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 1a4y_1_A DATA FIRST_RESID 1 DATA SEQUENCE SLDIQSLDIQ CEELSDARWA ELLPLLQQCQ VVRLDDCGLT EARCKDISSA DATA SEQUENCE LRVNPALAEL NLRSNELGDV GVHCVLQGLQ TPSCKIQKLS LQNCCLTGAG DATA SEQUENCE CGVLSSTLRT LPTLQELHLS DNLLGDAGLQ LLCEGLLDPQ CRLEKLQLEY DATA SEQUENCE CSLSAASCEP LASVLRAKPD FKELTVSNND INEAGVRVLC QGLKDSPCQL DATA SEQUENCE EALKLESCGV TSDNCRDLCG IVASKASLRE LALGSNKLGD VGMAELCPGL DATA SEQUENCE LHPSSRLRTL WIWECGITAK GCGDLCRVLR AKESLKELSL AGNELGDEGA DATA SEQUENCE RLLCETLLEP GCQLESLWVK SCSFTAACCS HFSSVLAQNR FLLELQISNN DATA SEQUENCE RLEDAGVREL CQGLGQPGSV LRVLWLADCD VSDSSCSSLA ATLLANHSLR DATA SEQUENCE ELDLSNNCLG DAGILQLVES VRQPGCLLEQ LVLYDIYWSE EMEDRLQALE DATA SEQUENCE KDKPSLRVIS 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.598 174.600 -0.003 0.000 1.055 1 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 1 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 2 L N 2.303 123.524 121.223 -0.003 0.000 2.341 2 L HA 0.692 5.030 4.340 -0.005 0.000 0.267 2 L C -1.577 175.291 176.870 -0.005 0.000 1.009 2 L CA -0.498 54.340 54.840 -0.004 0.000 0.819 2 L CB 1.858 43.915 42.059 -0.003 0.000 1.323 2 L HN 0.428 nan 8.230 nan 0.000 0.425 3 D N 3.028 123.425 120.400 -0.005 0.000 2.584 3 D HA 0.328 4.965 4.640 -0.005 0.000 0.238 3 D C -1.149 175.146 176.300 -0.007 0.000 1.302 3 D CA -0.140 53.856 54.000 -0.007 0.000 0.884 3 D CB 0.754 41.549 40.800 -0.008 0.000 1.456 3 D HN 0.262 nan 8.370 nan 0.000 0.528 4 I N 2.168 122.734 120.570 -0.006 0.000 2.339 4 I HA 0.331 4.498 4.170 -0.005 0.000 0.290 4 I C 0.198 176.311 176.117 -0.007 0.000 0.994 4 I CA -0.389 60.907 61.300 -0.006 0.000 1.191 4 I CB 1.663 39.661 38.000 -0.004 0.000 1.343 4 I HN 0.037 nan 8.210 nan 0.000 0.458 5 Q N 3.841 123.636 119.800 -0.009 0.000 2.375 5 Q HA 0.600 4.937 4.340 -0.005 0.000 0.271 5 Q C -1.028 174.966 176.000 -0.009 0.000 1.074 5 Q CA -0.636 55.162 55.803 -0.010 0.000 0.808 5 Q CB 2.727 31.457 28.738 -0.014 0.000 1.327 5 Q HN 0.652 nan 8.270 nan 0.000 0.441 6 S N 2.124 117.821 115.700 -0.006 0.000 2.538 6 S HA 0.730 5.197 4.470 -0.005 0.000 0.288 6 S C -1.877 172.722 174.600 -0.003 0.000 1.108 6 S CA -0.631 57.568 58.200 -0.003 0.000 0.971 6 S CB 1.042 64.243 63.200 0.002 0.000 1.041 6 S HN 0.484 nan 8.310 nan 0.000 0.483 7 L N 3.844 125.066 121.223 -0.001 0.000 2.356 7 L HA 0.800 5.137 4.340 -0.005 0.000 0.277 7 