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 3fu6_1_A DATA FIRST_RESID 4 DATA SEQUENCE VDTCSLASPA SVCRTKHLHL RCSVDFTRRT LTGTAALTVQ SQEDNLRSLV DATA SEQUENCE LDTKDLTIEK VVINGQEVKY ALGERQSYKG SPMEISLPIA LSKNQEIVIE DATA SEQUENCE ISFETSPKSS ALQWLTPEQT SGKEHPYLFS QCQAIHCRAI LPCQDTPSVK DATA SEQUENCE LTYTAEVSVP KELVALMSAI RDGETPDPED PSRKIYKFIQ KVPIPCYLIA DATA SEQUENCE LVVGALESRQ IGPRTLVWSE KEQVEKSAYE FSETESMLKI AEDLGGPYVW DATA SEQUENCE GQYDLLVLPP SFPYGGMENP CLTFVTPTLL AGDKSLSNVI AHEISHSWTG DATA SEQUENCE NLVTNKTWDH FWLNEGHTVY LERHICGRLF GEKFRHFNAL GGWGELQNSV DATA SEQUENCE KTFGETHPFT KLVVDLTDID PDVAYSSVPY EKGFALLFYL EQLLGGPEIF DATA SEQUENCE LGFLKAYVEK FSYKSITTDD WKDFLYSYFK DKVDVLNQVD WNAWLYSPGL DATA SEQUENCE PPIKPNYDMT LTNACIALSQ RWITAKEDDL NSFNATDLKD LSSHQLNEFL DATA SEQUENCE AQTLQRAPLP LGHIKRMQEV YNFNAINNSE IRFRWLRLCI QSKWEDAIPL DATA SEQUENCE ALKMATEQGR MKFTRPLFKD LAAFDKSHDQ AVRTYQEHKA SMHPVTAMLV DATA SEQUENCE GKDLKV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.127 176.094 0.055 0.000 1.182 4 V CA 0.000 62.326 62.300 0.044 0.000 1.235 4 V CB 0.000 31.845 31.823 0.037 0.000 1.184 5 D N 2.230 122.657 120.400 0.045 0.000 2.428 5 D HA 0.358 4.992 4.640 -0.009 0.000 0.221 5 D C 1.397 177.740 176.300 0.072 0.000 1.123 5 D CA 0.555 54.588 54.000 0.055 0.000 0.869 5 D CB 1.778 42.598 40.800 0.033 0.000 1.032 5 D HN 1.031 nan 8.370 nan 0.000 0.506 6 T N -0.185 114.422 114.554 0.088 0.000 3.163 6 T HA -0.059 4.285 4.350 -0.009 0.000 0.260 6 T C 1.622 176.389 174.700 0.112 0.000 1.156 6 T CA 0.163 62.317 62.100 0.089 0.000 1.072 6 T CB -0.421 68.501 68.868 0.090 0.000 0.937 6 T HN 0.403 nan 8.240 nan 0.000 0.528 7 C N 1.025 120.411 119.300 0.144 0.000 2.799 7 C HA 0.487 4.942 4.460 -0.009 0.000 0.267 7 C C 1.359 176.415 174.990 0.111 0.000 1.257 7 C CA -0.595 58.525 59.018 0.170 0.000 1.702 7 C CB -0.837 27.057 27.740 0.257 0.000 1.934 7 C HN 0.627 nan 8.230 nan 0.000 0.594 8 S N -0.114 115.636 115.700 0.084 0.000 2.501 8 S HA 0.634 5.098 4.470 -0.009 0.000 0.301 8 S C 0.236 174.848 174.600 0.020 0.000 1.096 8 S CA -0.533 57.697 58.200 0.050 0.000 1.063 8 S CB 0.705 63.939 63.200 0.057 0.000 1.042 8 S HN 0.406 nan 8.310 nan 0.000 0.494 9 L N 2.774 123.998 121.223 0.001 0.000 2.640 9 L HA 0.396 4.731 4.340 -0.009 0.000 0.230 9 L C 1.210 178.080 176.870 -0.001 0.000 1.123 9 L CA -0.213 54.623 54.840 -0.007 0.000 0.900 9 L CB -0.440 41.605 42.059 -0.023 0.000 1.146 9 L HN 0.676 nan 8.230 nan 0.000 0.484 10 A N 0.049 122.872 122.820 0.004 0.000 2.313 10 A HA 0.405 4.719 4.320 -0.009 0.000 0.261 10 A C 0.585 178.173 177.584 0.007 0.000 1.090 10 A CA -0.208 51.831 52.037 0.003 0.000 0.807 10 A CB 0.298 19.299 19.000 0.001 0.000 1.055 10 A HN 0.174 nan 8.150 nan 0.000 0.492 11 S N 2.554 118.258 115.700 0.007 0.000 2.546 11 S HA 0.258 4.723 4.470 -0.009 0.000 0.290 11 S C -2.026 172.579 174.600 0.009 0.000 1.290 11 S CA -0.431 57.773 58.200 0.008 0.000 1.069 11 S CB -0.188 63.017 63.200 0.008 0.000 0.846 11 S HN 0.622 nan 8.310 nan 0.000 0.495 12 P HA 0.192 nan 4.420 nan 0.000 0.274 12 P C 0.438 177.742 177.300 0.007 0.000 1.256 12 P CA -0.405 62.700 63.100 0.009 0.000 0.795 12 P CB 0.518 32.225 31.700 0.011 0.000 1.038 13 A N 1.347 124.169 122.820 0.004 0.000 2.076 13 A HA -0.176 4.138 4.320 -0.009 0.000 0.220 13 A C 2.107 179.694 177.584 0.005 0.000 1.160 13 A CA 2.185 54.224 52.037 0.003 0.000 0.653 13 A CB -1.694 17.306 19.000 -0.001 0.000 0.801 13 A HN 0.654 nan 8.150 nan 0.000 0.455 14 S N -1.049 114.654 115.700 0.006 0.000 2.481 14 S HA -0.004 4.461 4.470 -0.009 0.000 0.231 14 S C 1.512 176.116 174.600 0.007 0.000 0.996 14 S CA 1.148 59.352 58.200 0.007 0.000 0.942 14 S CB -0.270 62.935 63.200 0.009 0.000 0.768 14 S HN 0.240 nan 8.310 nan 0.000 0.520 15 V N 1.001 120.919 119.914 0.008 0.000 2.521 15 V HA 0.222 4.336 4.120 -0.009 0.000 0.239 15 V C 1.227 177.326 176.094 0.008 0.000 1.053 15 V CA 0.774 63.079 62.300 0.008 0.000 1.073 15 V CB -0.096 31.732 31.823 0.009 0.000 0.746 15 V HN 0.921 nan 8.190 nan 0.000 0.476 16 C N -0.496 118.809 119.300 0.008 0.000 3.285 16 C HA 0.782 5.236 4.460 -0.009 0.000 0.325 16 C C -0.937 174.058 174.990 0.008 0.000 1.304 16 C CA -1.297 57.726 59.018 0.008 0.000 1.319 16 C CB 1.624 29.370 27.740 0.009 0.000 1.640 16 C HN 0.420 nan 8.230 nan 0.000 0.477 17 R N 0.894 121.400 120.500 0.010 0.000 2.532 17 R HA 0.620 4.954 4.340 -0.009 0.000 0.297 17 R C -0.840 175.470 176.300 0.016 0.000 0.984 17 R CA -0.297 55.809 56.100 0.011 0.000 0.884 17 R CB 2.265 32.571 30.300 0.009 0.000 1.182 17 R HN 0.853 nan 8.270 nan 0.000 0.442 18 T N 3.829 118.392 114.554 0.016 0.000 2.799 18 T HA 0.083 4.427 4.350 -0.009 0.000 0.296 18 T C 1.028 175.751 174.700 0.038 0.000 0.947 18 T CA -0.310 61.805 62.100 0.024 0.000 1.141 18 T CB 0.770 69.645 68.868 0.011 0.000 0.891 18 T HN 0.259 nan 8.240 nan 0.000 0.533 19 K N 1.730 122.166 120.400 0.059 0.000 2.202 19 K HA 0.123 4.437 4.320 -0.009 0.000 0.201 19 K C 0.590 177.283 176.600 0.155 0.000 1.051 19 K CA 0.812 57.147 56.287 0.080 0.000 0.977 19 K CB 0.107 32.647 32.500 0.066 0.000 0.792 19 K HN 0.739 nan 8.250 nan 0.000 0.469 20 H N -1.265 117.830 119.070 0.042 0.000 3.046 20 H HA 0.465 5.015 4.556 -0.009 0.000 0.363 20 H C -1.986 173.394 175.328 0.087 0.000 1.203 20 H CA -1.020 55.072 56.048 0.073 0.000 1.169 20 H CB 1.369 31.170 29.762 0.066 0.000 1.851 20 H HN -0.084 nan 8.280 nan 0.000 0.546 21 L N 4.100 125.100 121.223 -0.371 0.000 2.356 21 L HA 0.383 4.717 4.340 -0.009 0.000 0.277 21 L C -1.472 175.277 176.870 -0.202 0.000 0.996 21 L CA -0.362 54.368 54.840 -0.183 0.000 0.822 21 L CB 1.276 43.243 42.059 -0.154 0.000 1.256 21 L HN 0.804 nan 8.230 nan 0.000 0.413 22 H N 5.770 124.841 119.070 0.003 0.000 2.581 22 H HA 0.388 4.939 4.556 -0.009 0.000 0.308 22 H C -1.547 173.837 175.328 0.093 0.000 1.040 22 H CA -0.730 55.379 56.048 0.101 0.000 1.231 22 H CB 1.687 31.566 29.762 0.195 0.000 1.396 22 H HN 0.681 nan 8.280 nan 0.000 0.467 23 L N 6.202 127.230 121.223 -0.325 0.000 2.282 23 L HA 0.389 4.723 4.340 -0.009 0.000 0.288 23 L C -0.557 176.148 176.870 -0.275 0.000 1.033 23 L CA -0.386 54.344 54.840 -0.185 0.000 0.807 23 L CB 1.012 43.016 42.059 -0.091 0.000 1.209 23 L HN 0.607 nan 8.230 nan 0.000 0.423 24 R N 5.436 125.865 120.500 -0.118 0.000 2.422 24 R HA 0.660 4.995 4.340 -0.009 0.000 0.307 24 R C -1.343 174.936 176.300 -0.035 0.000 1.004 24 R CA -0.402 55.663 56.100 -0.058 0.000 0.882 24 R CB 0.689 31.000 30.300 0.019 0.000 1.164 24 R HN 0.958 nan 8.270 nan 0.000 0.489 25 C N 0.109 119.397 119.300 -0.020 0.000 3.236 25 C HA 0.820 5.274 4.460 -0.009 0.000 0.312 25 C C -0.624 174.358 174.990 -0.014 0.000 1.374 25 C CA -0.948 58.038 59.018 -0.053 0.000 1.455 25 C CB 1.797 29.510 27.740 -0.045 0.000 1.834 25 C HN 0.676 nan 8.230 nan 0.000 0.460 26 S N 0.106 115.786 115.700 -0.034 0.000 2.521 26 S HA 0.719 5.183 4.470 -0.009 0.000 0.295 26 S C -1.126 173.476 174.600 0.004 0.000 1.098 26 S CA -0.343 57.859 58.200 0.003 0.000 0.999 26 S CB 1.349 64.548 63.200 -0.002 0.000 1.034 26 S HN 1.041 nan 8.310 nan 0.000 0.483 27 V N 4.755 124.685 119.914 0.027 0.000 2.334 27 V HA 0.343 4.457 4.120 -0.009 0.000 0.267 27 V C -0.182 175.916 176.094 0.007 0.000 1.040 27 V CA -0.622 61.675 62.300 -0.005 0.000 0.866 27 V CB 1.067 32.827 31.823 -0.105 0.000 1.019 27 V HN 0.846 nan 8.190 nan 0.000 0.468 28 D N 4.050 124.449 120.400 -0.002 0.000 2.467 28 D HA 0.276 4.910 4.640 -0.009 0.000 0.220 28 D C 0.636 176.866 176.300 -0.118 0.000 1.103 28 D CA -0.366 53.621 54.000 -0.021 0.000 0.886 28 D CB 0.795 41.560 40.800 -0.058 0.000 1.025 28 D HN 0.366 nan 8.370 nan 0.000 0.514 29 F N 0.943 120.953 119.950 0.100 0.000 2.293 29 F HA -0.133 4.389 4.527 -0.009 0.000 0.300 29 F C 2.697 178.450 175.800 -0.079 0.000 1.086 29 F CA 1.269 59.320 58.000 0.084 0.000 1.375 29 F CB -0.217 38.904 39.000 0.202 0.000 1.045 29 F HN 0.386 nan 8.300 nan 0.000 0.516 30 T N -1.730 112.877 114.554 0.089 0.000 2.857 30 T HA -0.128 4.217 4.350 -0.009 0.000 0.266 30 T C 1.882 176.521 174.700 -0.102 0.000 1.048 30 T CA 0.955 63.060 62.100 0.008 0.000 1.139 30 T CB -0.281 68.599 68.868 0.020 0.000 0.874 30 T HN 0.254 nan 8.240 nan 0.000 0.455 31 R N 0.524 120.920 120.500 -0.175 0.000 2.312 31 R HA 0.363 4.697 4.340 -0.009 0.000 0.205 31 R C 0.345 176.367 176.300 -0.463 0.000 0.904 31 R CA -0.280 55.675 56.100 -0.242 0.000 1.052 31 R CB 0.093 30.288 30.300 -0.175 0.000 1.014 31 R HN 0.295 nan 8.270 nan 0.000 0.503 32 R N 1.294 121.322 120.500 -0.788 0.000 3.333 32 R HA -0.140 4.195 4.340 -0.009 0.000 0.256 32 R C -0.683 174.815 176.300 -1.336 0.000 1.010 32 R CA 1.158 56.154 56.100 -1.840 0.000 0.680 32 R CB -2.249 27.126 30.300 -1.542 0.000 1.102 32 R HN 0.380 nan 8.270 nan 0.000 0.440 33 T N -2.508 111.639 114.554 -0.678 0.000 2.893 33 T HA 0.649 4.994 4.350 -0.009 0.000 0.291 33 T C -0.144 174.611 174.700 0.092 0.000 1.028 33 T CA -1.108 60.905 62.100 -0.145 0.000 0.995 33 T CB 2.484 71.276 68.868 -0.126 0.000 1.051 33 T HN 0.223 nan 8.240 nan 0.000 0.470 34 L N 2.112 123.443 121.223 0.180 0.000 2.282 34 L HA 0.700 5.034 4.340 -0.009 0.000 0.288 34 L C -0.697 176.139 176.870 -0.058 0.000 1.033 34 L CA -0.111 54.786 54.840 0.094 0.000 0.807 34 L CB 1.430 43.572 42.059 0.138 0.000 1.209 34 L HN 0.924 nan 8.230 nan 0.000 0.423 35 T N 3.921 118.374 114.554 -0.168 0.000 2.848 35 T HA 0.857 5.202 4.350 -0.009 0.000 0.285 35 T C -0.044 174.398 174.700 -0.428 0.000 0.995 35 T CA -0.088 61.819 62.100 -0.322 0.000 0.970 35 T CB 1.734 70.492 68.868 -0.183 0.000 0.976 35 T HN 0.978 nan 8.240 nan 0.000 0.441 36 G N 1.699 110.062 108.800 -0.727 0.000 2.452 36 G HA2 0.503 4.457 3.960 -0.009 0.000 0.224 36 G HA3 0.503 4.457 3.960 -0.009 0.000 0.224 36 G C -1.087 173.505 174.900 -0.514 0.000 1.208 36 G CA -0.139 44.661 45.100 -0.499 0.000 0.946 36 G HN 0.962 nan 8.290 nan 0.000 0.481 37 T N -2.001 112.457 114.554 -0.160 0.000 2.861 37 T HA 0.794 5.138 4.350 -0.009 0.000 0.287 37 T C -0.386 174.480 174.700 0.277 0.000 1.003 37 T CA 0.259 62.414 62.100 0.092 0.000 0.977 37 T CB 1.881 70.790 68.868 0.069 0.000 0.996 37 T HN 1.969 nan 8.240 nan 0.000 0.448 38 A N 2.204 125.241 122.820 0.361 0.000 2.277 38 A HA 0.792 5.106 4.320 -0.009 0.000 0.318 38 A C 0.362 178.011 177.584 0.109 0.000 1.339 38 A CA -0.885 51.260 52.037 0.181 0.000 0.875 38 A CB 0.007 19.015 19.000 0.014 0.000 1.158 38 A HN 1.396 nan 8.150 nan 0.000 0.514 39 A N 3.814 126.709 122.820 0.124 0.000 2.316 39 A HA 0.601 4.915 4.320 -0.009 0.000 0.311 39 A C -0.279 177.372 177.584 0.110 0.000 1.339 39 A CA -0.247 51.867 52.037 0.128 0.000 0.960 39 A CB -0.278 18.832 19.000 0.184 0.000 1.152 39 A HN 0.802 nan 8.150 nan 0.000 0.547 40 L N 2.963 124.226 121.223 0.067 0.000 2.257 40 L HA 0.300 4.635 4.340 -0.009 0.000 0.290 40 L C 0.161 177.074 176.870 0.072 0.000 1.044 40 L CA -0.303 54.569 54.840 0.053 0.000 0.810 40 L CB 1.373 43.440 42.059 0.013 0.000 1.193 40 L HN 0.574 nan 8.230 nan 0.000 0.425 41 T N 3.266 117.883 114.554 0.105 0.000 2.729 41 T HA 0.364 4.709 4.350 -0.009 0.000 0.296 41 T C 0.061 174.800 174.700 0.064 0.000 0.928 41 T CA -0.277 61.877 62.100 0.091 0.000 1.045 41 T CB 0.958 69.899 68.868 0.121 0.000 0.902 41 T HN 0.200 nan 8.240 nan 0.000 0.500 42 V N 4.351 124.290 119.914 0.041 0.000 2.540 42 V HA 0.432 4.546 4.120 -0.009 0.000 0.302 42 V C -0.052 176.055 176.094 0.022 0.000 1.035 42 V CA -0.953 61.364 62.300 0.029 0.000 0.873 42 V CB 1.864 33.700 31.823 0.022 0.000 0.992 42 V HN 0.793 nan 8.190 nan 0.000 0.428 43 Q N 2.588 122.399 119.800 0.018 0.000 2.307 43 Q HA 0.458 4.793 4.340 -0.009 0.000 0.262 43 Q C -0.179 175.827 176.000 0.010 0.000 0.961 43 Q CA -0.229 55.581 55.803 0.012 0.000 0.882 43 Q CB 1.669 30.413 28.738 0.009 0.000 1.264 43 Q HN 0.788 nan 8.270 nan 0.000 0.446 44 S N 2.653 118.358 115.700 0.008 0.000 2.549 44 S HA 0.058 4.523 4.470 -0.009 0.000 0.279 44 S C 0.367 174.971 174.600 0.006 0.000 1.321 44 S CA -0.126 58.079 58.200 0.008 0.000 1.054 44 S CB 0.653 63.857 63.200 0.007 0.000 0.899 44 S HN 0.709 nan 8.310 nan 0.000 0.497 45 Q N 2.402 122.205 119.800 0.006 0.000 2.219 45 Q HA 0.356 4.691 4.340 -0.009 0.000 0.209 45 Q C -0.385 175.618 176.000 0.005 0.000 0.854 45 Q CA 0.307 56.113 55.803 0.005 0.000 0.960 45 Q CB 0.495 29.236 28.738 0.005 0.000 1.116 45 Q HN 0.706 nan 8.270 nan 0.000 0.500 46 E N 0.400 120.603 120.200 0.006 0.000 2.340 46 E HA 0.222 4.567 4.350 -0.009 0.000 0.273 46 E C -1.426 175.178 176.600 0.005 0.000 0.891 46 E CA -0.654 55.749 56.400 0.006 0.000 0.757 46 E CB 1.821 31.525 29.700 0.007 0.000 1.231 46 E HN -0.072 nan 8.360 nan 0.000 0.439 47 D N 0.799 121.202 120.400 0.005 0.000 2.372 47 D HA 0.013 4.647 4.640 -0.009 0.000 0.243 47 D C 0.099 176.403 176.300 0.005 0.000 1.121 47 D CA 0.502 54.505 54.000 0.004 0.000 0.898 47 D CB 0.415 41.217 40.800 0.004 0.000 1.202 47 D HN 0.473 nan 8.370 nan 0.000 0.428 48 N N 1.305 120.008 118.700 0.005 0.000 2.725 48 N HA -0.220 4.514 4.740 -0.009 0.000 0.251 48 N C -1.329 174.185 175.510 0.007 0.000 1.031 48 N CA 0.178 53.232 53.050 0.006 0.000 0.720 48 N CB -1.142 37.349 38.487 0.005 0.000 0.930 48 N HN 0.390 nan 8.380 nan 0.000 0.543 49 L N 0.569 121.797 121.223 0.008 0.000 2.361 49 L HA 0.327 4.661 4.340 -0.009 0.000 0.278 49 L C 1.286 178.163 176.870 0.011 0.000 1.113 49 L CA 0.452 55.297 54.840 0.010 0.000 0.849 49 L CB 0.635 42.700 42.059 0.010 0.000 1.155 49 L HN 0.270 nan 8.230 nan 0.000 0.452 50 R N 1.911 122.418 120.500 0.012 0.000 2.469 50 R HA 0.281 4.615 4.340 -0.009 0.000 0.250 50 R C -0.357 175.954 176.300 0.018 0.000 0.909 50 R CA 0.471 56.579 56.100 0.014 0.000 1.050 50 R CB 0.494 30.801 30.300 0.012 0.000 1.256 50 R HN 0.781 nan 8.270 nan 0.000 0.550 51 S N 0.247 115.957 115.700 0.018 0.000 2.596 51 S HA 0.686 5.151 4.470 -0.009 0.000 0.270 51 S C -1.191 173.421 174.600 0.020 0.000 1.155 51 S CA -1.069 57.145 58.200 0.022 0.000 0.827 51 S CB 1.896 65.109 63.200 0.022 0.000 1.130 51 S HN 0.108 nan 8.310 nan 0.000 0.467 52 L N -1.672 119.565 121.223 0.023 0.000 2.568 52 L HA 0.989 5.323 4.340 -0.009 0.000 0.257 52 L C -1.651 175.231 176.870 0.020 0.000 1.024 52 L CA -0.997 53.853 54.840 0.018 0.000 0.854 52 L CB 1.305 43.373 42.059 0.015 0.000 1.460 52 L HN 0.560 nan 8.230 nan 0.000 0.409 53 V N 1.722 121.644 119.914 0.014 0.000 2.604 53 V HA 0.647 4.761 4.120 -0.009 0.000 0.305 53 V C -0.192 175.903 176.094 0.002 0.000 1.043 53 V CA -0.419 61.888 62.300 0.012 0.000 0.888 53 V CB 1.602 33.431 31.823 0.011 0.000 0.995 53 V HN 0.706 nan 8.190 nan 0.000 0.429 54 L N 2.353 123.574 121.223 -0.004 0.000 2.319 54 L HA 0.623 4.957 4.340 -0.009 0.000 0.267 54 L C -0.364 176.492 176.870 -0.024 0.000 1.011 54 L CA -0.854 53.974 54.840 -0.021 0.000 0.818 54 L CB 1.918 43.953 42.059 -0.040 0.000 1.316 54 L HN 0.526 nan 8.230 nan 0.000 0.432 55 D N 1.169 121.550 120.400 -0.030 0.000 2.345 55 D HA 0.364 4.999 4.640 -0.009 0.000 0.247 55 D C -0.110 176.158 176.300 -0.053 0.000 1.108 55 D CA 0.356 54.336 54.000 -0.033 0.000 0.894 55 D CB 1.811 42.596 40.800 -0.025 0.000 1.203 55 D HN 0.640 nan 8.370 nan 0.000 0.430 56 T N -1.275 113.252 114.554 -0.045 0.000 2.843 56 T HA 0.571 4.916 4.350 -0.009 0.000 0.302 56 T C -0.799 173.881 174.700 -0.032 0.000 1.232 56 T CA -1.057 61.011 62.100 -0.053 0.000 1.009 56 T CB 2.624 71.465 68.868 -0.046 0.000 1.254 56 T HN 0.283 nan 8.240 nan 0.000 0.504 57 K N 1.026 121.413 120.400 -0.022 0.000 2.652 57 K HA 0.337 4.651 4.320 -0.009 0.000 0.249 57 K C -1.087 175.523 176.600 0.017 0.000 0.986 57 K CA -0.466 55.821 56.287 0.001 0.000 0.867 57 K CB 0.792 33.300 32.500 0.013 0.000 1.201 57 K HN 0.807 nan 8.250 nan 0.000 0.450 58 D N 2.568 122.981 120.400 0.021 0.000 2.723 58 D HA -0.207 4.427 4.640 -0.009 0.000 0.236 58 D C -0.496 175.829 176.300 0.041 0.000 1.138 58 D CA 1.060 55.078 54.000 0.030 0.000 0.676 58 D CB -0.716 40.105 40.800 0.034 0.000 1.069 58 D HN 0.439 nan 8.370 nan 0.000 0.430 59 L N 0.013 121.259 121.223 0.038 0.000 2.334 59 L HA 0.381 4.716 4.340 -0.009 0.000 0.275 59 L C 0.871 177.784 176.870 0.072 0.000 1.036 59 L CA -0.451 54.428 54.840 0.064 0.000 0.807 59 L CB 1.788 43.865 42.059 0.030 0.000 1.231 59 L HN -0.210 nan 8.230 nan 0.000 0.438 60 T N 3.711 118.322 114.554 0.095 0.000 2.743 60 T HA 0.453 4.797 4.350 -0.009 0.000 0.292 60 T C -0.004 174.755 174.700 0.098 0.000 0.972 60 T CA -0.390 61.759 62.100 0.081 0.000 0.967 60 T CB 0.728 69.630 68.868 0.056 0.000 0.926 60 T HN 0.154 nan 8.240 nan 0.000 0.459 61 I N 3.460 124.082 120.570 0.086 0.000 2.342 61 I HA 0.256 4.420 4.170 -0.009 0.000 0.291 61 I C 1.389 177.544 176.117 0.063 0.000 1.010 61 I CA -0.408 60.912 61.300 0.034 0.000 1.308 61 I CB 1.307 39.242 38.000 -0.110 0.000 1.400 61 I HN 0.802 nan 8.210 nan 0.000 0.488 62 E N 6.825 127.044 120.200 0.031 0.000 2.102 62 E HA 0.016 4.360 4.350 -0.009 0.000 0.190 62 E C 0.023 176.667 176.600 0.074 0.000 0.971 62 E CA 0.766 57.198 56.400 0.052 0.000 0.821 62 E CB 0.641 30.352 29.700 0.018 0.000 0.777 62 E HN 0.710 nan 8.360 nan 0.000 0.460 63 K N -1.562 118.832 120.400 -0.010 0.000 2.711 63 K HA 0.409 4.724 4.320 -0.009 0.000 0.294 63 K C -1.671 174.860 176.600 -0.115 0.000 1.037 63 K CA -0.918 55.375 56.287 0.009 0.000 0.858 63 K CB 1.668 34.208 32.500 0.065 0.000 1.521 63 K HN -0.102 nan 8.250 nan 0.000 0.386 64 V N 1.242 121.121 119.914 -0.057 0.000 2.525 64 V HA 0.421 4.535 4.120 -0.009 0.000 0.299 64 V C -1.020 175.090 176.094 0.026 0.000 1.034 64 V CA -0.813 61.454 62.300 -0.056 0.000 0.863 64 V CB 1.669 33.435 31.823 -0.095 0.000 0.999 64 V HN 0.564 nan 8.190 nan 0.000 0.423 65 V N 6.478 126.405 119.914 0.022 0.000 2.448 65 V HA 0.600 4.715 4.120 -0.009 0.000 0.295 65 V C -0.380 175.733 176.094 0.032 0.000 1.025 65 V CA -0.363 61.957 62.300 0.034 0.000 0.859 65 V CB 1.780 33.623 31.823 0.033 0.000 0.988 65 V HN 0.731 nan 8.190 nan 0.000 0.431 66 I N 4.331 124.921 120.570 0.033 0.000 2.533 66 I HA 0.499 4.663 4.170 -0.009 0.000 0.290 66 I C -0.009 176.124 176.117 0.026 0.000 1.056 66 I CA -0.700 60.618 61.300 0.030 0.000 1.057 66 I CB 2.067 40.085 38.000 0.030 0.000 1.240 66 I HN 0.607 nan 8.210 nan 0.000 0.423 67 N N 4.547 123.260 118.700 0.022 0.000 2.735 67 N HA -0.192 4.542 4.740 -0.009 0.000 0.248 67 N C 0.910 176.431 175.510 0.018 0.000 1.083 67 N CA 1.331 54.392 53.050 0.018 0.000 0.703 67 N CB -1.049 37.448 38.487 0.016 0.000 1.005 67 N HN 1.218 nan 8.380 nan 0.000 0.550 68 G N -1.628 107.184 108.800 0.020 0.000 2.168 68 G HA2 -0.335 3.619 3.960 -0.009 0.000 0.263 68 G HA3 -0.335 3.619 3.960 -0.009 0.000 0.263 68 G C -0.211 174.702 174.900 0.022 0.000 0.977 68 G CA 0.800 45.912 45.100 0.020 0.000 0.659 68 G HN 0.482 nan 8.290 nan 0.000 0.533 69 Q N 0.156 119.972 119.800 0.026 0.000 2.375 69 Q HA 0.430 4.765 4.340 -0.009 0.000 0.271 69 Q C -0.034 175.989 176.000 0.038 0.000 1.074 69 Q CA -0.639 55.181 55.803 0.029 0.000 0.808 69 Q CB 1.575 30.329 28.738 0.026 0.000 1.327 69 Q HN 0.622 nan 8.270 nan 0.000 0.441 70 E N 0.908 121.135 120.200 0.045 0.000 2.392 70 E HA 0.265 4.609 4.350 -0.009 0.000 0.264 70 E C 0.047 176.690 176.600 0.072 0.000 1.024 70 E CA -0.175 56.264 56.400 0.064 0.000 0.903 70 E CB 0.890 30.633 29.700 0.072 0.000 0.963 70 E HN 0.388 nan 8.360 nan 0.000 0.432 71 V N -0.574 119.401 119.914 0.101 0.000 3.074 71 V HA 0.509 4.623 4.120 -0.009 0.000 0.314 71 V C -0.629 175.558 176.094 0.155 0.000 1.117 71 V CA -1.351 61.009 62.300 0.101 0.000 1.014 71 V CB 1.788 33.662 31.823 0.084 0.000 1.057 71 V HN 0.408 nan 8.190 nan 0.000 0.438 72 K N 2.229 122.689 120.400 0.100 0.000 2.326 72 K HA 0.567 4.881 4.320 -0.009 0.000 0.275 72 K C -0.729 175.961 176.600 0.149 0.000 1.018 72 K CA 0.301 56.626 56.287 0.062 0.000 0.962 72 K CB 0.470 32.971 32.500 0.002 0.000 0.953 72 K HN 0.883 nan 8.250 nan 0.000 0.475 73 Y N -1.306 119.001 120.300 0.010 0.000 2.625 73 Y HA 0.792 5.336 4.550 -0.010 0.000 0.338 73 Y C -1.421 174.483 175.900 0.007 0.000 1.123 73 Y CA -1.643 56.462 58.100 0.009 0.000 1.046 73 Y CB 1.392 39.859 38.460 0.013 0.000 1.299 73 Y HN 0.476 nan 8.280 nan 0.000 0.464 74 A N 2.297 125.173 122.820 0.093 0.000 2.488 74 A HA 0.681 4.995 4.320 -0.009 0.000 0.298 74 A C -2.061 175.589 177.584 0.110 0.000 1.044 74 A CA -0.781 51.258 52.037 0.002 0.000 0.693 74 A CB 1.281 20.264 19.000 -0.029 0.000 1.272 74 A HN 0.824 nan 8.150 nan 0.000 0.402 75 L N 2.759 124.039 121.223 0.095 0.000 2.264 75 L HA 0.534 4.869 4.340 -0.009 0.000 0.289 75 L C 1.204 178.095 176.870 0.035 0.000 1.044 75 L CA -0.406 54.485 54.840 0.083 0.000 0.807 75 L CB 1.519 43.638 42.059 0.099 0.000 1.192 75 L HN 0.937 nan 8.230 nan 0.000 0.425 76 G N 2.054 110.869 108.800 0.024 0.000 2.651 76 G HA2 0.109 4.063 3.960 -0.009 0.000 0.260 76 G HA3 0.109 4.063 3.960 -0.009 0.000 0.260 76 G C -0.289 174.612 174.900 0.002 0.000 1.216 76 G CA -0.450 44.654 45.100 0.008 0.000 0.913 76 G HN 0.681 nan 8.290 nan 0.000 0.535 77 E N -0.595 119.602 120.200 -0.005 0.000 2.413 77 E HA 0.070 4.414 4.350 -0.009 0.000 0.263 77 E C 0.778 177.367 176.600 -0.017 0.000 1.015 77 E CA -0.298 56.096 56.400 -0.009 0.000 0.916 77 E CB 0.486 30.179 