.000 1.181 179 H CA -0.189 55.695 56.048 -0.273 0.000 1.242 179 H CB 1.298 30.845 29.762 -0.359 0.000 1.652 179 H HN 0.008 nan 8.280 nan 0.000 0.548 180 N N 1.808 120.080 118.700 -0.714 0.000 2.484 180 N HA 0.186 4.926 4.740 -0.000 0.000 0.269 180 N C -1.414 173.796 175.510 -0.499 0.000 1.237 180 N CA -0.685 52.130 53.050 -0.391 0.000 0.838 180 N CB 3.048 41.421 38.487 -0.190 0.000 1.593 180 N HN 0.540 nan 8.380 nan 0.000 0.485 181 R N 1.743 122.127 120.500 -0.193 0.000 2.510 181 R HA 0.502 4.842 4.340 -0.000 0.000 0.294 181 R C -1.640 174.673 176.300 0.021 0.000 1.056 181 R CA -0.390 55.653 56.100 -0.095 0.000 0.918 181 R CB 0.944 31.243 30.300 -0.001 0.000 1.187 181 R HN 0.512 nan 8.270 nan 0.000 0.437 182 L N 3.619 124.853 121.223 0.019 0.000 2.334 182 L HA 0.899 5.239 4.340 -0.000 0.000 0.273 182 L C 0.386 177.297 176.870 0.068 0.000 1.013 182 L CA -0.562 54.322 54.840 0.073 0.000 0.816 182 L CB 2.297 44.415 42.059 0.098 0.000 1.278 182 L HN 0.938 nan 8.230 nan 0.000 0.431 183 G N 0.536 109.380 108.800 0.074 0.000 2.317 183 G HA2 0.380 4.340 3.960 -0.000 0.000 0.293 183 G HA3 0.380 4.340 3.960 -0.000 0.000 0.293 183 G C -0.285 174.623 174.900 0.013 0.000 1.287 183 G CA -0.142 44.992 45.100 0.056 0.000 0.850 183 G HN 0.795 nan 8.290 nan 0.000 0.515 184 G N -0.983 107.827 108.800 0.017 0.000 2.948 184 G HA2 0.397 4.357 3.960 -0.000 0.000 0.174 184 G HA3 0.397 4.357 3.960 -0.000 0.000 0.174 184 G C 0.191 175.004 174.900 -0.146 0.000 1.839 184 G CA 0.276 45.349 45.100 -0.046 0.000 0.908 184 G HN 0.788 nan 8.290 nan 0.000 0.419 185 H N -1.068 117.985 119.070 -0.029 0.000 2.629 185 H HA 0.274 4.829 4.556 -0.000 0.000 0.357 185 H C 1.038 176.393 175.328 0.046 0.000 1.121 185 H CA 0.037 56.059 56.048 -0.044 0.000 1.406 185 H CB 0.754 30.535 29.762 0.031 0.000 1.456 185 H HN 0.426 nan 8.280 nan 0.000 0.579 186 Y N 1.182 121.611 120.300 0.215 0.000 2.139 186 Y HA -0.270 4.280 4.550 0.000 0.000 0.282 186 Y C 2.594 178.594 175.900 0.168 0.000 1.179 186 Y CA 0.842 59.050 58.100 0.180 0.000 1.161 186 Y CB -0.204 38.382 38.460 0.210 0.000 0.970 186 Y HN 0.845 nan 8.280 nan 0.000 0.511 187 G N -0.311 108.696 108.800 0.345 0.000 2.598 187 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.215 187 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.215 187 G C 0.199 175.194 174.900 0.159 0.000 1.131 187 G CA 0.103 45.331 45.100 0.214 0.000 0.785 187 G HN 0.347 nan 8.290 nan 0.000 0.539 188 E N 1.009 121.312 120.200 0.172 0.000 2.318 188 E HA 0.255 4.605 4.350 -0.000 0.000 0.265 188 E C -2.303 174.368 176.600 0.118 0.000 1.069 188 E CA -2.182 54.294 56.400 0.127 0.000 0.893 188 E CB 0.896 30.674 29.700 0.132 0.000 1.076 188 E HN 0.011 nan 8.360 nan 0.000 0.414 189 P HA -0.028 nan 4.420 nan 0.000 0.263 189 P C -0.442 176.907 177.300 0.082 0.000 1.195 189 P CA 0.224 63.373 63.100 0.082 0.000 0.762 189 P CB 0.679 32.416 31.700 0.062 0.000 0.799 193 L N 2.888 123.923 121.223 -0.313 0.000 2.316 193 L HA 0.605 4.945 4.340 -0.000 0.000 0.280 193 L C -1.808 174.926 176.870 -0.226 0.000 1.006 193 L CA -0.080 54.631 54.840 -0.214 0.000 0.836 193 L CB 0.626 42.558 42.059 -0.211 0.000 1.221 193 L HN 0.445 nan 8.230 nan 0.000 0.418 194 F N 4.878 124.729 119.950 -0.165 0.000 2.405 194 F HA 0.528 5.054 4.527 -0.000 0.000 0.355 194 F C 0.121 176.020 175.800 0.165 0.000 1.121 194 F CA -0.489 57.545 58.000 0.057 0.000 1.112 194 F CB 1.606 40.645 39.000 0.066 0.000 1.126 194 F HN 0.125 nan 8.300 nan 0.000 0.481 195 V N 5.220 125.319 119.914 0.309 0.000 2.435 195 V HA 0.415 4.535 4.120 -0.000 0.000 0.290 195 V C -0.623 175.658 176.094 0.311 0.000 1.030 195 V CA -0.880 61.562 62.300 0.237 0.000 0.881 195 V CB 0.927 32.872 31.823 0.204 0.000 0.983 195 V HN 0.623 nan 8.190 nan 0.000 0.445 196 Y N 1.561 122.007 120.300 0.242 0.000 2.602 196 Y HA 0.867 5.416 4.550 -0.000 0.000 0.342 196 Y C 0.888 176.876 175.900 0.147 0.000 1.029 196 Y CA -0.751 57.469 58.100 0.201 0.000 1.080 196 Y CB 1.772 40.352 38.460 0.201 0.000 1.284 196 Y HN 0.493 nan 8.280 nan 0.000 0.485 197 G N 0.366 109.351 108.800 0.309 0.000 2.762 197 G HA2 0.263 4.223 3.960 -0.000 0.000 0.209 197 G HA3 0.263 4.223 3.960 -0.000 0.000 0.209 197 G C -0.046 175.000 174.900 0.244 0.000 1.134 197 G CA -0.185 45.023 45.100 0.180 0.000 0.781 197 G HN 0.776 nan 8.290 nan 0.000 0.528 198 R N -0.674 120.039 120.500 0.355 0.000 2.734 198 R HA 0.718 5.058 4.340 -0.000 0.000 0.271 198 R C -1.909 174.494 176.300 0.171 0.000 1.021 198 R CA -0.873 55.378 56.100 0.253 0.000 0.893 198 R CB 1.463 31.845 30.300 0.136 0.000 1.244 198 R HN 0.053 nan 8.270 nan 0.000 0.464 199 E N 1.156 121.403 120.200 0.079 0.000 2.366 199 E HA 0.169 4.519 4.350 -0.000 0.000 0.278 199 E C -1.078 175.509 176.600 -0.022 0.000 0.923 199 E CA -0.769 55.596 56.400 -0.057 0.000 0.761 199 E CB 2.075 31.686 29.700 -0.147 0.000 1.231 199 E HN 0.548 nan 8.360 nan 0.000 0.443 200 E N 1.067 121.238 120.200 -0.048 0.000 2.384 200 E HA 0.218 4.568 4.350 -0.000 0.000 0.266 200 E C 0.796 177.382 176.600 -0.023 0.000 1.012 200 E CA 1.379 57.762 56.400 -0.028 0.000 0.901 200 E CB 1.126 30.804 29.700 -0.038 0.000 0.967 200 E HN 0.877 nan 8.360 nan 0.000 0.435 201 G N 3.588 112.383 108.800 -0.008 0.000 2.284 201 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.247 201 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.247 201 G C 0.509 175.413 174.900 0.008 0.000 1.012 201 G CA 0.240 45.337 45.100 -0.005 0.000 0.618 201 G HN 0.513 nan 8.290 nan 0.000 0.521 202 N N 1.853 120.564 118.700 0.018 0.000 2.415 202 N HA 0.355 5.095 4.740 -0.000 0.000 0.246 202 N C 1.125 176.659 175.510 0.040 0.000 1.078 202 N CA 0.461 53.534 53.050 0.038 0.000 0.942 202 N CB 0.931 39.459 38.487 0.069 0.000 1.140 202 N HN 0.439 nan 8.380 nan 0.000 0.501 203 D N 0.756 121.174 120.400 0.031 0.000 2.350 203 D HA -0.071 4.569 4.640 -0.000 0.000 0.216 203 D C 0.061 176.379 176.300 0.031 0.000 0.968 203 D CA 0.736 54.752 54.000 0.026 0.000 0.894 203 D CB -0.134 40.677 40.800 0.018 0.000 0.909 203 D HN 0.226 nan 8.370 nan 0.000 0.520 204 T N 1.416 115.995 114.554 0.041 0.000 2.739 204 T HA 0.366 4.716 4.350 -0.000 0.000 0.298 204 T C -0.097 174.637 174.700 0.056 0.000 0.929 204 T CA -0.584 61.541 62.100 0.042 0.000 1.014 204 T CB 0.139 69.033 68.868 0.043 0.000 0.914 204 T HN 0.290 nan 8.240 nan 0.000 0.509 205 R N 2.700 123.226 120.500 0.042 0.000 2.709 205 R HA 0.445 4.785 4.340 -0.000 0.000 0.270 205 R C -3.496 172.823 176.300 0.032 0.000 1.038 205 R CA -2.098 54.033 56.100 0.051 0.000 0.872 205 R CB -0.183 30.156 30.300 0.064 0.000 1.259 205 R HN 0.214 nan 8.270 nan 0.000 0.473 206 P HA -0.026 nan 4.420 nan 0.000 0.266 206 P C 0.228 177.536 177.300 0.013 0.000 1.193 206 P CA 0.160 63.276 63.100 0.026 0.000 0.770 206 P CB 0.592 32.327 31.700 0.059 0.000 0.836 207 S N 0.591 116.280 115.700 -0.019 0.000 2.666 207 S HA 0.213 4.683 4.470 -0.000 0.000 0.239 207 S C 1.225 175.782 174.600 -0.071 0.000 1.031 207 S CA -0.287 57.894 58.200 -0.032 0.000 1.015 207 S CB 0.165 63.344 63.200 -0.035 0.000 0.981 207 S HN 0.325 nan 8.310 nan 0.000 0.547 208 R N 0.691 121.117 120.500 -0.123 0.000 2.470 208 R HA 0.417 4.757 4.340 -0.000 0.000 0.210 208 R C -1.003 175.147 176.300 -0.250 0.000 0.873 208 R CA 0.148 56.085 56.100 -0.271 0.000 1.015 208 R CB 0.151 30.159 30.300 -0.486 0.000 1.348 208 R HN 0.478 nan 8.270 nan 0.000 0.650 209 Y N 1.797 122.104 120.300 0.011 0.000 2.426 209 Y HA 0.479 5.029 4.550 -0.000 0.000 0.325 209 Y C -2.128 173.785 175.900 0.022 0.000 0.989 209 Y CA -2.985 55.127 58.100 0.021 0.000 1.284 209 Y CB 1.819 40.296 38.460 0.028 0.000 1.104 209 Y HN -0.014 nan 8.280 nan 0.000 0.481 210 P HA -0.110 nan 4.420 nan 0.000 0.264 210 P C -0.512 176.849 177.300 0.102 0.000 1.173 210 P CA 0.285 63.453 63.100 0.113 0.000 0.761 210 P CB 0.690 32.447 31.700 0.094 0.000 0.794 211 A N 3.995 126.870 122.820 0.091 0.000 2.404 211 A HA 0.112 4.432 4.320 -0.000 0.000 0.273 211 A C 1.284 178.920 177.584 0.086 0.000 1.144 211 A CA -0.233 51.859 52.037 0.091 0.000 0.806 211 A CB -0.040 19.026 19.000 0.110 0.000 1.080 211 A HN 0.521 nan 8.150 nan 0.000 0.509 212 R N 0.780 121.321 120.500 0.068 0.000 2.153 212 R HA -0.039 4.301 4.340 -0.000 0.000 0.218 212 R C 0.379 176.752 176.300 0.121 0.000 1.072 212 R CA 0.776 56.919 56.100 0.071 0.000 0.990 212 R CB 0.078 30.392 30.300 0.022 0.000 0.889 212 R HN 0.775 nan 8.270 nan 0.000 0.452 213 Q N 1.501 121.396 119.800 0.159 0.000 2.307 213 Q HA 0.127 4.467 4.340 -0.000 0.000 0.262 213 Q C -0.966 175.162 176.000 0.214 0.000 0.961 213 Q CA -0.355 55.572 55.803 0.206 0.000 0.882 213 Q CB 1.646 30.545 28.738 0.269 0.000 1.264 213 Q HN 0.100 nan 8.270 