L C -1.552 175.325 176.870 0.013 0.000 0.996 7 L CA -0.022 54.818 54.840 0.001 0.000 0.822 7 L CB 1.878 43.931 42.059 -0.009 0.000 1.256 7 L HN 0.772 nan 8.230 nan 0.000 0.413 8 D N 5.360 125.771 120.400 0.018 0.000 2.336 8 D HA 0.378 5.015 4.640 -0.005 0.000 0.248 8 D C -1.353 174.966 176.300 0.031 0.000 1.326 8 D CA -0.044 53.971 54.000 0.026 0.000 0.973 8 D CB 0.639 41.453 40.800 0.024 0.000 1.255 8 D HN 0.466 nan 8.370 nan 0.000 0.558 9 I N 2.496 123.090 120.570 0.040 0.000 2.377 9 I HA 0.409 4.576 4.170 -0.005 0.000 0.293 9 I C -0.123 176.021 176.117 0.046 0.000 0.987 9 I CA -0.718 60.610 61.300 0.046 0.000 1.185 9 I CB 1.973 40.010 38.000 0.062 0.000 1.341 9 I HN 0.268 nan 8.210 nan 0.000 0.455 10 Q N 4.332 124.156 119.800 0.039 0.000 2.331 10 Q HA 0.340 4.677 4.340 -0.005 0.000 0.272 10 Q C -0.704 175.314 176.000 0.030 0.000 1.062 10 Q CA -0.548 55.276 55.803 0.034 0.000 0.806 10 Q CB 2.039 30.796 28.738 0.031 0.000 1.312 10 Q HN 0.904 nan 8.270 nan 0.000 0.431 11 C N 3.156 122.471 119.300 0.025 0.000 3.563 11 C HA -0.180 4.277 4.460 -0.005 0.000 0.284 11 C C -0.153 174.849 174.990 0.020 0.000 1.356 11 C CA 1.542 60.571 59.018 0.018 0.000 2.166 11 C CB -2.358 25.390 27.740 0.014 0.000 1.399 11 C HN 0.778 nan 8.230 nan 0.000 0.583 12 E N -0.158 120.057 120.200 0.024 0.000 2.406 12 E HA 0.367 4.714 4.350 -0.005 0.000 0.297 12 E C -0.444 176.175 176.600 0.031 0.000 0.917 12 E CA -0.521 55.895 56.400 0.026 0.000 0.795 12 E CB 1.099 30.818 29.700 0.032 0.000 1.285 12 E HN 0.663 nan 8.360 nan 0.000 0.400 13 E N 5.169 125.381 120.200 0.021 0.000 2.289 13 E HA 0.190 4.537 4.350 -0.005 0.000 0.278 13 E C 0.742 177.365 176.600 0.038 0.000 1.032 13 E CA -0.604 55.806 56.400 0.016 0.000 0.854 13 E CB 1.498 31.194 29.700 -0.007 0.000 1.046 13 E HN 0.547 nan 8.360 nan 0.000 0.409 14 L N 2.528 123.790 121.223 0.066 0.000 1.973 14 L HA -0.125 4.213 4.340 -0.005 0.000 0.208 14 L C 0.727 177.657 176.870 0.100 0.000 1.073 14 L CA 1.190 56.101 54.840 0.118 0.000 0.746 14 L CB -0.912 41.297 42.059 0.251 0.000 0.891 14 L HN 0.984 nan 8.230 nan 0.000 0.433 15 S N -0.971 114.776 115.700 0.079 0.000 2.861 15 S HA -0.125 4.342 4.470 -0.005 0.000 0.857 15 S C 0.255 174.932 174.600 0.129 0.000 0.892 15 S CA -0.015 58.223 58.200 0.063 0.000 1.460 15 S CB -1.017 62.215 63.200 0.054 0.000 1.047 15 S HN 0.428 nan 8.310 nan 0.000 0.227 16 D N 2.608 123.069 