29.700 -0.011 0.000 0.947 77 E HN 0.391 nan 8.360 nan 0.000 0.440 78 R N 2.915 123.404 120.500 -0.017 0.000 2.570 78 R HA -0.042 4.292 4.340 -0.009 0.000 0.277 78 R C -0.338 175.932 176.300 -0.049 0.000 1.039 78 R CA 0.513 56.596 56.100 -0.030 0.000 1.065 78 R CB 0.422 30.711 30.300 -0.019 0.000 0.964 78 R HN 0.604 nan 8.270 nan 0.000 0.428 79 Q N 3.196 122.945 119.800 -0.085 0.000 2.842 79 Q HA 0.119 4.454 4.340 -0.009 0.000 0.323 79 Q C -0.055 175.818 176.000 -0.212 0.000 1.111 79 Q CA -0.247 55.478 55.803 -0.129 0.000 1.047 79 Q CB 1.236 29.889 28.738 -0.142 0.000 1.280 79 Q HN 0.954 nan 8.270 nan 0.000 0.475 80 S N 0.559 116.183 115.700 -0.126 0.000 3.938 80 S HA -0.364 4.100 4.470 -0.009 0.000 0.624 80 S C 1.004 175.536 174.600 -0.115 0.000 2.186 80 S CA 1.897 60.042 58.200 -0.091 0.000 4.144 80 S CB -1.079 62.081 63.200 -0.068 0.000 0.230 80 S HN 0.825 nan 8.310 nan 0.000 0.755 81 Y N 0.906 121.206 120.300 0.000 0.000 2.403 81 Y HA 0.196 4.738 4.550 -0.013 0.000 0.291 81 Y C 2.047 177.923 175.900 -0.040 0.000 1.143 81 Y CA 1.466 59.558 58.100 -0.014 0.000 1.257 81 Y CB -0.593 37.854 38.460 -0.022 0.000 0.984 81 Y HN 0.418 nan 8.280 nan 0.000 0.550 82 K N 0.972 121.047 120.400 -0.542 0.000 2.365 82 K HA 0.196 4.510 4.320 -0.009 0.000 0.199 82 K C 1.352 177.869 176.600 -0.138 0.000 1.045 82 K CA 0.561 56.671 56.287 -0.294 0.000 0.962 82 K CB -0.318 31.964 32.500 -0.363 0.000 0.759 82 K HN 0.641 nan 8.250 nan 0.000 0.469 83 G N 0.536 109.268 108.800 -0.114 0.000 2.542 83 G HA2 -0.229 3.726 3.960 -0.009 0.000 0.235 83 G HA3 -0.229 3.726 3.960 -0.009 0.000 0.235 83 G C -0.745 174.121 174.900 -0.057 0.000 1.286 83 G CA -0.417 44.648 45.100 -0.058 0.000 0.904 83 G HN 0.175 nan 8.290 nan 0.000 0.577 84 S N 2.797 118.478 115.700 -0.033 0.000 2.502 84 S HA 0.728 5.192 4.470 -0.009 0.000 0.304 84 S C -2.625 171.966 174.600 -0.014 0.000 1.097 84 S CA -0.687 57.501 58.200 -0.021 0.000 1.045 84 S CB 2.692 65.890 63.200 -0.002 0.000 1.019 84 S HN 0.751 nan 8.310 nan 0.000 0.481 85 P HA 0.215 nan 4.420 nan 0.000 0.275 85 P C -1.025 176.287 177.300 0.019 0.000 1.227 85 P CA -0.432 62.666 63.100 -0.002 0.000 0.781 85 P CB 0.541 32.238 31.700 -0.004 0.000 0.906 86 M N 2.504 122.117 119.600 0.022 0.000 2.078 86 M HA 0.274 4.748 4.480 -0.009 0.000 0.320 86 M C -0.297 176.037 176.300 0.056 0.000 0.969 86 M CA -0.579 54.754 55.300 0.054 0.000 0.929 86 M CB 0.976 33.593 32.600 0.029 0.000 1.504 86 M HN 0.295 nan 8.290 nan 0.000 0.419 87 E N 5.060 125.306 120.200 0.078 0.000 2.200 87 E HA 0.441 4.785 4.350 -0.009 0.000 0.283 87 E C -1.453 175.209 176.600 0.105 0.000 1.015 87 E CA -0.411 56.029 56.400 0.067 0.000 0.819 87 E CB 1.066 30.793 29.700 0.046 0.000 1.081 87 E HN 0.722 nan 8.360 nan 0.000 0.397 88 I N 3.217 123.835 120.570 0.081 0.000 2.378 88 I HA 0.182 4.346 4.170 -0.009 0.000 0.291 88 I C -0.285 175.874 176.117 0.069 0.000 0.992 88 I CA -0.651 60.707 61.300 0.097 0.000 1.154 88 I CB 2.012 40.051 38.000 0.065 0.000 1.315 88 I HN 0.381 nan 8.210 nan 0.000 0.448 89 S N 6.998 122.744 115.700 0.075 0.000 2.439 89 S HA 0.440 4.905 4.470 -0.009 0.000 0.282 89 S C -0.026 174.601 174.600 0.046 0.000 1.170 89 S CA -0.600 57.629 58.200 0.049 0.000 1.054 89 S CB 0.258 63.483 63.200 0.041 0.000 0.956 89 S HN 0.327 nan 8.310 nan 0.000 0.490 90 L N 5.831 127.075 121.223 0.034 0.000 2.380 90 L HA 0.241 4.576 4.340 -0.009 0.000 0.273 90 L C -0.890 175.996 176.870 0.026 0.000 1.138 90 L CA -1.506 53.352 54.840 0.030 0.000 0.832 90 L CB 0.417 42.490 42.059 0.023 0.000 1.124 90 L HN 0.453 nan 8.230 nan 0.000 0.454 91 P HA 0.048 nan 4.420 nan 0.000 0.225 91 P C 0.087 177.397 177.300 0.017 0.000 1.156 91 P CA 1.079 64.193 63.100 0.022 0.000 0.787 91 P CB 0.573 32.287 31.700 0.023 0.000 0.802 92 I N -0.654 119.925 120.570 0.016 0.000 2.607 92 I HA 0.414 4.578 4.170 -0.009 0.000 0.290 92 I C -0.190 175.934 176.117 0.012 0.000 1.129 92 I CA -1.575 59.733 61.300 0.012 0.000 1.042 92 I CB 2.225 40.231 38.000 0.011 0.000 1.242 92 I HN -0.224 nan 8.210 nan 0.000 0.421 93 A N 7.208 130.034 122.820 0.010 0.000 2.546 93 A HA 0.460 4.774 4.320 -0.009 0.000 0.243 93 A C -0.306 177.282 177.584 0.008 0.000 1.063 93 A CA 0.257 52.300 52.037 0.009 0.000 0.757 93 A CB 0.037 19.041 19.000 0.008 0.000 0.991 93 A HN 0.662 nan 8.150 nan 0.000 0.503 94 L N 2.705 123.933 121.223 0.009 0.000 2.322 94 L HA 0.450 4.784 4.340 -0.009 0.000 0.279 94 L C 0.949 177.822 176.870 0.006 0.000 1.036 94 L CA -0.531 54.313 54.840 0.007 0.000 0.807 94 L CB 1.733 43.797 42.059 0.009 0.000 1.226 94 L HN 0.899 nan 8.230 nan 0.000 0.433 95 S N 1.454 117.156 115.700 0.004 0.000 2.669 95 S HA 0.291 4.755 4.470 -0.009 0.000 0.270 95 S C -0.237 174.365 174.600 0.003 0.000 1.225 95 S CA -0.873 57.329 58.200 0.003 0.000 0.991 95 S CB 1.272 64.473 63.200 0.002 0.000 0.987 95 S HN 0.589 nan 8.310 nan 0.000 0.552 96 K N 0.748 121.150 120.400 0.002 0.000 2.484 96 K HA 0.007 4.322 4.320 -0.009 0.000 0.280 96 K C -0.084 176.516 176.600 0.001 0.000 1.013 96 K CA 0.457 56.745 56.287 0.002 0.000 1.029 96 K CB -0.228 32.273 32.500 0.002 0.000 0.902 96 K HN 0.708 nan 8.250 nan 0.000 0.481 97 N N 1.129 119.830 118.700 0.001 0.000 2.984 97 N HA -0.228 4.506 4.740 -0.009 0.000 0.227 97 N C -0.542 174.967 175.510 -0.001 0.000 0.903 97 N CA 0.960 54.010 53.050 -0.001 0.000 0.995 97 N CB -0.900 37.584 38.487 -0.004 0.000 1.065 97 N HN 0.798 nan 8.380 nan 0.000 0.585 98 Q N 1.221 121.021 119.800 0.001 0.000 2.364 98 Q HA 0.176 4.510 4.340 -0.009 0.000 0.267 98 Q C -0.579 175.423 176.000 0.004 0.000 0.999 98 Q CA 0.511 56.315 55.803 0.001 0.000 0.886 98 Q CB 0.566 29.306 28.738 0.003 0.000 1.243 98 Q HN 0.171 nan 8.270 nan 0.000 0.415 99 E N 3.743 123.945 120.200 0.003 0.000 2.212 99 E HA 0.517 4.861 4.350 -0.009 0.000 0.268 99 E C -0.690 175.916 176.600 0.010 0.000 0.902 99 E CA -0.596 55.809 56.400 0.008 0.000 0.779 99 E CB 1.579 31.282 29.700 0.005 0.000 1.172 99 E HN 0.587 nan 8.360 nan 0.000 0.409 100 I N -2.128 118.451 120.570 0.016 0.000 3.174 100 I HA 0.635 4.799 4.170 -0.009 0.000 0.313 100 I C -0.985 175.148 176.117 0.027 0.000 1.155 100 I CA -1.313 59.998 61.300 0.018 0.000 0.977 100 I CB 1.864 39.875 38.000 0.018 0.000 1.248 100 I HN 0.141 nan 8.210 nan 0.000 0.453 101 V N 3.916 123.847 119.914 0.029 0.000 2.417 101 V HA 0.485 4.599 4.120 -0.009 0.000 0.291 101 V C -0.129 175.988 176.094 0.038 0.000 1.024 101 V CA -0.328 61.997 62.300 0.041 0.000 0.861 101 V CB 1.398 33.248 31.823 0.044 0.000 0.985 101 V HN 0.472 nan 8.190 nan 0.000 0.436 102 I N 4.093 124.687 120.570 0.040 0.000 2.355 102 I HA 0.428 4.593 4.170 -0.009 0.000 0.288 102 I C 0.048 176.187 176.117 0.038 0.000 0.999 102 I CA -0.277 61.042 61.300 0.031 0.000 1.163 102 I CB 1.604 39.616 38.000 0.019 0.000 1.316 102 I HN 0.638 nan 8.210 nan 0.000 0.454 103 E N 7.530 127.754 120.200 0.040 0.000 2.081 103 E HA 0.495 4.840 4.350 -0.009 0.000 0.276 103 E C -1.114 175.509 176.600 0.038 0.000 0.950 103 E CA -0.595 55.837 56.400 0.054 0.000 0.776 103 E CB 1.004 30.740 29.700 0.061 0.000 1.094 103 E HN 0.496 nan 8.360 nan 0.000 0.402 104 I N 3.288 123.892 120.570 0.055 0.000 2.339 104 I HA 0.197 4.361 4.170 -0.009 0.000 0.290 104 I C -0.137 176.076 176.117 0.159 0.000 0.994 104 I CA -0.547 60.780 61.300 0.046 0.000 1.191 104 I CB 1.926 39.921 38.000 -0.009 0.000 1.343 104 I HN 0.334 nan 8.210 nan 0.000 0.458 105 S N 6.902 122.647 115.700 0.075 0.000 2.465 105 S HA 0.635 5.100 4.470 -0.009 0.000 0.279 105 S C -0.514 174.143 174.600 0.095 0.000 1.201 105 S CA -0.410 57.817 58.200 0.044 0.000 1.053 105 S CB 0.190 63.385 63.200 -0.009 0.000 0.953 105 S HN 0.474 nan 8.310 nan 0.000 0.488 106 F N 0.481 120.403 119.950 -0.047 0.000 2.662 106 F HA 0.804 5.326 4.527 -0.009 0.000 0.312 106 F C -0.884 174.900 175.800 -0.026 0.000 1.113 106 F CA -1.121 56.852 58.000 -0.045 0.000 0.951 106 F CB 1.403 40.371 39.000 -0.054 0.000 1.344 106 F HN 0.466 nan 8.300 nan 0.000 0.462 107 E N 1.116 121.382 120.200 0.110 0.000 2.308 107 E HA 0.427 4.771 4.350 -0.009 0.000 0.275 107 E C -1.273 175.440 176.600 0.188 0.000 0.890 107 E CA -0.870 55.547 56.400 0.029 0.000 0.754 107 E CB 2.308 31.986 29.700 -0.036 0.000 1.207 107 E HN 0.951 nan 8.360 nan 0.000 0.426 108 T N 0.802 115.471 114.554 0.192 0.000 2.828 108 T HA 0.269 4.613 4.350 -0.009 0.000 0.290 108 T C 0.453 175.204 174.700 0.085 0.000 1.019 108 T CA -0.683 61.520 62.100 0.170 0.000 1.031 108 T CB 1.521 70.511 68.868 0.202 0.000 1.001 108 T HN 0.279 nan 8.240 nan 0.000 0.531 109 S N 1.471 117.212 115.700 0.069 0.000 2.565 109 S HA 0.344 4.808 4.470 -0.009 0.000 0.274 109 S C -1.531 173.079 174.600 0.016 0.000 1.309 109 S CA -1.702 56.512 58.200 0.023 0.000 1.043 109 S CB 0.414 63.627 63.200 0.022 0.000 0.939 109 S HN 0.586 nan 8.310 nan 0.000 0.504 110 P HA -0.126 nan 4.420 nan 0.000 0.218 110 P C 0.575 177.864 177.300 -0.019 0.000 1.146 110 P CA 1.297 64.298 63.100 -0.164 0.000 0.813 110 P CB -0.057 31.507 31.700 -0.227 0.000 0.778 111 K N -1.155 119.244 120.400 -0.002 0.000 2.417 111 K HA 0.145 4.459 4.320 -0.009 0.000 0.196 111 K C 0.561 177.176 176.600 0.024 0.000 1.023 111 K CA -0.202 56.091 56.287 0.010 0.000 1.122 111 K CB -0.246 32.251 32.500 -0.005 0.000 0.850 111 K HN -0.208 nan 8.250 nan 0.000 0.521 112 S N 1.842 117.578 115.700 0.060 0.000 3.074 112 S HA -0.099 4.365 4.470 -0.009 0.000 0.359 112 S C 1.167 175.760 174.600 -0.012 0.000 1.207 112 S CA 0.306 58.538 58.200 0.054 0.000 1.061 112 S CB 0.177 63.434 63.200 0.095 0.000 0.769 112 S HN 0.586 nan 8.310 nan 0.000 0.512 113 S N 4.408 120.110 115.700 0.002 0.000 2.474 113 S HA -0.026 4.439 4.470 -0.009 0.000 0.235 113 S C 1.797 176.245 174.600 -0.253 0.000 0.997 113 S CA 0.563 58.714 58.200 -0.082 0.000 0.949 113 S CB -0.379 62.880 63.200 0.098 0.000 0.766 113 S HN 0.967 nan 8.310 nan 0.000 0.517 114 A N 0.836 123.598 122.820 -0.097 0.000 2.119 114 A HA 0.462 4.777 4.320 -0.009 0.000 0.216 114 A C 0.853 178.362 177.584 -0.124 0.000 1.152 114 A CA 0.254 52.241 52.037 -0.083 0.000 0.708 114 A CB -0.235 18.782 19.000 0.029 0.000 0.805 114 A HN 0.558 nan 8.150 nan 0.000 0.460 115 L N -0.736 120.364 121.223 -0.206 0.000 2.342 115 L HA 0.484 4.818 4.340 -0.009 0.000 0.271 115 L C -0.273 176.304 176.870 -0.489 0.000 1.008 115 L CA -0.539 54.097 54.840 -0.339 0.000 0.818 115 L CB 1.945 43.810 42.059 -0.323 0.000 1.296 115 L HN 0.252 nan 8.230 nan 0.000 0.427 116 Q N 1.454 120.819 119.800 -0.725 0.000 2.325 116 Q HA 0.342 4.677 4.340 -0.009 0.000 0.270 116 Q C -1.950 173.758 176.000 -0.486 0.000 1.020 116 Q CA -0.636 54.804 55.803 -0.605 0.000 0.785 116 Q CB 1.588 29.914 28.738 -0.687 0.000 1.259 116 Q HN 0.480 nan 8.270 nan 0.000 0.452 117 W N 5.293 126.507 121.300 -0.143 0.000 2.316 117 W HA 0.450 5.104 4.660 -0.010 0.000 0.308 117 W C -0.784 175.784 176.519 0.081 0.000 1.106 117 W CA -0.387 56.967 57.345 0.014 0.000 1.262 117 W CB 0.733 30.196 29.460 0.006 0.000 1.233 117 W HN 0.411 nan 8.180 nan 0.000 0.447 118 L N 3.718 125.160 121.223 0.366 0.000 2.325 118 L HA 0.562 4.896 4.340 -0.009 0.000 0.278 118 L C 0.948 177.985 176.870 0.277 0.000 1.023 118 L CA -1.017 53.990 54.840 0.278 0.000 0.811 118 L CB 1.363 43.571 42.059 0.248 0.000 1.249 118 L HN 0.412 nan 8.230 nan 0.000 0.431 119 T N -1.314 113.352 114.554 0.186 0.000 2.788 119 T HA 0.223 4.567 4.350 -0.009 0.000 0.287 119 T C -1.920 172.842 174.700 0.103 0.000 1.007 119 T CA -1.524 60.657 62.100 0.135 0.000 1.005 119 T CB 1.050 69.970 68.868 0.088 0.000 1.012 119 T HN 0.337 nan 8.240 nan 0.000 0.530 120 P HA -0.094 nan 4.420 nan 0.000 0.216 120 P C 1.484 178.805 177.300 0.034 0.000 1.150 120 P CA 0.927 64.049 63.100 0.036 0.000 0.843 120 P CB 0.039 31.733 31.700 -0.012 0.000 0.787 121 E N -0.429 119.790 120.200 0.032 0.000 2.268 121 E HA -0.149 4.195 4.350 -0.009 0.000 0.195 121 E C 1.713 178.336 176.600 0.038 0.000 0.995 121 E CA 0.960 57.376 56.400 0.028 0.000 0.836 121 E CB -0.519 29.194 29.700 0.021 0.000 0.763 121 E HN 0.509 nan 8.360 nan 0.000 0.491 122 Q N 0.423 120.256 119.800 0.054 0.000 2.403 122 Q HA 0.020 4.355 4.340 -0.009 0.000 0.203 122 Q C 0.720 176.737 176.000 0.030 0.000 0.932 122 Q CA 0.392 56.230 55.803 0.058 0.000 0.945 122 Q CB 0.300 29.091 28.738 0.087 0.000 1.045 122 Q HN 0.206 nan 8.270 nan 0.000 0.511 123 T N -4.194 110.376 114.554 0.027 0.000 2.923 123 T HA 0.306 4.651 4.350 -0.009 0.000 0.281 123 T C 1.100 175.803 174.700 0.006 0.000 0.995 123 T CA -0.639 61.459 62.100 -0.003 0.000 0.985 123 T CB 1.673 70.574 68.868 0.055 0.000 1.114 123 T HN -0.168 nan 8.240 nan 0.000 0.548 124 S N 0.230 115.931 115.700 0.002 0.000 2.387 124 S HA 0.104 4.569 4.470 -0.009 0.000 0.226 124 S C 2.234 176.853 174.600 0.031 0.000 1.026 124 S CA 0.946 59.156 58.200 0.016 0.000 0.972 124 S CB -0.845 62.365 63.200 0.018 0.000 0.814 124 S HN 0.945 nan 8.310 nan 0.000 0.477 125 G N 0.719 109.550 108.800 0.052 0.000 2.464 125 G HA2 -0.023 3.931 3.960 -0.009 0.000 0.217 125 G HA3 -0.023 3.931 3.960 -0.009 0.000 0.217 125 G C 0.507 175.420 174.900 0.022 0.000 1.138 125 G CA 0.489 45.621 45.100 0.054 0.000 0.793 125 G HN 0.277 nan 8.290 nan 0.000 0.539 126 K N -0.795 119.616 120.400 0.017 0.000 3.547 126 K HA -0.213 4.101 4.320 -0.009 0.000 0.309 126 K C 1.069 177.636 176.600 -0.054 0.000 1.324 126 K CA 1.627 57.910 56.287 -0.007 0.000 0.988 126 K CB -1.461 31.035 32.500 -0.007 0.000 1.261 126 K HN 0.611 nan 8.250 nan 0.000 0.444 127 E N 0.038 120.174 120.200 -0.108 0.000 2.290 127 E HA 0.014 4.359 4.350 -0.009 0.000 0.197 127 E C 0.035 176.358 176.600 -0.462 0.000 0.948 127 E CA 0.142 56.359 56.400 -0.305 0.000 0.895 127 E CB 0.501 29.945 29.700 -0.425 0.000 0.865 127 E HN 0.359 nan 8.360 nan 0.000 0.486 128 H N 0.316 119.383 119.070 -0.006 0.000 2.679 128 H HA 0.344 4.895 4.556 -0.009 0.000 0.367 128 H C -2.304 172.991 175.328 -0.055 0.000 1.162 128 H CA -2.194 53.823 56.048 -0.052 0.000 1.181 128 H CB 1.618 31.349 29.762 -0.051 0.000 1.693 128 H HN 0.114 nan 8.280 nan 0.000 0.538 129 P HA 0.193 nan 4.420 nan 0.000 0.293 129 P C -1.162 176.129 177.300 -0.015 0.000 1.304 129 P CA -0.286 62.773 63.100 -0.069 0.000 0.767 129 P CB 1.540 33.087 31.700 -0.256 0.000 1.247 130 Y N -0.834 119.528 120.300 0.103 0.000 2.480 130 Y HA 0.528 5.072 4.550 -0.010 0.000 0.329 130 Y C -1.774 174.331 175.900 0.342 0.000 1.127 130 Y CA -1.036 57.193 58.100 0.215 0.000 1.037 130 Y CB 1.481 40.038 38.460 0.161 0.000 1.320 130 Y HN 0.278 nan 8.280 nan 0.000 0.446 131 L N 7.509 128.877 121.223 0.241 0.000 2.386 131 L HA 0.818 5.152 4.340 -0.009 0.000 0.271 131 L C -1.875 174.983 176.870 -0.021 0.000 0.993 131 L CA -0.823 53.943 54.840 -0.124 0.000 0.819 131 L CB 1.356 43.053 42.059 -0.603 0.000 1.294 131 L HN 0.467 nan 8.230 nan 0.000 0.414 132 F N 1.737 121.663 119.950 -0.039 0.000 2.599 132 F HA 0.899 5.420 4.527 -0.010 0.000 0.311 132 F C -0.503 175.335 175.800 0.064 0.000 1.076 132 F CA -0.612 57.418 58.000 0.049 0.000 0.937 132 F CB 1.254 40.387 39.000 0.222 0.000 1.282 132 F HN 0.602 nan 8.300 nan 0.000 0.460 133 S N 1.830 117.749 115.700 0.365 0.000 2.681 133 S HA 0.699 5.163 4.470 -0.009 0.000 0.299 133 S C -0.982 173.877 174.600 0.432 0.000 1.113 133 S CA -0.538 57.793 58.200 0.218 0.000 1.013 133 S CB 1.871 65.110 63.200 0.065 0.000 1.076 133 S HN 0.904 nan 8.310 nan 0.000 0.534 134 Q N 0.839 120.798 119.800 0.266 0.000 2.961 134 Q HA 0.333 4.667 4.340 -0.009 0.000 0.223 134 Q C -0.604 175.470 176.000 0.123 0.000 0.859 134 Q CA -0.441 55.508 55.803 0.244 0.000 0.771 134 Q CB 0.642 29.573 28.738 0.322 0.000 1.389 134 Q HN 0.900 nan 8.270 nan 0.000 0.460 135 C N 1.136 120.492 119.300 0.095 0.000 2.533 135 C HA 0.155 4.609 4.460 -0.009 0.000 0.272 135 C C 1.281 176.347 174.990 0.125 0.000 1.371 135 C CA 0.121 59.214 59.018 0.125 0.000 1.758 135 C CB -0.070 27.716 27.740 0.077 0.000 1.972 135 C HN 0.620 nan 8.230 nan 0.000 0.522 136 Q N 0.325 120.152 119.800 0.045 0.000 2.313 136 Q HA 0.366 4.700 4.340 -0.009 0.000 0.266 136 Q C 0.808 176.626 176.000 -0.303 0.000 0.989 136 Q CA 0.114 55.806 55.803 -0.185 0.000 0.890 136 Q CB 1.022 29.613 28.738 -0.244 0.000 1.200 136 Q HN 0.502 nan 8.270 nan 0.000 0.396 137 A N 4.698 127.153 122.820 -0.609 0.000 1.901 137 A HA 0.052 4.367 4.320 -0.009 0.000 0.210 137 A C 1.140 178.432 177.584 -0.487 0.000 1.208 137 A CA 0.730 52.106 52.037 -1.101 0.000 0.644 137 A CB 0.052 17.812 19.000 -2.067 0.000 0.863 137 A HN 0.816 nan 8.150 nan 0.000 0.454 138 I N -4.940 115.343 120.570 -0.478 0.000 3.061 138 I HA 0.443 4.607 4.170 -0.009 0.000 0.341 138 I C 0.221 176.117 176.117 -0.369 0.000 1.457 138 I CA -0.301 60.835 61.300 -0.273 0.000 0.921 138 I CB 0.201 38.093 38.000 -0.180 0.000 1.845 138 I HN 0.113 nan 8.210 nan 0.000 0.535 139 H N -0.387 118.664 119.070 -0.033 0.000 2.705 139 H HA 0.160 4.711 4.556 -0.009 0.000 0.269 139 H C 1.883 177.200 175.328 -0.019 0.000 0.998 139 H CA 0.217 56.253 56.048 -0.019 0.000 1.193 139 H CB 0.618 30.370 29.762 -0.016 0.000 1.485 139 H HN 0.676 nan 8.280 nan 0.000 0.521 140 C N 2.439 121.782 119.300 0.071 0.000 2.403 140 C HA -0.164 4.291 4.460 -0.009 0.000 0.277 140 C C 3.030 177.997 174.990 -0.038 0.000 1.248 140 C CA 1.380 60.402 59.018 0.006 0.000 1.762 140 C CB -0.720 27.016 27.740 -0.007 0.000 2.014 140 C HN 0.635 nan 8.230 nan 0.000 0.486 141 R N 1.058 121.540 120.500 -0.030 0.000 2.200 141 R HA -0.031 4.304 4.340 -0.009 0.000 0.234 141 R C 1.861 178.130 176.300 -0.052 0.000 1.127 141 R CA 1.727 57.791 56.100 -0.059 0.000 0.989 141 R CB -0.696 29.579 30.300 -0.043 0.000 0.869 141 R HN 0.494 nan 8.270 nan 0.000 0.459 142 A N 0.814 123.633 122.820 -0.001 0.000 2.238 142 A HA 0.177 4.492 4.320 -0.009 0.000 0.208 142 A C 1.801 179.391 177.584 0.010 0.000 1.177 142 A CA 0.363 52.416 52.037 0.026 0.000 0.804 142 A CB -0.127 18.927 19.000 0.091 0.000 0.823 142 A HN 0.355 nan 8.150 nan 0.000 0.482 143 I N -1.351 119.195 120.570 -0.039 0.000 3.300 143 I HA 0.205 4.370 4.170 -0.009 0.000 0.279 143 I C -0.090 175.895 176.117 -0.220 0.000 1.172 143 I CA 0.302 61.575 61.300 -0.045 0.000 1.431 143 I CB 0.417 38.386 38.000 -0.053 0.000 1.240 143 I HN 0.345 nan 8.210 nan 0.000 0.453 144 L N -2.904 118.095 121.223 -0.374 0.000 2.582 144 L HA 0.652 4.986 4.340 -0.009 0.000 0.257 144 L C -3.185 173.406 176.870 -0.465 0.000 0.974 144 L CA -2.007 52.377 54.840 -0.761 0.000 0.851 144 L CB 0.614 42.227 42.059 -0.745 0.000 1.424 144 L HN -0.286 nan 8.230 nan 0.000 0.412 145 P HA 0.353 nan 4.420 nan 0.000 0.271 145 P C -0.821 176.362 177.300 -0.194 0.000 1.226 145 P CA -0.204 62.742 63.100 -0.258 0.000 0.765 145 P CB 0.432 31.997 31.700 -0.225 0.000 0.835 146 C N 0.978 120.201 119.300 -0.127 0.000 3.321 146 C HA 0.391 4.846 4.460 -0.009 0.000 0.329 146 C C -0.671 174.290 174.990 -0.048 0.000 1.394 146 C CA -0.986 57.979 59.018 -0.089 0.000 1.291 146 C CB 0.896 28.577 27.740 -0.097 0.000 1.606 146 C HN 0.436 nan 8.230 nan 0.000 0.463 147 Q N 1.129 120.912 119.800 -0.028 0.000 2.431 147 Q HA 0.170 4.505 4.340 -0.009 0.000 0.234 147 Q C -0.548 175.458 176.000 0.010 0.000 1.203 147 Q CA 0.301 56.100 55.803 -0.007 0.000 0.902 147 Q CB 0.219 28.956 28.738 -0.002 0.000 1.455 147 Q HN 0.604 nan 8.270 nan 0.000 0.515 148 D N 2.434 122.847 120.400 0.021 0.000 2.688 148 D HA 0.030 4.664 4.640 -0.009 0.000 0.228 148 D C -0.938 175.431 176.300 0.116 0.000 1.116 148 D CA 0.311 54.346 54.000 0.059 0.000 1.023 148 D CB 0.105 40.929 40.800 0.040 0.000 1.100 148 D HN 0.288 nan 8.370 nan 0.000 0.487 149 T N 0.908 115.520 114.554 0.098 0.000 3.032 149 T HA 0.352 4.696 4.350 -0.009 0.000 0.312 149 T C -2.442 172.275 174.700 0.028 0.000 1.078 149 T CA -1.540 60.599 62.100 0.065 0.000 1.028 149 T CB 2.007 70.887 68.868 0.019 0.000 1.091 149 T HN -0.081 nan 8.240 nan 0.000 0.457 150 P HA 0.073 nan 4.420 nan 0.000 0.245 150 P C 1.081 178.331 177.300 -0.083 0.000 1.212 150 P CA 0.212 63.281 63.100 -0.051 0.000 0.774 150 P CB -0.044 31.480 31.700 -0.293 0.000 0.999 151 S N -1.672 113.977 115.700 -0.085 0.000 2.561 151 S HA 0.083 4.547 4.470 -0.009 0.000 0.225 151 S C 0.745 175.329 174.600 -0.028 0.000 0.977 151 S CA -0.079 58.085 58.200 -0.061 0.000 0.926 151 S CB -0.587 62.582 63.200 -0.052 0.000 0.769 151 S HN -0.070 nan 8.310 nan 0.000 0.533 152 V N 1.768 121.674 119.914 -0.015 0.000 2.540 152 V HA 0.489 4.603 4.120 -0.009 0.000 0.302 152 V C -0.504 175.592 176.094 0.003 0.000 1.035 152 V CA -0.774 61.525 62.300 -0.002 0.000 0.873 152 V CB 1.914 33.739 31.823 0.003 0.000 0.992 152 V HN 0.245 nan 8.190 nan 0.000 0.428 153 K N 5.446 125.853 120.400 0.012 0.000 2.324 153 K HA 0.847 5.161 4.320 -0.009 0.000 0.253 153 K C -1.309 175.312 176.600 0.034 0.000 0.932 153 K CA -0.690 55.611 56.287 0.023 0.000 0.799 153 K CB 2.553 35.077 32.500 0.039 0.000 1.154 153 K HN 0.640 nan 8.250 nan 0.000 0.425 154 L N -1.383 119.868 121.223 0.047 0.000 2.424 154 L HA 0.609 4.943 4.340 -0.009 0.000 0.258 154 L C -0.045 176.886 176.870 0.101 0.000 0.995 154 L CA -0.930 53.950 54.840 0.066 0.000 0.821 154 L CB 1.819 43.904 42.059 0.044 0.000 1.383 154 L HN 0.618 nan 8.230 nan 0.000 0.410 155 T N -1.144 113.492 