nan 0.000 0.446 214 T N 0.220 114.871 114.554 0.162 0.000 2.918 214 T HA 0.409 4.759 4.350 -0.000 0.000 0.286 214 T C 0.716 175.422 174.700 0.010 0.000 1.026 214 T CA -0.825 61.330 62.100 0.091 0.000 1.031 214 T CB 1.566 70.453 68.868 0.031 0.000 1.046 214 T HN 0.786 nan 8.240 nan 0.000 0.479 215 R N 0.569 120.908 120.500 -0.269 0.000 2.096 215 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 215 R C 1.697 177.808 176.300 -0.315 0.000 1.127 215 R CA 1.702 57.464 56.100 -0.562 0.000 0.968 215 R CB -0.330 29.269 30.300 -1.168 0.000 0.861 215 R HN 0.786 nan 8.270 nan 0.000 0.440 216 E N 0.464 120.526 120.200 -0.229 0.000 2.085 216 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 216 E C 1.826 178.363 176.600 -0.106 0.000 0.994 216 E CA 1.708 58.006 56.400 -0.170 0.000 0.801 216 E CB -0.276 29.357 29.700 -0.112 0.000 0.743 216 E HN 0.504 nan 8.360 nan 0.000 0.453 217 A N 0.341 123.138 122.820 -0.037 0.000 1.873 217 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 217 A C 2.349 179.966 177.584 0.054 0.000 1.186 217 A CA 1.697 53.748 52.037 0.023 0.000 0.616 217 A CB -0.673 18.371 19.000 0.073 0.000 0.823 217 A HN 0.205 nan 8.150 nan 0.000 0.442 218 S N 0.102 115.868 115.700 0.110 0.000 2.359 218 S HA -0.199 4.271 4.470 -0.000 0.000 0.224 218 S C 1.810 176.412 174.600 0.003 0.000 1.035 218 S CA 1.648 59.977 58.200 0.215 0.000 1.018 218 S CB -0.393 63.086 63.200 0.465 0.000 0.876 218 S HN 0.695 nan 8.310 nan 0.000 0.448 219 E N 1.179 121.302 120.200 -0.128 0.000 2.150 219 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 219 E C 2.329 178.840 176.600 -0.148 0.000 0.985 219 E CA 0.924 57.163 56.400 -0.269 0.000 0.814 219 E CB -0.232 29.145 29.700 -0.537 0.000 0.752 219 E HN 0.534 nan 8.360 nan 0.000 0.466 220 A N 1.251 124.008 122.820 -0.105 0.000 1.897 220 A HA -0.104 4.215 4.320 -0.000 0.000 0.215 220 A C 2.418 179.975 177.584 -0.045 0.000 1.181 220 A CA 1.117 53.112 52.037 -0.071 0.000 0.620 220 A CB -0.668 18.304 19.000 -0.046 0.000 0.821 220 A HN 0.210 nan 8.150 nan 0.000 0.443 221 V N -0.140 119.770 119.914 -0.008 0.000 2.427 221 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 221 V C 2.640 178.742 176.094 0.013 0.000 1.051 221 V CA 2.248 64.578 62.300 0.051 0.000 1.048 221 V CB -0.777 31.151 31.823 0.176 0.000 0.666 221 V HN 0.578 nan 8.190 nan 0.000 0.456 222 A N 0.389 123.128 122.820 -0.134 0.000 1.908 222 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 222 A C 2.320 179.872 177.584 -0.055 0.000 1.181 222 A CA 2.056 54.004 52.037 -0.149 0.000 0.627 222 A CB -0.600 18.252 19.000 -0.247 0.000 0.818 222 A HN 0.630 nan 8.150 nan 0.000 0.445 223 R N -0.706 119.753 120.500 -0.069 0.000 2.066 223 R HA -0.006 4.334 4.340 -0.000 0.000 0.232 223 R C 2.122 178.352 176.300 -0.116 0.000 1.131 223 R CA 1.403 57.455 56.100 -0.080 0.000 0.955 223 R CB -0.600 29.650 30.300 -0.083 0.000 0.851 223 R HN 0.494 nan 8.270 nan 0.000 0.432 224 L N 1.026 122.176 121.223 -0.122 0.000 2.079 224 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 224 L C 1.363 178.114 176.870 -0.198 0.000 1.081 224 L CA 1.085 55.785 54.840 -0.234 0.000 0.752 224 L CB -0.406 41.557 42.059 -0.161 0.000 0.896 224 L HN 0.170 nan 8.230 nan 0.000 0.433 225 N N 0.035 118.714 118.700 -0.036 0.000 2.449 225 N HA -0.060 4.679 4.740 -0.000 0.000 0.191 225 N C -0.064 175.267 175.510 -0.300 0.000 1.161 225 N CA 0.168 53.200 53.050 -0.031 0.000 0.863 225 N CB 0.059 38.610 38.487 0.107 0.000 0.980 225 N HN 0.170 nan 8.380 nan 0.000 0.458 226 Q N -1.170 118.460 119.800 -0.283 0.000 2.453 226 Q HA -0.158 4.182 4.340 -0.000 0.000 0.294 226 Q C -0.728 175.204 176.000 -0.114 0.000 1.295 226 Q CA 0.473 56.133 55.803 -0.238 0.000 0.853 226 Q CB -2.420 26.085 28.738 -0.390 0.000 1.193 226 Q HN 0.138 nan 8.270 nan 0.000 0.461 227 V N 1.443 121.331 119.914 -0.043 0.000 2.555 227 V HA 0.122 4.241 4.120 -0.000 0.000 0.286 227 V C 1.167 177.274 176.094 0.021 0.000 1.044 227 V CA -0.557 61.758 62.300 0.025 0.000 1.026 227 V CB 1.333 33.210 31.823 0.091 0.000 0.981 227 V HN 0.321 nan 8.190 nan 0.000 0.480 228 N N 6.273 124.991 118.700 0.030 0.000 2.411 228 N HA 0.017 4.757 4.740 -0.000 0.000 0.265 228 N C -1.628 173.901 175.510 0.031 0.000 1.266 228 N CA -1.007 52.058 53.050 0.026 0.000 0.889 228 N CB 1.550 40.056 38.487 0.031 0.000 1.069 228 N HN 0.333 nan 8.380 nan 0.000 0.476 229 P HA -0.137 nan 4.420 nan 0.000 0.217 229 P C 0.523 177.846 177.300 0.038 0.000 1.148 229 P CA 1.428 64.552 63.100 0.039 0.000 0.834 229 P CB 0.330 32.047 31.700 0.029 0.000 0.783 230 Q N -1.339 118.477 119.800 0.027 0.000 2.451 230 Q HA 0.010 4.350 4.340 -0.000 0.000 0.206 230 Q C 1.193 177.201 176.000 0.014 0.000 0.947 230 Q CA 0.800 56.615 55.803 0.020 0.000 0.937 230 Q CB -0.239 28.509 28.738 0.015 0.000 1.025 230 Q HN 0.432 nan 8.270 nan 0.000 0.511 231 Q N -0.274 119.539 119.800 0.021 0.000 2.201 231 Q HA 0.267 4.606 4.340 -0.000 0.000 0.236 231 Q C -0.883 175.127 176.000 0.016 0.000 0.857 231 Q CA -0.131 55.684 55.803 0.020 0.000 1.025 231 Q CB 1.186 29.947 28.738 0.039 0.000 1.124 231 Q HN 0.004 nan 8.270 nan 0.000 0.473 232 V N 1.043 120.953 119.914 -0.007 0.000 2.841 232 V HA 0.552 4.672 4.120 -0.000 0.000 0.310 232 V C -0.622 175.390 176.094 -0.136 0.000 1.090 232 V CA -0.717 61.540 62.300 -0.070 0.000 0.930 232 V CB 2.513 34.270 31.823 -0.111 0.000 1.014 232 V HN 0.172 nan 8.190 nan 0.000 0.425 233 I N 3.551 123.978 120.570 -0.237 0.000 2.569 233 I HA 0.508 4.677 4.170 -0.000 0.000 0.290 233 I C -1.512 174.448 176.117 -0.261 0.000 1.088 233 I CA -0.272 60.931 61.300 -0.162 0.000 1.047 233 I CB 2.322 40.257 38.000 -0.107 0.000 1.237 233 I HN 0.425 nan 8.210 nan 0.000 0.421 234 F N 4.693 124.729 119.950 0.143 0.000 2.411 234 F HA 0.749 5.276 4.527 -0.000 0.000 0.352 234 F C 0.432 176.370 175.800 0.229 0.000 1.123 234 F CA -0.540 57.616 58.000 0.260 0.000 1.044 234 F CB 1.747 40.899 39.000 0.253 0.000 1.135 234 F HN 0.396 nan 8.300 nan 0.000 0.461 235 A N 3.383 126.358 122.820 0.259 0.000 2.386 235 A HA 0.621 4.940 4.320 -0.000 0.000 0.311 235 A C -0.978 176.394 177.584 -0.353 0.000 1.068 235 A CA -0.791 51.251 52.037 0.009 0.000 0.743 235 A CB 1.549 20.485 19.000 -0.107 0.000 1.258 235 A HN 0.728 nan 8.150 nan 0.000 0.429 236 Q N 1.330 120.833 119.800 -0.496 0.000 2.243 236 Q HA 0.425 4.765 4.340 -0.000 0.000 0.252 236 Q C -0.152 175.710 176.000 -0.231 0.000 0.909 236 Q CA -0.478 54.851 55.803 -0.791 0.000 0.922 236 Q CB 0.869 29.315 28.738 -0.486 0.000 1.215 236 Q HN 0.739 nan 8.270 nan 0.000 0.427 237 Q N 2.273 121.952 119.800 -0.202 0.000 2.394 237 Q HA 0.061 4.401 4.340 -0.000 0.000 0.248 237 Q C -0.763 175.175 176.000 -0.103 0.000 0.992 237 Q CA -0.010 55.728 55.803 -0.109 0.000 0.888 237 Q CB 0.675 29.352 28.738 -0.103 0.000 1.257 237 Q HN 0.655 nan 8.270 nan 0.000 0.462 238 N N 4.267 122.883 118.700 -0.139 0.000 2.438 238 N HA 0.054 4.793 4.740 -0.000 0.000 0.267 238 N C -1.953 173.504 175.510 -0.089 0.000 1.222 238 N CA -1.299 51.689 53.050 -0.104 0.000 0.930 238 N CB 0.848 39.250 38.487 -0.141 0.000 1.083 238 N HN 0.415 nan 8.380 nan 0.000 0.476 239 P HA -0.140 nan 4.420 nan 0.000 0.219 239 P C 0.038 177.313 177.300 -0.042 0.000 1.146 239 P CA 1.199 64.282 63.100 -0.029 0.000 0.808 239 P CB 0.379 32.075 31.700 -0.008 0.000 0.779 240 D N 0.068 120.433 120.400 -0.058 0.000 2.183 240 D HA -0.081 4.559 4.640 -0.000 0.000 0.203 240 D C 2.040 178.288 176.300 -0.086 0.000 0.969 240 D CA 1.276 55.237 54.000 -0.065 0.000 0.842 240 D CB -0.260 40.501 40.800 -0.064 0.000 0.957 240 D HN 0.203 nan 8.370 nan 0.000 0.484 241 V N -0.750 119.090 119.914 -0.122 0.000 2.591 241 V HA -0.079 4.041 4.120 -0.000 0.000 0.249 241 V C 2.409 178.433 176.094 -0.117 0.000 1.053 241 V CA 0.626 62.826 62.300 -0.167 0.000 1.068 241 V CB -0.689 30.973 31.823 -0.268 0.000 0.689 241 V HN 0.051 nan 8.190 nan 0.000 0.462 242 I N 0.916 121.442 120.570 -0.073 0.000 2.226 242 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 242 I C 2.225 178.412 176.117 0.116 0.000 1.100 242 I CA 1.915 63.214 61.300 -0.003 0.000 1.374 242 I CB -0.597 37.417 38.000 0.022 0.000 1.057 242 I HN 0.277 nan 8.210 nan 0.000 0.413 243 D N 0.599 121.035 120.400 0.060 0.000 2.378 243 D HA -0.144 4.495 4.640 -0.000 0.000 0.222 243 D C 1.803 178.143 176.300 0.067 0.000 0.980 243 D CA 0.917 54.932 54.000 0.025 0.000 0.907 243 D CB -0.059 40.685 40.800 -0.093 0.000 0.899 243 D HN 0.519 nan 8.370 nan 0.000 0.527 244 Q N -1.109 118.737 119.800 0.076 0.000 2.282 244 Q HA 0.279 4.619 4.340 -0.000 0.000 0.206 244 Q C 1.005 177.057 176.000 0.086 0.000 0.878 244 Q CA 0.300 56.138 55.803 0.058 0.000 0.944 244 Q CB 1.342 30.054 28.738 -0.043 0.000 1.100 244 Q HN 0.267 nan 8.270 nan 0.000 0.509 245 G N 0.125 108.988 108.800 0.105 0.000 2.227 245 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.168 245 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.168 245 G C 0.074 174.798 174.900 -0.294 0.000 1.006 245 G CA -0.454 44.605 45.100 -0.070 0.000 0.684 245 G HN 0.141 nan 8.290 nan 0.000 0.489 246 V N 3.802 123.565 119.914 -0.251 0.000 2.223 246 V HA 0.332 4.452 4.120 -0.000 0.000 0.249 246 V C 1.458 177.390 176.094 -0.270 0.000 1.233 246 V CA 0.329 62.409 62.300 -0.368 0.000 1.131 246 V CB -1.146 30.498 31.823 -0.298 0.000 1.298 246 V HN 0.465 nan 8.190 nan 0.000 0.498 247 F N 0.923 120.753 119.950 -0.200 0.000 2.780 247 F HA 0.341 4.867 4.527 -0.000 0.000 0.299 247 F C 0.730 176.244 175.800 -0.476 0.000 1.146 247 F CA -0.635 57.174 58.000 -0.319 0.000 1.428 247 F CB -0.974 37.787 39.000 -0.398 0.000 1.115 247 F HN 0.433 nan 8.300 nan 0.000 0.583 248 H N -1.488 117.673 119.070 0.152 0.000 3.012 248 H HA 0.229 4.785 4.556 -0.000 0.000 0.367 248 H C 0.393 175.699 175.328 -0.037 0.000 1.211 248 H CA -0.730 55.396 56.048 0.131 0.000 1.139 248 H CB 1.146 31.047 29.762 0.232 0.000 1.838 248 H HN -0.180 nan 8.280 nan 0.000 0.550 249 N N 0.851 119.632 118.700 0.134 0.000 2.205 249 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 249 N C 1.019 176.517 175.510 -0.020 0.000 1.015 249 N CA 1.657 54.713 53.050 0.011 0.000 0.862 249 N CB 0.071 38.606 38.487 0.079 0.000 0.986 249 N HN 0.704 nan 8.380 nan 0.000 0.429 250 D N -0.792 119.631 120.400 0.039 0.000 2.348 250 D HA -0.049 4.591 4.640 -0.000 0.000 0.248 250 D C 0.772 177.041 176.300 -0.052 0.000 1.142 250 D CA 0.195 54.212 54.000 0.028 0.000 0.904 250 D CB -0.141 40.694 40.800 0.058 0.000 0.901 250 D HN 0.172 nan 8.370 nan 0.000 0.523 251 V N -0.314 119.502 119.914 -0.163 0.000 3.556 251 V HA 0.197 4.317 4.120 -0.000 0.000 0.287 251 V C 1.185 177.136 176.094 -0.237 0.000 1.422 251 V CA 0.022 62.119 62.300 -0.339 0.000 1.038 251 V CB 0.448 31.920 31.823 -0.584 0.000 0.850 251 V HN 0.145 nan 8.190 nan 0.000 0.437 252 I N -0.248 120.157 120.570 -0.275 0.000 4.557 252 I HA 0.720 4.890 4.170 -0.000 0.000 0.333 252 I C 0.281 175.862 176.117 -0.892 0.000 1.332 252 I CA 0.353 61.301 61.300 -0.588 0.000 1.240 252 I CB 0.940 38.586 38.000 -0.590 0.000 1.312 252 I HN 0.105 nan 8.210 nan 0.000 0.457 253 A N -0.352 122.262 122.820 -0.344 0.000 2.599 253 A HA 0.763 5.083 4.320 -0.000 0.000 0.294 253 A C -1.910 175.762 177.584 0.147 0.000 1.055 253 A CA -0.312 51.642 52.037 -0.137 0.000 0.683 253 A CB 1.404 20.330 19.000 -0.123 0.000 1.278 253 A HN 0.156 nan 8.150 nan 0.000 0.412 254 V N 1.323 121.400 119.914 0.272 0.000 2.932 254 V HA 0.853 4.973 4.120 -0.000 0.000 0.307 254 V C -0.445 175.798 176.094 0.248 0.000 1.147 254 V CA 0.364 62.815 62.300 0.252 0.000 0.951 254 V CB 2.394 34.386 31.823 0.283 0.000 1.031 254 V HN 2.024 nan 8.190 nan 0.000 0.426 255 S N 4.133 119.939 115.700 0.176 0.000 2.648 255 S HA 0.854 5.324 4.470 -0.000 0.000 0.305 255 S C -0.786 173.897 174.600 0.139 0.000 1.094 255 S CA -0.731 57.563 58.200 0.157 0.000 0.983 255 S CB 1.884 65.155 63.200 0.119 0.000 1.101 255 S HN 1.295 nan 8.310 nan 0.000 0.514 256 N N 0.019 118.796 118.700 0.129 0.000 2.999 256 N HA 0.294 5.034 4.740 -0.000 0.000 0.244 256 N C -0.049 175.506 175.510 0.075 0.000 1.106 256 N CA -0.310 52.824 53.050 0.139 0.000 1.018 256 N CB 0.693 39.255 38.487 0.124 0.000 1.600 256 N HN 0.748 nan 8.380 nan 0.000 0.621 257 R N 0.644 121.181 120.500 0.063 0.000 3.943 257 R HA -0.241 4.099 4.340 -0.000 0.000 0.368 257 R C 0.723 177.027 176.300 0.007 0.000 0.242 257 R CA 1.853 57.915 56.100 -0.063 0.000 1.197 257 R CB -1.545 28.638 30.300 -0.195 0.000 0.990 257 R HN 0.859 nan 8.270 nan 0.000 0.565 258 Q N 2.202 121.987 119.800 -0.025 0.000 2.319 258 Q HA 0.188 4.528 4.340 -0.000 0.000 0.202 258 Q C 0.256 176.231 176.000 -0.042 0.000 0.896 258 Q CA 0.477 56.295 55.803 0.024 0.000 0.942 258 Q CB 0.551 29.279 28.738 -0.017 0.000 1.083 258 Q HN 0.301 nan 8.270 nan 0.000 0.510 259 V N 2.200 122.089 119.914 -0.041 0.000 2.472 259 V HA 0.382 4.502 4.120 -0.000 0.000 0.290 259 V C -0.647 175.472 176.094 0.042 0.000 1.037 259 V CA -0.920 61.330 62.300 -0.084 0.000 0.908 259 V CB 1.569 33.359 31.823 -0.056 0.000 0.985 259 V HN 0.329 nan 8.190 nan 0.000 0.454 260 L N 5.662 126.906 121.223 0.036 0.000 2.388 260 L HA 0.555 4.895 4.340 -0.000 0.000 0.267 260 L C -1.110 175.918 176.870 0.264 0.000 0.995 260 L CA -0.229 54.734 54.840 0.204 0.000 0.864 260 L CB 1.042 43.297 42.059 0.326 0.000 1.216 260 L HN 0.531 nan 8.230 nan 0.000 0.430 261 F N 6.629 126.667 119.950 0.147 0.000 2.375 261 F HA 0.594 5.121 4.527 -0.000 0.000 0.362 261 F C 0.128 176.120 175.800 0.320 0.000 1.129 261 F CA -0.832 57.303 58.000 0.224 0.000 1.154 261 F CB 0.179 39.310 39.000 0.218 0.000 1.205 261 F HN 0.743 nan 8.300 nan 0.000 0.513 262 C N 5.085 124.367 119.300 -0.029 0.000 3.171 262 C HA 0.533 4.992 4.460 -0.000 0.000 0.308 262 C C -0.459 174.210 174.990 -0.535 0.000 1.334 262 C CA -0.888 57.911 59.018 -0.364 0.000 1.473 262 C CB 1.549 29.265 27.740 -0.040 0.000 1.866 262 C HN 0.844 nan 8.230 nan 0.000 0.465 263 H N 1.199 119.668 119.070 -1.002 0.000 2.551 263 H HA 0.220 4.776 4.556 0.000 0.000 0.358 263 H C 1.163 176.276 175.328 -0.359 0.000 1.151 263 H CA 1.068 56.731 56.048 -0.641 0.000 1.374 263 H CB 1.695 31.010 29.762 -0.745 0.000 1.473 263 H HN 0.959 nan 8.280 nan 0.000 0.574 264 Q N 2.110 121.734 119.800 -0.293 0.000 2.226 264 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 264 Q C 0.592 176.625 176.000 0.054 0.000 0.975 264 Q CA 1.411 57.164 55.803 -0.083 0.000 0.866 264 Q CB 0.022 28.676 28.738 -0.139 0.000 0.915 264 Q HN 0.649 nan 8.270 nan 0.000 0.440 265 Q N -0.200 119.750 119.800 0.251 0.000 2.212 265 Q HA 0.297 4.637 4.340 -0.000 0.000 0.213 265 Q C 1.262 177.132 176.000 -0.217 0.000 0.874 265 Q CA 0.176 55.974 55.803 -0.009 0.000 0.965 265 Q CB 0.618 29.312 28.738 -0.074 0.000 1.074 265 Q HN 0.512 nan 8.270 nan 0.000 0.473 266 A N 0.516 123.140 122.820 -0.326 0.000 1.854 266 A HA -0.001 4.319 4.320 -0.000 0.000 0.214 266 A C 0.404 177.475 177.584 -0.854 0.000 1.192 266 A CA 0.959 52.551 52.037 -0.741 0.000 0.611 266 A CB 0.100 18.437 19.000 -1.104 0.000 0.832 266 A HN 0.278 nan 8.150 nan 0.000 0.442 267 F N -2.715 117.171 119.950 -0.105 0.000 2.492 267 F HA 0.614 5.141 4.527 -0.000 0.000 0.327 267 F C 1.357 177.111 175.800 -0.076 0.000 1.079 267 F CA -0.470 57.472 58.000 -0.096 0.000 0.967 267 F CB 1.506 40.456 39.000 -0.084 0.000 1.169 267 F HN 0.151 nan 8.300 nan 0.000 0.472 268 A N 2.342 125.221 122.820 0.099 0.000 1.859 268 A HA -0.144 4.175 4.320 -0.000 0.000 0.217 268 A C 1.485 179.102 177.584 0.055 0.000 1.198 268 A CA 1.440 53.502 52.037 0.043 0.000 0.629 268 A CB -0.418 18.593 19.000 0.019 0.000 0.830 268 A HN 0.773 nan 8.150 nan 0.000 0.446 269 R N -0.786 119.753 120.500 0.065 0.000 3.335 269 R HA 0.252 4.592 4.340 -0.000 0.000 0.337 269 R C 1.045 177.373 176.300 0.046 0.000 1.283 269 R CA -0.073 56.053 56.100 0.043 0.000 1.246 269 R CB 0.204 30.520 30.300 0.026 0.000 1.464 269 R HN 0.699 nan 8.270 nan 0.000 0.607 270 Q N 0.752 120.609 119.800 0.094 0.000 2.047 270 Q HA -0.297 4.043 4.340 -0.000 0.000 0.211 270 Q C 2.064 178.090 176.000 0.044 0.000 1.005 270 Q CA 2.696 58.567 55.803 0.113 0.000 0.866 270 Q CB -0.066 28.769 28.738 0.161 0.000 0.938 270 Q HN 0.410 nan 8.270 nan 0.000 0.414 271 S N -0.589 115.135 115.700 0.040 0.000 2.378 271 S HA -0.335 4.135 4.470 -0.000 0.000 0.229 271 S C 1.865 176.468 174.600 0.005 0.000 1.052 271 S CA 2.022 60.238 58.200 0.026 0.000 1.084 271 S CB -0.301 62.913 63.200 0.023 0.000 0.950 271 S HN 0.468 nan 8.310 nan 0.000 0.440 272 Q N 0.595 120.393 119.800 -0.003 0.000 2.050 272 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 272 Q C 2.189 178.155 176.000 -0.055 0.000 0.980 272 Q CA 1.546 57.337 55.803 -0.020 0.000 0.840 272 Q CB -0.678 28.054 28.738 -0.011 0.000 0.898 272 Q HN 0.573 nan 8.270 nan 0.000 0.424 273 L N -0.004 121.169 121.223 -0.082 0.000 1.989 273 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 273 L C 1.825 178.578 176.870 -0.194 0.000 1.071 273 L CA 1.708 56.447 54.840 -0.167 0.000 0.749 273 L CB -0.590 41.305 42.059 -0.274 0.000 0.890 273 L HN 0.257 nan 8.230 nan 0.000 0.431 274 L N -0.571 120.580 121.223 -0.120 0.000 2.042 274 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 274 L C 2.707 179.533 176.870 -0.073 0.000 1.076 274 L CA 1.259 56.066 54.840 -0.056 0.000 0.749 274 L CB -1.099 41.019 42.059 0.098 0.000 0.893 274 L HN 0.405 nan 8.230 nan 0.000 0.432 275 A N 