114.554 0.137 0.000 2.847 155 T HA 0.701 5.046 4.350 -0.009 0.000 0.279 155 T C -0.602 174.147 174.700 0.081 0.000 0.984 155 T CA -0.204 61.994 62.100 0.163 0.000 0.988 155 T CB 1.177 70.185 68.868 0.234 0.000 1.040 155 T HN 0.985 nan 8.240 nan 0.000 0.528 156 Y N -1.661 118.584 120.300 -0.092 0.000 2.624 156 Y HA 0.680 5.225 4.550 -0.009 0.000 0.334 156 Y C -0.951 174.943 175.900 -0.010 0.000 1.155 156 Y CA -1.094 56.815 58.100 -0.318 0.000 1.046 156 Y CB 1.034 39.363 38.460 -0.218 0.000 1.316 156 Y HN 1.062 nan 8.280 nan 0.000 0.457 157 T N 0.245 114.944 114.554 0.243 0.000 2.896 157 T HA 0.987 5.332 4.350 -0.009 0.000 0.297 157 T C -0.913 173.981 174.700 0.323 0.000 1.108 157 T CA -0.347 61.960 62.100 0.344 0.000 1.004 157 T CB 1.690 70.872 68.868 0.523 0.000 1.159 157 T HN 1.768 nan 8.240 nan 0.000 0.499 158 A N 1.250 124.242 122.820 0.286 0.000 2.589 158 A HA 0.745 5.059 4.320 -0.009 0.000 0.296 158 A C -1.469 176.248 177.584 0.221 0.000 1.062 158 A CA -1.011 51.122 52.037 0.161 0.000 0.686 158 A CB 1.448 20.622 19.000 0.291 0.000 1.282 158 A HN 0.861 nan 8.150 nan 0.000 0.404 159 E N 0.668 120.932 120.200 0.106 0.000 2.218 159 E HA 0.544 4.889 4.350 -0.009 0.000 0.263 159 E C -1.443 175.243 176.600 0.144 0.000 0.879 159 E CA -0.777 55.706 56.400 0.138 0.000 0.762 159 E CB 2.504 32.268 29.700 0.106 0.000 1.166 159 E HN 0.335 nan 8.360 nan 0.000 0.415 160 V N 2.185 122.231 119.914 0.220 0.000 2.409 160 V HA 0.262 4.377 4.120 -0.009 0.000 0.290 160 V C -0.213 176.002 176.094 0.201 0.000 1.017 160 V CA -0.761 61.663 62.300 0.208 0.000 0.841 160 V CB 1.623 33.609 31.823 0.273 0.000 1.003 160 V HN 0.640 nan 8.190 nan 0.000 0.426 161 S N 4.837 120.613 115.700 0.128 0.000 2.489 161 S HA 0.721 5.186 4.470 -0.009 0.000 0.277 161 S C -0.412 174.275 174.600 0.145 0.000 1.230 161 S CA -0.352 57.920 58.200 0.119 0.000 1.053 161 S CB 0.868 64.110 63.200 0.069 0.000 0.955 161 S HN 1.130 nan 8.310 nan 0.000 0.488 162 V N 2.566 122.595 119.914 0.192 0.000 3.078 162 V HA 0.763 4.877 4.120 -0.009 0.000 0.311 162 V C -3.052 173.166 176.094 0.207 0.000 1.138 162 V CA -2.938 59.499 62.300 0.228 0.000 1.007 162 V CB 1.168 33.149 31.823 0.264 0.000 1.045 162 V HN 0.609 nan 8.190 nan 0.000 0.432 163 P HA 0.095 nan 4.420 nan 0.000 0.264 163 P C 0.536 177.908 177.300 0.120 0.000 1.183 163 P CA 0.231 63.423 63.100 0.153 0.000 0.763 163 P CB 0.348 32.134 31.700 0.143 0.000 0.807 164 K N 4.058 124.510 120.400 0.088 0.000 2.281 164 K HA -0.181 4.133 4.320 -0.009 0.000 0.203 164 K C 1.054 177.691 176.600 0.062 0.000 1.046 164 K CA 1.351 57.682 56.287 0.074 0.000 0.938 164 K CB -0.272 32.253 32.500 0.042 0.000 0.737 164 K HN 0.393 nan 8.250 nan 0.000 0.458 165 E N 1.394 121.605 120.200 0.018 0.000 2.502 165 E HA 0.010 4.355 4.350 -0.009 0.000 0.194 165 E C 0.535 177.050 176.600 -0.142 0.000 1.062 165 E CA 0.184 56.550 56.400 -0.058 0.000 0.867 165 E CB -0.143 29.503 29.700 -0.089 0.000 0.888 165 E HN 0.394 nan 8.360 nan 0.000 0.510 166 L N 0.567 121.756 121.223 -0.057 0.000 2.331 166 L HA 0.498 4.833 4.340 -0.009 0.000 0.268 166 L C -0.251 176.633 176.870 0.024 0.000 1.015 166 L CA -1.314 53.483 54.840 -0.072 0.000 0.807 166 L CB 1.968 43.985 42.059 -0.070 0.000 1.293 166 L HN -0.227 nan 8.230 nan 0.000 0.451 167 V N 0.619 120.456 119.914 -0.128 0.000 2.540 167 V HA 0.626 4.740 4.120 -0.009 0.000 0.302 167 V C -0.018 175.741 176.094 -0.558 0.000 1.035 167 V CA -0.629 61.433 62.300 -0.397 0.000 0.873 167 V CB 1.638 33.328 31.823 -0.222 0.000 0.992 167 V HN 0.841 nan 8.190 nan 0.000 0.428 168 A N 5.954 128.189 122.820 -0.975 0.000 2.306 168 A HA 0.934 5.249 4.320 -0.009 0.000 0.314 168 A C -0.837 176.541 177.584 -0.345 0.000 1.164 168 A CA -0.421 51.328 52.037 -0.480 0.000 0.822 168 A CB 0.668 19.588 19.000 -0.133 0.000 1.130 168 A HN 0.796 nan 8.150 nan 0.000 0.496 169 L N 1.894 122.904 121.223 -0.355 0.000 2.409 169 L HA 0.651 4.986 4.340 -0.009 0.000 0.262 169 L C -0.331 176.189 176.870 -0.584 0.000 0.992 169 L CA -0.310 54.289 54.840 -0.402 0.000 0.817 169 L CB 2.263 43.983 42.059 -0.565 0.000 1.350 169 L HN 0.754 nan 8.230 nan 0.000 0.411 170 M N 0.206 119.350 119.600 -0.760 0.000 2.704 170 M HA 0.310 4.785 4.480 -0.009 0.000 0.284 170 M C -0.118 176.047 176.300 -0.225 0.000 1.275 170 M CA -0.729 54.224 55.300 -0.579 0.000 0.811 170 M CB 2.504 34.540 32.600 -0.940 0.000 1.741 170 M HN 0.558 nan 8.290 nan 0.000 0.458 171 S N 0.481 116.128 115.700 -0.087 0.000 4.183 171 S HA 0.651 5.115 4.470 -0.009 0.000 0.195 171 S C -0.368 174.234 174.600 0.003 0.000 1.421 171 S CA -0.334 57.840 58.200 -0.043 0.000 0.920 171 S CB -0.954 62.195 63.200 -0.085 0.000 1.525 171 S HN 0.735 nan 8.310 nan 0.000 0.447 172 A N 2.101 124.913 122.820 -0.014 0.000 2.544 172 A HA 0.587 4.901 4.320 -0.009 0.000 0.291 172 A C -1.055 176.590 177.584 0.101 0.000 1.055 172 A CA -0.960 51.062 52.037 -0.026 0.000 0.651 172 A CB 0.452 19.375 19.000 -0.127 0.000 1.296 172 A HN 0.389 nan 8.150 nan 0.000 0.431 173 I N 1.405 122.036 120.570 0.102 0.000 2.441 173 I HA 0.235 4.399 4.170 -0.009 0.000 0.287 173 I C 0.831 177.055 176.117 0.179 0.000 1.049 173 I CA -0.009 61.372 61.300 0.135 0.000 1.381 173 I CB 0.556 38.611 38.000 0.092 0.000 1.409 173 I HN 0.640 nan 8.210 nan 0.000 0.523 174 R N 3.888 124.493 120.500 0.174 0.000 2.449 174 R HA -0.001 4.334 4.340 -0.009 0.000 0.296 174 R C -0.045 176.242 176.300 -0.021 0.000 1.047 174 R CA 0.049 56.190 56.100 0.069 0.000 1.018 174 R CB 0.446 30.805 30.300 0.099 0.000 0.962 174 R HN 0.462 nan 8.270 nan 0.000 0.428 175 D N 1.558 121.869 120.400 -0.148 0.000 2.538 175 D HA 0.201 4.836 4.640 -0.009 0.000 0.231 175 D C 0.141 176.377 176.300 -0.106 0.000 1.229 175 D CA 0.427 54.374 54.000 -0.087 0.000 0.828 175 D CB 0.480 41.248 40.800 -0.054 0.000 1.035 175 D HN 0.783 nan 8.370 nan 0.000 0.495 176 G N 0.770 109.497 108.800 -0.122 0.000 2.541 176 G HA2 0.076 4.030 3.960 -0.009 0.000 0.686 176 G HA3 0.076 4.030 3.960 -0.009 0.000 0.686 176 G C -1.041 173.759 174.900 -0.167 0.000 1.286 176 G CA -0.431 44.608 45.100 -0.102 0.000 0.894 176 G HN 0.304 nan 8.290 nan 0.000 0.575 177 E N -1.705 118.386 120.200 -0.180 0.000 2.356 177 E HA 0.815 5.159 4.350 -0.009 0.000 0.275 177 E C -0.397 176.060 176.600 -0.238 0.000 0.904 177 E CA -0.453 55.747 56.400 -0.333 0.000 0.757 177 E CB 2.394 31.761 29.700 -0.555 0.000 1.232 177 E HN 1.386 nan 8.360 nan 0.000 0.442 178 T N -1.263 113.144 114.554 -0.246 0.000 2.843 178 T HA 0.540 4.884 4.350 -0.009 0.000 0.302 178 T C -2.929 171.684 174.700 -0.145 0.000 1.232 178 T CA -2.221 59.788 62.100 -0.152 0.000 1.009 178 T CB 1.265 70.075 68.868 -0.095 0.000 1.254 178 T HN 0.241 nan 8.240 nan 0.000 0.504 179 P HA 0.205 nan 4.420 nan 0.000 0.269 179 P C -0.590 176.682 177.300 -0.047 0.000 1.209 179 P CA -0.103 62.959 63.100 -0.063 0.000 0.776 179 P CB 0.287 31.965 31.700 -0.038 0.000 0.876 180 D N 3.657 124.039 120.400 -0.029 0.000 2.371 180 D HA 0.046 4.680 4.640 -0.009 0.000 0.256 180 D C -1.519 174.777 176.300 -0.006 0.000 1.193 180 D CA -1.784 52.209 54.000 -0.011 0.000 0.881 180 D CB 0.598 41.401 40.800 0.006 0.000 1.143 180 D HN 0.137 nan 8.370 nan 0.000 0.473 181 P HA -0.044 nan 4.420 nan 0.000 0.223 181 P C 0.424 177.726 177.300 0.002 0.000 1.151 181 P CA 0.898 63.996 63.100 -0.002 0.000 0.787 181 P CB 0.322 32.021 31.700 -0.002 0.000 0.788 182 E N -1.332 118.871 120.200 0.005 0.000 2.474 182 E HA 0.034 4.379 4.350 -0.009 0.000 0.194 182 E C 0.021 176.627 176.600 0.009 0.000 1.041 182 E CA 0.236 56.639 56.400 0.007 0.000 0.874 182 E CB 0.159 29.863 29.700 0.007 0.000 0.914 182 E HN 0.097 nan 8.360 nan 0.000 0.498 183 D N -0.443 119.964 120.400 0.011 0.000 2.296 183 D HA 0.071 4.705 4.640 -0.009 0.000 0.224 183 D C -2.480 173.830 176.300 0.017 0.000 1.324 183 D CA -1.483 52.527 54.000 0.016 0.000 0.940 183 D CB 1.191 42.005 40.800 0.023 0.000 1.492 183 D HN -0.243 nan 8.370 nan 0.000 0.531 184 P HA -0.048 nan 4.420 nan 0.000 0.231 184 P C 1.108 178.419 177.300 0.018 0.000 1.158 184 P CA 0.685 63.791 63.100 0.011 0.000 0.763 184 P CB 0.179 31.884 31.700 0.009 0.000 0.805 185 S N -2.110 113.606 115.700 0.027 0.000 2.603 185 S HA 0.142 4.606 4.470 -0.009 0.000 0.220 185 S C 0.806 175.435 174.600 0.048 0.000 0.967 185 S CA -0.215 58.008 58.200 0.038 0.000 0.920 185 S CB -0.289 62.938 63.200 0.044 0.000 0.773 185 S HN 0.043 nan 8.310 nan 0.000 0.529 186 R N 0.191 120.716 120.500 0.040 0.000 2.854 186 R HA 0.622 4.956 4.340 -0.009 0.000 0.271 186 R C -1.029 175.285 176.300 0.024 0.000 0.994 186 R CA -0.823 55.308 56.100 0.052 0.000 0.945 186 R CB 1.507 31.843 30.300 0.059 0.000 1.194 186 R HN 0.100 nan 8.270 nan 0.000 0.476 187 K N 1.330 121.749 120.400 0.031 0.000 2.318 187 K HA 0.497 4.812 4.320 -0.009 0.000 0.249 187 K C -0.755 175.816 176.600 -0.049 0.000 0.942 187 K CA -0.655 55.591 56.287 -0.069 0.000 0.808 187 K CB 2.082 34.481 32.500 -0.169 0.000 1.189 187 K HN 0.370 nan 8.250 nan 0.000 0.428 188 I N 3.021 123.512 120.570 -0.130 0.000 2.339 188 I HA 0.254 4.419 4.170 -0.009 0.000 0.290 188 I C -0.882 175.115 176.117 -0.199 0.000 0.994 188 I CA -0.718 60.546 61.300 -0.060 0.000 1.191 188 I CB 0.607 38.591 38.000 -0.025 0.000 1.343 188 I HN 0.418 nan 8.210 nan 0.000 0.458 189 Y N 5.574 125.856 120.300 -0.030 0.000 2.361 189 Y HA 0.486 5.030 4.550 -0.009 0.000 0.332 189 Y C 0.078 175.771 175.900 -0.345 0.000 1.101 189 Y CA -0.496 57.489 58.100 -0.192 0.000 1.137 189 Y CB 1.458 39.861 38.460 -0.096 0.000 1.207 189 Y HN 0.395 nan 8.280 nan 0.000 0.463 190 K N 2.945 123.055 120.400 -0.483 0.000 2.267 190 K HA 0.720 5.034 4.320 -0.009 0.000 0.246 190 K C -1.744 174.374 176.600 -0.803 0.000 0.954 190 K CA -0.773 55.272 56.287 -0.403 0.000 0.824 190 K CB 1.882 34.295 32.500 -0.145 0.000 1.167 190 K HN 0.410 nan 8.250 nan 0.000 0.431 191 F N 1.133 121.136 119.950 0.089 0.000 2.619 191 F HA 0.520 5.042 4.527 -0.009 0.000 0.308 191 F C -0.778 175.024 175.800 0.003 0.000 1.097 191 F CA -0.927 57.101 58.000 0.047 0.000 0.953 191 F CB 1.525 40.566 39.000 0.068 0.000 1.287 191 F HN 0.314 nan 8.300 nan 0.000 0.446 192 I N 2.288 122.923 120.570 0.109 0.000 2.534 192 I HA 0.485 4.649 4.170 -0.009 0.000 0.288 192 I C -1.574 174.453 176.117 -0.150 0.000 1.077 192 I CA -0.499 60.792 61.300 -0.016 0.000 1.051 192 I CB 1.652 39.669 38.000 0.030 0.000 1.234 192 I HN 0.629 nan 8.210 nan 0.000 0.425 193 Q N 6.404 125.990 119.800 -0.356 0.000 2.456 193 Q HA 0.365 4.699 4.340 -0.009 0.000 0.252 193 Q C -0.376 175.547 176.000 -0.129 0.000 1.042 193 Q CA -0.211 55.399 55.803 -0.322 0.000 0.766 193 Q CB 1.500 29.815 28.738 -0.704 0.000 1.196 193 Q HN 0.657 nan 8.270 nan 0.000 0.504 194 K N 1.509 121.872 120.400 -0.062 0.000 2.432 194 K HA 0.142 4.456 4.320 -0.009 0.000 0.196 194 K C -0.176 176.375 176.600 -0.081 0.000 1.038 194 K CA 0.300 56.556 56.287 -0.052 0.000 0.986 194 K CB 0.610 33.072 32.500 -0.064 0.000 0.782 194 K HN 0.325 nan 8.250 nan 0.000 0.485 195 V N 3.294 123.162 119.914 -0.076 0.000 2.407 195 V HA 0.177 4.291 4.120 -0.009 0.000 0.278 195 V C -2.403 173.704 176.094 0.022 0.000 1.037 195 V CA -2.435 59.788 62.300 -0.129 0.000 0.900 195 V CB 1.105 32.680 31.823 -0.414 0.000 0.983 195 V HN -0.011 nan 8.190 nan 0.000 0.459 196 P HA 0.265 nan 4.420 nan 0.000 0.267 196 P C -0.565 176.820 177.300 0.141 0.000 1.205 196 P CA 0.286 63.430 63.100 0.072 0.000 0.765 196 P CB 0.277 31.997 31.700 0.034 0.000 0.828 197 I N 0.857 121.499 120.570 0.120 0.000 2.934 197 I HA 0.725 4.890 4.170 -0.009 0.000 0.306 197 I C -2.798 173.309 176.117 -0.017 0.000 1.110 197 I CA -3.497 57.850 61.300 0.079 0.000 1.019 197 I CB 2.727 40.777 38.000 0.083 0.000 1.227 197 I HN 0.061 nan 8.210 nan 0.000 0.434 198 P HA 0.075 nan 4.420 nan 0.000 0.275 198 P C 0.839 178.024 177.300 -0.193 0.000 1.228 198 P CA -0.354 62.662 63.100 -0.139 0.000 0.786 198 P CB 1.191 32.787 31.700 -0.173 0.000 0.927 199 C N 1.068 120.330 119.300 -0.064 0.000 2.422 199 C HA -0.115 4.339 4.460 -0.009 0.000 0.286 199 C C 2.521 177.486 174.990 -0.043 0.000 1.412 199 C CA 0.332 59.309 59.018 -0.069 0.000 1.786 199 C CB -2.634 25.084 27.740 -0.037 0.000 1.835 199 C HN 0.636 nan 8.230 nan 0.000 0.533 200 Y N 0.708 121.037 120.300 0.048 0.000 2.574 200 Y HA 0.264 4.809 4.550 -0.008 0.000 0.294 200 Y C 1.787 177.679 175.900 -0.013 0.000 1.142 200 Y CA 0.532 58.669 58.100 0.063 0.000 1.314 200 Y CB -0.866 37.729 38.460 0.225 0.000 0.991 200 Y HN 0.273 nan 8.280 nan 0.000 0.555 201 L N 0.898 121.877 121.223 -0.406 0.000 2.592 201 L HA 0.222 4.556 4.340 -0.009 0.000 0.227 201 L C 0.256 177.003 176.870 -0.205 0.000 1.127 201 L CA -0.126 54.511 54.840 -0.340 0.000 0.884 201 L CB -0.064 41.725 42.059 -0.450 0.000 1.065 201 L HN 0.165 nan 8.230 nan 0.000 0.457 202 I N 1.052 121.505 120.570 -0.195 0.000 2.533 202 I HA 0.197 4.362 4.170 -0.009 0.000 0.284 202 I C 0.431 176.416 176.117 -0.220 0.000 1.109 202 I CA 0.147 61.288 61.300 -0.266 0.000 1.412 202 I CB 0.785 38.544 38.000 -0.401 0.000 1.396 202 I HN 0.032 nan 8.210 nan 0.000 0.543 203 A N 7.165 129.857 122.820 -0.214 0.000 2.515 203 A HA 0.890 5.204 4.320 -0.009 0.000 0.298 203 A C -1.542 175.966 177.584 -0.125 0.000 1.059 203 A CA -0.500 51.419 52.037 -0.196 0.000 0.698 203 A CB 1.903 20.647 19.000 -0.426 0.000 1.289 203 A HN 0.572 nan 8.150 nan 0.000 0.404 204 L N 1.584 122.796 121.223 -0.018 0.000 2.482 204 L HA 0.812 5.146 4.340 -0.009 0.000 0.263 204 L C -1.684 175.194 176.870 0.012 0.000 0.957 204 L CA -0.324 54.467 54.840 -0.082 0.000 0.836 204 L CB 2.214 44.181 42.059 -0.153 0.000 1.324 204 L HN 0.585 nan 8.230 nan 0.000 0.406 205 V N 4.670 124.513 119.914 -0.118 0.000 2.789 205 V HA 0.760 4.874 4.120 -0.009 0.000 0.311 205 V C -1.017 174.889 176.094 -0.314 0.000 1.073 205 V CA -0.656 61.514 62.300 -0.217 0.000 0.921 205 V CB 2.310 33.924 31.823 -0.349 0.000 1.009 205 V HN 0.546 nan 8.190 nan 0.000 0.426 206 V N 2.778 122.486 119.914 -0.343 0.000 2.569 206 V HA 1.008 5.123 4.120 -0.009 0.000 0.301 206 V C 0.313 176.183 176.094 -0.373 0.000 1.044 206 V CA 0.296 62.450 62.300 -0.243 0.000 0.874 206 V CB 1.363 33.196 31.823 0.016 0.000 1.002 206 V HN 1.200 nan 8.190 nan 0.000 0.424 207 G N 2.822 111.393 108.800 -0.381 0.000 2.430 207 G HA2 0.606 4.560 3.960 -0.009 0.000 0.300 207 G HA3 0.606 4.560 3.960 -0.009 0.000 0.300 207 G C -1.012 173.797 174.900 -0.152 0.000 1.330 207 G CA -0.063 44.828 45.100 -0.349 0.000 0.813 207 G HN 1.057 nan 8.290 nan 0.000 0.487 208 A N 0.493 123.311 122.820 -0.004 0.000 3.004 208 A HA 0.642 4.957 4.320 -0.009 0.000 0.286 208 A C 0.094 177.737 177.584 0.098 0.000 1.632 208 A CA -0.074 51.970 52.037 0.012 0.000 1.339 208 A CB -0.970 18.071 19.000 0.068 0.000 1.136 208 A HN 0.513 nan 8.150 nan 0.000 0.577 209 L N 1.644 122.921 121.223 0.090 0.000 2.309 209 L HA 0.488 4.822 4.340 -0.009 0.000 0.282 209 L C 0.271 177.297 176.870 0.260 0.000 1.036 209 L CA -0.377 54.583 54.840 0.200 0.000 0.806 209 L CB 1.451 43.628 42.059 0.197 0.000 1.220 209 L HN 0.594 nan 8.230 nan 0.000 0.429 210 E N 1.364 121.696 120.200 0.219 0.000 2.339 210 E HA 0.649 4.993 4.350 -0.009 0.000 0.262 210 E C -1.120 175.413 176.600 -0.112 0.000 0.934 210 E CA -0.728 55.722 56.400 0.083 0.000 0.802 210 E CB 2.442 32.161 29.700 0.032 0.000 1.275 210 E HN 0.596 nan 8.360 nan 0.000 0.427 211 S N 0.557 116.016 115.700 -0.401 0.000 2.569 211 S HA 0.699 5.163 4.470 -0.009 0.000 0.280 211 S C -0.773 173.577 174.600 -0.416 0.000 1.111 211 S CA -1.025 56.725 58.200 -0.750 0.000 0.887 211 S CB 2.503 64.636 63.200 -1.779 0.000 1.095 211 S HN 0.572 nan 8.310 nan 0.000 0.476 212 R N 1.028 121.322 120.500 -0.343 0.000 2.574 212 R HA 0.416 4.750 4.340 -0.009 0.000 0.288 212 R C -1.058 175.150 176.300 -0.154 0.000 1.004 212 R CA -0.456 55.532 56.100 -0.186 0.000 0.895 212 R CB 1.792 32.035 30.300 -0.095 0.000 1.191 212 R HN 0.871 nan 8.270 nan 0.000 0.444 213 Q N 4.069 123.809 119.800 -0.101 0.000 2.332 213 Q HA 0.200 4.535 4.340 -0.009 0.000 0.263 213 Q C 0.453 176.448 176.000 -0.007 0.000 0.979 213 Q CA 0.095 55.869 55.803 -0.047 0.000 0.885 213 Q CB 0.822 29.546 28.738 -0.023 0.000 1.218 213 Q HN 0.782 nan 8.270 nan 0.000 0.405 214 I N -0.163 120.421 120.570 0.022 0.000 4.338 214 I HA 0.594 4.759 4.170 -0.009 0.000 0.329 214 I C 0.290 176.440 176.117 0.055 0.000 1.378 214 I CA -0.288 61.040 61.300 0.046 0.000 1.170 214 I CB 1.048 39.092 38.000 0.074 0.000 1.206 214 I HN 0.528 nan 8.210 nan 0.000 0.432 215 G N 1.414 110.246 108.800 0.054 0.000 2.559 215 G HA2 0.403 4.358 3.960 -0.009 0.000 0.291 215 G HA3 0.403 4.358 3.960 -0.009 0.000 0.291 215 G C -2.779 172.155 174.900 0.056 0.000 1.424 215 G CA -0.433 44.701 45.100 0.056 0.000 0.786 215 G HN -0.240 nan 8.290 nan 0.000 0.485 216 P HA -0.013 nan 4.420 nan 0.000 0.223 216 P C 0.859 178.205 177.300 0.075 0.000 1.151 216 P CA 0.817 63.952 63.100 0.058 0.000 0.787 216 P CB 0.215 31.947 31.700 0.053 0.000 0.788 217 R N -1.897 118.656 120.500 0.088 0.000 2.642 217 R HA 0.372 4.707 4.340 -0.009 0.000 0.435 217 R C -0.717 175.670 176.300 0.145 0.000 1.046 217 R CA -0.295 55.877 56.100 0.120 0.000 1.103 217 R CB -0.202 30.175 30.300 0.129 0.000 1.425 217 R HN -0.193 nan 8.270 nan 0.000 0.586 218 T N 2.021 116.648 114.554 0.122 0.000 3.011 218 T HA 0.422 4.766 4.350 -0.009 0.000 0.303 218 T C -0.655 174.092 174.700 0.079 0.000 0.997 218 T CA -0.536 61.642 62.100 0.130 0.000 1.007 218 T CB 1.878 70.846 68.868 0.168 0.000 1.017 218 T HN 0.101 nan 8.240 nan 0.000 0.443 219 L N 2.520 123.785 121.223 0.069 0.000 2.325 219 L HA 0.730 5.064 4.340 -0.009 0.000 0.278 219 L C 0.040 176.884 176.870 -0.043 0.000 1.023 219 L CA -1.300 53.502 54.840 -0.062 0.000 0.811 219 L CB 1.745 43.680 42.059 -0.206 0.000 1.249 219 L HN 0.330 nan 8.230 nan 0.000 0.431 220 V N 2.213 122.067 119.914 -0.100 0.000 2.439 220 V HA 0.373 4.487 4.120 -0.009 0.000 0.282 220 V C -1.237 174.760 176.094 -0.162 0.000 1.039 220 V CA -0.237 62.058 62.300 -0.009 0.000 0.913 220 V CB 1.235 33.122 31.823 0.108 0.000 0.983 220 V HN 0.602 nan 8.190 nan 0.000 0.460 221 W N 5.068 126.368 121.300 0.001 0.000 2.573 221 W HA 0.772 5.427 4.660 -0.009 0.000 0.326 221 W C 0.148 176.659 176.519 -0.014 0.000 1.049 221 W CA -0.050 57.287 57.345 -0.014 0.000 1.220 221 W CB 2.018 31.446 29.460 -0.054 0.000 1.373 221 W HN 0.794 nan 8.180 nan 0.000 0.507 222 S N -0.102 115.733 115.700 0.225 0.000 2.683 222 S HA 0.404 4.868 4.470 -0.009 0.000 0.269 222 S C -0.905 173.794 174.600 0.164 0.000 1.165 222 S CA -1.292 57.006 58.200 0.163 0.000 0.840 222 S CB 1.223 64.488 63.200 0.108 0.000 1.169 222 S HN 0.479 nan 8.310 nan 0.000 0.490 223 E N 1.180 121.469 120.200 0.147 0.000 2.422 223 E HA 0.113 4.458 4.350 -0.009 0.000 0.260 223 E C 1.067 177.721 176.600 0.089 0.000 1.108 223 E CA -0.042 56.437 56.400 0.132 0.000 0.943 223 E CB 0.579 30.348 29.700 0.115 0.000 0.961 223 E HN 0.706 nan 8.360 nan 0.000 0.443 224 K N 1.566 122.014 120.400 0.080 0.000 2.113 224 K HA -0.259 4.055 4.320 -0.009 0.000 0.208 224 K C 1.235 177.859 176.600 0.040 0.000 1.047 224 K CA 1.736 58.056 56.287 0.054 0.000 0.928 224 K CB -0.081 32.450 32.500 0.052 0.000 0.716 224 K HN 0.291 nan 8.250 nan 0.000 0.446 225 E N 0.774 120.999 120.200 0.041 0.000 2.267 225 E HA -0.166 4.178 4.350 -0.009 0.000 0.197 225 E C 1.577 178.192 176.600 0.024 0.000 0.998 225 E CA 1.326 57.743 56.400 0.028 0.000 0.830 225 E CB 0.015 29.731 29.700 0.026 0.000 0.751 225 E HN 0.427 nan 8.360 nan 0.000 0.491 226 Q N -1.168 118.652 119.800 0.033 0.000 2.281 226 Q HA 0.145 4.479 4.340 -0.009 0.000 0.215 226 Q C 1.681 177.703 176.000 0.038 0.000 0.867 226 Q CA -0.021 55.803 55.803 0.034 0.000 0.940 226 Q CB 0.676 29.440 28.738 0.044 0.000 1.111 226 Q HN 0.086 nan 8.270 nan 0.000 0.513 227 V N 0.837 120.771 119.914 0.034 0.000 2.255 227 V HA -0.302 3.812 4.120 -0.009 0.000 0.247 227 V C 2.180 178.287 176.094 0.022 0.000 1.051 227 V CA 2.326 64.642 62.300 0.026 0.000 1.018 227 V CB -0.354 31.472 31.823 0.005 0.000 0.641 227 V HN 0.479 nan 8.190 nan 0.000 0.445 228 E N 0.201 120.408 120.200 0.012 0.000 2.051 228 E HA -0.300 4.045 4.350 -0.009 0.000 0.192 228 E C 2.324 178.934 176.600 0.017 0.000 0.991 228 E CA 1.757 58.164 56.400 0.011 0.000 0.799 228 E CB -0.092 29.606 29.700 -0.003 0.000 0.748 228 E HN 0.562 nan 8.360 nan 0.000 0.449 229 K N 0.072 120.472 120.400 -0.000 0.000 2.057 229 K HA -0.114 4.201 4.320 -0.009 0.000 0.207 229 K C 2.232 178.803 176.600 -0.049 0.000 1.049 229 K CA 1.713 57.991 56.287 -0.015 0.000 0.931 229 K CB -0.030 32.454 32.500 -0.026 0.000 0.714 229 K HN -0.027 nan 8.250 nan 0.000 0.440 230 S N 0.480 116.157 115.700 -0.039 0.000 2.368 230 S HA -0.128 4.337 4.470 -0.009 0.000 0.225 230 S C 2.027 176.605 174.600 -0.036 0.000 1.030 230 S CA 1.074 59.229 58.200 -0.075 0.000 0.999 230 S CB -0.323 62.978 63.200 0.169 0.000 0.844 230 S HN 0.530 nan 8.310 nan 0.000 0.459 231 A N 0.525 123.375 122.820 0.049 0.000 1.908 231 A HA -0.178 4.136 4.320 -0.009 0.000 0.218 231 A C 1.989 179.609 177.584 0.061 0.000 1.181 231 A CA 1.816 53.898 52.037 0.074 0.000 0.627 231 A CB -0.913 18.123 19.000 0.060 0.000 0.818 231 A HN 0.612 nan 8.150 nan 0.000 0.445 232 Y N 0.103 120.358 120.300 -0.074 0.000 2.184 232 Y HA -0.078 4.467 4.550 -0.009 0.000 0.290 232 Y C 2.337 178.158 175.900 -0.132 0.000 1.129 232 Y CA 2.052 60.107 58.100 -0.075 0.000 1.144 232 Y CB -0.285 38.130 38.460 -0.074 0.000 0.995 232 Y HN 0.384 nan 8.280 nan 0.000 0.513 233 E N -0.146 119.913 120.200 -0.235 0.000 2.118 233 E HA -0.186 4.158 4.350 -0.009 0.000 0.195 233 E C 0.818 177.131 176.600 -0.480 0.000 0.992 233 E CA 1.676 57.767 56.400 -0.515 0.000 0.804 233 E CB -0.353 28.779 29.700 -0.947 0.000 0.741 233 E HN 0.466 nan 8.360 nan 0.000 0.458 234 F N -0.419 119.536 119.950 0.009 0.000 2.647 234 F HA 0.247 4.769 4.527 -0.009 0.000 0.300 234 F C 1.744 177.552 175.800 0.015 0.000 1.106 234 F CA 0.186 58.208 58.000 0.037 0.000 1.313 234 F CB -0.266 38.780 39.000 0.077 0.000 1.007 234 F HN -0.018 nan 8.300 nan 0.000 0.536 235 S N -0.710 115.017 115.700 0.046 0.000 2.469 235 S HA -0.178 4.286 4.470 -0.009 0.000 0.238 235 S C 1.405 176.026 174.600 0.035 0.000 0.998 235 S CA 1.039 59.245 58.200 0.011 0.000 0.957 235 S CB -0.460 62.677 63.200 -0.106 0.000 0.764 235 S HN 0.520 nan 8.310 nan 0.000 0.514 236 E N 0.886 121.123 120.200 0.062 0.000 2.511 236 E HA 0.003 4.348 4.350 -0.009 0.000 0.196 236 E C 1.557 178.204 176.600 0.077 0.000 1.066 236 E CA 0.742 57.182 56.400 0.067 0.000 0.871 236 E CB -0.322 29.440 29.700 0.104 0.000 0.863 236 E HN 0.557 nan 8.360 nan 0.000 0.520 237 T N 1.172 115.795 114.554 0.116 0.000 2.635 237 T HA -0.254 4.091 4.350 -0.009 0.000 0.267 237 T C 1.796 176.520 174.700 0.041 0.000 1.040 237 T CA 1.792 63.959 62.100 0.112 0.000 1.156 237 T CB -0.186 68.800 68.868 0.196 0.000 0.863 237 T HN 0.184 nan 8.240 nan 0.000 0.430 238 E N 1.212 121.439 120.200 0.045 0.000 2.085 238 E HA -0.111 4.234 4.350 -0.009 0.000 0.194 238 E C 2.353 178.949 176.600 -0.006 0.000 0.994 238 E CA 1.667 58.076 56.400 0.015 0.000 0.801 238 E CB -0.537 29.180 29.700 0.029 0.000 0.743 238 E HN 0.383 nan 8.360 nan 0.000 0.453 239 S N -0.134 115.564 115.700 -0.004 0.000 2.370 239 S HA -0.172 4.292 4.470 -0.009 0.000 0.226 239 S C 1.971 176.550 174.600 -0.034 0.000 1.033 239 S CA 1.632 59.818 58.200 -0.023 0.000 1.011 239 S CB -0.303 62.876 63.200 -0.034 0.000 0.852 239 S HN 0.331 nan 8.310 nan 0.000 0.457 240 M N 0.685 120.270 119.600 -0.025 0.000 2.175 240 M HA -0.021 4.453 4.480 -0.009 0.000 0.264 240 M C 1.990 178.262 176.300 -0.047 0.000 1.063 240 M CA 1.187 56.470 55.300 -0.029 0.000 1.119 240 M CB -0.605 31.996 32.600 0.003 0.000 1.377 240 M HN 0.229 nan 8.290 nan 0.000 0.415 241 L N 0.128 121.307 121.223 -0.073 0.000 2.042 241 L HA -0.249 4.085 4.340 -0.009 0.000 0.210 241 L C 2.501 179.367 176.870 -0.007 0.000 1.076 241 L CA 1.502 56.296 54.840 -0.077 0.000 0.749 241 L CB -0.563 41.395 42.059 -0.169 0.000 0.893 241 L HN 0.279 nan 8.230 nan 0.000 0.432 242 K N 0.004 120.394 120.400 -0.017 0.000 2.057 242 K HA -0.131 4.183 4.320 -0.009 0.000 0.206 242 K C 2.050 178.631 176.600 -0.032 0.000 1.050 242 K CA 1.296 57.580 56.287 -0.005 0.000 0.935 242 K CB -0.180 32.317 32.500 -0.005 0.000 0.715 242 K HN 0.239 nan 8.250 nan 0.000 0.439 243 I N 1.055 121.593 120.570 -0.053 0.000 2.179 243 I HA -0.274 3.890 4.170 -0.009 0.000 0.242 243 I C 2.519 178.552 176.117 -0.139 0.000 1.088 243 I CA 1.165 62.419 61.300 -0.077 0.000 1.357 243 I CB -0.413 37.548 38.000 -0.065 0.000 1.051 243 I HN 0.125 nan 8.210 nan 0.000 0.409 244 A N 0.418 123.139 122.820 -0.165 0.000 1.908 244 A HA -0.250 4.065 4.320 -0.009 0.000 0.218 244 A C 2.235 179.415 177.584 -0.673 0.000 1.181 244 A CA 1.865 53.663 52.037 -0.398 0.000 0.627 244 A CB -0.635 18.208 19.000 -0.261 0.000 0.818 244 A HN 0.470 nan 8.150 nan 0.000 0.445 245 E N -0.801 119.244 120.200 -0.258 0.000 2.110 245 E HA -0.219 4.126 4.350 -0.009 0.000 0.193 245 E C 1.726 178.247 176.600 -0.131 0.000 0.988 245 E CA 1.162 57.523 56.400 -0.065 0.000 0.804 245 E CB -0.175 29.619 29.700 0.156 0.000 0.745 245 E HN 0.702 nan 8.360 nan 0.000 0.458 246 D N 0.442 120.767 120.400 -0.124 0.000 2.144 246 D HA -0.126 4.508 4.640 -0.009 0.000 0.199 246 D C 1.830 178.042 176.300 -0.147 0.000 0.984 246 D CA 0.934 54.874 54.000 -0.099 0.000 0.834 246 D CB 0.081 40.837 40.800 -0.073 0.000 0.955 246 D HN 0.098 nan 8.370 nan 0.000 0.465 247 L N -1.218 119.867 121.223 -0.230 0.000 2.162 247 L HA 0.250 4.584 4.340 -0.009 0.000 0.205 247 L C 2.379 179.069 176.870 -0.300 0.000 1.086 247 L CA 1.057 55.759 54.840 -0.230 0.000 0.778 247 L CB -0.192 41.736 42.059 -0.218 0.000 0.928 247 L HN 0.116 nan 8.230 nan 0.000 0.446 248 G N -0.999 107.467 108.800 -0.557 0.000 2.850 248 G HA2 0.462 4.416 3.960 -0.009 0.000 0.211 248 G HA3 0.462 4.416 3.960 -0.009 0.000 0.211 248 G C 0.715 175.404 174.900 -0.352 0.000 1.124 248 G CA 0.507 45.175 45.100 -0.720 0.000 0.769 248 G HN 0.505 nan 8.290 nan 0.000 0.535 249 G N -0.329 108.367 108.800 -0.174 0.000 2.631 249 G HA2 -0.015 3.939 3.960 -0.009 0.000 0.504 249 G HA3 -0.015 3.939 3.960 -0.009 0.000 0.504 249 G C -3.036 172.082 174.900 0.363 0.000 1.306 249 G CA -0.753 44.403 45.100 0.094 0.000 0.897 249 G HN 0.167 nan 8.290 nan 0.000 0.520 250 P HA 0.220 nan 4.420 nan 0.000 0.264 250 P C -0.476 177.088 177.300 0.441 0.000 1.183 250 P CA 0.235 63.524 63.100 0.314 0.000 0.763 250 P CB 0.184 31.975 31.700 0.152 0.000 0.807 251 Y N 4.474 124.965 120.300 0.319 0.000 2.531 251 Y HA 0.177 4.721 4.550 -0.009 0.000 0.347 251 Y C 1.195 177.086 175.900 -0.015 0.000 1.024 251 Y CA -0.074 58.098 58.100 0.120 0.000 1.306 251 Y CB 0.321 38.901 38.460 0.200 0.000 1.149 251 Y HN 0.200 nan 8.280 nan 0.000 0.527 252 V N 3.064 122.588 119.914 -0.650 0.000 3.647 252 V HA 0.037 4.152 4.120 -0.009 0.000 0.279 252 V C 0.580 176.216 176.094 -0.764 0.000 1.314 252 V CA 0.193 62.106 62.300 -0.644 0.000 1.125 252 V CB -0.782 30.639 31.823 -0.670 0.000 0.907 252 V HN 0.830 nan 8.190 nan 0.000 0.434 253 W N 1.203 122.023 121.300 -0.801 0.000 3.290 253 W HA 0.655 5.309 4.660 -0.009 0.000 0.287 253 W C 1.864 178.301 176.519 -0.136 0.000 1.288 253 W CA 0.691 57.739 57.345 -0.496 0.000 1.725 253 W CB 0.084 29.185 29.460 -0.598 0.000 1.103 253 W HN 0.505 nan 8.180 nan 0.000 0.670 254 G N 1.171 110.060 108.800 0.150 0.000 4.163 254 G HA2 -0.337 3.618 3.960 -0.009 0.000 0.300 254 G HA3 -0.337 3.618 3.960 -0.009 0.000 0.300 254 G C 0.422 175.571 174.900 0.415 0.000 1.488 254 G CA 0.378 45.627 45.100 0.247 0.000 1.052 254 G HN 0.366 nan 8.290 nan 0.000 0.687 255 Q N -0.331 119.696 119.800 0.379 0.000 2.221 255 Q HA 0.689 5.024 4.340 -0.009 0.000 0.242 255 Q C -0.925 175.360 176.000 0.475 0.000 0.940 255 Q CA -0.882 55.137 55.803 0.359 0.000 0.896 255 Q CB 1.828 30.713 28.738 0.245 0.000 1.226 255 Q HN 0.825 nan 8.270 nan 0.000 0.463 256 Y N 1.628 122.043 120.300 0.192 0.000 2.749 256 Y HA 0.321 4.865 4.550 -0.010 0.000 0.343 256 Y C -1.535 174.432 175.900 0.112 0.000 1.015 256 Y CA -0.872 57.298 58.100 0.116 0.000 1.270 256 Y CB 0.715 39.105 38.460 -0.117 0.000 1.097 256 Y HN 0.730 nan 8.280 nan 0.000 0.571 257 D N 3.726 124.017 120.400 -0.182 0.000 2.340 257 D HA 0.486 5.121 4.640 -0.009 0.000 0.251 257 D C -0.785 175.359 176.300 -0.259 0.000 1.080 257 D CA -0.058 53.905 54.000 -0.060 0.000 0.971 257 D CB 1.811 42.731 40.800 0.201 0.000 1.137 257 D HN 0.505 nan 8.370 nan 0.000 0.475 258 L N 1.138 122.332 121.223 -0.049 0.000 2.365 258 L HA 0.466 4.800 4.340 -0.009 0.000 0.273 258 L C -0.993 175.908 176.870 0.051 0.000 1.000 258 L CA -1.045 53.742 54.840 -0.089 0.000 0.819 258 L CB 1.828 43.816 42.059 -0.119 0.000 1.284 258 L HN 0.101 nan 8.230 nan 0.000 0.418 259 L N 3.923 125.111 121.223 -0.058 0.000 2.333 259 L HA 0.588 4.923 4.340 -0.009 0.000 0.280 259 L C -0.902 175.842 176.870 -0.210 0.000 1.004 259 L CA -0.322 54.441 54.840 -0.129 0.000 0.820 259 L CB 1.878 43.681 42.059 -0.427 0.000 1.247 259 L HN 0.258 nan 8.230 nan 0.000 0.416 260 V N 6.537 126.396 119.914 -0.091 0.000 2.333 260 V HA 0.363 4.478 4.120 -0.009 0.000 0.274 260 V C 0.409 176.409 176.094 -0.158 0.000 1.028 260 V CA -0.463 61.791 62.300 -0.076 0.000 0.851 260 V CB 0.879 32.766 31.823 0.106 0.000 1.000 260 V HN 0.659 nan 8.190 nan 0.000 0.456 261 L N 7.238 128.271 121.223 -0.316 0.000 2.479 261 L HA 0.447 4.781 4.340 -0.009 0.000 0.249 261 L C -1.967 174.732 176.870 -0.285 0.000 1.178 261 L CA -1.372 53.226 54.840 -0.404 0.000 0.811 261 L CB 0.286 41.891 42.059 -0.756 0.000 1.187 261 L HN 0.413 nan 8.230 nan 0.000 0.480 262 P HA 0.101 nan 4.420 nan 0.000 0.273 262 P C -2.232 175.008 177.300 -0.100 0.000 1.250 262 P CA -0.987 61.962 63.100 -0.252 0.000 0.793 262 P CB -0.062 31.432 31.700 -0.342 0.000 1.011 263 P HA -0.107 nan 4.420 nan 0.000 0.226 263 P C 1.017 178.357 177.300 0.067 0.000 1.153 263 P CA 1.281 64.400 63.100 0.033 0.000 0.777 263 P CB -0.330 31.395 31.700 0.041 0.000 0.794 264 S N -1.944 113.823 115.700 0.111 0.000 2.603 264 S HA -0.006 4.458 4.470 -0.009 0.000 0.220 264 S C 0.499 175.206 174.600 0.179 0.000 0.967 264 S CA -0.482 57.820 58.200 0.170 0.000 0.920 264 S CB -1.326 62.031 63.200 0.262 0.000 0.773 264 S HN -0.032 nan 8.310 nan 0.000 0.529 265 F N 4.810 124.702 119.950 -0.097 0.000 2.602 265 F HA 0.248 4.770 4.527 -0.008 0.000 0.385 265 F C -1.561 174.106 175.800 -0.221 0.000 1.063 265 F CA -2.248 55.608 58.000 -0.240 0.000 1.233 265 F CB 0.814 39.574 39.000 -0.401 0.000 1.067 265 F HN 0.024 nan 8.300 nan 0.000 0.564 266 P HA -0.063 nan 4.420 nan 0.000 0.236 266 P C -0.943 175.627 177.300 -1.217 0.000 1.177 266 P CA 1.234 63.694 63.100 -1.066 0.000 0.773 266 P CB 0.087 30.983 31.700 -1.340 0.000 0.878 267 Y N -1.786 118.039 120.300 -0.791 0.000 2.633 267 Y HA 0.565 5.109 4.550 -0.010 0.000 0.339 267 Y C 2.111 177.967 175.900 -0.074 0.000 1.045 267 Y CA -0.635 57.233 58.100 -0.387 0.000 1.098 267 Y CB 0.138 38.404 38.460 -0.323 0.000 1.296 267 Y HN -0.329 nan 8.280 nan 0.000 0.494 268 G N -0.172 108.702 108.800 0.124 0.000 2.418 268 G HA2 0.303 4.258 3.960 -0.009 0.000 0.217 268 G HA3 0.303 4.258 3.960 -0.009 0.000 0.217 268 G C 0.372 175.425 174.900 0.255 0.000 1.158 268 G CA 0.944 46.109 45.100 0.108 0.000 0.771 268 G HN 0.966 nan 8.290 nan 0.000 0.545 269 G N -1.794 107.212 108.800 0.343 0.000 2.646 269 G HA2 0.510 4.464 3.960 -0.009 0.000 0.291 269 G HA3 0.510 4.464 3.960 -0.009 0.000 0.291 269 G C -1.816 173.322 174.900 0.397 0.000 1.445 269 G CA -0.666 44.657 45.100 0.372 0.000 0.814 269 G HN 0.280 nan 8.290 nan 0.000 0.495 270 M N 1.594 121.390 119.600 0.327 0.000 2.213 270 M HA 0.367 4.841 4.480 -0.009 0.000 0.286 270 M C 0.294 176.616 176.300 0.037 0.000 1.008 270 M CA -1.140 54.266 55.300 0.176 0.000 0.937 270 M CB 1.832 34.558 32.600 0.210 0.000 1.600 270 M HN 0.562 nan 8.290 nan 0.000 0.450 271 E N 2.506 122.717 120.200 0.019 0.000 2.651 271 E HA 0.016 4.361 4.350 -0.009 0.000 0.236 271 E C -1.058 175.444 176.600 -0.163 0.000 1.422 271 E CA 0.060 56.456 56.400 -0.007 0.000 1.534 271 E CB -1.182 28.518 29.700 0.000 0.000 1.381 271 E HN 0.805 nan 8.360 nan 0.000 0.435 272 N N 3.690 122.243 118.700 -0.245 0.000 2.411 272 N HA 0.029 4.764 4.740 -0.009 0.000 0.261 272 N C -2.337 172.993 175.510 -0.301 0.000 1.248 272 N CA -0.821 52.029 53.050 -0.334 0.000 0.885 272 N CB 0.407 38.569 38.487 -0.540 0.000 1.062 272 N HN 0.231 nan 8.380 nan 0.000 0.471 273 P HA -0.058 nan 4.420 nan 0.000 0.268 273 P C 0.137 177.309 177.300 -0.213 0.000 1.204 273 P CA -0.054 62.744 63.100 -0.504 0.000 0.768 273 P CB 0.613 31.897 31.700 -0.695 0.000 0.842 274 C N 0.763 119.997 119.300 -0.110 0.000 5.688 274 C HA -0.204 4.250 4.460 -0.009 0.000 0.291 274 C C 0.482 175.443 174.990 -0.048 0.000 2.111 274 C CA 0.695 59.736 59.018 0.037 0.000 1.870 274 C CB -2.392 25.394 27.740 0.078 0.000 2.828 274 C HN 0.653 nan 8.230 nan 0.000 0.449 275 L N 1.172 122.323 121.223 -0.120 0.000 2.490 275 L HA 0.455 4.789 4.340 -0.009 0.000 0.261 275 L C 0.041 176.879 176.870 -0.053 0.000 1.232 275 L CA 0.424 55.213 54.840 -0.086 0.000 0.892 275 L CB 0.679 42.742 42.059 0.006 0.000 1.085 275 L HN 0.190 nan 8.230 nan 0.000 0.491 276 T N 3.658 118.097 114.554 -0.192 0.000 2.902 276 T HA 0.298 4.642 4.350 -0.009 0.000 0.301 276 T C -0.195 174.582 174.700 0.128 0.000 1.012 276 T CA 0.621 62.685 62.100 -0.061 0.000 1.151 276 T CB -0.074 68.746 68.868 -0.081 0.000 0.946 276 T HN 0.133 nan 8.240 nan 0.000 0.542 277 F N 3.537 123.360 119.950 -0.210 0.000 2.394 277 F HA 0.529 5.050 4.527 -0.009 0.000 0.340 277 F C 0.520 176.102 175.800 -0.363 0.000 1.105 277 F CA -1.572 56.193 58.000 -0.392 0.000 1.124 277 F CB 0.829 39.462 39.000 -0.612 0.000 1.145 277 F HN 0.264 nan 8.300 nan 0.000 0.505 278 V N -0.491 119.269 119.914 -0.257 0.000 2.962 278 V HA 0.626 4.740 4.120 -0.009 0.000 0.313 278 V C -0.149 175.867 176.094 -0.130 0.000 1.099 278 V CA -0.908 61.315 62.300 -0.129 0.000 0.971 278 V CB 1.324 33.053 31.823 -0.156 0.000 1.028 278 V HN 0.735 nan 8.190 nan 0.000 0.430 279 T N 3.611 118.226 114.554 0.102 0.000 2.930 279 T HA 0.316 4.660 4.350 -0.009 0.000 0.306 279 T C -1.034 173.737 174.700 0.118 0.000 1.045 279 T CA -0.471 61.713 62.100 0.140 0.000 1.134 279 T CB 1.062 70.029 68.868 0.167 0.000 0.961 279 T HN 0.862 nan 8.240 nan 0.000 0.545 280 P HA -0.003 nan 4.420 nan 0.000 0.237 280 P C 1.261 178.642 177.300 0.135 0.000 1.178 280 P CA 0.693 63.861 63.100 0.113 0.000 0.766 280 P CB -0.362 31.372 31.700 0.056 0.000 0.876 281 T N -2.898 111.748 114.554 0.153 0.000 3.155 281 T HA -0.017 4.328 4.350 -0.009 0.000 0.264 281 T C 1.665 176.489 174.700 0.207 0.000 1.160 281 T CA 0.481 62.697 62.100 0.194 0.000 1.075 281 T CB -1.100 67.953 68.868 0.308 0.000 0.921 281 T HN 0.090 nan 8.240 nan 0.000 0.533 282 L N -0.121 121.237 121.223 0.225 0.000 2.492 282 L HA 0.306 4.641 4.340 -0.009 0.000 0.223 282 L C 1.091 178.066 176.870 0.176 0.000 1.132 282 L CA 0.237 55.233 54.840 0.260 0.000 0.850 282 L CB -0.373 41.940 42.059 0.423 0.000 0.966 282 L HN 0.292 nan 8.230 nan 0.000 0.454 283 L N 0.979 122.270 121.223 0.115 0.000 2.416 283 L HA 0.114 4.448 4.340 -0.009 0.000 0.243 283 L C 1.662 178.540 176.870 0.013 0.000 1.373 283 L CA -0.405 54.439 54.840 0.007 0.000 1.227 283 L CB 0.014 42.078 42.059 0.008 0.000 1.428 283 L HN 0.113 nan 8.230 nan 0.000 0.425 284 A N 0.793 123.625 122.820 0.019 0.000 2.119 284 A HA 0.234 4.549 4.320 -0.009 0.000 0.216 284 A C 1.904 179.492 177.584 0.008 0.000 1.152 284 A CA 0.958 53.005 52.037 0.017 0.000 0.708 284 A CB -0.110 18.901 19.000 0.019 0.000 0.805 284 A HN 0.770 nan 8.150 nan 0.000 0.460 285 G N -0.238 108.572 108.800 0.017 0.000 2.194 285 G HA2 -0.261 3.694 3.960 -0.009 0.000 0.236 285 G HA3 -0.261 3.694 3.960 -0.009 0.000 0.236 285 G C 0.252 175.222 174.900 0.117 0.000 0.987 285 G CA 0.941 46.061 45.100 0.034 0.000 0.635 285 G HN 0.959 nan 8.290 nan 0.000 0.520 286 D N -0.479 119.982 120.400 0.102 0.000 2.562 286 D HA 0.216 4.850 4.640 -0.009 0.000 0.246 286 D C 0.962 177.297 176.300 0.058 0.000 1.347 286 D CA 0.410 54.482 54.000 0.120 0.000 0.800 286 D CB -0.483 40.338 40.800 0.035 0.000 1.111 286 D HN 0.483 nan 8.370 nan 0.000 0.508 287 K N -0.121 120.295 120.400 0.026 0.000 3.407 287 K HA -0.228 4.086 4.320 -0.009 0.000 0.312 287 K C 1.161 177.800 176.600 0.064 0.000 1.302 287 K CA 1.065 57.358 56.287 0.011 0.000 0.931 287 K CB -2.347 30.132 32.500 -0.035 0.000 1.257 287 K HN 0.332 nan 8.250 nan 0.000 0.454 288 S N 0.316 116.033 115.700 0.029 0.000 2.474 288 S HA -0.042 4.423 4.470 -0.009 0.000 0.235 288 S C 1.308 175.983 174.600 0.126 0.000 0.997 288 S CA 0.687 58.886 58.200 -0.001 0.000 0.949 288 S CB -0.060 63.026 63.200 -0.190 0.000 0.766 288 S HN 0.418 nan 8.310 nan 0.000 0.517 289 L N 2.414 123.729 121.223 0.153 0.000 2.791 289 L HA 0.288 4.623 4.340 -0.009 0.000 0.239 289 L C 1.929 178.956 176.870 0.261 0.000 1.203 289 L CA 0.228 55.193 54.840 0.208 0.000 1.002 289 L CB -0.197 41.976 42.059 0.191 0.000 1.295 289 L HN 0.413 nan 8.230 nan 0.000 0.504 290 S N -0.561 115.308 115.700 0.281 0.000 2.547 290 S HA -0.151 4.313 4.470 -0.009 0.000 0.235 290 S C 1.738 176.510 174.600 0.287 0.000 0.980 290 S CA 0.778 59.164 58.200 0.311 0.000 0.941 290 S CB -0.495 62.889 63.200 0.307 0.000 0.763 290 S HN 0.673 nan 8.310 nan 0.000 0.532 291 N N 2.015 120.885 118.700 0.283 0.000 2.272 291 N HA -0.111 4.623 4.740 -0.009 0.000 0.185 291 N C 1.477 177.118 175.510 0.219 0.000 1.014 291 N CA 1.358 54.556 53.050 0.246 0.000 0.870 291 N CB -0.719 37.894 38.487 0.211 0.000 0.975 291 N HN 0.430 nan 8.380 nan 0.000 0.433 292 V N 1.475 121.511 119.914 0.203 0.000 2.427 292 V HA -0.138 3.977 4.120 -0.009 0.000 0.248 292 V C 2.552 178.780 176.094 0.223 0.000 1.051 292 V CA 0.851 63.261 62.300 0.183 0.000 1.048 292 V CB -0.360 31.550 31.823 0.146 0.000 0.666 292 V HN 0.205 nan 8.190 nan 0.000 0.456 293 I N 0.855 121.544 120.570 0.199 0.000 2.202 293 I HA -0.180 3.985 4.170 -0.009 0.000 0.242 293 I C 2.754 178.987 176.117 0.194 0.000 1.091 293 I CA 1.870 63.276 61.300 0.177 0.000 1.368 293 I CB -1.756 36.342 38.000 0.164 0.000 1.058 293 I HN 0.299 nan 8.210 nan 0.000 0.410 294 A N 0.163 123.100 122.820 0.194 0.000 1.940 294 A HA -0.299 4.016 4.320 -0.009 0.000 0.219 294 A C 2.316 180.004 177.584 0.174 0.000 1.176 294 A CA 2.236 54.369 52.037 0.160 0.000 0.631 294 A CB -1.154 17.947 19.000 0.168 0.000 0.814 294 A HN 0.572 nan 8.150 nan 0.000 0.446 295 H N -0.409 118.734 119.070 0.121 0.000 2.299 295 H HA -0.089 4.462 4.556 -0.010 0.000 0.302 295 H C 2.027 177.439 175.328 0.140 0.000 1.078 295 H CA 1.859 57.969 56.048 0.104 0.000 1.323 295 H CB 0.082 29.922 29.762 0.129 0.000 1.381 295 H HN 0.376 nan 8.280 nan 0.000 0.498 296 E N 0.563 120.978 120.200 0.359 0.000 2.077 296 E HA -0.147 4.197 4.350 -0.009 0.000 0.193 296 E C 2.564 179.343 176.600 0.298 0.000 0.989 296 E CA 1.060 57.686 56.400 0.376 0.000 0.800 296 E CB -0.323 29.598 29.700 0.369 0.000 0.746 296 E HN 0.607 nan 8.360 nan 0.000 0.452 297 I N 1.200 121.884 120.570 0.190 0.000 2.151 297 I HA -0.304 3.860 4.170 -0.009 0.000 0.243 297 I C 2.295 178.571 176.117 0.265 0.000 1.080 297 I CA 1.227 62.543 61.300 0.027 0.000 1.339 297 I CB -0.271 37.655 38.000 -0.123 0.000 1.039 297 I HN -0.022 nan 8.210 nan 0.000 0.409 298 S N -0.717 115.107 115.700 0.208 0.000 2.400 298 S HA -0.208 4.257 4.470 -0.009 0.000 0.232 298 S C 1.899 176.681 174.600 0.303 0.000 1.025 298 S CA 0.975 59.331 58.200 0.259 0.000 0.993 298 S CB -0.481 62.736 63.200 0.028 0.000 0.808 298 S HN 0.433 nan 8.310 nan 0.000 0.478 299 H N 1.487 120.645 119.070 0.147 0.000 2.518 299 H HA 0.073 4.624 4.556 -0.010 0.000 0.289 299 H C 2.125 177.487 175.328 0.057 0.000 1.051 299 H CA 0.945 57.046 56.048 0.088 0.000 1.280 299 H CB -0.329 29.459 29.762 0.043 0.000 1.380 299 H HN 0.317 nan 8.280 nan 0.000 0.566 300 S N -0.482 115.306 115.700 0.147 0.000 2.469 300 S HA -0.134 4.330 4.470 -0.009 0.000 0.238 300 S C 1.617 176.064 174.600 -0.254 0.000 0.998 300 S CA 0.626 58.699 58.200 -0.211 0.000 0.957 300 S CB 0.018 63.011 63.200 -0.346 0.000 0.764 300 S HN 0.545 nan 8.310 nan 0.000 0.514 301 W N 1.225 122.642 121.300 0.195 0.000 3.103 301 W HA 0.148 4.803 4.660 -0.010 0.000 0.258 301 W C 0.708 177.275 176.519 0.080 0.000 1.001 301 W CA 0.354 57.773 57.345 0.123 0.000 1.940 301 W CB -1.081 28.433 29.460 0.089 0.000 1.116 301 W HN 0.157 nan 8.180 nan 0.000 0.600 302 T N -0.474 114.300 114.554 0.366 0.000 2.875 302 T HA 0.573 4.917 4.350 -0.009 0.000 0.307 302 T C 0.648 175.519 174.700 0.284 0.000 1.013 302 T CA 0.584 62.833 62.100 0.249 0.000 0.970 302 T CB 0.817 69.838 68.868 0.257 0.000 0.986 302 T HN 0.404 nan 8.240 nan 0.000 0.536 303 G N 4.412 113.335 108.800 0.205 0.000 3.131 303 G HA2 -0.251 3.704 3.960 -0.009 0.000 0.198 303 G HA3 -0.251 3.704 3.960 -0.009 0.000 0.198 303 G C 0.969 175.954 174.900 0.141 0.000 1.435 303 G CA -0.058 45.178 45.100 0.228 0.000 1.016 303 G HN 0.538 nan 8.290 nan 0.000 0.499 304 N N 0.622 119.381 118.700 0.099 0.000 2.333 304 N HA 0.280 5.014 4.740 -0.009 0.000 0.178 304 N C 2.223 177.848 175.510 0.192 0.000 1.018 304 N CA 1.101 54.170 53.050 0.032 0.000 0.882 304 N CB -0.069 38.281 38.487 -0.228 0.000 0.984 304 N HN 0.489 nan 8.380 nan 0.000 0.434 305 L N -0.075 121.223 121.223 0.124 0.000 2.185 305 L HA 0.169 4.504 4.340 -0.009 0.000 0.198 305 L C 0.109 176.900 176.870 -0.133 0.000 1.079 305 L CA 0.441 55.233 54.840 -0.080 0.000 0.780 305 L CB 0.060 41.989 42.059 -0.217 0.000 0.955 305 L HN -0.146 nan 8.230 nan 0.000 0.462 306 V N 0.726 120.575 119.914 -0.107 0.000 2.385 306 V HA 0.232 4.347 4.120 -0.009 0.000 0.269 306 V C -0.238 175.810 176.094 -0.077 0.000 1.043 306 V CA -0.192 62.014 62.300 -0.157 0.000 0.906 306 V CB 0.935 32.567 31.823 -0.317 0.000 0.995 306 V HN 0.220 nan 8.190 nan 0.000 0.467 307 T N 4.794 119.301 114.554 -0.078 0.000 2.863 307 T HA 0.333 4.677 4.350 -0.009 0.000 0.285 307 T C 0.074 174.716 174.700 -0.095 0.000 1.009 307 T CA -0.728 61.356 62.100 -0.028 0.000 0.989 307 T CB 0.957 69.832 68.868 0.011 0.000 1.004 307 T HN 0.851 nan 8.240 nan 0.000 0.455 308 N N 2.334 120.977 118.700 -0.095 0.000 2.411 308 N HA 0.005 4.739 4.740 -0.009 0.000 0.261 308 N C 