0.506 123.301 122.820 -0.041 0.000 1.908 275 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 275 A C 2.090 179.623 177.584 -0.085 0.000 1.181 275 A CA 2.270 54.289 52.037 -0.030 0.000 0.627 275 A CB -0.782 18.209 19.000 -0.015 0.000 0.818 275 A HN 0.508 nan 8.150 nan 0.000 0.445 276 N N -0.270 118.358 118.700 -0.121 0.000 2.120 276 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 276 N C 1.368 176.742 175.510 -0.227 0.000 1.024 276 N CA 1.561 54.528 53.050 -0.139 0.000 0.852 276 N CB -0.390 38.022 38.487 -0.125 0.000 1.003 276 N HN 0.250 nan 8.380 nan 0.000 0.424 277 L N 0.932 121.918 121.223 -0.396 0.000 2.083 277 L HA 0.034 4.374 4.340 -0.000 0.000 0.209 277 L C 2.444 178.948 176.870 -0.611 0.000 1.083 277 L CA 1.265 55.687 54.840 -0.697 0.000 0.752 277 L CB -0.742 40.512 42.059 -1.342 0.000 0.899 277 L HN 0.185 nan 8.230 nan 0.000 0.433 278 R N -0.898 119.383 120.500 -0.366 0.000 2.091 278 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 278 R C 2.188 178.480 176.300 -0.014 0.000 1.136 278 R CA 1.379 57.483 56.100 0.006 0.000 0.959 278 R CB -0.414 29.951 30.300 0.108 0.000 0.856 278 R HN 0.397 nan 8.270 nan 0.000 0.437 279 A N 0.447 123.230 122.820 -0.062 0.000 1.968 279 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 279 A C 1.897 179.456 177.584 -0.042 0.000 1.169 279 A CA 0.933 52.948 52.037 -0.037 0.000 0.638 279 A CB -0.045 18.931 19.000 -0.040 0.000 0.812 279 A HN 0.182 nan 8.150 nan 0.000 0.446 280 R N -1.282 119.169 120.500 -0.082 0.000 2.282 280 R HA 0.206 4.546 4.340 -0.000 0.000 0.195 280 R C -0.672 175.600 176.300 -0.048 0.000 0.909 280 R CA 0.205 56.266 56.100 -0.065 0.000 1.039 280 R CB 0.641 30.893 30.300 -0.081 0.000 1.015 280 R HN 0.274 nan 8.270 nan 0.000 0.513 281 V N 2.332 122.212 119.914 -0.056 0.000 2.334 281 V HA 0.163 4.283 4.120 -0.000 0.000 0.281 281 V C -0.298 175.851 176.094 0.093 0.000 1.016 281 V CA -0.862 61.450 62.300 0.019 0.000 0.832 281 V CB 1.268 33.107 31.823 0.027 0.000 0.999 281 V HN 0.225 nan 8.190 nan 0.000 0.439 282 N N 3.683 122.424 118.700 0.070 0.000 2.447 282 N HA 0.292 5.032 4.740 -0.000 0.000 0.263 282 N C 1.272 176.830 175.510 0.080 0.000 1.226 282 N CA 0.770 53.860 53.050 0.068 0.000 0.906 282 N CB 0.589 39.105 38.487 0.048 0.000 1.060 282 N HN 1.104 nan 8.380 nan 0.000 0.468 283 G N 2.105 110.951 108.800 0.077 0.000 2.168 283 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.263 283 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.263 283 G C 0.235 175.171 174.900 0.060 0.000 0.977 283 G CA 0.054 45.183 45.100 0.049 0.000 0.659 283 G HN 0.590 nan 8.290 nan 0.000 0.533 287 I N 2.822 123.439 120.570 0.078 0.000 2.347 287 I HA 0.242 4.412 4.170 -0.000 0.000 0.283 287 I C 0.013 176.250 176.117 0.200 0.000 1.058 287 I CA -0.054 61.362 61.300 0.194 0.000 1.202 287 I CB 1.163 39.384 38.000 0.368 0.000 1.386 287 I HN 0.656 nan 8.210 nan 0.000 0.475 288 E N 5.334 125.594 120.200 0.100 0.000 2.227 288 E HA 0.334 4.684 4.350 -0.000 0.000 0.282 288 E C -0.796 175.773 176.600 -0.053 0.000 1.015 288 E CA -0.656 55.744 56.400 0.001 0.000 0.823 288 E CB 2.486 32.181 29.700 -0.008 0.000 1.081 288 E HN 0.261 nan 8.360 nan 0.000 0.396 289 V N 6.190 125.979 119.914 -0.208 0.000 2.368 289 V HA 0.180 4.300 4.120 -0.000 0.000 0.266 289 V C -1.845 173.942 176.094 -0.510 0.000 1.045 289 V CA -1.780 60.301 62.300 -0.366 0.000 0.899 289 V CB 0.485 32.041 31.823 -0.445 0.000 1.006 289 V HN 0.581 nan 8.190 nan 0.000 0.470 290 P HA 0.105 nan 4.420 nan 0.000 0.271 290 P C 0.638 177.753 177.300 -0.307 0.000 1.216 290 P CA -0.056 62.880 63.100 -0.274 0.000 0.776 290 P CB 1.386 33.011 31.700 -0.125 0.000 0.881 291 A N 3.434 126.126 122.820 -0.212 0.000 1.978 291 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 291 A C 2.108 179.679 177.584 -0.021 0.000 1.170 291 A CA 2.465 54.477 52.037 -0.041 0.000 0.636 291 A CB -1.959 17.084 19.000 0.071 0.000 0.810 291 A HN 0.676 nan 8.150 nan 0.000 0.448 292 T N -2.158 112.374 114.554 -0.035 0.000 2.720 292 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 292 T C 1.902 176.599 174.700 -0.005 0.000 1.037 292 T CA 1.742 63.836 62.100 -0.010 0.000 1.144 292 T CB -0.429 68.435 68.868 -0.008 0.000 0.864 292 T HN 0.620 nan 8.240 nan 0.000 0.444 293 Q N 0.268 120.044 119.800 -0.040 0.000 2.062 293 Q HA 0.180 4.520 4.340 -0.000 0.000 0.196 293 Q C 0.135 176.119 176.000 -0.027 0.000 0.967 293 Q CA 0.731 56.519 55.803 -0.026 0.000 0.832 293 Q CB 0.310 29.015 28.738 -0.055 0.000 0.899 293 Q HN 0.387 nan 8.270 nan 0.000 0.442 294 V N 1.477 121.339 119.914 -0.087 0.000 2.524 294 V HA 0.170 4.290 4.120 -0.000 0.000 0.297 294 V C -0.251 175.897 176.094 0.090 0.000 1.035 294 V CA -0.724 61.564 62.300 -0.020 0.000 0.867 294 V CB 1.707 33.470 31.823 -0.099 0.000 1.004 294 V HN 0.257 nan 8.190 nan 0.000 0.426 295 S N 3.692 119.450 115.700 0.098 0.000 2.624 295 S HA 0.380 4.849 4.470 -0.000 0.000 0.263 295 S C 1.177 175.813 174.600 0.059 0.000 1.287 295 S CA -0.433 57.832 58.200 0.109 0.000 0.990 295 S CB 1.563 64.798 63.200 0.058 0.000 0.950 295 S HN 0.375 nan 8.310 nan 0.000 0.561 296 V N 1.192 121.063 119.914 -0.072 0.000 2.427 296 V HA -0.132 3.988 4.120 -0.000 0.000 0.248 296 V C 2.902 178.930 176.094 -0.111 0.000 1.051 296 V CA 2.160 64.321 62.300 -0.232 0.000 1.048 296 V CB -1.232 30.418 31.823 -0.289 0.000 0.666 296 V HN 1.030 nan 8.190 nan 0.000 0.456 297 S N -0.050 115.620 115.700 -0.049 0.000 2.359 297 S HA -0.261 4.209 4.470 -0.000 0.000 0.224 297 S C 1.798 176.397 174.600 -0.001 0.000 1.035 297 S CA 2.027 60.219 58.200 -0.013 0.000 1.018 297 S CB -0.448 62.761 63.200 0.015 0.000 0.876 297 S HN 0.645 nan 8.310 nan 0.000 0.448 298 D N 0.524 120.923 120.400 -0.002 0.000 2.144 298 D HA -0.051 4.589 4.640 -0.000 0.000 0.199 298 D C 2.099 178.342 176.300 -0.095 0.000 0.984 298 D CA 1.512 55.471 54.000 -0.068 0.000 0.834 298 D CB -0.931 39.809 40.800 -0.099 0.000 0.955 298 D HN 0.432 nan 8.370 nan 0.000 0.465 299 T N 0.519 115.050 114.554 -0.038 0.000 2.684 299 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 299 T C 2.234 176.923 174.700 -0.018 0.000 1.036 299 T CA 0.874 62.977 62.100 0.006 0.000 1.148 299 T CB -0.341 68.550 68.868 0.038 0.000 0.863 299 T HN -0.014 nan 8.240 nan 0.000 0.436 300 V N 1.271 121.159 119.914 -0.042 0.000 2.427 300 V HA -0.117 4.002 4.120 -0.000 0.000 0.248 300 V C 2.636 178.823 176.094 0.154 0.000 1.051 300 V CA 1.652 63.942 62.300 -0.017 0.000 1.048 300 V CB -0.570 31.225 31.823 -0.048 0.000 0.666 300 V HN 0.426 nan 8.190 nan 0.000 0.456 301 S N 0.089 115.849 115.700 0.100 0.000 2.414 301 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 301 S C 2.098 176.778 174.600 0.132 0.000 1.022 301 S CA 1.627 59.895 58.200 0.114 0.000 0.958 301 S CB -0.178 63.073 63.200 0.084 0.000 0.797 301 S HN 0.852 nan 8.310 nan 0.000 0.493 302 T N -2.977 111.640 114.554 0.106 0.000 3.051 302 T HA 0.100 4.450 4.350 -0.000 0.000 0.255 302 T C 0.304 175.147 174.700 0.238 0.000 1.085 302 T CA 0.069 62.231 62.100 0.105 0.000 1.109 302 T CB -0.429 68.426 68.868 -0.023 0.000 0.921 302 T HN 0.200 nan 8.240 nan 0.000 0.488 303 Y N 0.173 120.463 120.300 -0.017 0.000 3.790 303 Y HA -0.161 4.389 4.550 -0.000 0.000 0.226 303 Y C 1.150 177.051 175.900 0.002 0.000 1.257 303 Y CA -0.225 57.877 58.100 0.004 0.000 1.765 303 Y CB -2.304 36.169 38.460 0.022 0.000 1.552 303 Y HN 0.349 nan 8.280 nan 0.000 0.650 304 L N -0.748 120.479 121.223 0.007 0.000 2.081 304 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 304 L C 1.821 178.520 176.870 -0.283 0.000 1.080 304 L CA 2.269 57.018 54.840 -0.152 0.000 0.754 304 L CB -0.660 41.205 42.059 -0.323 0.000 0.893 304 L HN 0.258 nan 8.230 nan 0.000 0.433 305 F N -1.046 118.906 119.950 0.003 0.000 2.765 305 F HA 0.133 4.660 4.527 -0.000 0.000 0.302 305 F C 1.784 177.583 175.800 -0.002 0.000 1.111 305 F CA 0.256 58.257 58.000 0.000 0.000 1.359 305 F CB -0.482 38.440 39.000 -0.130 0.000 1.097 305 F HN 0.241 nan 8.300 nan 0.000 0.577 306 N N 0.847 119.592 118.700 0.076 0.000 2.378 306 N HA 0.001 4.741 4.740 -0.000 0.000 0.243 306 N C -0.120 175.486 175.510 0.160 0.000 1.137 306 N CA -0.087 53.017 53.050 0.090 0.000 0.862 306 N CB 0.212 38.743 38.487 0.074 0.000 1.116 306 N HN 0.162 nan 8.380 nan 0.000 0.499 307 S N -0.563 115.227 115.700 0.150 0.000 2.687 307 S HA 0.322 4.792 4.470 -0.000 0.000 0.283 307 S C -0.130 174.542 174.600 0.120 0.000 1.170 307 S CA -0.708 57.573 58.200 0.135 0.000 1.008 307 S CB 2.026 65.292 63.200 0.110 0.000 1.026 307 S HN 0.185 nan 8.310 nan 0.000 0.541 308 Q N 0.378 120.228 119.800 0.084 0.000 2.278 308 Q HA 0.473 4.813 4.340 -0.000 0.000 0.257 308 Q C -1.341 174.662 