0.888 176.270 175.510 -0.214 0.000 1.248 308 N CA -0.329 52.632 53.050 -0.148 0.000 0.885 308 N CB 1.303 39.737 38.487 -0.088 0.000 1.062 308 N HN 0.577 nan 8.380 nan 0.000 0.471 309 K N 1.298 121.593 120.400 -0.175 0.000 2.057 309 K HA -0.118 4.196 4.320 -0.009 0.000 0.207 309 K C 0.751 177.244 176.600 -0.178 0.000 1.049 309 K CA 1.474 57.666 56.287 -0.157 0.000 0.931 309 K CB 0.079 32.497 32.500 -0.136 0.000 0.714 309 K HN 0.864 nan 8.250 nan 0.000 0.440 310 T N -5.083 109.403 114.554 -0.114 0.000 2.838 310 T HA 0.217 4.562 4.350 -0.009 0.000 0.292 310 T C 0.060 174.630 174.700 -0.216 0.000 1.113 310 T CA -0.909 61.072 62.100 -0.198 0.000 1.008 310 T CB 0.296 69.183 68.868 0.032 0.000 1.259 310 T HN 0.300 nan 8.240 nan 0.000 0.520 311 W N 0.192 121.519 121.300 0.045 0.000 2.595 311 W HA 0.114 4.767 4.660 -0.011 0.000 0.257 311 W C 1.407 177.942 176.519 0.028 0.000 1.267 311 W CA 0.011 57.352 57.345 -0.008 0.000 1.300 311 W CB -0.187 29.193 29.460 -0.134 0.000 1.120 311 W HN 0.701 nan 8.180 nan 0.000 0.618 312 D N -1.026 119.464 120.400 0.148 0.000 2.221 312 D HA -0.165 4.469 4.640 -0.009 0.000 0.204 312 D C 1.350 177.593 176.300 -0.095 0.000 0.982 312 D CA 1.341 55.326 54.000 -0.025 0.000 0.857 312 D CB -0.396 40.282 40.800 -0.204 0.000 0.934 312 D HN 0.349 nan 8.370 nan 0.000 0.475 313 H N -1.060 118.145 119.070 0.225 0.000 2.487 313 H HA 0.065 4.616 4.556 -0.008 0.000 0.290 313 H C 1.146 176.544 175.328 0.118 0.000 1.081 313 H CA -0.405 55.756 56.048 0.188 0.000 1.116 313 H CB -0.177 29.617 29.762 0.054 0.000 1.560 313 H HN 0.058 nan 8.280 nan 0.000 0.548 314 F N 2.492 122.539 119.950 0.161 0.000 2.184 314 F HA -0.283 4.238 4.527 -0.009 0.000 0.301 314 F C 2.385 178.231 175.800 0.077 0.000 1.076 314 F CA 1.330 59.422 58.000 0.154 0.000 1.295 314 F CB -0.324 38.822 39.000 0.243 0.000 1.026 314 F HN 0.397 nan 8.300 nan 0.000 0.494 315 W N 0.809 122.102 121.300 -0.013 0.000 2.331 315 W HA -0.246 4.408 4.660 -0.010 0.000 0.291 315 W C 1.627 178.069 176.519 -0.129 0.000 1.214 315 W CA 1.246 58.500 57.345 -0.153 0.000 1.228 315 W CB -1.522 27.894 29.460 -0.073 0.000 1.135 315 W HN 0.149 nan 8.180 nan 0.000 0.537 316 L N 1.440 122.028 121.223 -1.058 0.000 1.989 316 L HA -0.305 4.030 4.340 -0.009 0.000 0.211 316 L C 2.606 179.312 176.870 -0.272 0.000 1.071 316 L CA 2.173 56.468 54.840 -0.908 0.000 0.749 316 L CB -1.238 40.422 42.059 -0.665 0.000 0.890 316 L HN -0.006 nan 8.230 nan 0.000 0.431 317 N N -0.355 118.221 118.700 -0.207 0.000 2.025 317 N HA -0.189 4.545 4.740 -0.009 0.000 0.194 317 N C 1.826 177.286 175.510 -0.084 0.000 1.044 317 N CA 1.380 54.398 53.050 -0.054 0.000 0.851 317 N CB -0.147 38.334 38.487 -0.010 0.000 1.036 317 N HN 0.277 nan 8.380 nan 0.000 0.422 318 E N -0.376 119.599 120.200 -0.375 0.000 2.060 318 E HA 0.056 4.401 4.350 -0.009 0.000 0.189 318 E C 2.127 178.668 176.600 -0.099 0.000 0.974 318 E CA 0.833 56.988 56.400 -0.408 0.000 0.808 318 E CB -0.824 28.182 29.700 -1.157 0.000 0.768 318 E HN 0.397 nan 8.360 nan 0.000 0.453 319 G N 1.142 109.933 108.800 -0.015 0.000 2.491 319 G HA2 -0.299 3.656 3.960 -0.009 0.000 0.218 319 G HA3 -0.299 3.656 3.960 -0.009 0.000 0.218 319 G C 1.282 176.264 174.900 0.135 0.000 1.180 319 G CA 1.392 46.582 45.100 0.150 0.000 0.774 319 G HN 0.334 nan 8.290 nan 0.000 0.562 320 H N -0.194 118.939 119.070 0.105 0.000 2.423 320 H HA 0.030 4.580 4.556 -0.010 0.000 0.297 320 H C 2.927 178.383 175.328 0.213 0.000 1.075 320 H CA 1.650 57.814 56.048 0.193 0.000 1.342 320 H CB -0.164 29.674 29.762 0.127 0.000 1.395 320 H HN 0.301 nan 8.280 nan 0.000 0.530 321 T N -0.188 114.448 114.554 0.138 0.000 2.737 321 T HA -0.122 4.222 4.350 -0.009 0.000 0.265 321 T C 2.281 176.983 174.700 0.004 0.000 1.038 321 T CA 1.318 63.345 62.100 -0.121 0.000 1.144 321 T CB -0.385 68.044 68.868 -0.732 0.000 0.866 321 T HN 0.102 nan 8.240 nan 0.000 0.434 322 V N 0.480 120.508 119.914 0.189 0.000 2.407 322 V HA -0.160 3.954 4.120 -0.009 0.000 0.248 322 V C 2.010 178.277 176.094 0.288 0.000 1.055 322 V CA 1.462 63.924 62.300 0.269 0.000 1.049 322 V CB -0.770 31.217 31.823 0.273 0.000 0.662 322 V HN 0.469 nan 8.190 nan 0.000 0.455 323 Y N 0.461 121.004 120.300 0.404 0.000 2.097 323 Y HA -0.254 4.291 4.550 -0.009 0.000 0.282 323 Y C 2.277 178.385 175.900 0.347 0.000 1.152 323 Y CA 1.812 60.207 58.100 0.491 0.000 1.136 323 Y CB -0.256 38.443 38.460 0.399 0.000 0.975 323 Y HN 0.113 nan 8.280 nan 0.000 0.498 324 L N 0.078 121.503 121.223 0.336 0.000 2.046 324 L HA -0.218 4.116 4.340 -0.009 0.000 0.208 324 L C 2.605 179.543 176.870 0.113 0.000 1.077 324 L CA 1.842 56.809 54.840 0.211 0.000 0.747 324 L CB -0.666 41.498 42.059 0.175 0.000 0.896 324 L HN 0.368 nan 8.230 nan 0.000 0.432 325 E N 0.661 120.918 120.200 0.096 0.000 2.049 325 E HA -0.294 4.051 4.350 -0.009 0.000 0.198 325 E C 2.268 178.900 176.600 0.053 0.000 1.007 325 E CA 1.631 58.087 56.400 0.092 0.000 0.809 325 E CB -0.008 29.783 29.700 0.152 0.000 0.749 325 E HN 0.411 nan 8.360 nan 0.000 0.450 326 R N -0.847 119.630 120.500 -0.039 0.000 2.148 326 R HA -0.075 4.260 4.340 -0.009 0.000 0.227 326 R C 2.529 178.763 176.300 -0.110 0.000 1.103 326 R CA 1.007 57.027 56.100 -0.134 0.000 0.983 326 R CB -0.260 29.846 30.300 -0.324 0.000 0.874 326 R HN 0.360 nan 8.270 nan 0.000 0.451 327 H N 0.683 119.702 119.070 -0.085 0.000 2.357 327 H HA -0.034 4.517 4.556 -0.009 0.000 0.301 327 H C 2.141 177.463 175.328 -0.010 0.000 1.082 327 H CA 1.322 57.333 56.048 -0.062 0.000 1.342 327 H CB -0.023 29.674 29.762 -0.109 0.000 1.389 327 H HN 0.149 nan 8.280 nan 0.000 0.511 328 I N -0.243 120.400 120.570 0.122 0.000 2.179 328 I HA -0.312 3.853 4.170 -0.009 0.000 0.242 328 I C 2.660 178.816 176.117 0.065 0.000 1.088 328 I CA 1.057 62.394 61.300 0.062 0.000 1.357 328 I CB -0.263 37.767 38.000 0.050 0.000 1.051 328 I HN 0.212 nan 8.210 nan 0.000 0.409 329 C N 0.763 120.148 119.300 0.141 0.000 2.440 329 C HA -0.059 4.395 4.460 -0.009 0.000 0.278 329 C C 2.949 178.124 174.990 0.310 0.000 1.295 329 C CA 0.904 60.091 59.018 0.282 0.000 1.738 329 C CB -1.719 26.275 27.740 0.423 0.000 1.987 329 C HN 0.681 nan 8.230 nan 0.000 0.492 330 G N 0.360 109.296 108.800 0.227 0.000 2.422 330 G HA2 -0.246 3.708 3.960 -0.009 0.000 0.218 330 G HA3 -0.246 3.708 3.960 -0.009 0.000 0.218 330 G C 1.671 176.655 174.900 0.141 0.000 1.146 330 G CA 1.004 46.240 45.100 0.227 0.000 0.769 330 G HN 0.500 nan 8.290 nan 0.000 0.547 331 R N 0.275 120.822 120.500 0.079 0.000 2.073 331 R HA 0.127 4.461 4.340 -0.009 0.000 0.234 331 R C 2.510 178.748 176.300 -0.105 0.000 1.134 331 R CA 1.082 57.186 56.100 0.007 0.000 0.952 331 R CB -0.711 29.585 30.300 -0.006 0.000 0.850 331 R HN 0.385 nan 8.270 nan 0.000 0.433 332 L N -1.021 120.048 121.223 -0.257 0.000 2.056 332 L HA -0.069 4.266 4.340 -0.009 0.000 0.207 332 L C 1.229 177.658 176.870 -0.734 0.000 1.078 332 L CA 1.220 55.662 54.840 -0.663 0.000 0.749 332 L CB -0.134 41.211 42.059 -1.191 0.000 0.901 332 L HN 0.203 nan 8.230 nan 0.000 0.433 333 F N -1.317 118.641 119.950 0.014 0.000 2.767 333 F HA 0.472 4.993 4.527 -0.010 0.000 0.323 333 F C 0.915 176.716 175.800 0.002 0.000 1.091 333 F CA 0.042 57.991 58.000 -0.085 0.000 1.192 333 F CB 0.467 39.245 39.000 -0.371 0.000 1.056 333 F HN -0.011 nan 8.300 nan 0.000 0.571 334 G N 0.729 109.660 108.800 0.218 0.000 2.428 334 G HA2 -0.062 3.893 3.960 -0.009 0.000 0.681 334 G HA3 -0.062 3.893 3.960 -0.009 0.000 0.681 334 G C -0.020 175.026 174.900 0.244 0.000 1.340 334 G CA -0.360 44.854 45.100 0.189 0.000 0.915 334 G HN -0.015 nan 8.290 nan 0.000 0.645 335 E N 0.295 120.611 120.200 0.192 0.000 2.110 335 E HA -0.035 4.309 4.350 -0.009 0.000 0.193 335 E C 2.290 179.036 176.600 0.244 0.000 0.988 335 E CA 2.132 58.663 56.400 0.218 0.000 0.804 335 E CB -0.116 29.682 29.700 0.163 0.000 0.745 335 E HN 0.581 nan 8.360 nan 0.000 0.458 336 K N -0.790 119.720 120.400 0.184 0.000 2.103 336 K HA -0.156 4.158 4.320 -0.009 0.000 0.207 336 K C 1.988 178.774 176.600 0.310 0.000 1.048 336 K CA 1.358 57.761 56.287 0.194 0.000 0.930 336 K CB -0.333 32.250 32.500 0.138 0.000 0.716 336 K HN 0.168 nan 8.250 nan 0.000 0.444 337 F N 1.836 121.876 119.950 0.149 0.000 2.163 337 F HA -0.090 4.431 4.527 -0.009 0.000 0.297 337 F C 2.464 178.389 175.800 0.208 0.000 1.094 337 F CA 1.180 59.267 58.000 0.143 0.000 1.290 337 F CB -0.149 38.899 39.000 0.081 0.000 1.017 337 F HN -0.150 nan 8.300 nan 0.000 0.483 338 R N -0.890 119.721 120.500 0.184 0.000 2.096 338 R HA -0.253 4.081 4.340 -0.009 0.000 0.240 338 R C 2.166 178.466 176.300 -0.001 0.000 1.139 338 R CA 2.304 58.418 56.100 0.024 0.000 0.952 338 R CB -0.641 29.705 30.300 0.076 0.000 0.854 338 R HN 0.339 nan 8.270 nan 0.000 0.436 339 H N -0.971 118.145 119.070 0.077 0.000 2.321 339 H HA -0.143 4.408 4.556 -0.009 0.000 0.300 339 H C 1.574 176.990 175.328 0.147 0.000 1.087 339 H CA 2.066 58.219 56.048 0.175 0.000 1.319 339 H CB -0.440 29.479 29.762 0.262 0.000 1.379 339 H HN 0.266 nan 8.280 nan 0.000 0.501 340 F N 1.350 121.344 119.950 0.074 0.000 2.091 340 F HA -0.268 4.254 4.527 -0.008 0.000 0.299 340 F C 1.851 177.543 175.800 -0.181 0.000 1.103 340 F CA 1.975 59.948 58.000 -0.045 0.000 1.228 340 F CB -0.430 38.530 39.000 -0.066 0.000 0.984 340 F HN 0.128 nan 8.300 nan 0.000 0.477 341 N N 0.092 118.612 118.700 -0.301 0.000 2.142 341 N HA -0.111 4.623 4.740 -0.009 0.000 0.186 341 N C 2.036 177.300 175.510 -0.410 0.000 1.023 341 N CA 0.978 53.765 53.050 -0.438 0.000 0.852 341 N CB -0.403 37.808 38.487 -0.461 0.000 0.998 341 N HN 0.397 nan 8.380 nan 0.000 0.424 342 A N 1.051 123.663 122.820 -0.346 0.000 1.908 342 A HA -0.143 4.171 4.320 -0.009 0.000 0.218 342 A C 2.111 179.645 177.584 -0.083 0.000 1.181 342 A CA 1.180 53.070 52.037 -0.244 0.000 0.627 342 A CB -0.675 18.209 19.000 -0.193 0.000 0.818 342 A HN 0.280 nan 8.150 nan 0.000 0.445 343 L N -0.076 120.999 121.223 -0.246 0.000 2.109 343 L HA 0.099 4.434 4.340 -0.009 0.000 0.207 343 L C 2.364 179.025 176.870 -0.348 0.000 1.086 343 L CA 2.121 56.618 54.840 -0.572 0.000 0.760 343 L CB -1.136 40.602 42.059 -0.535 0.000 0.910 343 L HN 0.284 nan 8.230 nan 0.000 0.437 344 G N -0.603 107.952 108.800 -0.408 0.000 2.476 344 G HA2 -0.288 3.667 3.960 -0.009 0.000 0.218 344 G HA3 -0.288 3.667 3.960 -0.009 0.000 0.218 344 G C 1.542 176.326 174.900 -0.193 0.000 1.164 344 G CA 0.694 45.587 45.100 -0.344 0.000 0.768 344 G HN 0.592 nan 8.290 nan 0.000 0.560 345 G N -0.108 108.581 108.800 -0.184 0.000 2.440 345 G HA2 -0.289 3.666 3.960 -0.009 0.000 0.218 345 G HA3 -0.289 3.666 3.960 -0.009 0.000 0.218 345 G C 1.621 176.538 174.900 0.028 0.000 1.154 345 G CA 0.977 46.017 45.100 -0.100 0.000 0.767 345 G HN 0.449 nan 8.290 nan 0.000 0.552 346 W N 2.024 123.262 121.300 -0.102 0.000 2.358 346 W HA -0.083 4.573 4.660 -0.007 0.000 0.303 346 W C 2.290 178.756 176.519 -0.087 0.000 1.208 346 W CA 1.609 58.920 57.345 -0.057 0.000 1.274 346 W CB -0.539 28.841 29.460 -0.132 0.000 1.138 346 W HN 0.226 nan 8.180 nan 0.000 0.515 347 G N 0.591 109.422 108.800 0.053 0.000 2.440 347 G HA2 -0.296 3.658 3.960 -0.009 0.000 0.218 347 G HA3 -0.296 3.658 3.960 -0.009 0.000 0.218 347 G C 1.366 176.209 174.900 -0.096 0.000 1.154 347 G CA 0.989 46.073 45.100 -0.026 0.000 0.767 347 G HN 0.196 nan 8.290 nan 0.000 0.552 348 E N 0.014 120.156 120.200 -0.096 0.000 2.106 348 E HA -0.069 4.276 4.350 -0.009 0.000 0.192 348 E C 2.476 179.000 176.600 -0.127 0.000 0.984 348 E CA 0.468 56.809 56.400 -0.097 0.000 0.806 348 E CB -0.387 29.260 29.700 -0.087 0.000 0.750 348 E HN 0.399 nan 8.360 nan 0.000 0.458 349 L N 1.511 122.629 121.223 -0.175 0.000 2.046 349 L HA -0.188 4.147 4.340 -0.009 0.000 0.208 349 L C 2.151 178.846 176.870 -0.292 0.000 1.077 349 L CA 1.724 56.419 54.840 -0.242 0.000 0.747 349 L CB -0.462 41.378 42.059 -0.366 0.000 0.896 349 L HN 0.048 nan 8.230 nan 0.000 0.432 350 Q N -0.610 118.983 119.800 -0.346 0.000 2.061 350 Q HA -0.226 4.108 4.340 -0.009 0.000 0.204 350 Q C 1.990 177.900 176.000 -0.150 0.000 0.984 350 Q CA 1.819 57.471 55.803 -0.251 0.000 0.846 350 Q CB -0.285 28.352 28.738 -0.168 0.000 0.902 350 Q HN 0.566 nan 8.270 nan 0.000 0.421 351 N N 0.189 118.811 118.700 -0.129 0.000 2.043 351 N HA -0.132 4.603 4.740 -0.009 0.000 0.193 351 N C 1.888 177.326 175.510 -0.119 0.000 1.037 351 N CA 1.600 54.586 53.050 -0.107 0.000 0.851 351 N CB -0.548 37.884 38.487 -0.093 0.000 1.027 351 N HN 0.061 nan 8.380 nan 0.000 0.422 352 S N 0.277 115.905 115.700 -0.120 0.000 2.359 352 S HA -0.072 4.392 4.470 -0.009 0.000 0.224 352 S C 2.248 176.823 174.600 -0.043 0.000 1.035 352 S CA 0.920 59.047 58.200 -0.122 0.000 1.018 352 S CB -0.400 62.776 63.200 -0.040 0.000 0.876 352 S HN 0.098 nan 8.310 nan 0.000 0.448 353 V N 1.844 121.747 119.914 -0.019 0.000 2.295 353 V HA -0.194 3.920 4.120 -0.009 0.000 0.246 353 V C 2.408 178.509 176.094 0.012 0.000 1.049 353 V CA 1.874 64.189 62.300 0.024 0.000 1.024 353 V CB -0.540 31.245 31.823 -0.064 0.000 0.648 353 V HN 0.422 nan 8.190 nan 0.000 0.447 354 K N -0.363 120.011 120.400 -0.044 0.000 2.032 354 K HA -0.210 4.105 4.320 -0.009 0.000 0.209 354 K C 2.210 178.780 176.600 -0.049 0.000 1.048 354 K CA 2.122 58.383 56.287 -0.043 0.000 0.927 354 K CB -0.353 32.111 32.500 -0.060 0.000 0.712 354 K HN 0.495 nan 8.250 nan 0.000 0.441 355 T N 0.436 114.927 114.554 -0.105 0.000 2.674 355 T HA -0.124 4.221 4.350 -0.009 0.000 0.265 355 T C 1.504 176.114 174.700 -0.150 0.000 1.039 355 T CA 1.526 63.522 62.100 -0.174 0.000 1.150 355 T CB -0.307 68.378 68.868 -0.305 0.000 0.864 355 T HN 0.126 nan 8.240 nan 0.000 0.427 356 F N 1.298 121.183 119.950 -0.108 0.000 2.206 356 F HA 0.299 4.822 4.527 -0.007 0.000 0.298 356 F C 1.787 177.543 175.800 -0.073 0.000 1.090 356 F CA 0.732 58.614 58.000 -0.196 0.000 1.323 356 F CB -0.665 38.162 39.000 -0.289 0.000 1.028 356 F HN 0.386 nan 8.300 nan 0.000 0.492 357 G N 0.193 109.090 108.800 0.160 0.000 2.906 357 G HA2 -0.132 3.823 3.960 -0.009 0.000 0.686 357 G HA3 -0.132 3.823 3.960 -0.009 0.000 0.686 357 G C 0.473 175.437 174.900 0.106 0.000 1.170 357 G CA -0.187 44.981 45.100 0.114 0.000 0.775 357 G HN 0.397 nan 8.290 nan 0.000 0.630 358 E N -0.243 119.985 120.200 0.047 0.000 2.409 358 E HA -0.072 4.272 4.350 -0.009 0.000 0.198 358 E C 1.732 178.339 176.600 0.012 0.000 1.024 358 E CA 1.593 58.004 56.400 0.018 0.000 0.861 358 E CB -0.064 29.630 29.700 -0.009 0.000 0.788 358 E HN 0.915 nan 8.360 nan 0.000 0.521 359 T N -2.761 111.806 114.554 0.021 0.000 3.054 359 T HA 0.050 4.394 4.350 -0.009 0.000 0.255 359 T C 0.218 174.904 174.700 -0.023 0.000 1.035 359 T CA -0.449 61.645 62.100 -0.009 0.000 0.941 359 T CB -0.420 68.432 68.868 -0.026 0.000 1.026 359 T HN 0.267 nan 8.240 nan 0.000 0.533 360 H N 2.546 121.562 119.070 -0.090 0.000 2.848 360 H HA 0.218 4.774 4.556 -0.001 0.000 0.341 360 H C -1.601 173.590 175.328 -0.229 0.000 1.060 360 H CA -1.379 54.558 56.048 -0.185 0.000 1.444 360 H CB 1.213 30.858 29.762 -0.195 0.000 1.446 360 H HN -0.073 nan 8.280 nan 0.000 0.583 361 P HA -0.193 nan 4.420 nan 0.000 0.218 361 P C 0.639 177.988 177.300 0.081 0.000 1.148 361 P CA 1.101 64.107 63.100 -0.157 0.000 0.822 361 P CB 0.124 31.660 31.700 -0.273 0.000 0.784 362 F N -0.429 119.521 119.950 -0.000 0.000 2.771 362 F HA -0.003 4.522 4.527 -0.003 0.000 0.299 362 F C 1.888 177.515 175.800 -0.288 0.000 1.177 362 F CA 0.959 58.786 58.000 -0.289 0.000 1.450 362 F CB -2.040 36.459 39.000 -0.835 0.000 1.114 362 F HN 0.061 nan 8.300 nan 0.000 0.587 363 T N -3.224 111.324 114.554 -0.010 0.000 3.086 363 T HA 0.108 4.452 4.350 -0.009 0.000 0.250 363 T C 0.687 175.391 174.700 0.007 0.000 1.074 363 T CA -0.294 61.816 62.100 0.015 0.000 0.988 363 T CB -0.191 68.696 68.868 0.032 0.000 0.988 363 T HN -0.002 nan 8.240 nan 0.000 0.530 364 K N 0.691 121.107 120.400 0.027 0.000 2.295 364 K HA 0.301 4.616 4.320 -0.009 0.000 0.270 364 K C 0.817 177.417 176.600 0.000 0.000 1.011 364 K CA -0.519 55.778 56.287 0.017 0.000 0.953 364 K CB 1.076 33.616 32.500 0.066 0.000 0.956 364 K HN -0.043 nan 8.250 nan 0.000 0.477 365 L N 2.950 124.122 121.223 -0.085 0.000 2.005 365 L HA -0.067 4.268 4.340 -0.009 0.000 0.207 365 L C 0.274 177.092 176.870 -0.087 0.000 1.072 365 L CA 1.546 56.274 54.840 -0.186 0.000 0.744 365 L CB 0.329 42.097 42.059 -0.484 0.000 0.895 365 L HN 0.338 nan 8.230 nan 0.000 0.433 366 V N 1.575 121.449 119.914 -0.067 0.000 2.432 366 V HA 0.349 4.463 4.120 -0.009 0.000 0.275 366 V C 0.080 176.252 176.094 0.130 0.000 1.043 366 V CA -0.412 61.951 62.300 0.105 0.000 0.925 366 V CB 0.875 32.806 31.823 0.181 0.000 0.985 366 V HN 0.139 nan 8.190 nan 0.000 0.466 367 V N 1.176 121.158 119.914 0.113 0.000 3.096 367 V HA 0.734 4.848 4.120 -0.009 0.000 0.319 367 V C -0.607 175.543 176.094 0.093 0.000 1.103 367 V CA -0.812 61.560 62.300 0.120 0.000 1.016 367 V CB 2.165 34.065 31.823 0.129 0.000 1.090 367 V HN 0.733 nan 8.190 nan 0.000 0.449 368 D N 1.227 121.694 120.400 0.111 0.000 2.460 368 D HA 0.392 5.026 4.640 -0.009 0.000 0.232 368 D C 0.271 176.639 176.300 0.113 0.000 1.079 368 D CA -0.263 53.793 54.000 0.094 0.000 0.864 368 D CB 1.177 42.026 40.800 0.081 0.000 1.048 368 D HN 0.612 nan 8.370 nan 0.000 0.523 369 L N 2.619 123.903 121.223 0.101 0.000 2.627 369 L HA 0.124 4.458 4.340 -0.009 0.000 0.232 369 L C 0.647 177.591 176.870 0.123 0.000 1.150 369 L CA 0.055 54.956 54.840 0.102 0.000 0.917 369 L CB -0.188 41.919 42.059 0.079 0.000 1.104 369 L HN 0.287 nan 8.230 nan 0.000 0.445 370 T N 1.137 115.759 114.554 0.114 0.000 2.822 370 T HA -0.068 4.276 4.350 -0.009 0.000 0.288 370 T C 0.493 175.274 174.700 0.135 0.000 0.991 370 T CA 0.215 62.383 62.100 0.112 0.000 1.176 370 T CB 0.065 68.982 68.868 0.082 0.000 0.951 370 T HN 0.332 nan 8.240 nan 0.000 0.526 371 D N 0.464 120.971 120.400 0.178 0.000 3.059 371 D HA -0.147 4.488 4.640 -0.009 0.000 0.220 371 D C -0.232 176.220 176.300 0.254 0.000 1.169 371 D CA 0.726 54.863 54.000 0.229 0.000 0.902 371 D CB -0.716 40.168 40.800 0.140 0.000 1.116 371 D HN 0.392 nan 8.370 nan 0.000 0.417 372 I N 1.096 121.782 120.570 0.193 0.000 2.406 372 I HA 0.162 4.327 4.170 -0.009 0.000 0.290 372 I C 0.595 176.530 176.117 -0.303 0.000 0.999 372 I CA -0.858 60.459 61.300 0.027 0.000 1.124 372 I CB 1.660 39.726 38.000 0.110 0.000 1.289 372 I HN -0.212 nan 8.210 nan 0.000 0.441 373 D N 9.042 128.971 120.400 -0.786 0.000 2.382 373 D HA 0.104 4.738 4.640 -0.009 0.000 0.259 373 D C -1.674 174.328 176.300 -0.497 0.000 1.224 373 D CA -1.602 51.738 54.000 -1.100 0.000 0.894 373 D CB 1.605 41.827 40.800 -0.964 0.000 1.127 373 D HN 0.199 nan 8.370 nan 0.000 0.487 374 P HA -0.125 nan 4.420 nan 0.000 0.217 374 P C 0.656 177.766 177.300 -0.317 0.000 1.148 374 P CA 0.842 63.712 63.100 -0.384 0.000 0.828 374 P CB 0.325 31.718 31.700 -0.512 0.000 0.783 375 D N -1.226 119.017 120.400 -0.261 0.000 2.178 375 D HA -0.085 4.550 4.640 -0.009 0.000 0.202 375 D C 1.914 178.177 176.300 -0.061 0.000 0.974 375 D CA 0.876 54.798 54.000 -0.130 0.000 0.841 375 D CB -0.523 40.241 40.800 -0.059 0.000 0.953 375 D HN 0.032 nan 8.370 nan 0.000 0.478 376 V N 0.872 120.719 119.914 -0.111 0.000 2.591 376 V HA -0.087 4.027 4.120 -0.009 0.000 0.249 376 V C 2.350 178.419 176.094 -0.042 0.000 1.053 376 V CA 1.511 63.797 62.300 -0.022 0.000 1.068 376 V CB -0.375 31.446 31.823 -0.004 0.000 0.689 376 V HN 0.164 nan 8.190 nan 0.000 0.462 377 A N -1.328 121.285 122.820 -0.345 0.000 2.016 377 A HA -0.038 4.276 4.320 -0.009 0.000 0.217 377 A C 1.173 178.540 177.584 -0.361 0.000 1.162 377 A CA 0.100 51.583 52.037 -0.924 0.000 0.662 377 A CB -0.477 17.839 19.000 -1.140 0.000 0.812 377 A HN 0.529 nan 8.150 nan 0.000 0.450 378 Y N 2.217 122.386 120.300 -0.219 0.000 2.895 378 Y HA 0.230 4.774 4.550 -0.010 0.000 0.334 378 Y C 0.713 176.687 175.900 0.124 0.000 1.261 378 Y CA 0.597 58.675 58.100 -0.037 0.000 1.560 378 Y CB 0.263 38.703 38.460 -0.033 0.000 1.253 378 Y HN 0.407 nan 8.280 nan 0.000 0.582 379 S N 1.414 116.867 115.700 -0.412 0.000 2.703 379 S HA 0.296 4.761 4.470 -0.009 0.000 0.273 379 S C 0.181 174.644 174.600 -0.228 0.000 1.178 379 S CA -0.350 57.713 58.200 -0.228 0.000 0.838 379 S CB 0.943 64.271 63.200 0.212 0.000 1.178 379 S HN 0.464 nan 8.310 nan 0.000 0.494 380 S N 0.273 115.908 115.700 -0.109 0.000 2.507 380 S HA -0.007 4.457 4.470 -0.009 0.000 0.235 380 S C 1.785 176.483 174.600 0.162 0.000 0.988 380 S CA 0.888 59.073 58.200 -0.025 0.000 0.944 380 S CB -0.583 62.566 63.200 -0.086 0.000 0.762 380 S HN 0.538 nan 8.310 nan 0.000 0.526 381 V N 3.252 123.258 119.914 0.154 0.000 2.233 381 V HA -0.145 3.970 4.120 -0.009 0.000 0.247 381 V C -0.366 175.827 176.094 0.165 0.000 1.050 381 V CA 1.856 64.242 62.300 0.143 0.000 1.010 381 V CB -1.662 30.247 31.823 0.143 0.000 0.637 381 V HN 0.365 nan 8.190 nan 0.000 0.444 382 P HA -0.167 nan 4.420 nan 0.000 0.218 382 P C 1.257 178.611 177.300 0.090 0.000 1.149 382 P CA 1.697 64.885 63.100 0.146 0.000 0.817 382 P CB -0.118 31.649 31.700 0.110 0.000 0.785 383 Y N 0.861 121.202 120.300 0.069 0.000 2.089 383 Y HA -0.137 4.407 4.550 -0.010 0.000 0.282 383 Y C 2.722 178.716 175.900 0.157 0.000 1.139 383 Y CA 1.485 59.641 58.100 0.093 0.000 1.123 