176.000 0.006 0.000 0.928 308 Q CA -0.647 55.185 55.803 0.048 0.000 0.932 308 Q CB 1.464 30.211 28.738 0.016 0.000 1.221 308 Q HN 0.586 nan 8.270 nan 0.000 0.434 309 L N 5.205 126.440 121.223 0.021 0.000 2.283 309 L HA 0.386 4.726 4.340 -0.000 0.000 0.281 309 L C -1.421 175.444 176.870 -0.009 0.000 1.033 309 L CA 0.033 54.867 54.840 -0.010 0.000 0.848 309 L CB 0.352 42.428 42.059 0.029 0.000 1.226 309 L HN 0.525 nan 8.230 nan 0.000 0.429 310 L N 2.772 123.943 121.223 -0.087 0.000 2.375 310 L HA 0.613 4.952 4.340 -0.000 0.000 0.268 310 L C 0.321 177.224 176.870 0.056 0.000 1.058 310 L CA -0.604 54.180 54.840 -0.093 0.000 0.803 310 L CB 1.541 43.276 42.059 -0.541 0.000 1.212 310 L HN 0.478 nan 8.230 nan 0.000 0.451 311 S N 0.766 116.597 115.700 0.219 0.000 2.482 311 S HA 0.569 5.039 4.470 -0.000 0.000 0.303 311 S C -0.417 174.362 174.600 0.299 0.000 1.091 311 S CA -0.894 57.428 58.200 0.204 0.000 1.057 311 S CB 1.739 65.010 63.200 0.119 0.000 1.031 311 S HN 0.390 nan 8.310 nan 0.000 0.485 312 R N 1.330 121.929 120.500 0.164 0.000 2.608 312 R HA 0.318 4.657 4.340 -0.000 0.000 0.255 312 R C 0.142 176.443 176.300 0.001 0.000 1.086 312 R CA -0.632 55.507 56.100 0.066 0.000 1.125 312 R CB 0.259 30.582 30.300 0.039 0.000 1.193 312 R HN 0.551 nan 8.270 nan 0.000 0.553 313 D N 0.507 120.876 120.400 -0.051 0.000 2.219 313 D HA -0.140 4.500 4.640 -0.000 0.000 0.205 313 D C 0.876 177.174 176.300 -0.003 0.000 0.970 313 D CA 1.277 55.261 54.000 -0.028 0.000 0.851 313 D CB -0.040 40.730 40.800 -0.051 0.000 0.943 313 D HN 0.547 nan 8.370 nan 0.000 0.488 314 D N -1.166 119.226 120.400 -0.014 0.000 2.349 314 D HA 0.103 4.743 4.640 -0.000 0.000 0.224 314 D C 1.583 177.873 176.300 -0.016 0.000 1.029 314 D CA 0.724 54.719 54.000 -0.009 0.000 0.879 314 D CB -0.126 40.665 40.800 -0.015 0.000 0.906 314 D HN 0.206 nan 8.370 nan 0.000 0.528 315 G N -0.200 108.585 108.800 -0.025 0.000 2.213 315 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.236 315 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.236 315 G C 0.564 175.436 174.900 -0.047 0.000 0.991 315 G CA 0.394 45.462 45.100 -0.053 0.000 0.629 315 G HN 0.813 nan 8.290 nan 0.000 0.517 320 V N 5.035 124.948 119.914 -0.001 0.000 2.364 320 V HA 0.487 4.606 4.120 -0.000 0.000 0.272 320 V C -0.002 176.168 176.094 0.126 0.000 1.036 320 V CA -0.141 62.209 62.300 0.084 0.000 0.880 320 V CB 1.359 33.256 31.823 0.123 0.000 0.991 320 V HN 0.425 nan 8.190 nan 0.000 0.460 321 L N 7.538 128.845 121.223 0.140 0.000 2.323 321 L HA 0.681 5.021 4.340 -0.000 0.000 0.265 321 L C -2.417 174.561 176.870 0.179 0.000 1.012 321 L CA -1.946 52.987 54.840 0.155 0.000 0.820 321 L CB 2.628 44.775 42.059 0.147 0.000 1.334 321 L HN 0.374 nan 8.230 nan 0.000 0.427 322 P HA 0.112 nan 4.420 nan 0.000 0.279 322 P C -0.356 177.009 177.300 0.108 0.000 1.252 322 P CA -0.460 62.732 63.100 0.153 0.000 0.811 322 P CB 1.249 33.033 31.700 0.140 0.000 1.035 323 Q N 0.393 120.239 119.800 0.076 0.000 2.248 323 Q HA -0.229 4.111 4.340 -0.000 0.000 0.208 323 Q C 1.405 177.422 176.000 0.027 0.000 0.984 323 Q CA 1.830 57.648 55.803 0.025 0.000 0.875 323 Q CB -0.178 28.566 28.738 0.010 0.000 0.910 323 Q HN 0.445 nan 8.270 nan 0.000 0.433 324 E N -0.881 119.352 120.200 0.056 0.000 2.209 324 E HA -0.182 4.167 4.350 -0.000 0.000 0.196 324 E C 1.736 178.406 176.600 0.117 0.000 0.993 324 E CA 1.076 57.521 56.400 0.075 0.000 0.819 324 E CB -0.257 29.486 29.700 0.072 0.000 0.745 324 E HN 0.374 nan 8.360 nan 0.000 0.477 325 C N -0.006 119.372 119.300 0.130 0.000 2.446 325 C HA 0.061 4.521 4.460 -0.000 0.000 0.279 325 C C 2.508 177.654 174.990 0.260 0.000 1.366 325 C CA 0.449 59.584 59.018 0.196 0.000 1.763 325 C CB -0.547 27.320 27.740 0.210 0.000 1.929 325 C HN 0.310 nan 8.230 nan 0.000 0.509 326 R N 1.681 122.226 120.500 0.075 0.000 2.127 326 R HA 0.004 4.343 4.340 -0.000 0.000 0.217 326 R C 1.698 177.887 176.300 -0.185 0.000 1.074 326 R CA 1.341 57.291 56.100 -0.251 0.000 0.991 326 R CB -0.452 29.525 30.300 -0.538 0.000 0.895 326 R HN 0.546 nan 8.270 nan 0.000 0.450 327 E N -0.517 119.656 120.200 -0.044 0.000 2.502 327 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 327 E C -0.252 176.390 176.600 0.070 0.000 1.062 327 E CA 0.173 56.563 56.400 -0.016 0.000 0.867 327 E CB 0.015 29.713 29.700 -0.003 0.000 0.888 327 E HN 0.304 nan 8.360 nan 0.000 0.510 328 H N 0.214 119.318 119.070 0.056 0.000 2.661 328 H HA 0.337 4.893 4.556 -0.000 0.000 0.290 328 H C 0.744 176.159 175.328 0.145 0.000 1.082 328 H CA -0.169 55.934 56.048 0.093 0.000 1.234 328 H CB 1.006 30.832 29.762 0.108 0.000 1.387 328 H HN 0.052 nan 8.280 nan 0.000 0.476 329 A N 4.380 127.169 122.820 -0.051 0.000 1.903 329 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 329 A C 2.434 180.114 177.584 0.161 0.000 1.191 329 A CA 1.953 54.028 52.037 0.063 0.000 0.638 329 A CB -1.110 17.877 19.000 -0.021 0.000 0.823 329 A HN 0.801 nan 8.150 nan 0.000 0.451 330 G N -1.014 107.824 108.800 0.064 0.000 2.421 330 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.216 330 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.216 330 G C 1.531 176.684 174.900 0.422 0.000 1.171 330 G CA 1.300 46.564 45.100 0.273 0.000 0.775 330 G HN 0.361 nan 8.290 nan 0.000 0.543 331 V N -0.144 120.175 119.914 0.676 0.000 2.323 331 V HA -0.097 4.023 4.120 -0.000 0.000 0.244 331 V C 2.262 178.575 176.094 0.365 0.000 1.041 331 V CA 1.547 64.065 62.300 0.364 0.000 1.025 331 V CB -0.560 31.354 31.823 0.151 0.000 0.656 331 V HN 0.647 nan 8.190 nan 0.000 0.451 332 W N 1.188 122.605 121.300 0.195 0.000 2.363 332 W HA -0.149 4.511 4.660 0.000 0.000 0.296 332 W C 2.108 178.675 176.519 0.080 0.000 1.212 332 W CA 1.579 58.988 57.345 0.106 0.000 1.260 332 W CB -0.380 29.125 29.460 0.075 0.000 1.131 332 W HN 0.366 nan 8.180 nan 0.000 0.530 333 G N -0.242 108.659 108.800 0.167 0.000 2.421 333 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.216 333 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.216 333 G C 1.243 176.117 174.900 -0.042 0.000 1.171 333 G CA 1.225 46.345 45.100 0.034 0.000 0.775 333 G HN 0.430 nan 8.290 nan 0.000 0.543 334 Y N 1.213 121.498 120.300 -0.026 0.000 2.165 334 Y HA -0.048 4.502 4.550 -0.000 0.000 0.286 334 Y C 2.540 178.375 175.900 -0.108 0.000 1.155 334 Y CA 1.401 59.480 58.100 -0.036 0.000 1.164 334 Y CB -0.349 38.122 38.460 0.018 0.000 0.978 334 Y HN 0.120 nan 8.280 nan 0.000 0.513 335 L N 0.313 121.334 121.223 -0.338 0.000 2.046 335 L HA -0.275 4.065 4.340 -0.000 0.000 0.208 335 L C 2.347 178.853 176.870 -0.606 0.000 1.077 335 L CA 1.524 56.065 54.840 -0.498 0.000 0.747 335 L CB -0.662 41.156 42.059 -0.401 0.000 0.896 335 L HN 0.313 nan 8.230 nan 0.000 0.432 336 N N -0.300 118.011 118.700 -0.649 0.000 2.244 336 N HA -0.223 4.517 4.740 -0.000 0.000 0.183 336 N C 1.773 177.060 175.510 -0.372 0.000 1.016 336 N CA 1.194 53.922 53.050 -0.536 0.000 0.866 336 N CB 0.036 38.224 38.487 -0.499 0.000 0.980 336 N HN 0.471 nan 8.380 nan 0.000 0.430 337 E N 0.782 120.761 120.200 -0.369 0.000 2.072 337 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 337 E C 2.074 178.470 176.600 -0.341 0.000 0.982 337 E CA 0.487 56.711 56.400 -0.292 0.000 0.803 337 E CB -0.009 29.545 29.700 -0.243 0.000 0.755 337 E HN 0.110 nan 8.360 nan 0.000 0.453 338 L N 1.028 121.933 121.223 -0.529 0.000 2.083 338 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 338 L C 2.312 178.992 176.870 -0.317 0.000 1.083 338 L CA 1.201 55.766 54.840 -0.458 0.000 0.752 338 L CB -0.494 41.198 42.059 -0.611 0.000 0.899 338 L HN 0.271 nan 8.230 nan 0.000 0.433 339 L N -0.127 120.898 121.223 -0.329 0.000 2.083 339 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 339 L C 2.291 179.049 176.870 -0.188 0.000 1.083 339 L CA 2.080 56.767 54.840 -0.254 0.000 0.752 339 L CB -0.895 41.001 42.059 -0.271 0.000 0.899 339 L HN 0.297 nan 8.230 nan 0.000 0.433 340 A N -0.938 121.773 122.820 -0.181 0.000 2.147 340 A HA 0.528 4.848 4.320 -0.000 0.000 0.211 340 A C 1.452 178.969 177.584 -0.112 0.000 1.160 340 A CA 0.427 52.386 52.037 -0.130 0.000 0.781 340 A CB -0.765 18.165 19.000 -0.118 0.000 0.842 340 A HN 0.460 nan 8.150 nan 0.000 0.475 341 A N 0.176 122.920 122.820 -0.127 0.000 2.346 341 A HA 0.364 4.684 4.320 -0.000 0.000 0.255 341 A C -0.081 177.452 177.584 -0.084 0.000 1.113 341 A CA 0.074 52.052 52.037 -0.097 0.000 0.798 341 A CB -0.073 18.868 19.000 -0.099 0.000 1.073 341 A HN 0.224 nan 8.150 nan 0.000 0.502 342 D N 0.262 120.624 120.400 -0.064 0.000 2.470 342 D HA 0.378 5.017 4.640 -0.000 0.000 0.226 342 D C -0.394 175.869 176.300 -0.063 0.000 1.196 342 D CA 0.301 54.267 54.000 -0.057 0.000 0.979 342 D CB -0.717 40.057 40.800 -0.043 0.000 1.059 342 D HN 0.643 nan 8.370 nan 0.000 0.515 343 N N 0.515 119.169 118.700 -0.077 0.000 3.046 343 N HA 0.391 5.131 4.740 -0.000 0.000 0.243 343 N C -2.479 172.976 175.510 -0.092 0.000 1.452 343 N CA -1.120 51.879 53.050 -0.084 0.000 0.882 343 N CB 0.565 38.997 38.487 -0.091 0.000 1.425 343 N HN -0.214 nan 8.380 nan 0.000 0.517 344 P HA 0.122 nan 4.420 nan 0.000 0.222 344 P C -0.262 176.979 177.300 -0.098 0.000 1.147 344 P CA 0.735 63.781 63.100 -0.089 0.000 0.790 344 P CB 0.162 31.810 31.700 -0.087 0.000 0.780 345 I N 0.211 120.702 120.570 -0.131 0.000 2.576 345 I HA -0.047 4.123 4.170 -0.000 0.000 0.288 345 I C 0.672 176.707 176.117 -0.136 0.000 1.126 345 I CA 0.652 61.858 61.300 -0.156 0.000 1.362 345 I CB 0.127 37.984 38.000 -0.239 0.000 1.419 345 I HN -0.068 nan 8.210 nan 0.000 0.533 346 S N 4.881 120.519 115.700 -0.102 0.000 2.603 346 S HA 0.215 4.685 4.470 -0.000 0.000 0.232 346 S C 0.021 174.574 174.600 -0.078 0.000 1.016 346 S CA -0.374 57.775 58.200 -0.086 0.000 0.976 346 S CB 0.287 63.452 63.200 -0.059 0.000 0.921 346 S HN 0.664 nan 8.310 nan 0.000 0.516 347 E N 0.868 121.019 120.200 -0.081 0.000 2.352 347 E HA 0.512 4.862 4.350 -0.000 0.000 0.280 347 E C -1.662 174.892 176.600 -0.078 0.000 0.930 347 E CA -0.614 55.749 56.400 -0.062 0.000 0.765 347 E CB 1.876 31.565 29.700 -0.018 0.000 1.219 347 E HN 0.044 nan 8.360 nan 0.000 0.434 348 L N 1.936 123.124 121.223 -0.058 0.000 2.341 348 L HA 0.621 4.961 4.340 -0.000 0.000 0.278 348 L C -0.598 176.278 176.870 0.010 0.000 1.005 348 L CA -1.033 53.787 54.840 -0.033 0.000 0.818 348 L CB 1.403 43.435 42.059 -0.044 0.000 1.259 348 L HN 0.301 nan 8.230 nan 0.000 0.418 349 K N 2.595 122.985 120.400 -0.018 0.000 2.426 349 K HA 0.638 4.958 4.320 -0.000 0.000 0.254 349 K C -1.473 175.036 176.600 -0.151 0.000 0.936 349 K CA -0.435 55.783 56.287 -0.114 0.000 0.801 349 K CB 1.929 34.345 32.500 -0.139 0.000 1.139 349 K HN 0.300 nan 8.250 nan 0.000 0.424 350 V N 5.316 125.084 119.914 -0.242 0.000 2.581 350 V HA 0.605 4.725 4.120 -0.000 0.000 0.303 350 V C -0.771 175.088 176.094 -0.391 0.000 1.041 350 V CA -0.625 61.565 62.300 -0.184 0.000 0.907 350 V CB 1.111 32.879 31.823 -0.091 0.000 0.994 350 V HN 0.661 nan 8.190 nan 0.000 0.442 351 F N 1.345 121.312 119.950 0.028 0.000 2.563 351 F HA 0.422 4.949 4.527 -0.000 0.000 0.316 351 F C -0.079 175.732 175.800 0.018 0.000 1.076 351 F CA -0.810 57.204 58.000 0.022 0.000 0.921 351 F CB 1.926 40.944 39.000 0.031 0.000 1.209 351 F HN 0.482 nan 8.300 nan 0.000 0.462 352 D N 2.850 123.391 120.400 0.234 0.000 2.365 352 D HA 0.312 4.952 4.640 -0.000 0.000 0.237 352 D C -0.655 175.715 176.300 0.117 0.000 1.190 352 D CA 0.098 54.173 54.000 0.125 0.000 0.867 352 D CB 0.652 41.501 40.800 0.080 0.000 1.050 352 D HN 0.242 nan 8.370 nan 0.000 0.491 353 L N 4.664 125.944 121.223 0.095 0.000 3.186 353 L HA 0.316 4.656 4.340 -0.000 0.000 0.292 353 L C 1.729 178.632 176.870 0.055 0.000 1.303 353 L CA -0.128 54.756 54.840 0.074 0.000 0.940 353 L CB -0.033 42.082 42.059 0.094 0.000 1.358 353 L HN 0.464 nan 8.230 nan 0.000 0.581 354 R N -0.151 120.371 120.500 0.036 0.000 2.103 354 R HA -0.161 4.179 4.340 -0.000 0.000 0.242 354 R C 1.463 177.790 176.300 0.046 0.000 1.142 354 R CA 1.513 57.623 56.100 0.015 0.000 0.960 354 R CB 0.326 30.617 30.300 -0.014 0.000 0.858 354 R HN 0.393 nan 8.270 nan 0.000 0.439 355 E N 0.540 120.787 120.200 0.077 0.000 2.058 355 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 355 E C 1.202 177.956 176.600 0.258 0.000 0.997 355 E CA 0.639 57.151 56.400 0.187 0.000 0.801 355 E CB -0.419 29.321 29.700 0.066 0.000 0.746 355 E HN 0.081 nan 8.360 nan 0.000 0.450 359 N N 0.544 119.407 118.700 0.272 0.000 2.230 359 N HA 0.324 5.064 4.740 -0.000 0.000 0.202 359 N C 0.967 176.540 175.510 0.105 0.000 1.119 359 N CA 1.285 54.540 53.050 0.342 0.000 0.851 359 N CB 1.016 39.921 38.487 0.698 0.000 0.990 359 N HN 1.226 nan 8.380 nan 0.000 0.497 360 G N -0.452 108.353 108.800 0.009 0.000 2.140 360 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.211 360 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.211 360 G C 0.179 174.967 174.900 -0.186 0.000 1.013 360 G CA -0.150 44.902 45.100 -0.079 0.000 0.705 360 G HN 0.520 nan 8.290 nan 0.000 0.508 361 G N -0.556 108.143 108.800 -0.169 0.000 2.626 361 G HA2 0.805 4.765 3.960 -0.000 0.000 0.304 361 G HA3 0.805 4.765 3.960 -0.000 0.000 0.304 361 G C 0.354 175.340 174.900 0.144 0.000 1.385 361 G CA 0.440 45.505 45.100 -0.058 0.000 0.957 361 G HN 1.034 nan 8.290 nan 0.000 0.504 362 G N 1.673 110.630 108.800 0.262 0.000 2.671 362 G HA2 0.613 4.573 3.960 -0.000 0.000 0.275 362 G HA3 0.613 4.573 3.960 -0.000 0.000 0.275 362 G C -1.316 173.735 174.900 0.251 0.000 1.368 362 G CA -1.241 44.022 45.100 0.272 0.000 1.044 362 G HN 0.330 nan 8.290 nan 0.000 0.543 363 P HA -0.117 nan 4.420 nan 0.000 0.216 363 P C 1.976 179.367 177.300 0.151 0.000 1.153 363 P CA 2.416 65.610 63.100 0.157 0.000 0.858 363 P CB 0.141 31.939 31.700 0.163 0.000 0.789 364 A N -1.426 121.495 122.820 0.167 0.000 1.929 364 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 364 A C 2.340 180.026 177.584 0.169 0.000 1.176 364 A CA 1.371 53.496 52.037 0.147 0.000 0.628 364 A CB -1.685 17.396 19.000 0.134 0.000 0.816 364 A HN 0.206 nan 8.150 nan 0.000 0.444 365 C N -0.694 118.735 119.300 0.216 0.000 2.411 365 C HA -0.046 4.414 4.460 -0.000 0.000 0.279 365 C C 2.296 177.508 174.990 0.369 0.000 1.288 365 C CA 0.931 60.103 59.018 0.256 0.000 1.764 365 C CB -1.396 26.472 27.740 0.213 0.000 1.974 365 C HN 0.599 nan 8.230 nan 0.000 0.498 366 L N 0.560 121.984 121.223 0.335 0.000 2.599 366 L HA 0.057 4.397 4.340 -0.000 0.000 0.230 366 L C 0.794 177.757 176.870 0.153 0.000 1.141 366 L CA 0.379 55.367 54.840 0.248 0.000 0.877 366 L CB -0.400 41.761 42.059 0.170 0.000 1.009 366 L HN 0.471 nan 8.230 nan 0.000 0.447 367 R N -0.094 120.497 120.500 0.151 0.000 2.725 367 R HA 0.662 5.002 4.340 -0.000 0.000 0.277 367 R C -1.426 174.955 176.300 0.135 0.000 0.987 367 R CA -0.749 55.431 56.100 0.132 0.000 0.901 367 R CB 1.374 31.734 30.300 0.100 0.000 1.207 367 R HN -0.134 nan 8.270 nan 0.000 0.463 368 L N 1.730 123.050 121.223 0.161 0.000 2.343 368 L HA 0.563 4.903 4.340 -0.000 0.000 0.278 368 L C -0.828 176.140 176.870 0.163 0.000 0.996 368 L CA -0.558 54.359 54.840 0.129 0.000 0.831 368 L CB 1.584 43.697 42.059 0.091 0.000 1.232 368 L HN 0.690 nan 8.230 nan 0.000 0.413 369 R N 4.167 124.733 120.500 0.110 0.000 2.267 369 R HA 0.574 4.914 4.340 -0.000 0.000 0.319 369 R C -1.133 175.213 176.300 0.076 0.000 1.067 369 R CA -0.440 55.725 56.100 0.108 0.000 0.936 369 R CB 1.064 31.407 30.300 0.071 0.000 1.006 369 R HN 0.467 nan 8.270 nan 0.000 0.452 370 V N 4.643 124.636 119.914 0.131 0.000 2.380 370 V HA 0.147 4.267 4.120 -0.000 0.000 0.286 370 V C -0.059 176.106 176.094 0.118 0.000 1.015 370 V CA -0.898 61.448 62.300 0.077 0.000 0.834 370 V CB 1.739 33.581 31.823 0.032 0.000 1.009 370 V HN 0.485 nan 8.190 nan 0.000 0.428 371 V N 7.148 127.097 119.914 0.059 0.000 2.479 371 V HA 0.321 4.441 4.120 -0.000 0.000 0.281 371 V C 0.020 176.193 176.094 0.131 0.000 1.031 371 V CA 0.256 62.592 62.300 0.060 0.000 1.038 371 V CB 0.772 32.632 31.823 0.062 0.000 0.981 371 V HN 0.615 nan 8.190 nan 0.000 0.478 372 L N 4.787 126.108 121.223 0.162 0.000 2.401 372 L HA 0.552 4.892 4.340 -0.000 0.000 0.266 372 L C 0.525 177.444 176.870 0.081 0.000 0.991 372 L CA -0.628 54.316 54.840 0.172 0.000 0.818 372 L CB 2.587 44.801 42.059 0.258 0.000 1.321 372 L HN 0.714 nan 8.230 nan 0.000 0.413 373 T N -2.963 111.619 114.554 0.046 0.000 2.766 373 T HA 0.068 4.418 4.350 -0.000 0.000 0.295 373 T C 0.903 175.531 174.700 -0.120 0.000 1.024 373 T CA -0.334 61.739 62.100 -0.044 0.000 1.018 373 T CB 1.274 70.126 68.868 -0.026 0.000 1.002 373 T HN 0.788 nan 8.240 nan 0.000 0.532 374 E N -0.060 120.011 120.200 -0.214 0.000 2.110 374 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 374 E C 1.991 178.514 176.600 -0.128 0.000 0.988 374 E CA 1.319 57.565 56.400 -0.257 0.000 0.804 374 E CB -0.034 29.501 29.700 -0.274 0.000 0.745 374 E HN 0.856 nan 8.360 nan 0.000 0.458 375 E N 0.009 120.157 120.200 -0.087 0.000 2.107 375 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 375 E C 1.792 178.372 176.600 -0.033 0.000 0.982 375 E CA 1.005 57.369 56.400 -0.060 0.000 0.809 375 E CB 0.162 29.824 29.700 -0.065 0.000 0.756 375 E HN 0.310 nan 8.360 nan 0.000 0.459 376 E N -0.007 120.188 120.200 -0.008 0.000 2.107 376 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 376 E C 2.159 178.902 176.600 0.238 0.000 0.982 376 E CA 0.491 56.937 56.400 0.077 0.000 0.809 376 E CB 0.063 29.841 