383 Y CB -0.939 37.545 38.460 0.041 0.000 0.980 383 Y HN -0.063 nan 8.280 nan 0.000 0.493 384 E N -0.194 120.184 120.200 0.297 0.000 2.166 384 E HA -0.064 4.281 4.350 -0.009 0.000 0.192 384 E C 2.003 178.764 176.600 0.268 0.000 0.967 384 E CA 0.425 56.977 56.400 0.254 0.000 0.840 384 E CB -0.142 29.626 29.700 0.114 0.000 0.795 384 E HN 0.370 nan 8.360 nan 0.000 0.470 385 K N 0.679 121.180 120.400 0.169 0.000 2.057 385 K HA -0.073 4.242 4.320 -0.009 0.000 0.206 385 K C 2.107 178.827 176.600 0.199 0.000 1.050 385 K CA 1.259 57.637 56.287 0.153 0.000 0.935 385 K CB -0.258 32.265 32.500 0.038 0.000 0.715 385 K HN 0.121 nan 8.250 nan 0.000 0.439 386 G N 0.667 109.581 108.800 0.191 0.000 2.446 386 G HA2 -0.300 3.655 3.960 -0.009 0.000 0.217 386 G HA3 -0.300 3.655 3.960 -0.009 0.000 0.217 386 G C 1.332 176.386 174.900 0.257 0.000 1.168 386 G CA 0.829 46.080 45.100 0.253 0.000 0.771 386 G HN 0.410 nan 8.290 nan 0.000 0.551 387 F N 2.431 122.498 119.950 0.195 0.000 2.134 387 F HA 0.102 4.623 4.527 -0.010 0.000 0.299 387 F C 2.754 178.710 175.800 0.260 0.000 1.097 387 F CA 1.342 59.471 58.000 0.215 0.000 1.264 387 F CB -0.245 38.878 39.000 0.204 0.000 1.001 387 F HN 0.228 nan 8.300 nan 0.000 0.479 388 A N 0.599 123.631 122.820 0.354 0.000 1.902 388 A HA -0.181 4.133 4.320 -0.009 0.000 0.217 388 A C 2.119 179.805 177.584 0.171 0.000 1.181 388 A CA 1.736 54.033 52.037 0.435 0.000 0.623 388 A CB -1.321 18.131 19.000 0.754 0.000 0.818 388 A HN 0.516 nan 8.150 nan 0.000 0.443 389 L N -0.052 121.158 121.223 -0.021 0.000 2.012 389 L HA -0.160 4.175 4.340 -0.009 0.000 0.210 389 L C 2.302 178.908 176.870 -0.440 0.000 1.073 389 L CA 1.866 56.325 54.840 -0.635 0.000 0.748 389 L CB -0.578 41.163 42.059 -0.530 0.000 0.891 389 L HN 0.425 nan 8.230 nan 0.000 0.431 390 L N -2.030 119.002 121.223 -0.319 0.000 2.046 390 L HA -0.211 4.123 4.340 -0.009 0.000 0.208 390 L C 2.462 178.927 176.870 -0.675 0.000 1.077 390 L CA 1.203 55.751 54.840 -0.487 0.000 0.747 390 L CB -0.767 41.019 42.059 -0.456 0.000 0.896 390 L HN 0.263 nan 8.230 nan 0.000 0.432 391 F N 0.074 119.601 119.950 -0.705 0.000 2.134 391 F HA -0.272 4.249 4.527 -0.010 0.000 0.299 391 F C 2.616 178.152 175.800 -0.439 0.000 1.097 391 F CA 1.231 58.887 58.000 -0.574 0.000 1.264 391 F CB -0.669 37.905 39.000 -0.710 0.000 1.001 391 F HN 0.050 nan 8.300 nan 0.000 0.479 392 Y N 0.577 120.585 120.300 -0.486 0.000 2.128 392 Y HA -0.236 4.309 4.550 -0.009 0.000 0.284 392 Y C 2.100 177.653 175.900 -0.578 0.000 1.154 392 Y CA 1.998 59.792 58.100 -0.510 0.000 1.149 392 Y CB -0.885 37.337 38.460 -0.398 0.000 0.976 392 Y HN 0.103 nan 8.280 nan 0.000 0.505 393 L N 0.405 121.084 121.223 -0.905 0.000 2.046 393 L HA -0.232 4.103 4.340 -0.009 0.000 0.208 393 L C 2.650 178.955 176.870 -0.941 0.000 1.077 393 L CA 1.956 56.217 54.840 -0.966 0.000 0.747 393 L CB -0.808 40.829 42.059 -0.704 0.000 0.896 393 L HN 0.347 nan 8.230 nan 0.000 0.432 394 E N 0.313 119.830 120.200 -1.138 0.000 2.065 394 E HA -0.330 4.014 4.350 -0.009 0.000 0.201 394 E C 2.140 178.487 176.600 -0.422 0.000 1.016 394 E CA 1.964 57.938 56.400 -0.711 0.000 0.818 394 E CB -0.075 29.393 29.700 -0.388 0.000 0.749 394 E HN 0.558 nan 8.360 nan 0.000 0.453 395 Q N -0.237 119.252 119.800 -0.518 0.000 2.167 395 Q HA -0.128 4.207 4.340 -0.009 0.000 0.202 395 Q C 2.261 178.035 176.000 -0.377 0.000 0.970 395 Q CA 0.853 56.406 55.803 -0.418 0.000 0.855 395 Q CB -0.012 28.430 28.738 -0.494 0.000 0.911 395 Q HN 0.278 nan 8.270 nan 0.000 0.438 396 L N -0.031 120.881 121.223 -0.518 0.000 2.109 396 L HA -0.074 4.260 4.340 -0.009 0.000 0.207 396 L C 1.513 178.153 176.870 -0.383 0.000 1.086 396 L CA 1.559 56.106 54.840 -0.489 0.000 0.760 396 L CB 0.110 41.730 42.059 -0.731 0.000 0.910 396 L HN 0.158 nan 8.230 nan 0.000 0.437 397 L N -1.314 119.665 121.223 -0.406 0.000 2.667 397 L HA 0.368 4.702 4.340 -0.009 0.000 0.232 397 L C 1.131 177.901 176.870 -0.168 0.000 1.138 397 L CA 0.533 55.143 54.840 -0.382 0.000 0.921 397 L CB 0.014 41.658 42.059 -0.691 0.000 1.180 397 L HN 0.429 nan 8.230 nan 0.000 0.487 398 G N -0.921 107.808 108.800 -0.118 0.000 2.183 398 G HA2 0.081 4.035 3.960 -0.009 0.000 0.168 398 G HA3 0.081 4.035 3.960 -0.009 0.000 0.168 398 G C 0.446 175.362 174.900 0.028 0.000 1.008 398 G CA -0.327 44.757 45.100 -0.027 0.000 0.677 398 G HN 0.741 nan 8.290 nan 0.000 0.498 399 G N -0.798 108.018 108.800 0.026 0.000 2.462 399 G HA2 0.374 4.329 3.960 -0.009 0.000 0.685 399 G HA3 0.374 4.329 3.960 -0.009 0.000 0.685 399 G C -1.139 173.890 174.900 0.215 0.000 1.295 399 G CA 0.253 45.405 45.100 0.087 0.000 0.941 399 G HN 0.566 nan 8.290 nan 0.000 0.554 400 P HA -0.019 nan 4.420 nan 0.000 0.217 400 P C 1.309 178.795 177.300 0.310 0.000 1.150 400 P CA 1.663 65.006 63.100 0.404 0.000 0.832 400 P CB 0.166 32.136 31.700 0.450 0.000 0.787 401 E N -0.048 120.281 120.200 0.215 0.000 2.077 401 E HA -0.106 4.239 4.350 -0.009 0.000 0.193 401 E C 2.186 178.908 176.600 0.202 0.000 0.989 401 E CA 0.915 57.410 56.400 0.160 0.000 0.800 401 E CB -1.056 28.715 29.700 0.119 0.000 0.746 401 E HN 0.249 nan 8.360 nan 0.000 0.452 402 I N -0.447 120.273 120.570 0.250 0.000 2.202 402 I HA -0.234 3.931 4.170 -0.009 0.000 0.242 402 I C 1.944 178.338 176.117 0.462 0.000 1.091 402 I CA 0.870 62.367 61.300 0.329 0.000 1.368 402 I CB -0.130 38.063 38.000 0.322 0.000 1.058 402 I HN 0.079 nan 8.210 nan 0.000 0.410 403 F N 0.875 121.026 119.950 0.334 0.000 2.293 403 F HA -0.115 4.406 4.527 -0.010 0.000 0.300 403 F C 2.132 178.167 175.800 0.392 0.000 1.086 403 F CA 1.290 59.536 58.000 0.409 0.000 1.375 403 F CB -0.078 39.100 39.000 0.296 0.000 1.045 403 F HN -0.086 nan 8.300 nan 0.000 0.516 404 L N -0.804 120.645 121.223 0.377 0.000 2.201 404 L HA -0.109 4.225 4.340 -0.009 0.000 0.212 404 L C 2.667 179.568 176.870 0.051 0.000 1.105 404 L CA 1.043 55.993 54.840 0.183 0.000 0.775 404 L CB -1.224 40.859 42.059 0.041 0.000 0.913 404 L HN 0.261 nan 8.230 nan 0.000 0.440 405 G N -0.136 108.716 108.800 0.087 0.000 2.418 405 G HA2 -0.335 3.619 3.960 -0.009 0.000 0.217 405 G HA3 -0.335 3.619 3.960 -0.009 0.000 0.217 405 G C 1.449 176.230 174.900 -0.199 0.000 1.158 405 G CA 0.584 45.715 45.100 0.052 0.000 0.771 405 G HN 0.347 nan 8.290 nan 0.000 0.545 406 F N 1.078 120.677 119.950 -0.585 0.000 2.102 406 F HA 0.005 4.526 4.527 -0.010 0.000 0.298 406 F C 2.212 177.690 175.800 -0.537 0.000 1.105 406 F CA 1.247 58.535 58.000 -1.187 0.000 1.239 406 F CB -0.425 37.921 39.000 -1.090 0.000 0.991 406 F HN 0.100 nan 8.300 nan 0.000 0.474 407 L N 1.185 122.053 121.223 -0.592 0.000 2.042 407 L HA -0.191 4.143 4.340 -0.009 0.000 0.210 407 L C 2.494 179.238 176.870 -0.210 0.000 1.076 407 L CA 2.108 56.730 54.840 -0.363 0.000 0.749 407 L CB -1.080 41.003 42.059 0.041 0.000 0.893 407 L HN 0.276 nan 8.230 nan 0.000 0.432 408 K N -0.959 119.331 120.400 -0.184 0.000 2.057 408 K HA -0.128 4.187 4.320 -0.009 0.000 0.206 408 K C 1.972 178.484 176.600 -0.147 0.000 1.050 408 K CA 1.206 57.413 56.287 -0.134 0.000 0.935 408 K CB -0.184 32.259 32.500 -0.095 0.000 0.715 408 K HN 0.421 nan 8.250 nan 0.000 0.439 409 A N 0.366 123.078 122.820 -0.180 0.000 1.930 409 A HA -0.184 4.131 4.320 -0.009 0.000 0.217 409 A C 2.020 179.489 177.584 -0.192 0.000 1.175 409 A CA 1.298 53.285 52.037 -0.082 0.000 0.627 409 A CB -0.818 18.230 19.000 0.079 0.000 0.815 409 A HN 0.595 nan 8.150 nan 0.000 0.443 410 Y N 0.690 120.733 120.300 -0.429 0.000 2.145 410 Y HA -0.191 4.353 4.550 -0.010 0.000 0.286 410 Y C 2.248 177.937 175.900 -0.352 0.000 1.145 410 Y CA 1.993 59.781 58.100 -0.520 0.000 1.148 410 Y CB -0.490 37.560 38.460 -0.684 0.000 0.981 410 Y HN 0.054 nan 8.280 nan 0.000 0.507 411 V N 0.957 120.661 119.914 -0.350 0.000 2.261 411 V HA -0.276 3.839 4.120 -0.009 0.000 0.246 411 V C 2.535 178.446 176.094 -0.304 0.000 1.047 411 V CA 2.271 64.388 62.300 -0.305 0.000 1.015 411 V CB -0.752 31.045 31.823 -0.043 0.000 0.642 411 V HN 0.431 nan 8.190 nan 0.000 0.446 412 E N 0.857 120.907 120.200 -0.251 0.000 2.049 412 E HA -0.309 4.035 4.350 -0.009 0.000 0.198 412 E C 2.245 178.635 176.600 -0.351 0.000 1.007 412 E CA 2.250 58.513 56.400 -0.229 0.000 0.809 412 E CB -0.216 29.387 29.700 -0.162 0.000 0.749 412 E HN 0.550 nan 8.360 nan 0.000 0.450 413 K N -0.527 119.529 120.400 -0.574 0.000 2.063 413 K HA -0.127 4.188 4.320 -0.009 0.000 0.208 413 K C 1.451 177.527 176.600 -0.874 0.000 1.048 413 K CA 1.436 57.193 56.287 -0.883 0.000 0.928 413 K CB -0.360 31.170 32.500 -1.616 0.000 0.713 413 K HN 0.092 nan 8.250 nan 0.000 0.442 414 F N 0.615 120.265 119.950 -0.500 0.000 2.668 414 F HA 0.387 4.909 4.527 -0.008 0.000 0.301 414 F C 0.096 175.679 175.800 -0.360 0.000 1.106 414 F CA -0.570 57.176 58.000 -0.422 0.000 1.289 414 F CB 0.105 38.784 39.000 -0.535 0.000 1.006 414 F HN -0.249 nan 8.300 nan 0.000 0.535 415 S N 0.021 115.572 115.700 -0.248 0.000 2.552 415 S HA 0.021 4.486 4.470 -0.009 0.000 0.289 415 S C 0.075 174.488 174.600 -0.312 0.000 1.304 415 S CA 0.240 58.181 58.200 -0.433 0.000 1.063 415 S CB -0.269 62.559 63.200 -0.620 0.000 0.848 415 S HN 0.521 nan 8.310 nan 0.000 0.499 416 Y N -0.844 119.410 120.300 -0.076 0.000 4.798 416 Y HA -0.271 4.273 4.550 -0.009 0.000 0.237 416 Y C 0.409 176.283 175.900 -0.044 0.000 1.017 416 Y CA 0.645 58.704 58.100 -0.069 0.000 2.010 416 Y CB -1.951 36.451 38.460 -0.098 0.000 1.582 416 Y HN 0.469 nan 8.280 nan 0.000 0.621 417 K N 0.025 120.443 120.400 0.031 0.000 2.350 417 K HA 0.789 5.104 4.320 -0.009 0.000 0.241 417 K C -0.354 176.225 176.600 -0.035 0.000 0.994 417 K CA -0.922 55.380 56.287 0.026 0.000 0.839 417 K CB 2.069 34.614 32.500 0.076 0.000 1.244 417 K HN -0.098 nan 8.250 nan 0.000 0.443 418 S N 1.498 117.165 115.700 -0.054 0.000 2.478 418 S HA 0.565 5.030 4.470 -0.009 0.000 0.312 418 S C -0.493 174.012 174.600 -0.157 0.000 1.094 418 S CA -0.848 57.290 58.200 -0.103 0.000 1.081 418 S CB 0.472 63.623 63.200 -0.081 0.000 1.007 418 S HN 0.567 nan 8.310 nan 0.000 0.475 419 I N -0.038 120.392 120.570 -0.233 0.000 3.042 419 I HA 0.833 4.997 4.170 -0.009 0.000 0.310 419 I C -0.100 175.823 176.117 -0.323 0.000 1.117 419 I CA -0.872 60.234 61.300 -0.323 0.000 1.003 419 I CB 2.245 39.887 38.000 -0.597 0.000 1.228 419 I HN 0.569 nan 8.210 nan 0.000 0.443 420 T N -1.084 113.258 114.554 -0.354 0.000 2.937 420 T HA 0.348 4.693 4.350 -0.009 0.000 0.283 420 T C 0.876 175.426 174.700 -0.250 0.000 1.012 420 T CA -0.115 61.637 62.100 -0.581 0.000 0.997 420 T CB 1.409 69.946 68.868 -0.551 0.000 1.136 420 T HN 0.696 nan 8.240 nan 0.000 0.551 421 T N 0.952 115.446 114.554 -0.100 0.000 2.737 421 T HA -0.125 4.219 4.350 -0.009 0.000 0.269 421 T C 1.431 176.379 174.700 0.413 0.000 1.040 421 T CA 1.675 64.012 62.100 0.395 0.000 1.142 421 T CB -0.552 68.742 68.868 0.711 0.000 0.861 421 T HN 0.646 nan 8.240 nan 0.000 0.456 422 D N 1.026 121.568 120.400 0.235 0.000 2.144 422 D HA -0.086 4.548 4.640 -0.009 0.000 0.200 422 D C 1.936 178.327 176.300 0.152 0.000 0.978 422 D CA 0.884 54.993 54.000 0.182 0.000 0.833 422 D CB -0.308 40.565 40.800 0.122 0.000 0.961 422 D HN 0.335 nan 8.370 nan 0.000 0.470 423 D N 0.059 120.511 120.400 0.087 0.000 2.104 423 D HA -0.170 4.464 4.640 -0.009 0.000 0.194 423 D C 1.848 178.271 176.300 0.204 0.000 0.994 423 D CA 0.691 54.723 54.000 0.053 0.000 0.830 423 D CB -0.557 40.096 40.800 -0.244 0.000 0.959 423 D HN 0.352 nan 8.370 nan 0.000 0.452 424 W N 2.233 123.558 121.300 0.042 0.000 2.335 424 W HA -0.188 4.467 4.660 -0.009 0.000 0.311 424 W C 2.384 179.119 176.519 0.360 0.000 1.213 424 W CA 1.892 59.395 57.345 0.262 0.000 1.274 424 W CB -0.171 29.395 29.460 0.177 0.000 1.148 424 W HN -0.135 nan 8.180 nan 0.000 0.498 425 K N 0.067 120.602 120.400 0.225 0.000 2.057 425 K HA -0.203 4.111 4.320 -0.009 0.000 0.206 425 K C 1.689 178.233 176.600 -0.092 0.000 1.050 425 K CA 1.996 58.167 56.287 -0.192 0.000 0.935 425 K CB -0.474 31.979 32.500 -0.078 0.000 0.715 425 K HN 0.004 nan 8.250 nan 0.000 0.439 426 D N 0.235 120.664 120.400 0.048 0.000 2.104 426 D HA -0.190 4.444 4.640 -0.009 0.000 0.194 426 D C 1.597 178.022 176.300 0.208 0.000 0.994 426 D CA 1.042 55.101 54.000 0.098 0.000 0.830 426 D CB -0.296 40.589 40.800 0.141 0.000 0.959 426 D HN 0.196 nan 8.370 nan 0.000 0.452 427 F N 0.859 120.921 119.950 0.186 0.000 2.186 427 F HA -0.088 4.433 4.527 -0.010 0.000 0.299 427 F C 2.091 178.017 175.800 0.211 0.000 1.090 427 F CA 0.539 58.688 58.000 0.247 0.000 1.307 427 F CB -0.351 38.920 39.000 0.451 0.000 1.019 427 F HN -0.097 nan 8.300 nan 0.000 0.489 428 L N -0.529 120.667 121.223 -0.045 0.000 2.012 428 L HA -0.264 4.070 4.340 -0.009 0.000 0.210 428 L C 2.074 178.841 176.870 -0.172 0.000 1.073 428 L CA 1.965 56.597 54.840 -0.346 0.000 0.748 428 L CB -1.154 40.468 42.059 -0.729 0.000 0.891 428 L HN 0.174 nan 8.230 nan 0.000 0.431 429 Y N -0.977 119.205 120.300 -0.197 0.000 2.200 429 Y HA -0.229 4.316 4.550 -0.009 0.000 0.290 429 Y C 3.051 178.888 175.900 -0.105 0.000 1.137 429 Y CA 1.829 59.864 58.100 -0.108 0.000 1.163 429 Y CB -0.781 37.614 38.460 -0.109 0.000 0.988 429 Y HN 0.364 nan 8.280 nan 0.000 0.518 430 S N -0.833 114.866 115.700 -0.001 0.000 2.348 430 S HA -0.305 4.160 4.470 -0.009 0.000 0.221 430 S C 2.059 176.512 174.600 -0.244 0.000 1.033 430 S CA 1.531 59.674 58.200 -0.096 0.000 1.010 430 S CB -0.844 62.324 63.200 -0.054 0.000 0.891 430 S HN 0.545 nan 8.310 nan 0.000 0.442 431 Y N 0.554 120.488 120.300 -0.610 0.000 2.181 431 Y HA 0.024 4.569 4.550 -0.009 0.000 0.288 431 Y C 0.858 176.396 175.900 -0.603 0.000 1.146 431 Y CA 1.650 59.331 58.100 -0.700 0.000 1.164 431 Y CB -0.199 37.716 38.460 -0.908 0.000 0.982 431 Y HN 0.342 nan 8.280 nan 0.000 0.515 432 F N 1.861 121.700 119.950 -0.185 0.000 2.916 432 F HA 0.199 4.720 4.527 -0.010 0.000 0.294 432 F C 1.644 177.312 175.800 -0.219 0.000 1.189 432 F CA -0.635 57.237 58.000 -0.213 0.000 1.369 432 F CB -0.172 38.697 39.000 -0.220 0.000 0.961 432 F HN 0.005 nan 8.300 nan 0.000 0.508 433 K N -0.490 119.859 120.400 -0.086 0.000 2.211 433 K HA -0.182 4.132 4.320 -0.009 0.000 0.204 433 K C 0.473 177.051 176.600 -0.036 0.000 1.047 433 K CA 1.634 57.891 56.287 -0.050 0.000 0.935 433 K CB -0.281 32.187 32.500 -0.055 0.000 0.728 433 K HN 0.168 nan 8.250 nan 0.000 0.452 434 D N 1.061 121.433 120.400 -0.045 0.000 2.363 434 D HA 0.033 4.667 4.640 -0.009 0.000 0.226 434 D C 0.391 176.680 176.300 -0.019 0.000 1.020 434 D CA 0.578 54.559 54.000 -0.031 0.000 0.892 434 D CB 0.247 41.022 40.800 -0.041 0.000 0.900 434 D HN 0.353 nan 8.370 nan 0.000 0.531 435 K N -0.415 119.973 120.400 -0.020 0.000 2.619 435 K HA 0.154 4.468 4.320 -0.009 0.000 0.201 435 K C 1.161 177.689 176.600 -0.120 0.000 1.090 435 K CA -0.032 56.217 56.287 -0.063 0.000 1.063 435 K CB 1.475 33.931 32.500 -0.074 0.000 0.810 435 K HN -0.164 nan 8.250 nan 0.000 0.506 436 V N 2.302 122.162 119.914 -0.090 0.000 2.392 436 V HA -0.315 3.799 4.120 -0.009 0.000 0.249 436 V C 2.111 178.193 176.094 -0.020 0.000 1.059 436 V CA 2.403 64.649 62.300 -0.090 0.000 1.051 436 V CB -0.403 31.453 31.823 0.056 0.000 0.658 436 V HN 0.533 nan 8.190 nan 0.000 0.455 437 D N 0.220 120.615 120.400 -0.009 0.000 2.123 437 D HA -0.173 4.462 4.640 -0.009 0.000 0.196 437 D C 2.053 178.343 176.300 -0.016 0.000 0.992 437 D CA 1.603 55.608 54.000 0.007 0.000 0.833 437 D CB -0.713 40.086 40.800 -0.002 0.000 0.954 437 D HN 0.378 nan 8.370 nan 0.000 0.455 438 V N 1.034 120.905 119.914 -0.071 0.000 2.379 438 V HA -0.173 3.942 4.120 -0.009 0.000 0.245 438 V C 2.857 178.871 176.094 -0.133 0.000 1.044 438 V CA 0.969 63.199 62.300 -0.116 0.000 1.036 438 V CB -0.525 31.195 31.823 -0.172 0.000 0.664 438 V HN 0.173 nan 8.190 nan 0.000 0.453 439 L N 0.109 121.235 121.223 -0.162 0.000 2.083 439 L HA -0.207 4.128 4.340 -0.009 0.000 0.209 439 L C 2.082 179.083 176.870 0.219 0.000 1.083 439 L CA 1.897 56.669 54.840 -0.113 0.000 0.752 439 L CB -0.755 40.975 42.059 -0.548 0.000 0.899 439 L HN 0.453 nan 8.230 nan 0.000 0.433 440 N N -0.710 118.119 118.700 0.215 0.000 2.573 440 N HA -0.160 4.574 4.740 -0.009 0.000 0.187 440 N C 1.604 177.219 175.510 0.175 0.000 1.107 440 N CA 0.279 53.511 53.050 0.303 0.000 0.918 440 N CB 0.070 38.697 38.487 0.234 0.000 0.966 440 N HN 0.452 nan 8.380 nan 0.000 0.448 441 Q N 0.174 120.016 119.800 0.071 0.000 2.311 441 Q HA 0.056 4.391 4.340 -0.009 0.000 0.203 441 Q C 0.101 176.099 176.000 -0.005 0.000 0.954 441 Q CA 0.267 56.087 55.803 0.028 0.000 0.885 441 Q CB 0.489 29.223 28.738 -0.006 0.000 0.963 441 Q HN 0.131 nan 8.270 nan 0.000 0.471 442 V N 2.463 122.306 119.914 -0.119 0.000 2.655 442 V HA -0.067 4.048 4.120 -0.009 0.000 0.300 442 V C 0.236 176.140 176.094 -0.317 0.000 1.044 442 V CA 0.064 62.159 62.300 -0.342 0.000 1.095 442 V CB 0.790 31.962 31.823 -1.086 0.000 0.952 442 V HN 0.148 nan 8.190 nan 0.000 0.485 443 D N 3.823 124.178 120.400 -0.075 0.000 2.517 443 D HA 0.089 4.723 4.640 -0.009 0.000 0.220 443 D C 0.667 177.042 176.300 0.124 0.000 1.158 443 D CA -0.141 53.888 54.000 0.048 0.000 0.992 443 D CB 0.110 40.944 40.800 0.056 0.000 1.058 443 D HN 0.570 nan 8.370 nan 0.000 0.516 444 W N 2.279 123.744 121.300 0.276 0.000 2.358 444 W HA -0.179 4.474 4.660 -0.011 0.000 0.303 444 W C 2.269 178.932 176.519 0.239 0.000 1.208 444 W CA 0.709 58.214 57.345 0.265 0.000 1.274 444 W CB -0.341 29.267 29.460 0.247 0.000 1.138 444 W HN 0.367 nan 8.180 nan 0.000 0.515 445 N N 0.402 119.378 118.700 0.460 0.000 2.104 445 N HA -0.197 4.538 4.740 -0.009 0.000 0.190 445 N C 1.694 177.369 175.510 0.276 0.000 1.024 445 N CA 2.328 55.628 53.050 0.417 0.000 0.853 445 N CB -0.501 38.166 38.487 0.301 0.000 1.008 445 N HN 0.058 nan 8.380 nan 0.000 0.424 446 A N -0.420 122.494 122.820 0.157 0.000 1.841 446 A HA -0.071 4.243 4.320 -0.009 0.000 0.214 446 A C 2.065 179.625 177.584 -0.039 0.000 1.195 446 A CA 1.253 53.297 52.037 0.012 0.000 0.611 446 A CB -1.409 17.532 19.000 -0.100 0.000 0.835 446 A HN 0.568 nan 8.150 nan 0.000 0.443 447 W N 0.098 121.348 121.300 -0.084 0.000 2.318 447 W HA -0.162 4.493 4.660 -0.009 0.000 0.313 447 W C 2.116 178.491 176.519 -0.239 0.000 1.221 447 W CA 1.603 58.854 57.345 -0.156 0.000 1.266 447 W CB -0.278 29.082 29.460 -0.167 0.000 1.150 447 W HN 0.241 nan 8.180 nan 0.000 0.496 448 L N -2.630 118.572 121.223 -0.034 0.000 2.249 448 L HA -0.072 4.262 4.340 -0.009 0.000 0.207 448 L C 1.246 177.786 176.870 -0.551 0.000 1.090 448 L CA 0.846 55.392 54.840 -0.490 0.000 0.802 448 L CB -0.454 41.089 42.059 -0.861 0.000 0.947 448 L HN 0.017 nan 8.230 nan 0.000 0.453 449 Y N -1.694 118.657 120.300 0.085 0.000 2.432 449 Y HA 0.272 4.816 4.550 -0.009 0.000 0.252 449 Y C 1.009 176.924 175.900 0.024 0.000 1.097 449 Y CA -0.703 57.434 58.100 0.062 0.000 1.250 449 Y CB 0.349 38.863 38.460 0.090 0.000 1.245 449 Y HN -0.140 nan 8.280 nan 0.000 0.522 450 S N 3.350 119.111 115.700 0.101 0.000 2.578 450 S HA 0.392 4.857 4.470 -0.009 0.000 0.283 450 S C -2.453 172.136 174.600 -0.019 0.000 1.195 450 S CA -1.287 56.933 58.200 0.033 0.000 1.050 450 S CB 1.258 64.455 63.200 -0.006 0.000 1.012 450 S HN -0.060 nan 8.310 nan 0.000 0.511 451 P HA 0.457 nan 4.420 nan 0.000 0.274 451 P C 0.488 177.750 177.300 -0.064 0.000 1.256 451 P CA 0.201 63.282 63.100 -0.032 0.000 0.795 451 P CB 0.089 31.777 31.700 -0.021 0.000 1.038 452 G N -0.803 107.961 108.800 -0.060 0.000 2.698 452 G HA2 -0.174 3.781 3.960 -0.009 0.000 0.225 452 G HA3 -0.174 3.781 3.960 -0.009 0.000 0.225 452 G C -0.735 174.071 174.900 -0.156 0.000 1.345 452 G CA -0.625 44.424 45.100 -0.086 0.000 0.871 452 G HN 0.575 nan 8.290 nan 0.000 0.540 453 L N 1.628 122.742 121.223 -0.182 0.000 2.483 453 L HA 0.250 4.585 4.340 -0.009 0.000 0.276 453 L C -1.261 175.424 176.870 -0.309 0.000 1.213 453 L CA -1.171 53.506 54.840 -0.272 0.000 0.843 453 L CB 0.101 42.034 42.059 -0.210 0.000 1.107 453 L HN 0.424 nan 8.230 nan 0.000 0.487 454 P HA -0.016 nan 4.420 nan 0.000 0.269 454 P C -1.924 175.001 177.300 -0.624 0.000 1.211 454 P CA -0.823 61.801 63.100 -0.794 0.000 0.781 454 P CB -0.100 30.982 31.700 -1.030 0.000 0.877 455 P HA 0.018 nan 4.420 nan 0.000 0.223 455 P C 0.184 177.281 177.300 -0.339 0.000 1.151 455 P CA 1.635 64.452 63.100 -0.472 0.000 0.787 455 P CB 0.430 31.860 31.700 -0.451 0.000 0.788 456 I N -0.227 120.093 120.570 -0.417 0.000 2.569 456 I HA 0.283 4.448 4.170 -0.009 0.000 0.290 456 I C 0.054 176.093 176.117 -0.130 0.000 1.088 456 I CA -1.157 59.998 61.300 -0.242 0.000 1.047 456 I CB 2.884 40.672 38.000 -0.353 0.000 1.237 456 I HN -0.189 nan 8.210 nan 0.000 0.421 457 K N 7.090 127.395 120.400 -0.159 0.000 2.183 457 K HA 0.532 4.847 4.320 -0.009 0.000 0.274 457 K C -2.458 173.988 176.600 -0.256 0.000 1.009 457 K CA -1.268 54.784 56.287 -0.392 0.000 0.888 457 K CB 1.416 33.525 32.500 -0.652 0.000 1.078 457 K HN 0.218 nan 8.250 nan 0.000 0.459 458 P HA 0.038 nan 4.420 nan 0.000 0.271 458 P C -1.143 175.861 177.300 -0.494 0.000 1.244 458 P CA -0.366 62.512 63.100 -0.371 0.000 0.793 458 P CB 0.444 31.843 31.700 -0.502 0.000 0.984 459 N N 0.671 119.064 118.700 -0.511 0.000 2.472 459 N HA 0.217 4.952 4.740 -0.009 0.000 0.277 459 N C -0.933 174.380 175.510 -0.328 0.000 1.081 459 N CA 0.091 52.963 53.050 -0.296 0.000 0.973 459 N CB 0.112 38.495 38.487 -0.173 0.000 1.105 459 N HN 0.351 nan 8.380 nan 0.000 0.470 460 Y N -0.438 119.945 120.300 0.138 0.000 2.338 460 Y HA 0.159 4.703 4.550 -0.010 0.000 0.333 460 Y C 0.302 176.391 175.900 0.315 0.000 0.968 460 Y CA -1.189 57.110 58.100 0.331 0.000 1.123 460 Y CB 1.238 39.813 38.460 0.191 0.000 1.165 460 Y HN 0.452 nan 8.280 nan 0.000 0.452 461 D N 2.641 123.386 120.400 0.576 0.000 2.525 461 D HA -0.021 4.614 4.640 -0.009 0.000 0.235 461 D C 0.629 177.090 176.300 0.268 0.000 1.137 461 D CA 0.553 54.685 54.000 0.221 0.000 0.868 461 D CB 0.786 41.552 40.800 -0.057 0.000 1.180 461 D HN 0.437 nan 8.370 nan 0.000 0.465 462 M N 2.347 122.056 119.600 0.181 0.000 2.382 462 M HA 0.004 4.479 4.480 -0.009 0.000 0.247 462 M C 1.741 178.141 176.300 0.166 0.000 1.104 462 M CA 0.269 55.672 55.300 0.172 0.000 1.030 462 M CB -0.553 32.124 32.600 0.129 0.000 1.424 462 M HN 0.450 nan 8.290 nan 0.000 0.486 463 T N 1.784 116.423 114.554 0.143 0.000 2.624 463 T HA -0.175 4.169 4.350 -0.009 0.000 0.268 463 T C 1.872 176.648 174.700 0.127 0.000 1.041 463 T CA 1.530 63.698 62.100 0.114 0.000 1.159 463 T CB -0.325 68.596 68.868 0.087 0.000 0.863 463 T HN 0.355 nan 8.240 nan 0.000 0.434 464 L N 0.347 121.670 121.223 0.167 0.000 2.418 464 L HA 0.037 4.372 4.340 -0.009 0.000 0.218 464 L C 2.688 179.715 176.870 0.261 0.000 1.125 464 L CA 0.750 55.663 54.840 0.121 0.000 0.835 464 L CB -0.515 41.525 42.059 -0.032 0.000 0.953 464 L HN 0.279 nan 8.230 nan 0.000 0.454 465 T N -0.963 113.812 114.554 0.369 0.000 2.978 465 T HA -0.065 4.279 4.350 -0.009 0.000 0.262 465 T C 1.560 176.396 174.700 0.226 0.000 1.063 465 T CA 0.987 63.302 62.100 0.359 0.000 1.140 465 T CB -0.230 68.781 68.868 0.240 0.000 0.886 465 T HN 0.373 nan 8.240 nan 0.000 0.470 466 N N 1.626 120.428 118.700 0.171 0.000 2.037 466 N HA -0.169 4.566 4.740 -0.009 0.000 0.196 466 N C 2.171 177.762 175.510 0.135 0.000 1.034 466 N CA 1.268 54.397 53.050 0.133 0.000 0.861 466 N CB -0.233 38.317 38.487 0.104 0.000 1.039 466 N HN 0.358 nan 8.380 nan 0.000 0.427 467 A N 0.492 123.387 122.820 0.126 0.000 1.972 467 A HA -0.159 4.155 4.320 -0.009 0.000 0.219 467 A C 2.421 180.098 177.584 0.155 0.000 1.169 467 A CA 1.163 53.268 52.037 0.114 0.000 0.635 467 A CB -0.885 18.160 19.000 0.075 0.000 0.810 467 A HN 0.517 nan 8.150 nan 0.000 0.446 468 C N -0.675 118.748 119.300 0.204 0.000 2.453 468 C HA -0.045 4.409 4.460 -0.009 0.000 0.277 468 C C 2.516 177.689 174.990 0.305 0.000 1.262 468 C CA 0.837 60.026 59.018 0.285 0.000 1.718 468 C CB -1.355 26.575 27.740 0.316 0.000 2.031 468 C HN 0.629 nan 8.230 nan 0.000 0.480 469 I N 1.667 122.370 120.570 0.222 0.000 2.226 469 I HA -0.209 3.955 4.170 -0.009 0.000 0.245 469 I C 2.816 179.059 176.117 0.209 0.000 1.100 469 I CA 1.572 62.985 61.300 0.189 0.000 1.374 469 I CB -0.632 37.449 38.000 0.135 0.000 1.057 469 I HN 0.293 nan 8.210 nan 0.000 0.413 470 A N 0.751 123.684 122.820 0.189 0.000 1.883 470 A HA -0.234 4.080 4.320 -0.009 0.000 0.217 470 A C 2.252 179.978 177.584 0.237 0.000 1.186 470 A CA 1.658 53.800 52.037 0.175 0.000 0.624 470 A CB -0.842 18.236 19.000 0.130 0.000 0.822 470 A HN 0.370 nan 8.150 nan 0.000 0.444 471 L N -0.341 121.050 121.223 0.280 0.000 2.093 471 L HA -0.061 4.274 4.340 -0.009 0.000 0.208 471 L C 2.645 179.922 176.870 0.679 0.000 1.085 471 L CA 2.379 57.443 54.840 0.373 0.000 0.755 471 L CB -0.672 41.465 42.059 0.130 0.000 0.904 471 L HN 0.375 nan 8.230 nan 0.000 0.435 472 S N -1.370 114.742 115.700 0.686 0.000 2.356 472 S HA -0.209 4.256 4.470 -0.009 0.000 0.223 472 S C 1.975 176.821 174.600 0.411 0.000 1.032 472 S CA 1.159 59.693 58.200 0.555 0.000 1.005 472 S CB -0.218 63.130 63.200 0.245 0.000 0.867 472 S HN 0.550 nan 8.310 nan 0.000 0.449 473 Q N 0.843 120.829 119.800 0.309 0.000 2.124 473 Q HA -0.024 4.310 4.340 -0.009 0.000 0.202 473 Q C 2.369 178.525 176.000 0.260 0.000 0.977 473 Q CA 1.159 57.102 55.803 0.235 0.000 0.850 473 Q CB -0.439 28.401 28.738 0.170 0.000 0.901 473 Q HN 0.570 nan 8.270 nan 0.000 0.429 474 R N -0.912 119.773 120.500 0.308 0.000 2.083 474 R HA -0.175 4.160 4.340 -0.009 0.000 0.237 474 R C 2.099 178.624 176.300 0.374 0.000 1.137 474 R CA 1.590 57.866 56.100 0.294 0.000 0.951 474 R CB -0.256 30.236 30.300 0.321 0.000 0.851 474 R HN 0.311 nan 8.270 nan 0.000 0.434 475 W N 0.565 122.080 121.300 0.358 0.000 2.379 475 W HA -0.047 4.607 4.660 -0.009 0.000 0.307 475 W C 2.007 178.690 176.519 0.272 0.000 1.200 475 W CA 0.672 58.151 57.345 0.222 0.000 1.297 475 W CB -0.300 29.220 29.460 0.100 0.000 1.140 475 W HN 0.004 nan 8.180 nan 0.000 0.507 476 I N 0.058 120.883 120.570 0.425 0.000 2.208 476 I HA -0.319 3.845 4.170 -0.009 0.000 0.245 476 I C 2.468 178.720 176.117 0.226 0.000 1.097 476 I CA 2.004 63.465 61.300 0.268 0.000 1.363 476 I CB -0.918 37.186 38.000 0.173 0.000 1.051 476 I HN 0.020 nan 8.210 nan 0.000 0.413 477 T N -1.158 113.524 114.554 0.212 0.000 3.113 477 T HA 0.306 4.651 4.350 -0.009 0.000 0.256 477 T C 0.890 175.691 174.700 0.168 0.000 1.131 477 T CA 0.114 62.307 62.100 0.155 0.000 1.074 477 T CB -0.366 68.569 68.868 0.112 0.000 0.944 477 T HN 0.231 nan 8.240 nan 0.000 0.516 478 A N 1.463 124.427 122.820 0.240 0.000 2.498 478 A HA 0.518 4.833 4.320 -0.009 0.000 0.239 478 A C 0.239 177.983 177.584 0.265 0.000 1.068 478 A CA -0.302 51.845 52.037 0.184 0.000 0.766 478 A CB 0.158 19.244 19.000 0.142 0.000 1.003 478 A HN 0.419 nan 8.150 nan 0.000 0.497 479 K N 0.253 120.726 120.400 0.121 0.000 2.210 479 K HA 0.319 4.633 4.320 -0.009 0.000 0.236 479 K C 1.205 177.843 176.600 0.064 0.000 1.016 479 K CA -0.239 56.128 56.287 0.134 0.000 0.913 479 K CB 0.720 33.260 32.500 0.066 0.000 1.141 479 K HN 0.794 nan 8.250 nan 0.000 0.462 480 E N 0.922 121.177 120.200 0.091 0.000 2.114 480 E HA -0.288 4.056 4.350 -0.009 0.000 0.199 480 E C 0.645 177.227 176.600 -0.029 0.000 1.008 480 E CA 2.090 58.512 56.400 0.037 0.000 0.810 480 E CB 0.045 29.774 29.700 0.049 0.000 0.739 480 E HN 0.663 nan 8.360 nan 0.000 0.456 481 D N -0.184 120.197 120.400 -0.032 0.000 2.378 481 D HA -0.145 4.490 4.640 -0.009 0.000 0.227 481 D C 0.761 176.995 176.300 -0.109 0.000 1.012 481 D CA 0.632 54.596 54.000 -0.060 0.000 0.905 481 D CB -0.132 40.640 40.800 -0.045 0.000 0.895 481 D HN 0.216 nan 8.370 nan 0.000 0.532 482 D N 0.008 120.324 120.400 -0.140 0.000 2.366 482 D HA 0.079 4.713 4.640 -0.009 0.000 0.205 482 D C 2.209 178.296 176.300 -0.354 0.000 1.022 482 D CA -0.049 53.800 54.000 -0.252 0.000 0.868 482 D CB 0.393 41.052 40.800 -0.234 0.000 0.953 482 D HN 0.275 nan 8.370 nan 0.000 0.514 483 L N 0.897 121.994 121.223 -0.210 0.000 2.083 483 L HA -0.182 4.152 4.340 -0.009 0.000 0.209 483 L C 2.197 179.000 176.870 -0.111 0.000 1.083 483 L CA 0.905 55.674 54.840 -0.117 0.000 0.752 483 L CB -0.456 41.547 42.059 -0.093 0.000 0.899 483 L HN -0.000 nan 8.230 nan 0.000 0.433 484 N N 0.092 118.707 118.700 -0.143 0.000 2.205 484 N HA -0.204 4.531 4.740 -0.009 0.000 0.186 484 N C 1.905 177.302 175.510 -0.189 0.000 1.015 484 N CA 1.420 54.394 53.050 -0.128 0.000 0.862 484 N CB 0.011 38.433 38.487 -0.108 0.000 0.986 484 N HN 0.336 nan 8.380 nan 0.000 0.429 485 S N -1.438 114.056 115.700 -0.344 0.000 2.515 485 S HA 0.026 4.491 4.470 -0.009 0.000 0.231 485 S C 0.313 174.633 174.600 -0.467 0.000 0.987 485 S CA -0.098 57.853 58.200 -0.414 0.000 0.936 485 S CB -0.546 62.351 63.200 -0.504 0.000 0.766 485 S HN 0.124 nan 8.310 nan 0.000 0.528 486 F N 2.868 122.658 119.950 -0.266 0.000 2.429 486 F HA 0.559 5.080 4.527 -0.009 0.000 0.348 486 F C 0.864 176.590 175.800 -0.123 0.000 1.109 486 F CA -0.799 57.058 58.000 -0.239 0.000 1.232 486 F CB 0.464 39.201 39.000 -0.440 0.000 1.157 486 F HN 0.194 nan 8.300 nan 0.000 0.564 487 N N 0.496 119.315 118.700 0.199 0.000 2.598 487 N HA 0.299 5.033 4.740 -0.009 0.000 0.263 487 N C 0.264 175.918 175.510 0.239 0.000 1.254 487 N CA -0.008 53.118 53.050 0.127 0.000 0.863 487 N CB 1.984 40.506 38.487 0.058 0.000 1.586 487 N HN 0.579 nan 8.380 nan 0.000 0.491 488 A N 1.109 124.028 122.820 0.165 0.000 2.009 488 A HA -0.230 4.084 4.320 -0.009 0.000 0.222 488 A C 1.893 179.543 177.584 0.110 0.000 1.175 488 A CA 2.948 55.086 52.037 0.170 0.000 0.651 488 A CB -1.250 17.795 19.000 0.075 0.000 0.815 488 A HN 0.864 nan 8.150 nan 0.000 0.459 489 T N -2.524 112.081 114.554 0.084 0.000 3.007 489 T HA -0.130 4.214 4.350 -0.009 0.000 0.270 489 T C 1.160 175.884 174.700 0.040 0.000 1.107 489 T CA 1.315 63.441 62.100 0.043 0.000 1.118 489 T CB -0.499 68.386 68.868 0.027 0.000 0.889 489 T HN 0.445 nan 8.240 nan 0.000 0.506 490 D N 1.780 122.240 120.400 0.100 0.000 2.228 490 D HA -0.046 4.589 4.640 -0.009 0.000 0.203 490 D C 1.757 178.009 176.300 -0.079 0.000 0.988 490 D CA 0.916 54.958 54.000 0.071 0.000 0.864 490 D CB -0.185 40.765 40.800 0.251 0.000 0.928 490 D HN 0.470 nan 8.370 nan 0.000 0.469 491 L N 0.072 121.216 121.223 -0.133 0.000 2.585 491 L HA 0.107 4.442 4.340 -0.009 0.000 0.226 491 L C 2.220 179.033 176.870 -0.096 0.000 1.113 491 L CA -0.093 54.632 54.840 -0.191 0.000 0.876 491 L CB -0.088 41.815 42.059 -0.260 0.000 1.072 491 L HN -0.100 nan 8.230 nan 0.000 0.468 492 K N 1.167 121.534 120.400 -0.055 0.000 2.052 492 K HA -0.241 4.074 4.320 -0.009 0.000 0.215 492 K C 0.684 177.263 176.600 -0.035 0.000 1.053 492 K CA 2.100 58.367 56.287 -0.034 0.000 0.934 492 K CB 0.046 32.535 32.500 -0.018 0.000 0.717 492 K HN 0.347 nan 8.250 nan 0.000 0.450 493 D N 0.381 120.760 120.400 -0.035 0.000 2.388 493 D HA 0.095 4.729 4.640 -0.009 0.000 0.221 493 D C -0.180 176.098 176.300 -0.036 0.000 1.133 493 D CA 0.132 54.114 54.000 -0.030 0.000 0.831 493 D CB 0.309 41.097 40.800 -0.019 0.000 0.962 493 D HN 0.191 nan 8.370 nan 0.000 0.502 494 L N 1.496 122.690 121.223 -0.049 0.000 2.295 494 L HA 0.198 4.532 4.340 -0.009 0.000 0.285 494 L C 1.045 177.889 176.870 -0.043 0.000 1.035 494 L CA -0.587 54.226 54.840 -0.046 0.000 0.806 494 L CB 1.655 43.677 42.059 -0.062 0.000 1.214 494 L HN -0.085 nan 8.230 nan 0.000 0.426 495 S N 0.579 116.257 115.700 -0.037 0.000 2.608 495 S HA 0.064 4.528 4.470 -0.009 0.000 0.261 495 S C 1.315 175.894 174.600 -0.036 0.000 1.314 495 S CA -0.134 58.048 58.200 -0.031 0.000 0.992 495 S CB 1.393 64.598 63.200 0.009 0.000 0.935 495 S HN 0.754 nan 8.310 nan 0.000 0.564 496 S N 0.629 116.267 115.700 -0.104 0.000 2.383 496 S HA -0.268 4.196 4.470 -0.009 0.000 0.229 496 S C 1.490 176.023 174.600 -0.111 0.000 1.030 496 S CA 1.731 59.841 58.200 -0.150 0.000 1.002 496 S CB -1.370 61.690 63.200 -0.232 0.000 0.829 496 S HN 0.889 nan 8.310 nan 0.000 0.467 497 H N 1.491 120.593 119.070 0.054 0.000 2.352 497 H HA -0.001 4.549 4.556 -0.010 0.000 0.299 497 H C 2.562 178.035 175.328 0.241 0.000 1.097 497 H CA 1.956 58.110 56.048 0.177 0.000 1.311 497 H CB -0.310 29.593 29.762 0.235 0.000 1.377 497 H HN 0.517 nan 8.280 nan 0.000 0.504 498 Q N 0.082 120.005 119.800 0.205 0.000 2.123 498 Q HA -0.056 4.278 4.340 -0.009 0.000 0.199 498 Q C 2.250 178.373 176.000 0.207 0.000 0.966 498 Q CA 0.731 56.659 55.803 0.209 0.000 0.845 498 Q CB 0.094 28.864 28.738 0.054 0.000 0.907 498 Q HN 0.467 nan 8.270 nan 0.000 0.439 499 L N 0.642 121.928 121.223 0.106 0.000 2.017 499 L HA -0.228 4.106 4.340 -0.009 0.000 0.208 499 L C 2.228 179.152 176.870 0.090 0.000 1.073 499 L CA 1.231 56.116 54.840 0.075 0.000 0.745 499 L CB -0.537 41.499 42.059 -0.038 0.000 0.894 499 L HN 0.315 nan 8.230 nan 0.000 0.432 500 N N 0.253 118.993 118.700 0.067 0.000 2.069 500 N HA -0.261 4.473 4.740 -0.009 0.000 0.191 500 N C 1.775 177.337 175.510 0.088 0.000 1.031 500 N CA 1.601 54.682 53.050 0.052 0.000 0.852 500 N CB 0.009 38.550 38.487 0.089 0.000 1.018 500 N HN 0.187 nan 8.380 nan 0.000 0.423 501 E N -0.467 119.852 120.200 0.198 0.000 2.106 501 E HA -0.136 4.209 4.350 -0.009 0.000 0.192 501 E C 1.744 178.427 176.600 0.138 0.000 0.984 501 E CA 0.800 57.294 56.400 0.157 0.000 0.806 501 E CB -0.666 29.193 29.700 0.265 0.000 0.750 501 E HN 0.471 nan 8.360 nan 0.000 0.458 502 F N 0.702 120.694 119.950 0.070 0.000 2.091 502 F HA -0.180 4.342 4.527 -0.009 0.000 0.299 502 F C 1.748 177.553 175.800 0.007 0.000 1.103 502 F CA 1.656 59.686 58.000 0.049 0.000 1.228 502 F CB -0.430 38.595 39.000 0.042 0.000 0.984 502 F HN 0.077 nan 8.300 nan 0.000 0.477 503 L N -0.011 121.035 121.223 -0.296 0.000 2.056 503 L HA -0.139 4.196 4.340 -0.009 0.000 0.207 503 L C 2.848 179.547 176.870 -0.284 0.000 1.078 503 L CA 1.110 55.702 54.840 -0.414 0.000 0.749 503 L CB -1.136 40.768 42.059 -0.258 0.000 0.901 503 L HN 0.286 nan 8.230 nan 0.000 0.433 504 A N -0.801 121.923 122.820 -0.159 0.000 1.902 504 A HA -0.223 4.091 4.320 -0.009 0.000 0.217 504 A C 2.260 179.768 177.584 -0.126 0.000 1.181 504 A CA 1.319 53.285 52.037 -0.119 0.000 0.623 504 A CB -0.367 18.594 19.000 -0.065 0.000 0.818 504 A HN 0.390 nan 8.150 nan 0.000 0.443 505 Q N -0.551 119.175 119.800 -0.123 0.000 2.050 505 Q HA -0.132 4.203 4.340 -0.009 0.000 0.202 505 Q C 2.228 178.150 176.000 -0.130 0.000 0.980 505 Q CA 2.140 57.890 55.803 -0.088 0.000 0.840 505 Q CB -0.919 27.805 28.738 -0.024 0.000 0.898 505 Q HN 0.689 nan 8.270 nan 0.000 0.424 506 T N 1.889 116.290 114.554 -0.256 0.000 2.821 506 T HA -0.108 4.237 4.350 -0.009 0.000 0.267 506 T C 1.885 176.476 174.700 -0.181 0.000 1.046 506 T CA 0.768 62.719 62.100 -0.249 0.000 1.139 506 T CB -0.269 68.315 68.868 -0.472 0.000 0.871 506 T HN 0.088 nan 8.240 nan 0.000 0.454 507 L N 1.376 122.481 121.223 -0.197 0.000 2.131 507 L HA -0.051 4.284 4.340 -0.009 0.000 0.210 507 L C 2.354 179.146 176.870 -0.131 0.000 1.092 507 L CA 1.650 56.387 54.840 -0.171 0.000 0.759 507 L CB -0.699 41.244 42.059 -0.194 0.000 0.903 507 L HN 0.240 nan 8.230 nan 0.000 0.435 508 Q N -0.860 118.875 119.800 -0.109 0.000 2.291 508 Q HA -0.176 4.158 4.340 -0.009 0.000 0.206 508 Q C 1.314 177.275 176.000 -0.065 0.000 0.976 508 Q CA 1.201 56.957 55.803 -0.079 0.000 0.875 508 Q CB 0.051 28.755 28.738 -0.058 0.000 0.927 508 Q HN 0.371 nan 8.270 nan 0.000 0.450 509 R N -0.666 119.794 120.500 -0.066 0.000 2.468 509 R HA 0.272 4.606 4.340 -0.009 0.000 0.280 509 R C -0.364 175.897 176.300 -0.065 0.000 0.963 509 R CA -0.000 56.070 56.100 -0.049 0.000 1.083 509 R CB 0.678 30.964 30.300 -0.022 0.000 1.200 509 R HN 0.048 nan 8.270 nan 0.000 0.541 510 A N 2.289 125.055 122.820 -0.090 0.000 2.445 510 A HA 0.389 4.704 4.320 -0.009 0.000 0.242 510 A C -1.869 175.654 177.584 -0.102 0.000 1.075 510 A CA -0.948 51.023 52.037 -0.109 0.000 0.777 510 A CB -0.234 18.683 19.000 -0.139 0.000 1.013 510 A HN 0.037 nan 8.150 nan 0.000 0.493 511 P HA 0.478 nan 4.420 nan 0.000 0.277 511 P C -0.955 176.275 177.300 -0.117 0.000 1.240 511 P CA -0.363 62.658 63.100 -0.131 0.000 0.798 511 P CB 0.783 32.398 31.700 -0.142 0.000 0.979 512 L N 3.211 124.358 121.223 -0.126 0.000 2.358 512 L HA 0.518 4.852 4.340 -0.009 0.000 0.268 512 L C -2.093 174.666 176.870 -0.185 0.000 1.032 512 L CA -2.146 52.612 54.840 -0.137 0.000 0.805 512 L CB 0.137 42.153 42.059 -0.073 0.000 1.253 512 L HN 0.293 nan 8.230 nan 0.000 0.452 513 P HA -0.019 nan 4.420 nan 0.000 0.266 513 P C 0.542 177.752 177.300 -0.151 0.000 1.195 513 P CA -0.228 62.721 63.100 -0.252 0.000 0.768 513 P CB 0.459 31.917 31.700 -0.404 0.000 0.838 514 L N 4.109 125.253 121.223 -0.131 0.000 2.042 514 L HA -0.115 4.219 4.340 -0.009 0.000 0.210 514 L C 2.223 178.977 176.870 -0.194 0.000 1.076 514 L CA 2.655 57.387 54.840 -0.179 0.000 0.749 514 L CB -1.655 40.316 42.059 -0.147 0.000 0.893 514 L HN 0.539 nan 8.230 nan 0.000 0.432 515 G N -2.096 106.665 108.800 -0.065 0.000 2.442 515 G HA2 -0.324 3.631 3.960 -0.009 0.000 0.219 515 G HA3 -0.324 3.631 3.960 -0.009 0.000 0.219 515 G C 1.325 176.287 174.900 0.104 0.000 1.141 515 G CA 1.097 46.198 45.100 0.002 0.000 0.763 515 G HN 0.553 nan 8.290 nan 0.000 0.554 516 H N 0.382 119.451 119.070 -0.001 0.000 2.321 516 H HA 0.001 4.552 4.556 -0.009 0.000 0.300 516 H C 2.656 177.977 175.328 -0.010 0.000 1.087 516 H CA 0.900 57.036 56.048 0.147 0.000 1.319 516 H CB -0.182 29.709 29.762 0.215 0.000 1.379 516 H HN 0.221 nan 8.280 nan 0.000 0.501 517 I N 0.914 121.475 120.570 -0.015 0.000 2.226 517 I HA -0.199 3.965 4.170 -0.009 0.000 0.245 517 I C 2.046 177.999 176.117 -0.273 0.000 1.100 517 I CA 1.178 62.401 61.300 -0.127 0.000 1.374 517 I CB -0.906 36.972 38.000 -0.203 0.000 1.057 517 I HN 0.205 nan 8.210 nan 0.000 0.413 518 K N 0.295 120.364 120.400 -0.552 0.000 2.032 518 K HA -0.234 4.080 4.320 -0.009 0.000 0.209 518 K C 2.256 178.730 176.600 -0.211 0.000 1.048 518 K CA 1.509 57.409 56.287 -0.646 0.000 0.927 518 K CB -0.181 31.976 32.500 -0.572 0.000 0.712 518 K HN 0.018 nan 8.250 nan 0.000 0.441 519 R N 1.184 121.627 120.500 -0.096 0.000 2.081 519 R HA -0.025 4.310 4.340 -0.009 0.000 0.235 519 R C 2.046 178.297 176.300 -0.082 0.000 1.131 519 R CA 1.584 57.685 56.100 0.002 0.000 0.960 519 R CB -0.326 30.063 30.300 0.148 0.000 0.856 519 R HN 0.169 nan 8.270 nan 0.000 0.436 520 M N -0.096 119.356 119.600 -0.246 0.000 2.106 520 M HA -0.237 4.238 4.480 -0.009 0.000 0.259 520 M C 2.222 178.237 176.300 -0.474 0.000 1.068 520 M CA 2.146 57.079 55.300 -0.611 0.000 1.100 520 M CB -0.361 31.909 32.600 -0.551 0.000 1.351 520 M HN 0.200 nan 8.290 nan 0.000 0.404 521 Q N 0.825 120.564 119.800 -0.102 0.000 2.079 521 Q HA -0.203 4.131 4.340 -0.009 0.000 0.200 521 Q C 1.615 177.584 176.000 -0.051 0.000 0.974 521 Q CA 2.073 57.892 55.803 0.026 0.000 0.840 521 Q CB -0.315 28.762 28.738 0.564 0.000 0.898 521 Q HN 0.572 nan 8.270 nan 0.000 0.430 522 E N -0.860 119.314 120.200 -0.043 0.000 2.058 522 E HA -0.167 4.177 4.350 -0.009 0.000 0.194 522 E C 1.674 178.215 176.600 -0.098 0.000 0.997 522 E CA 2.068 58.446 56.400 -0.036 0.000 0.801 522 E CB 0.023 29.711 29.700 -0.020 0.000 0.746 522 E HN 0.371 nan 8.360 nan 0.000 0.450 523 V N -2.067 117.721 119.914 -0.210 0.000 3.125 523 V HA 0.037 4.151 4.120 -0.009 0.000 0.249 523 V C 1.406 177.398 176.094 -0.171 0.000 1.113 523 V CA 0.555 62.725 62.300 -0.216 0.000 1.106 523 V CB -0.400 31.268 31.823 -0.259 0.000 0.768 523 V HN 0.199 nan 8.190 nan 0.000 0.468 524 Y N 0.524 120.595 120.300 -0.382 0.000 2.462 524 Y HA 0.389 4.933 4.550 -0.010 0.000 0.253 524 Y C 1.347 176.886 175.900 -0.601 0.000 1.095 524 Y CA -0.736 56.979 58.100 -0.641 0.000 1.283 524 Y CB -0.918 36.738 38.460 -1.341 0.000 1.138 524 Y HN 0.474 nan 8.280 nan 0.000 0.522 525 N N 0.289 118.803 118.700 -0.310 0.000 2.725 525 N HA -0.246 4.488 4.740 -0.009 0.000 0.251 525 N C -0.037 175.381 175.510 -0.153 0.000 1.031 525 N CA -0.123 52.831 53.050 -0.161 0.000 0.720 525 N CB -0.908 37.545 38.487 -0.057 0.000 0.930 525 N HN 0.061 nan 8.380 nan 0.000 0.543 526 F N 0.454 120.142 119.950 -0.436 0.000 2.333 526 F HA -0.043 4.479 4.527 -0.009 0.000 0.300 526 F C 2.200 177.760 175.800 -0.399 0.000 1.083 526 F CA 0.645 58.211 58.000 -0.724 0.000 1.395 526 F CB -0.403 37.508 39.000 -1.815 0.000 1.056 526 F HN 0.292 nan 8.300 nan 0.000 0.529 527 N N 0.222 118.994 118.700 0.119 0.000 2.364 527 N HA -0.109 4.625 4.740 -0.009 0.000 0.183 527 N C 1.934 177.525 175.510 0.134 0.000 1.022 527 N CA 1.091 54.309 53.050 0.281 0.000 0.883 527 N CB -0.360 38.289 38.487 0.270 0.000 0.965 527 N HN 0.248 nan 8.380 nan 0.000 0.438 528 A N 0.158 123.024 122.820 0.075 0.000 2.169 528 A HA 0.160 4.474 4.320 -0.009 0.000 0.212 528 A C 0.930 178.536 177.584 0.036 0.000 1.153 528 A CA -0.099 51.966 52.037 0.047 0.000 0.756 528 A CB -0.039 18.978 19.000 0.029 0.000 0.813 528 A HN 0.131 nan 8.150 nan 0.000 0.471 529 I N 1.371 121.964 120.570 0.039 0.000 2.416 529 I HA 0.056 4.220 4.170 -0.009 0.000 0.288 529 I C 0.194 176.316 176.117 0.009 0.000 1.051 529 I CA -0.367 60.941 61.300 0.013 0.000 1.375 529 I CB 0.782 38.774 38.000 -0.013 0.000 1.407 529 I HN 0.205 nan 8.210 nan 0.000 0.516 530 N N 3.965 122.664 118.700 -0.001 0.000 2.299 530 N HA -0.036 4.699 4.740 -0.009 0.000 0.187 530 N C 0.557 176.059 175.510 -0.014 0.000 1.099 530 N CA 0.112 53.160 53.050 -0.003 0.000 0.867 530 N CB -0.011 38.476 38.487 0.001 0.000 0.974 530 N HN 0.557 nan 8.380 nan 0.000 0.477 531 N N 2.182 120.868 118.700 -0.023 0.000 2.374 531 N HA -0.081 4.653 4.740 -0.009 0.000 0.269 531 N C 1.194 176.676 175.510 -0.047 0.000 1.310 531 N CA 0.216 53.250 53.050 -0.026 0.000 0.877 531 N CB 0.720 39.180 38.487 -0.045 0.000 1.096 531 N HN 0.167 nan 8.380 nan 0.000 0.484 532 S N 3.561 119.239 115.700 -0.038 0.000 2.382 532 S HA -0.110 4.354 4.470 -0.009 0.000 0.228 532 S C 1.279 175.671 174.600 -0.348 0.000 1.027 532 S CA 0.642 58.739 58.200 -0.172 0.000 0.991 532 S CB -0.016 63.162 63.200 -0.037 0.000 0.823 532 S HN 0.600 nan 8.310 nan 0.000 0.469 533 E N 1.539 121.697 120.200 -0.070 0.000 2.051 533 E HA -0.021 4.324 4.350 -0.009 0.000 0.192 533 E C 2.171 178.782 176.600 0.018 0.000 0.991 533 E CA 1.196 57.624 56.400 0.047 0.000 0.799 533 E CB -0.444 29.353 29.700 0.162 0.000 0.748 533 E HN 0.608 nan 8.360 nan 0.000 0.449 534 I N 0.712 121.258 120.570 -0.040 0.000 2.142 534 I HA -0.271 3.893 4.170 -0.009 0.000 0.240 534 I C 2.877 178.945 176.117 -0.080 0.000 1.078 534 I CA 1.147 62.388 61.300 -0.099 0.000 1.343 534 I CB -0.299 37.608 38.000 -0.156 0.000 1.046 534 I HN 0.027 nan 8.210 nan 0.000 0.405 535 R N 0.692 121.157 120.500 -0.060 0.000 2.081 535 R HA -0.243 4.092 4.340 -0.009 0.000 0.235 535 R C 2.460 178.755 176.300 -0.007 0.000 1.131 535 R CA 1.764 57.876 56.100 0.019 0.000 0.960 535 R CB -0.452 29.843 30.300 -0.008 0.000 0.856 535 R HN 0.245 nan 8.270 nan 0.000 0.436 536 F N 1.539 121.303 119.950 -0.309 0.000 2.043 536 F HA -0.245 4.276 4.527 -0.010 0.000 0.297 536 F C 2.159 177.860 175.800 -0.165 0.000 1.121 536 F CA 1.952 59.745 58.000 -0.344 0.000 1.199 536 F CB -0.369 38.233 39.000 -0.663 0.000 0.968 536 F HN -0.071 nan 8.300 nan 0.000 0.478 537 R N -0.347 119.921 120.500 -0.386 0.000 2.096 537 R HA -0.237 4.097 4.340 -0.009 0.000 0.235 537 R C 2.412 178.562 176.300 -0.249 0.000 1.127 537 R CA 1.728 57.567 56.100 -0.436 0.000 0.968 537 R CB -1.177 28.998 30.300 -0.210 0.000 0.861 537 R HN 0.696 nan 8.270 nan 0.000 0.440 538 W N 1.646 122.760 121.300 -0.311 0.000 2.355 538 W HA -0.177 4.477 4.660 -0.009 0.000 0.309 538 W C 1.295 177.722 176.519 -0.154 0.000 1.206 538 W CA 1.130 58.346 57.345 -0.215 0.000 1.284 538 W CB -0.156 29.193 29.460 -0.185 0.000 1.145 538 W HN 0.067 nan 8.180 nan 0.000 0.502 539 L N 0.716 121.723 121.223 -0.361 0.000 2.093 539 L HA -0.183 4.152 4.340 -0.009 0.000 0.208 539 L C 2.890 179.514 176.870 -0.410 0.000 1.085 539 L CA 1.218 55.782 54.840 -0.460 0.000 0.755 539 L CB -0.887 41.009 42.059 -0.271 0.000 0.904 539 L HN -0.072 nan 8.230 nan 0.000 0.435 540 R N -0.108 120.139 120.500 -0.423 0.000 2.081 540 R HA -0.196 4.138 4.340 -0.009 0.000 0.235 540 R C 2.250 178.350 176.300 -0.334 0.000 1.131 540 R CA 1.386 57.250 56.100 -0.393 0.000 0.960 540 R CB -0.606 29.374 30.300 -0.532 0.000 0.856 540 R HN 0.200 nan 8.270 nan 0.000 0.436 541 L N 0.711 121.732 121.223 -0.335 0.000 2.046 541 L HA -0.183 4.151 4.340 -0.009 0.000 0.208 541 L C 2.150 178.827 176.870 -0.323 0.000 1.077 541 L CA 1.665 56.337 54.840 -0.280 0.000 0.747 541 L CB -0.492 41.453 42.059 -0.190 0.000 0.896 541 L HN 0.174 nan 8.230 nan 0.000 0.432 542 C N -0.548 118.474 119.300 -0.462 0.000 2.453 542 C HA -0.105 4.350 4.460 -0.009 0.000 0.277 542 C C 2.685 177.525 174.990 -0.250 0.000 1.262 542 C CA 0.441 59.234 59.018 -0.376 0.000 1.718 542 C CB -0.871 26.553 27.740 -0.526 0.000 2.031 542 C HN 0.554 nan 8.230 nan 0.000 0.480 543 I N 0.866 121.270 120.570 -0.276 0.000 2.202 543 I HA -0.179 3.986 4.170 -0.009 0.000 0.242 543 I C 2.571 178.441 176.117 -0.413 0.000 1.091 543 I CA 1.597 62.737 61.300 -0.267 0.000 1.368 543 I CB -1.685 36.229 38.000 -0.143 0.000 1.058 543 I HN 0.501 nan 8.210 nan 0.000 0.410 544 Q N 0.214 119.831 119.800 -0.305 0.000 2.181 544 Q HA -0.135 4.199 4.340 -0.009 0.000 0.205 544 Q C 1.874 177.692 176.000 -0.304 0.000 0.980 544 Q CA 1.546 57.182 55.803 -0.278 0.000 0.862 544 Q CB -0.112 28.500 28.738 -0.210 0.000 0.905 544 Q HN 0.385 nan 8.270 nan 0.000 0.429 545 S N 0.287 115.810 115.700 -0.295 0.000 2.605 545 S HA 0.047 4.511 4.470 -0.009 0.000 0.217 545 S C -0.209 174.216 174.600 -0.292 0.000 0.958 545 S CA -0.054 57.994 58.200 -0.253 0.000 0.919 545 S CB 0.341 63.421 63.200 -0.199 0.000 0.780 545 S HN 0.219 nan 8.310 nan 0.000 0.507 546 K N -0.060 120.018 120.400 -0.537 0.000 3.167 546 K HA -0.157 4.158 4.320 -0.009 0.000 0.272 546 K C -0.931 175.599 176.600 -0.117 0.000 1.137 546 K CA 0.497 56.311 56.287 -0.788 0.000 0.800 546 K CB -2.056 30.194 32.500 -0.415 0.000 1.253 546 K HN 0.543 nan 8.250 nan 0.000 0.497 547 W N 2.879 124.039 121.300 -0.234 0.000 2.367 547 W HA 0.228 4.882 4.660 -0.010 0.000 0.329 547 W C 1.099 177.675 176.519 0.095 0.000 1.066 547 W CA -1.060 56.254 57.345 -0.051 0.000 1.435 547 W CB 0.034 29.420 29.460 -0.124 0.000 1.296 547 W HN 0.172 nan 8.180 nan 0.000 0.401 548 E N 1.893 122.314 120.200 0.368 0.000 2.209 548 E HA -0.253 4.092 4.350 -0.009 0.000 0.196 548 E C 1.097 177.628 176.600 -0.116 0.000 0.993 548 E CA 1.572 58.076 56.400 0.174 0.000 0.819 548 E CB 0.267 30.046 29.700 0.132 0.000 0.745 548 E HN 0.394 nan 8.360 nan 0.000 0.477 549 D N 0.428 120.570 120.400 -0.430 0.000 2.182 549 D HA -0.141 4.493 4.640 -0.009 0.000 0.201 549 D C 1.640 177.583 176.300 -0.595 0.000 0.986 549 D CA 1.238 54.843 54.000 -0.657 0.000 0.847 549 D CB -0.120 39.932 40.800 -1.246 0.000 0.942 549 D HN 0.202 nan 8.370 nan 0.000 0.467 550 A N -0.250 122.224 122.820 -0.577 0.000 2.169 550 A HA 0.058 4.372 4.320 -0.009 0.000 0.212 550 A C 2.127 179.581 177.584 -0.217 0.000 1.153 550 A CA 0.025 51.823 52.037 -0.398 0.000 0.756 550 A CB -0.396 18.383 19.000 -0.368 0.000 0.813 550 A HN 0.161 nan 8.150 nan 0.000 0.471 551 I N 0.907 121.393 120.570 -0.140 0.000 2.127 551 I HA -0.181 3.983 4.170 -0.009 0.000 0.241 551 I C -0.298 175.752 176.117 -0.111 0.000 1.075 551 I CA 1.681 62.933 61.300 -0.081 0.000 1.334 551 I CB -0.963 37.002 38.000 -0.057 0.000 1.040 551 I HN 0.239 nan 8.210 nan 0.000 0.405 552 P HA -0.128 nan 4.420 nan 0.000 0.221 552 P C 1.914 179.150 177.300 -0.108 0.000 1.150 552 P CA 1.483 64.522 63.100 -0.101 0.000 0.800 552 P CB -0.036 31.610 31.700 -0.090 0.000 0.787 553 L N -0.431 120.715 121.223 -0.129 0.000 2.027 553 L HA -0.098 4.236 4.340 -0.009 0.000 0.206 553 L C 2.782 179.578 176.870 -0.122 0.000 1.074 553 L CA 1.662 56.433 54.840 -0.114 0.000 0.745 553 L CB -1.355 40.630 42.059 -0.124 0.000 0.898 553 L HN -0.059 nan 8.230 nan 0.000 0.433 554 A N 0.162 122.893 122.820 -0.148 0.000 1.930 554 A HA -0.132 4.182 4.320 -0.009 0.000 0.217 554 A C 2.277 179.740 177.584 -0.202 0.000 1.175 554 A CA 1.267 53.207 52.037 -0.161 0.000 0.627 554 A CB -0.639 18.266 19.000 -0.158 0.000 0.815 554 A HN 0.328 nan 8.150 nan 0.000 0.443 555 L N -0.585 120.521 121.223 -0.194 0.000 2.046 555 L HA -0.209 4.125 4.340 -0.009 0.000 0.208 555 L C 2.641 179.384 176.870 -0.211 0.000 1.077 555 L CA 1.984 56.681 54.840 -0.240 0.000 0.747 555 L CB -0.376 41.593 42.059 -0.151 0.000 0.896 555 L HN 0.488 nan 8.230 nan 0.000 0.432 556 K N 0.276 120.594 120.400 -0.136 0.000 2.002 556 K HA -0.255 4.059 4.320 -0.009 0.000 0.209 556 K C 2.256 178.799 176.600 -0.095 0.000 1.048 556 K CA 1.807 58.038 56.287 -0.095 0.000 0.930 556 K CB -0.148 32.314 32.500 -0.063 0.000 0.714 556 K HN 0.132 nan 8.250 nan 0.000 0.438 557 M N 0.249 119.792 119.600 -0.095 0.000 2.159 557 M HA -0.144 4.330 4.480 -0.009 0.000 0.263 557 M C 1.981 178.237 176.300 -0.073 0.000 1.063 557 M CA 1.795 57.055 55.300 -0.067 0.000 1.110 557 M CB -0.103 32.461 32.600 -0.060 0.000 1.374 557 M HN 0.311 nan 8.290 nan 0.000 0.411 558 A N -0.460 122.257 122.820 -0.172 0.000 1.972 558 A HA -0.153 4.161 4.320 -0.009 0.000 0.219 558 A C 2.066 179.575 177.584 -0.124 0.000 1.169 558 A CA 2.139 54.033 52.037 -0.239 0.000 0.635 558 A CB -0.977 17.589 19.000 -0.723 0.000 0.810 558 A HN 0.699 nan 8.150 nan 0.000 0.446 559 T N -3.873 110.587 114.554 -0.158 0.000 3.018 559 T HA 0.156 4.500 4.350 -0.009 0.000 0.246 559 T C 1.436 176.106 174.700 -0.049 0.000 1.026 559 T CA 0.744 62.758 62.100 -0.144 0.000 1.081 559 T CB -0.070 68.544 68.868 -0.424 0.000 0.970 559 T HN 0.484 nan 8.240 nan 0.000 0.475 560 E N 1.210 121.393 120.200 -0.028 0.000 2.427 560 E HA 0.045 4.389 4.350 -0.009 0.000 0.196 560 E C 0.523 177.146 176.600 0.038 0.000 1.028 560 E CA 0.409 56.819 56.400 0.016 0.000 0.864 560 E CB 0.143 29.848 29.700 0.009 0.000 0.813 560 E HN 0.739 nan 8.360 nan 0.000 0.514 561 Q N -2.122 117.706 119.800 0.045 0.000 2.544 561 Q HA 0.547 4.882 4.340 -0.009 0.000 0.291 561 Q C 0.184 176.226 176.000 0.070 0.000 1.068 561 Q CA -0.838 55.007 55.803 0.069 0.000 0.785 561 Q CB 1.182 29.977 28.738 0.095 0.000 1.481 561 Q HN -0.060 nan 8.270 nan 0.000 0.430 562 G N -0.248 108.584 108.800 0.052 0.000 3.979 562 G HA2 0.114 4.069 3.960 -0.009 0.000 0.287 562 G HA3 0.114 4.069 3.960 -0.009 0.000 0.287 562 G C -0.528 174.314 174.900 -0.097 0.000 1.011 562 G CA -0.559 44.553 45.100 0.020 0.000 0.818 562 G HN 0.434 nan 8.290 nan 0.000 0.470 563 R N 1.015 121.446 120.500 -0.115 0.000 2.446 563 R HA 0.187 4.521 4.340 -0.009 0.000 0.314 563 R C 1.549 177.647 176.300 -0.337 0.000 1.003 563 R CA -0.220 55.701 56.100 -0.298 0.000 1.018 563 R CB 0.215 30.288 30.300 -0.379 0.000 0.945 563 R HN 0.165 nan 8.270 nan 0.000 0.419 564 M N 3.504 122.858 119.600 -0.409 0.000 2.149 564 M HA -0.241 4.233 4.480 -0.009 0.000 0.261 564 M C 2.019 178.165 176.300 -0.257 0.000 1.064 564 M CA 1.728 56.847 55.300 -0.301 0.000 1.102 564 M CB -0.280 32.095 32.600 -0.376 0.000 1.369 564 M HN 0.627 nan 8.290 nan 0.000 0.408 565 K N 0.222 120.383 120.400 -0.398 0.000 2.127 565 K HA -0.207 4.107 4.320 -0.009 0.000 0.208 565 K C 1.366 177.639 176.600 -0.544 0.000 1.047 565 K CA 1.694 57.688 56.287 -0.488 0.000 0.927 565 K CB 0.064 32.107 32.500 -0.762 0.000 0.716 565 K HN 0.182 nan 8.250 nan 0.000 0.450 566 F N -0.619 119.038 119.950 -0.489 0.000 2.419 566 F HA 0.102 4.623 4.527 -0.009 0.000 0.283 566 F C 2.483 178.225 175.800 -0.097 0.000 1.044 566 F CA 0.505 58.162 58.000 -0.572 0.000 1.376 566 F CB -0.957 37.786 39.000 -0.429 0.000 1.131 566 F HN -0.115 nan 8.300 nan 0.000 0.585 567 T N 0.776 115.401 114.554 0.119 0.000 2.746 567 T HA -0.144 4.200 4.350 -0.009 0.000 0.267 567 T C 2.156 177.007 174.700 0.252 0.000 1.039 567 T CA 1.460 63.664 62.100 0.173 0.000 1.142 567 T CB -0.175 68.790 68.868 0.162 0.000 0.866 567 T HN 0.114 nan 8.240 nan 0.000 0.444 568 R N 0.657 121.244 120.500 0.144 0.000 2.062 568 R HA -0.047 4.287 4.340 -0.009 0.000 0.231 568 R C -0.498 175.899 176.300 0.161 0.000 1.136 568 R CA 1.453 57.630 56.100 0.130 0.000 0.948 568 R CB -1.255 29.064 30.300 0.031 0.000 0.845 568 R HN 0.349 nan 8.270 nan 0.000 0.430 569 P HA -0.068 nan 4.420 nan 0.000 0.220 569 P C 1.106 178.508 177.300 0.170 0.000 1.152 569 P CA 1.006 64.222 63.100 0.193 0.000 0.812 569 P CB 0.060 31.959 31.700 0.331 0.000 0.792 570 L N -2.447 118.905 121.223 0.215 0.000 2.017 570 L HA -0.165 4.170 4.340 -0.009 0.000 0.208 570 L C 2.290 179.154 176.870 -0.009 0.000 1.073 570 L CA 1.465 56.341 54.840 0.061 0.000 0.745 570 L CB -0.886 41.188 42.059 0.024 0.000 0.894 570 L HN -0.084 nan 8.230 nan 0.000 0.432 571 F N 0.588 120.554 119.950 0.026 0.000 2.095 571 F HA -0.230 4.291 4.527 -0.009 0.000 0.298 571 F C 2.586 178.373 175.800 -0.022 0.000 1.104 571 F CA 1.493 59.486 58.000 -0.012 0.000 1.232 571 F CB -0.365 38.611 39.000 -0.040 0.000 0.987 571 F HN -0.074 nan 8.300 nan 0.000 0.475 572 K N -0.165 120.341 120.400 0.177 0.000 2.057 572 K HA -0.187 4.128 4.320 -0.009 0.000 0.207 572 K C 1.709 178.354 176.600 0.075 0.000 1.049 572 K CA 1.712 58.054 56.287 0.092 0.000 0.931 572 K CB -0.389 32.142 32.500 0.051 0.000 0.714 572 K HN 0.179 nan 8.250 nan 0.000 0.440 573 D N 1.048 121.479 120.400 0.052 0.000 2.097 573 D HA -0.125 4.509 4.640 -0.009 0.000 0.195 573 D C 1.933 178.280 176.300 0.078 0.000 0.989 573 D CA 0.952 54.966 54.000 0.023 0.000 0.827 573 D CB -0.225 40.550 40.800 -0.040 0.000 0.966 573 D HN 0.079 nan 8.370 nan 0.000 0.456 574 L N 0.367 121.634 121.223 0.073 0.000 2.083 574 L HA -0.140 4.194 4.340 -0.009 0.000 0.209 574 L C 2.389 179.337 176.870 0.131 0.000 1.083 574 L CA 1.114 56.013 54.840 0.098 0.000 0.752 574 L CB -0.329 41.736 42.059 0.010 0.000 0.899 574 L HN -0.006 nan 8.230 nan 0.000 0.433 575 A N -0.266 122.629 122.820 0.125 0.000 1.968 575 A HA -0.020 4.294 4.320 -0.009 0.000 0.217 575 A C 2.423 180.173 177.584 0.277 0.000 1.169 575 A CA 1.344 53.468 52.037 0.146 0.000 0.638 575 A CB -0.503 18.552 19.000 0.092 0.000 0.812 575 A HN 0.367 nan 8.150 nan 0.000 0.446 576 A N -1.629 121.305 122.820 0.190 0.000 2.167 576 A HA 0.257 4.571 4.320 -0.009 0.000 0.214 576 A C 0.620 178.337 177.584 0.221 0.000 1.151 576 A CA 0.181 52.315 52.037 0.162 0.000 0.735 576 A CB -0.311 18.740 19.000 0.086 0.000 0.802 576 A HN 0.439 nan 8.150 nan 0.000 0.467 577 F N 2.305 122.285 119.950 0.051 0.000 2.404 577 F HA 0.321 4.841 4.527 -0.010 0.000 0.358 577 F C 0.889 176.726 175.800 0.062 0.000 1.120 577 F CA -1.967 56.052 58.000 0.032 0.000 1.144 577 F CB 0.711 39.715 39.000 0.006 0.000 1.133 577 F HN 0.320 nan 8.300 nan 0.000 0.495 578 D N 3.918 124.441 120.400 0.205 0.000 2.149 578 D HA -0.237 4.397 4.640 -0.009 0.000 0.198 578 D C 1.273 177.449 176.300 -0.206 0.000 0.990 578 D CA 1.452 55.449 54.000 -0.003 0.000 0.839 578 D CB -0.147 40.665 40.800 0.019 0.000 0.948 578 D HN 0.347 nan 8.370 nan 0.000 0.460 579 K N 0.205 120.227 120.400 -0.630 0.000 2.211 579 K HA 0.007 4.321 4.320 -0.009 0.000 0.203 579 K C 2.024 178.328 176.600 -0.493 0.000 1.050 579 K CA 1.272 57.164 56.287 -0.658 0.000 0.945 579 K CB -0.300 31.637 32.500 -0.938 0.000 0.732 579 K HN 0.473 nan 8.250 nan 0.000 0.451 580 S N -0.726 114.679 115.700 -0.492 0.000 2.559 580 S HA 0.036 4.501 4.470 -0.009 0.000 0.226 580 S C 1.633 176.204 174.600 -0.050 0.000 1.000 580 S CA -0.412 57.666 58.200 -0.204 0.000 0.948 580 S CB -0.208 62.914 63.200 -0.129 0.000 0.870 580 S HN 0.273 nan 8.310 nan 0.000 0.497 581 H N 2.619 121.639 119.070 -0.083 0.000 2.289 581 H HA -0.145 4.405 4.556 -0.010 0.000 0.296 581 H C 0.944 176.281 175.328 0.015 0.000 1.091 581 H CA 2.422 58.467 56.048 -0.005 0.000 1.274 581 H CB -0.343 29.417 29.762 -0.003 0.000 1.364 581 H HN 0.338 nan 8.280 nan 0.000 0.490 582 D N 0.312 120.755 120.400 0.073 0.000 2.117 582 D HA -0.136 4.498 4.640 -0.009 0.000 0.198 582 D C 2.383 178.676 176.300 -0.012 0.000 0.982 582 D CA 0.813 54.839 54.000 0.043 0.000 0.828 582 D CB -0.434 40.414 40.800 0.081 0.000 0.967 582 D HN 0.502 nan 8.370 nan 0.000 0.464 583 Q N 0.086 119.881 119.800 -0.010 0.000 2.124 583 Q HA -0.115 4.220 4.340 -0.009 0.000 0.202 583 Q C 2.050 178.076 176.000 0.044 0.000 0.977 583 Q CA 1.314 57.122 55.803 0.008 0.000 0.850 583 Q CB -0.019 28.713 28.738 -0.011 0.000 0.901 583 Q HN 0.208 nan 8.270 nan 0.000 0.429 584 A N -0.107 122.728 122.820 0.026 0.000 1.873 584 A HA -0.192 4.123 4.320 -0.009 0.000 0.218 584 A C 2.198 179.893 177.584 0.185 0.000 1.193 584 A CA 1.815 53.933 52.037 0.134 0.000 0.629 584 A CB -0.936 18.114 19.000 0.082 0.000 0.826 584 A HN 0.301 nan 8.150 nan 0.000 0.447 585 V N -0.079 119.830 119.914 -0.009 0.000 2.295 585 V HA -0.267 3.848 4.120 -0.009 0.000 0.246 585 V C 2.657 178.811 176.094 0.101 0.000 1.049 585 V CA 2.248 64.551 62.300 0.005 0.000 1.024 585 V CB -0.838 30.918 31.823 -0.112 0.000 0.648 585 V HN 0.512 nan 8.190 nan 0.000 0.447 586 R N -0.312 120.232 120.500 0.074 0.000 2.096 586 R HA -0.141 4.194 4.340 -0.009 0.000 0.235 586 R C 2.394 178.769 176.300 0.124 0.000 1.127 586 R CA 1.934 58.080 56.100 0.077 0.000 0.968 586 R CB -0.681 29.651 30.300 0.053 0.000 0.861 586 R HN 0.531 nan 8.270 nan 0.000 0.440 587 T N 0.388 115.060 114.554 0.197 0.000 2.737 587 T HA -0.196 4.148 4.350 -0.009 0.000 0.265 587 T C 1.475 176.398 174.700 0.371 0.000 1.038 587 T CA 1.404 63.687 62.100 0.306 0.000 1.144 587 T CB -0.469 68.580 68.868 0.301 0.000 0.866 587 T HN 0.316 nan 8.240 nan 0.000 0.434 588 Y N 2.067 122.471 120.300 0.173 0.000 2.128 588 Y HA -0.229 4.316 4.550 -0.009 0.000 0.284 588 Y C 2.519 178.419 175.900 -0.000 0.000 1.154 588 Y CA 1.497 59.549 58.100 -0.079 0.000 1.149 588 Y CB -0.602 37.615 38.460 -0.405 0.000 0.976 588 Y HN 0.233 nan 8.280 nan 0.000 0.505 589 Q N -0.022 119.690 119.800 -0.145 0.000 2.096 589 Q HA -0.238 4.096 4.340 -0.009 0.000 0.204 589 Q C 2.119 178.006 176.000 -0.188 0.000 0.982 589 Q CA 2.164 57.833 55.803 -0.223 0.000 0.850 589 Q CB -0.199 28.509 28.738 -0.051 0.000 0.901 589 Q HN 0.661 nan 8.270 nan 0.000 0.422 590 E N -0.790 119.367 120.200 -0.072 0.000 2.208 590 E HA -0.146 4.199 4.350 -0.009 0.000 0.193 590 E C 1.391 177.880 176.600 -0.184 0.000 0.988 590 E CA 0.794 57.133 56.400 -0.103 0.000 0.828 590 E CB 0.089 29.748 29.700 -0.069 0.000 0.763 590 E HN 0.470 nan 8.360 nan 0.000 0.478 591 H N -0.067 118.944 119.070 -0.098 0.000 2.595 591 H HA 0.081 4.631 4.556 -0.010 0.000 0.265 591 H C 1.789 177.041 175.328 -0.127 0.000 0.953 591 H CA 0.622 56.635 56.048 -0.058 0.000 1.197 591 H CB 0.350 30.137 29.762 0.042 0.000 1.438 591 H HN -0.030 nan 8.280 nan 0.000 0.531 592 K N 1.096 121.373 120.400 -0.205 0.000 2.074 592 K HA -0.159 4.155 4.320 -0.009 0.000 0.209 592 K C 2.100 178.614 176.600 -0.143 0.000 1.048 592 K CA 1.445 57.532 56.287 -0.333 0.000 0.926 592 K CB -0.148 31.930 32.500 -0.703 0.000 0.713 592 K HN 0.245 nan 8.250 nan 0.000 0.444 593 A N 0.586 123.336 122.820 -0.116 0.000 2.067 593 A HA -0.070 4.245 4.320 -0.009 0.000 0.219 593 A C 1.850 179.419 177.584 -0.025 0.000 1.158 593 A CA 1.550 53.547 52.037 -0.067 0.000 0.661 593 A CB -0.312 18.647 19.000 -0.068 0.000 0.801 593 A HN 0.540 nan 8.150 nan 0.000 0.452 594 S N -1.712 113.986 115.700 -0.004 0.000 2.568 594 S HA 0.475 4.940 4.470 -0.009 0.000 0.232 594 S C 0.481 175.129 174.600 0.080 0.000 0.975 594 S CA -0.428 57.796 58.200 0.040 0.000 0.949 594 S CB -0.285 62.939 63.200 0.039 0.000 0.829 594 S HN 0.414 nan 8.310 nan 0.000 0.479 595 M N 1.909 121.551 119.600 0.069 0.000 2.267 595 M HA 0.292 4.767 4.480 -0.009 0.000 0.303 595 M C 0.623 176.976 176.300 0.087 0.000 1.164 595 M CA -0.604 54.759 55.300 0.106 0.000 1.060 595 M CB 0.454 33.118 32.600 0.106 0.000 1.455 595 M HN 0.276 nan 8.290 nan 0.000 0.483 596 H N 3.359 122.449 119.070 0.034 0.000 2.928 596 H HA 0.043 4.593 4.556 -0.010 0.000 0.338 596 H C -1.834 173.474 175.328 -0.033 0.000 1.047 596 H CA -0.733 55.308 56.048 -0.011 0.000 1.435 596 H CB 0.921 30.678 29.762 -0.008 0.000 1.428 596 H HN 0.348 nan 8.280 nan 0.000 0.590 597 P HA -0.159 nan 4.420 nan 0.000 0.218 597 P C 1.577 178.862 177.300 -0.025 0.000 1.148 597 P CA 0.749 63.751 63.100 -0.163 0.000 0.822 597 P CB 0.406 31.966 31.700 -0.234 0.000 0.784 598 V N 0.348 120.311 119.914 0.082 0.000 2.323 598 V HA -0.163 3.951 4.120 -0.009 0.000 0.244 598 V C 2.650 178.782 176.094 0.062 0.000 1.041 598 V CA 2.505 64.859 62.300 0.090 0.000 1.025 598 V CB -1.909 29.952 31.823 0.064 0.000 0.656 598 V HN 0.157 nan 8.190 nan 0.000 0.451 599 T N 0.775 115.389 114.554 0.101 0.000 2.684 599 T HA -0.198 4.147 4.350 -0.009 0.000 0.267 599 T C 2.090 176.822 174.700 0.053 0.000 1.036 599 T CA 1.714 63.820 62.100 0.010 0.000 1.148 599 T CB -0.502 68.367 68.868 0.000 0.000 0.863 599 T HN 0.553 nan 8.240 nan 0.000 0.436 600 A N 2.093 124.975 122.820 0.103 0.000 1.908 600 A HA -0.097 4.217 4.320 -0.009 0.000 0.218 600 A C 2.313 179.991 177.584 0.157 0.000 1.181 600 A CA 1.781 53.919 52.037 0.169 0.000 0.627 600 A CB -0.720 18.336 19.000 0.093 0.000 0.818 600 A HN 0.399 nan 8.150 nan 0.000 0.445 601 M N -0.262 119.384 119.600 0.078 0.000 2.086 601 M HA -0.090 4.384 4.480 -0.009 0.000 0.261 601 M C 2.004 178.305 176.300 0.002 0.000 1.067 601 M CA 1.815 57.147 55.300 0.052 0.000 1.116 601 M CB -0.822 31.805 32.600 0.044 0.000 1.348 601 M HN 0.421 nan 8.290 nan 0.000 0.407 602 L N -0.690 120.521 121.223 -0.020 0.000 2.072 602 L HA -0.158 4.176 4.340 -0.009 0.000 0.205 602 L C 2.441 179.237 176.870 -0.123 0.000 1.079 602 L CA 0.589 55.398 54.840 -0.051 0.000 0.752 602 L CB -0.736 41.299 42.059 -0.040 0.000 0.906 602 L HN 0.082 nan 8.230 nan 0.000 0.436 603 V N 0.297 120.098 119.914 -0.189 0.000 2.295 603 V HA -0.224 3.891 4.120 -0.009 0.000 0.246 603 V C 2.662 178.347 176.094 -0.681 0.000 1.049 603 V CA 2.023 64.074 62.300 -0.416 0.000 1.024 603 V CB -1.365 30.142 31.823 -0.527 0.000 0.648 603 V HN 0.572 nan 8.190 nan 0.000 0.447 604 G N -0.066 108.326 108.800 -0.681 0.000 2.529 604 G HA2 -0.315 3.640 3.960 -0.009 0.000 0.219 604 G HA3 -0.315 3.640 3.960 -0.009 0.000 0.219 604 G C 1.653 176.406 174.900 -0.245 0.000 1.177 604 G CA 1.251 46.058 45.100 -0.488 0.000 0.773 604 G HN 0.483 nan 8.290 nan 0.000 0.573 605 K N 0.153 120.471 120.400 -0.137 0.000 2.026 605 K HA -0.090 4.224 4.320 -0.009 0.000 0.208 605 K C 2.249 178.798 176.600 -0.084 0.000 1.048 605 K CA 1.343 57.588 56.287 -0.071 0.000 0.929 605 K CB -0.215 32.271 32.500 -0.024 0.000 0.713 605 K HN 0.143 nan 8.250 nan 0.000 0.439 606 D N 0.745 121.073 120.400 -0.119 0.000 2.133 606 D HA -0.154 4.480 4.640 -0.009 0.000 0.195 606 D C 1.578 177.817 176.300 -0.102 0.000 0.997 606 D CA 1.134 55.077 54.000 -0.096 0.000 0.840 606 D CB -0.029 40.708 40.800 -0.106 0.000 0.947 606 D HN 0.016 nan 8.370 nan 0.000 0.452 607 L N 0.151 121.259 121.223 -0.191 0.000 2.558 607 L HA 0.095 4.430 4.340 -0.009 0.000 0.225 607 L C 0.573 177.397 176.870 -0.076 0.000 1.128 607 L CA 0.446 55.190 54.840 -0.160 0.000 0.868 607 L CB -0.461 41.408 42.059 -0.316 0.000 1.006 607 L HN -0.001 nan 8.230 nan 0.000 0.454 608 K N -0.666 119.694 120.400 -0.067 0.000 3.096 608 K HA -0.165 4.150 4.320 -0.009 0.000 0.266 608 K C -0.003 176.596 176.600 -0.002 0.000 1.043 608 K CA 0.731 57.008 56.287 -0.017 0.000 0.758 608 K CB -1.975 30.534 32.500 0.016 0.000 1.260 608 K HN 0.309 nan 8.250 nan 0.000 0.481 609 V N 0.000 119.900 119.914 -0.023 0.000 2.409 609 V HA 0.000 4.114 4.120 -0.009 0.000 0.244 609 V CA 0.000 62.322 62.300 0.036 0.000 1.235 609 V CB 0.000 31.871 31.823 0.079 0.000 1.184 609 V HN 0.000 nan 8.190 nan 0.000 0.556