29.700 0.131 0.000 0.756 376 E HN 0.122 nan 8.360 nan 0.000 0.459 377 R N 0.640 121.221 120.500 0.135 0.000 2.096 377 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 377 R C 2.253 178.618 176.300 0.108 0.000 1.127 377 R CA 1.064 57.247 56.100 0.138 0.000 0.968 377 R CB -0.130 30.189 30.300 0.033 0.000 0.861 377 R HN 0.095 nan 8.270 nan 0.000 0.440 378 R N -0.025 120.507 120.500 0.054 0.000 2.148 378 R HA 0.003 4.342 4.340 -0.000 0.000 0.223 378 R C 2.082 178.421 176.300 0.065 0.000 1.088 378 R CA 1.050 57.172 56.100 0.037 0.000 0.985 378 R CB -0.104 30.196 30.300 -0.000 0.000 0.880 378 R HN 0.161 nan 8.270 nan 0.000 0.451 379 A N 0.979 123.865 122.820 0.109 0.000 2.119 379 A HA 0.053 4.373 4.320 -0.000 0.000 0.216 379 A C 1.001 178.748 177.584 0.272 0.000 1.152 379 A CA 0.216 52.340 52.037 0.145 0.000 0.708 379 A CB 0.145 19.169 19.000 0.040 0.000 0.805 379 A HN 0.006 nan 8.150 nan 0.000 0.460 380 V N 1.885 121.959 119.914 0.267 0.000 2.715 380 V HA -0.012 4.108 4.120 -0.000 0.000 0.299 380 V C 0.755 176.838 176.094 -0.019 0.000 1.054 380 V CA -0.665 61.678 62.300 0.073 0.000 1.077 380 V CB 0.476 32.307 31.823 0.013 0.000 0.972 380 V HN 0.568 nan 8.190 nan 0.000 0.484 381 N N 5.900 124.532 118.700 -0.114 0.000 2.386 381 N HA -0.015 4.725 4.740 -0.000 0.000 0.273 381 N C -1.576 173.889 175.510 -0.073 0.000 1.331 381 N CA -0.907 52.089 53.050 -0.090 0.000 0.891 381 N CB 1.261 39.668 38.487 -0.134 0.000 1.139 381 N HN 0.369 nan 8.380 nan 0.000 0.487 382 P HA -0.090 nan 4.420 nan 0.000 0.219 382 P C 0.715 177.986 177.300 -0.047 0.000 1.146 382 P CA 1.012 64.091 63.100 -0.035 0.000 0.808 382 P CB 0.146 31.834 31.700 -0.019 0.000 0.779 383 A N -0.755 122.032 122.820 -0.055 0.000 2.172 383 A HA 0.040 4.359 4.320 -0.000 0.000 0.216 383 A C 1.212 178.751 177.584 -0.074 0.000 1.154 383 A CA 0.999 53.000 52.037 -0.060 0.000 0.701 383 A CB -1.210 17.752 19.000 -0.063 0.000 0.789 383 A HN 0.218 nan 8.150 nan 0.000 0.465 388 D N -0.381 120.044 120.400 0.042 0.000 2.133 388 D HA -0.112 4.528 4.640 -0.000 0.000 0.195 388 D C 1.151 177.530 176.300 0.132 0.000 0.997 388 D CA 2.202 56.258 54.000 0.094 0.000 0.840 388 D CB -0.442 40.391 40.800 0.056 0.000 0.947 388 D HN 0.664 nan 8.370 nan 0.000 0.452 389 T N 0.860 115.460 114.554 0.077 0.000 2.708 389 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 389 T C 2.052 176.787 174.700 0.059 0.000 1.037 389 T CA 0.369 62.504 62.100 0.059 0.000 1.146 389 T CB -0.320 68.567 68.868 0.032 0.000 0.865 389 T HN 0.125 nan 8.240 nan 0.000 0.435 390 L N -0.100 121.158 121.223 0.058 0.000 2.017 390 L HA -0.053 4.286 4.340 -0.000 0.000 0.208 390 L C 2.310 179.224 176.870 0.073 0.000 1.073 390 L CA 1.537 56.400 54.840 0.038 0.000 0.745 390 L CB -0.392 41.679 42.059 0.020 0.000 0.894 390 L HN 0.230 nan 8.230 nan 0.000 0.432 391 F N 1.308 121.243 119.950 -0.025 0.000 2.091 391 F HA -0.303 4.224 4.527 0.000 0.000 0.299 391 F C 2.401 178.199 175.800 -0.003 0.000 1.103 391 F CA 1.968 59.957 58.000 -0.018 0.000 1.228 391 F CB -0.418 38.573 39.000 -0.015 0.000 0.984 391 F HN 0.189 nan 8.300 nan 0.000 0.477 392 N N 0.574 119.284 118.700 0.018 0.000 2.188 392 N HA -0.119 4.620 4.740 -0.000 0.000 0.184 392 N C 2.012 177.474 175.510 -0.080 0.000 1.018 392 N CA 1.367 54.371 53.050 -0.076 0.000 0.858 392 N CB -0.785 37.724 38.487 0.037 0.000 0.989 392 N HN 0.424 nan 8.380 nan 0.000 0.426 393 A N 1.398 124.201 122.820 -0.029 0.000 1.877 393 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 393 A C 2.394 179.984 177.584 0.011 0.000 1.186 393 A CA 0.910 52.947 52.037 -0.001 0.000 0.620 393 A CB -0.732 18.267 19.000 -0.003 0.000 0.822 393 A HN 0.192 nan 8.150 nan 0.000 0.443 394 L N -0.308 120.886 121.223 -0.049 0.000 2.056 394 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 394 L C 2.319 179.183 176.870 -0.009 0.000 1.078 394 L CA 1.093 55.924 54.840 -0.016 0.000 0.749 394 L CB -0.662 41.349 42.059 -0.082 0.000 0.901 394 L HN 0.388 nan 8.230 nan 0.000 0.433 395 N N 0.096 118.671 118.700 -0.210 0.000 2.166 395 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 395 N C 1.396 176.844 175.510 -0.103 0.000 1.019 395 N CA 1.406 54.308 53.050 -0.246 0.000 0.856 395 N CB -0.242 37.982 38.487 -0.438 0.000 0.993 395 N HN 0.348 nan 8.380 nan 0.000 0.426 396 D N -0.274 120.103 120.400 -0.038 0.000 2.117 396 D HA -0.138 4.502 4.640 -0.000 0.000 0.198 396 D C 1.725 178.077 176.300 0.087 0.000 0.982 396 D CA 0.445 54.451 54.000 0.009 0.000 0.828 396 D CB -0.471 40.346 40.800 0.027 0.000 0.967 396 D HN 0.340 nan 8.370 nan 0.000 0.464 397 W N 1.812 123.102 121.300 -0.018 0.000 2.335 397 W HA -0.231 4.429 4.660 -0.000 0.000 0.311 397 W C 2.100 178.694 176.519 0.126 0.000 1.213 397 W CA 1.333 58.742 57.345 0.106 0.000 1.274 397 W CB -0.438 29.079 29.460 0.094 0.000 1.148 397 W HN -0.234 nan 8.180 nan 0.000 0.498 398 V N 0.974 120.905 119.914 0.029 0.000 2.295 398 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 398 V C 2.017 177.997 176.094 -0.191 0.000 1.049 398 V CA 2.435 64.527 62.300 -0.348 0.000 1.024 398 V CB -1.013 30.537 31.823 -0.455 0.000 0.648 398 V HN 0.043 nan 8.190 nan 0.000 0.447 399 D N -0.556 119.766 120.400 -0.129 0.000 2.218 399 D HA -0.164 4.476 4.640 -0.000 0.000 0.204 399 D C 2.264 178.487 176.300 -0.129 0.000 0.976 399 D CA 1.128 55.066 54.000 -0.103 0.000 0.853 399 D CB -0.209 40.538 40.800 -0.088 0.000 0.939 399 D HN 0.386 nan 8.370 nan 0.000 0.481 400 R N -0.782 119.603 120.500 -0.192 0.000 2.062 400 R HA -0.084 4.256 4.340 -0.000 0.000 0.226 400 R C 1.482 177.487 176.300 -0.492 0.000 1.125 400 R CA 1.003 56.877 56.100 -0.376 0.000 0.966 400 R CB -0.021 29.974 30.300 -0.508 0.000 0.861 400 R HN 0.228 nan 8.270 nan 0.000 0.433 401 Y N -1.714 118.448 120.300 -0.230 0.000 2.507 401 Y HA 0.187 4.737 4.550 -0.000 0.000 0.263 401 Y C -0.103 175.701 175.900 -0.161 0.000 1.093 401 Y CA -0.531 57.422 58.100 -0.245 0.000 1.285 401 Y CB 0.335 38.515 38.460 -0.467 0.000 1.115 401 Y HN -0.087 nan 8.280 nan 0.000 0.533 402 Y N 1.854 122.045 120.300 -0.181 0.000 2.319 402 Y HA 0.341 4.891 4.550 -0.000 0.000 0.328 402 Y C 0.563 176.402 175.900 -0.101 0.000 1.133 402 Y CA -1.390 56.626 58.100 -0.139 0.000 1.265 402 Y CB 0.458 38.839 38.460 -0.132 0.000 1.218 402 Y HN -0.126 nan 8.280 nan 0.000 0.508 403 R N 1.899 122.401 120.500 0.003 0.000 2.500 403 R HA 0.161 4.501 4.340 -0.000 0.000 0.275 403 R C 0.046 176.358 176.300 0.019 0.000 1.051 403 R CA -0.606 55.486 56.100 -0.013 0.000 1.088 403 R CB 0.780 31.048 30.300 -0.054 0.000 1.063 403 R HN 0.687 nan 8.270 nan 0.000 0.511 404 D N 1.191 121.594 120.400 0.004 0.000 2.333 404 D HA 0.016 4.656 4.640 -0.000 0.000 0.208 404 D C 0.061 176.362 176.300 0.002 0.000 0.984 404 D CA 1.013 55.018 54.000 0.009 0.000 0.873 404 D CB 0.486 41.285 40.800 -0.001 0.000 0.935 404 D HN 0.255 nan 8.370 nan 0.000 0.521 405 R N -0.129 120.365 120.500 -0.011 0.000 2.673 405 R HA 0.638 4.977 4.340 -0.000 0.000 0.281 405 R C -1.435 174.843 176.300 -0.037 0.000 0.991 405 R CA -0.636 55.453 56.100 -0.017 0.000 0.896 405 R CB 2.456 32.750 30.300 -0.009 0.000 1.201 405 R HN -0.119 nan 8.270 nan 0.000 0.457 406 L N 0.790 121.983 121.223 -0.050 0.000 2.545 406 L HA 0.631 4.971 4.340 -0.000 0.000 0.258 406 L C -1.336 175.490 176.870 -0.073 0.000 0.942 406 L CA -0.011 54.785 54.840 -0.074 0.000 0.855 406 L CB 2.632 44.634 42.059 -0.096 0.000 1.374 406 L HN 0.861 nan 8.230 nan 0.000 0.411 407 T N 0.448 114.961 114.554 -0.069 0.000 2.883 407 T HA 0.706 5.056 4.350 -0.000 0.000 0.296 407 T C 0.800 175.442 174.700 -0.096 0.000 1.117 407 T CA -0.136 61.939 62.100 -0.042 0.000 1.006 407 T CB 1.537 70.402 68.868 -0.004 0.000 1.191 407 T HN 0.870 nan 8.240 nan 0.000 0.508 408 A N 0.790 123.568 122.820 -0.070 0.000 1.978 408 A HA 0.192 4.512 4.320 -0.000 0.000 0.220 408 A C 2.512 180.022 177.584 -0.124 0.000 1.170 408 A CA 2.156 54.106 52.037 -0.145 0.000 0.636 408 A CB -1.490 17.493 19.000 -0.029 0.000 0.810 408 A HN 1.433 nan 8.150 nan 0.000 0.448 409 A N -0.133 122.645 122.820 -0.070 0.000 2.019 409 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 409 A C 1.590 179.128 177.584 -0.076 0.000 1.164 409 A CA 1.632 53.634 52.037 -0.058 0.000 0.644 409 A CB -0.409 18.571 19.000 -0.033 0.000 0.805 409 A HN 0.501 nan 8.150 nan 0.000 0.449 410 D N 0.019 120.363 120.400 -0.094 0.000 2.347 410 D HA -0.011 4.629 4.640 -0.000 0.000 0.215 410 D C 1.648 177.876 176.300 -0.119 0.000 0.976 410 D CA 0.467 54.409 54.000 -0.097 0.000 0.884 410 D CB -0.146 40.595 40.800 -0.098 0.000 0.915 410 D HN 0.493 nan 8.370 nan 0.000 0.526 411 L N 0.565 121.696 121.223 -0.153 0.000 2.353 411 L HA -0.070 4.270 4.340 -0.000 0.000 0.220 411 L C 2.261 179.063 176.870 -0.114 0.000 1.133 411 L CA 0.592 55.336 54.840 -0.160 0.000 0.798 411 L CB -0.312 41.619 42.059 -0.213 0.000 0.922 411 L HN -0.040 nan 8.230 nan 0.000 0.445 412 A N -1.610 121.153 122.820 -0.095 0.000 2.178 412 A HA -0.053 4.267 4.320 -0.000 0.000 0.211 412 A C 0.806 178.346 177.584 -0.072 0.000 1.157 412 A CA -0.020 51.969 52.037 -0.079 0.000 0.780 412 A CB -0.199 18.761 19.000 -0.066 0.000 0.828 412 A HN 0.208 nan 8.150 nan 0.000 0.476 413 D N 0.439 120.793 120.400 -0.076 0.000 2.358 413 D HA 0.168 4.808 4.640 -0.000 0.000 0.258 413 D C -1.686 174.571 176.300 -0.072 0.000 1.223 413 D CA -1.749 52.210 54.000 -0.068 0.000 0.886 413 D CB 1.236 41.994 40.800 -0.069 0.000 1.120 413 D HN 0.036 nan 8.370 nan 0.000 0.482 414 P HA -0.146 nan 4.420 nan 0.000 0.218 414 P C 1.251 178.510 177.300 -0.067 0.000 1.148 414 P CA 0.933 63.995 63.100 -0.063 0.000 0.822 414 P CB 0.276 31.946 31.700 -0.049 0.000 0.784 415 Q N -0.720 119.043 119.800 -0.061 0.000 2.119 415 Q HA -0.164 4.176 4.340 -0.000 0.000 0.201 415 Q C 1.974 177.928 176.000 -0.076 0.000 0.972 415 Q CA 1.011 56.778 55.803 -0.060 0.000 0.847 415 Q CB -0.587 28.120 28.738 -0.051 0.000 0.903 415 Q HN 0.121 nan 8.270 nan 0.000 0.433 416 L N 0.654 121.824 121.223 -0.088 0.000 2.046 416 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 416 L C 2.146 178.939 176.870 -0.128 0.000 1.077 416 L CA 1.428 56.202 54.840 -0.110 0.000 0.747 416 L CB -0.746 41.243 42.059 -0.116 0.000 0.896 416 L HN 0.345 nan 8.230 nan 0.000 0.432 417 L N -0.141 121.008 121.223 -0.122 0.000 1.989 417 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 417 L C 2.681 179.451 176.870 -0.168 0.000 1.071 417 L CA 1.880 56.634 54.840 -0.143 0.000 0.749 417 L CB -0.603 41.383 42.059 -0.122 0.000 0.890 417 L HN 0.259 nan 8.230 nan 0.000 0.431 418 R N -0.398 120.026 120.500 -0.127 0.000 2.081 418 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 418 R C 2.133 178.367 176.300 -0.111 0.000 1.131 418 R CA 1.730 57.761 56.100 -0.114 0.000 0.960 418 R CB -0.489 29.771 30.300 -0.067 0.000 0.856 418 R HN 0.551 nan 8.270 nan 0.000 0.436 419 E N -0.082 120.063 120.200 -0.092 0.000 2.077 419 E HA -0.132 4.217 4.350 -0.000 0.000 0.193 419 E C 2.186 178.690 176.600 -0.159 0.000 0.989 419 E CA 1.148 57.516 56.400 -0.053 0.000 0.800 419 E CB -0.219 29.457 29.700 -0.040 0.000 0.746 419 E HN 0.515 nan 8.360 nan 0.000 0.452 420 G N 1.326 109.994 108.800 -0.219 0.000 2.432 420 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 420 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 420 G C 1.625 176.316 174.900 -0.348 0.000 1.135 420 G CA 0.253 45.182 45.100 -0.284 0.000 0.767 420 G HN -0.001 nan 8.290 nan 0.000 0.550 421 R N 0.442 120.696 120.500 -0.409 0.000 2.066 421 R HA -0.002 4.338 4.340 -0.000 0.000 0.232 421 R C 2.312 178.440 176.300 -0.287 0.000 1.131 421 R CA 1.279 56.992 56.100 -0.646 0.000 0.955 421 R CB -0.952 28.964 30.300 -0.641 0.000 0.851 421 R HN 0.605 nan 8.270 nan 0.000 0.432 422 E N 0.566 120.664 120.200 -0.170 0.000 2.051 422 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 422 E C 1.879 178.364 176.600 -0.192 0.000 0.991 422 E CA 1.188 57.553 56.400 -0.058 0.000 0.799 422 E CB -0.018 29.709 29.700 0.044 0.000 0.748 422 E HN 0.260 nan 8.360 nan 0.000 0.449 423 A N 1.398 123.886 122.820 -0.552 0.000 1.873 423 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 423 A C 2.262 179.920 177.584 0.123 0.000 1.193 423 A CA 1.545 53.125 52.037 -0.762 0.000 0.629 423 A CB -0.875 17.578 19.000 -0.911 0.000 0.826 423 A HN 0.355 nan 8.150 nan 0.000 0.447 424 L N -0.806 120.464 121.223 0.078 0.000 2.083 424 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 424 L C 2.394 179.437 176.870 0.289 0.000 1.083 424 L CA 1.579 56.515 54.840 0.159 0.000 0.752 424 L CB -0.585 41.416 42.059 -0.097 0.000 0.899 424 L HN 0.418 nan 8.230 nan 0.000 0.433 425 D N -0.116 120.477 120.400 0.322 0.000 2.117 425 D HA -0.131 4.509 4.640 -0.000 0.000 0.198 425 D C 2.188 178.596 176.300 0.180 0.000 0.982 425 D CA 1.022 55.197 54.000 0.292 0.000 0.828 425 D CB 0.240 41.217 40.800 0.294 0.000 0.967 425 D HN 0.048 nan 8.370 nan 0.000 0.464 426 V N 0.878 120.900 119.914 0.179 0.000 2.358 426 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 426 V C 2.589 178.727 176.094 0.073 0.000 1.047 426 V CA 0.974 63.381 62.300 0.178 0.000 1.035 426 V CB -0.375 31.637 31.823 0.315 0.000 0.658 426 V HN 0.189 nan 8.190 nan 0.000 0.452 427 L N 1.132 122.355 121.223 -0.000 0.000 2.083 427 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 427 L C 2.723 179.513 176.870 -0.133 0.000 1.083 427 L CA 2.383 57.025 54.840 -0.330 0.000 0.752 427 L CB -0.681 41.033 42.059 -0.575 0.000 0.899 427 L HN 0.523 nan 8.230 nan 0.000 0.433 428 S N -1.803 113.914 115.700 0.028 0.000 2.419 428 S HA -0.241 4.229 4.470 -0.000 0.000 0.233 428 S C 1.838 176.423 174.600 -0.026 0.000 1.016 428 S CA 1.243 59.456 58.200 0.021 0.000 0.974 428 S CB -0.474 62.779 63.200 0.087 0.000 0.786 428 S HN 0.652 nan 8.310 nan 0.000 0.492 429 Q N 0.231 120.025 119.800 -0.009 0.000 2.062 429 Q HA 0.179 4.518 4.340 -0.000 0.000 0.196 429 Q C 2.230 178.208 176.000 -0.036 0.000 0.967 429 Q CA 1.094 56.890 55.803 -0.011 0.000 0.832 429 Q CB -0.361 28.390 28.738 0.021 0.000 0.899 429 Q HN 0.495 nan 8.270 nan 0.000 0.442 430 L N 0.574 121.761 121.223 -0.059 0.000 2.042 430 L HA -0.140 4.199 4.340 -0.000 0.000 0.210 430 L C 1.562 178.375 176.870 -0.095 0.000 1.076 430 L CA 1.751 56.541 54.840 -0.082 0.000 0.749 430 L CB -0.167 41.809 42.059 -0.139 0.000 0.893 430 L HN 0.194 nan 8.230 nan 0.000 0.432 431 L N -0.427 120.725 121.223 -0.117 0.000 2.612 431 L HA 0.105 4.445 4.340 -0.000 0.000 0.230 431 L C 0.589 177.406 176.870 -0.088 0.000 1.140 431 L CA 0.133 54.908 54.840 -0.109 0.000 0.896 431 L CB -0.708 41.275 42.059 -0.127 0.000 1.065 431 L HN 0.437 nan 8.230 nan 0.000 0.447 432 N N 0.755 119.411 118.700 -0.073 0.000 2.696 432 N HA -0.217 4.523 4.740 -0.000 0.000 0.256 432 N C 0.294 175.757 175.510 -0.079 0.000 1.031 432 N CA 0.439 53.451 53.050 -0.063 0.000 0.730 432 N CB -0.911 37.544 38.487 -0.054 0.000 0.894 432 N HN 0.345 nan 8.380 nan 0.000 0.544 433 L N -0.893 120.275 121.223 -0.093 0.000 2.638 433 L HA 0.379 4.719 4.340 -0.000 0.000 0.232 433 L C 1.703 178.497 176.870 -0.126 0.000 1.099 433 L CA 0.238 55.004 54.840 -0.124 0.000 0.883 433 L CB -0.214 41.745 42.059 -0.167 0.000 1.136 433 L HN 0.528 nan 8.230 nan 0.000 0.492 434 G N 0.406 109.149 108.800 -0.095 0.000 2.645 434 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.239 434 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.239 434 G C -0.049 174.781 174.900 -0.117 0.000 1.331 434 G CA -0.207 44.840 45.100 -0.089 0.000 0.890 434 G HN 0.111 nan 8.290 nan 0.000 0.572 435 S N 0.163 115.793 115.700 -0.117 0.000 3.900 435 S HA 0.295 4.765 4.470 -0.000 0.000 0.248 435 S C 1.303 175.787 174.600 -0.194 0.000 1.310 435 S CA 0.405 58.515 58.200 -0.151 0.000 0.915 435 S CB 0.897 64.022 63.200 -0.126 0.000 1.588 435 S HN 1.270 nan 8.310 nan 0.000 0.472 436 V N 2.827 122.566 119.914 -0.292 0.000 3.052 436 V HA 0.161 4.280 4.120 -0.000 0.000 0.254 436 V C -0.273 175.555 176.094 -0.445 0.000 1.100 436 V CA 0.806 62.862 62.300 -0.406 0.000 1.112 436 V CB -0.113 31.371 31.823 -0.565 0.000 0.738 436 V HN 0.675 nan 8.190 nan 0.000 0.469 437 Y N 0.089 120.288 120.300 -0.168 0.000 2.376 437 Y HA 0.379 4.928 4.550 -0.000 0.000 0.325 437 Y C -1.156 174.667 175.900 -0.130 0.000 1.199 437 Y CA -2.177 55.855 58.100 -0.114 0.000 1.206 437 Y CB 0.470 38.918 38.460 -0.019 0.000 1.229 437 Y HN -0.028 nan 8.280 nan 0.000 0.480 438 P HA -0.254 nan 4.420 nan 0.000 0.215 438 P C 1.420 178.788 177.300 0.112 0.000 1.157 438 P CA 1.792 64.999 63.100 0.177 0.000 0.874 438 P CB -0.108 31.791 31.700 0.331 0.000 0.790 439 F N -0.017 120.010 119.950 0.128 0.000 2.333 439 F HA -0.107 4.420 4.527 -0.000 0.000 0.300 439 F C 1.573 177.411 175.800 0.065 0.000 1.083 439 F CA 1.063 59.100 58.000 0.062 0.000 1.395 439 F CB -1.522 37.499 39.000 0.036 0.000 1.056 439 F HN -0.053 nan 8.300 nan 0.000 0.529 440 Q N 0.354 119.707 119.800 -0.745 0.000 2.403 440 Q HA 0.163 4.503 4.340 -0.000 0.000 0.203 440 Q C 0.415 176.288 176.000 -0.213 0.000 0.932 440 Q CA 0.114 55.586 55.803 -0.551 0.000 0.945 440 Q CB 0.212 28.584 28.738 -0.610 0.000 1.045 440 Q HN 0.465 nan 8.270 nan 0.000 0.511 441 R N 0.000 120.423 120.500 -0.129 0.000 2.786 441 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 441 R CA 0.000 56.063 56.100 -0.062 0.000 0.921 441 R CB 0.000 30.275 30.300 -0.042 0.000 0.687 441 R HN 0.000 nan 8.270 nan 0.000 0.535