120.400 0.102 0.000 2.254 16 D HA -0.154 4.483 4.640 -0.005 0.000 0.201 16 D C 2.109 178.514 176.300 0.175 0.000 0.998 16 D CA 2.126 56.225 54.000 0.165 0.000 0.885 16 D CB -0.773 40.084 40.800 0.094 0.000 0.915 16 D HN 0.943 nan 8.370 nan 0.000 0.460 17 A N 0.453 123.343 122.820 0.116 0.000 1.874 17 A HA -0.082 4.235 4.320 -0.005 0.000 0.214 17 A C 2.222 179.859 177.584 0.088 0.000 1.189 17 A CA 1.136 53.223 52.037 0.084 0.000 0.615 17 A CB -0.203 18.831 19.000 0.056 0.000 0.830 17 A HN 0.008 nan 8.150 nan 0.000 0.443 18 R N -0.755 119.810 120.500 0.108 0.000 2.075 18 R HA -0.114 4.223 4.340 -0.005 0.000 0.232 18 R C 1.978 178.354 176.300 0.127 0.000 1.126 18 R CA 1.390 57.549 56.100 0.098 0.000 0.963 18 R CB -0.821 29.541 30.300 0.104 0.000 0.858 18 R HN 0.783 nan 8.270 nan 0.000 0.435 19 W N 0.682 121.984 121.300 0.003 0.000 2.350 19 W HA -0.190 4.471 4.660 0.001 0.000 0.289 19 W C 1.414 177.935 176.519 0.002 0.000 1.215 19 W CA 1.628 58.975 57.345 0.002 0.000 1.236 19 W CB -0.117 29.345 29.460 0.003 0.000 1.130 19 W HN 0.241 nan 8.180 nan 0.000 0.541 20 A N 1.074 123.900 122.820 0.009 0.000 1.898 20 A HA -0.241 4.076 4.320 -0.005 0.000 0.216 20 A C 1.808 179.309 177.584 -0.139 0.000 1.181 20 A CA 1.874 53.864 52.037 -0.078 0.000 0.620 20 A CB -0.874 18.137 19.000 0.018 0.000 0.819 20 A HN 0.511 nan 8.150 nan 0.000 0.442 21 E N -0.109 120.037 120.200 -0.090 0.000 2.106 21 E HA -0.084 4.263 4.350 -0.005 0.000 0.192 21 E C 2.220 178.734 176.600 -0.143 0.000 0.984 21 E CA 1.231 57.578 56.400 -0.089 0.000 0.806 21 E CB -0.673 29.000 29.700 -0.045 0.000 0.750 21 E HN 0.530 nan 8.360 nan 0.000 0.458 22 L N 1.356 122.459 121.223 -0.199 0.000 2.141 22 L HA -0.009 4.328 4.340 -0.005 0.000 0.209 22 L C 2.500 179.155 176.870 -0.358 0.000 1.094 22 L CA 1.443 56.133 54.840 -0.250 0.000 0.763 22 L CB -1.553 40.360 42.059 -0.244 0.000 0.908 22 L HN 0.137 nan 8.230 nan 0.000 0.437 23 L N -0.106 120.816 121.223 -0.501 0.000 2.021 23 L HA -0.184 4.153 4.340 -0.005 0.000 0.215 23 L C 0.490 177.211 176.870 -0.248 0.000 1.074 23 L CA 1.981 56.544 54.840 -0.463 0.000 0.760 23 L CB -1.397 40.399 42.059 -0.438 0.000 0.889 23 L HN 0.405 nan 8.230 nan 0.000 0.433 24 P HA -0.133 nan 4.420 nan 0.000 0.223 24 P C 1.695 178.935 177.300 -0.099 0.000 1.151 24 P CA 1.092 64.123 63.100 -0.114 0.000 0.787 24 P CB 0.123 31.770 31.700 -0.088 0.000 0.788 25 L N -0.714 120.440 121.223 -0.114 0.000 2.109 25 L HA -0.060 4.277 4.340 -0.005 0.000 0.207 25 L C 2.676 179.497 176.870 -0.082 0.000 1.086 25 L CA 1.298 56.087 54.840 -0.086 0.000 0.760 25 L CB -1.342 40.666 42.059 -0.085 0.000 0.910 25 L HN -0.154 nan 8.230 nan 0.000 0.437 26 L N -0.521 120.635 121.223 -0.113 0.000 2.263 26 L HA -0.255 4.082 4.340 -0.005 0.000 0.216 26 L C 2.320 179.153 176.870 -0.063 0.000 1.111 26 L CA 1.113 55.898 54.840 -0.091 0.000 0.773 26 L CB -0.626 41.356 42.059 -0.127 0.000 0.906 26 L HN 0.498 nan 8.230 nan 0.000 0.439 27 Q N -0.150 119.611 119.800 -0.065 0.000 2.389 27 Q HA -0.129 4.208 4.340 -0.005 0.000 0.204 27 Q C 1.420 177.399 176.000 -0.036 0.000 0.944 27 Q CA 0.736 56.512 55.803 -0.046 0.000 0.908 27 Q CB 0.110 28.820 28.738 -0.046 0.000 1.002 27 Q HN 0.714 nan 8.270 nan 0.000 0.493 28 Q N -0.880 118.897 119.800 -0.038 0.000 2.185 28 Q HA 0.229 4.566 4.340 -0.005 0.000 0.234 28 Q C 0.343 176.328 176.000 -0.025 0.000 0.819 28 Q CA -0.193 55.593 55.803 -0.029 0.000 0.961 28 Q CB 0.580 29.301 28.738 -0.029 0.000 1.140 28 Q HN 0.067 nan 8.270 nan 0.000 0.492 29 C N 2.118 121.402 119.300 -0.027 0.000 2.605 29 C HA 0.417 4.874 4.460 -0.005 0.000 0.404 29 C C 1.758 176.738 174.990 -0.016 0.000 1.284 29 C CA 0.438 59.444 59.018 -0.020 0.000 2.199 29 C CB 0.951 28.678 27.740 -0.021 0.000 2.647 29 C HN 0.676 nan 8.230 nan 0.000 0.604 30 Q N 1.289 121.081 119.800 -0.012 0.000 2.354 30 Q HA 0.252 4.589 4.340 -0.005 0.000 0.203 30 Q C 0.407 176.401 176.000 -0.009 0.000 0.933 30 Q CA 1.087 56.883 55.803 -0.011 0.000 0.901 30 Q CB 0.013 28.746 28.738 -0.009 0.000 1.007 30 Q HN 0.713 nan 8.270 nan 0.000 0.495 31 V N 0.715 120.625 119.914 -0.007 0.000 2.483 31 V HA 0.594 4.711 4.120 -0.005 0.000 0.297 31 V C -1.096 174.997 176.094 -0.001 0.000 1.027 31 V CA -0.837 61.461 62.300 -0.004 0.000 0.855 31 V CB 1.961 33.784 31.823 -0.001 0.000 0.995 31 V HN 0.240 nan 8.190 nan 0.000 0.424 32 V N 5.677 125.592 119.914 0.002 0.000 2.482 32 V HA 0.577 4.694 4.120 -0.005 0.000 0.295 32 V C -0.221 175.885 176.094 0.021 0.000 1.026 32 V CA -0.661 61.644 62.300 0.009 0.000 0.856 32 V CB 1.898 33.725 31.823 0.007 0.000 1.001 32 V HN 0.845 nan 8.190 nan 0.000 0.424 33 R N 5.063 125.580 120.500 0.028 0.000 2.435 33 R HA 0.665 5.002 4.340 -0.005 0.000 0.308 33 R C -1.600 174.731 176.300 0.051 0.000 0.975 33 R CA -0.580 55.543 56.100 0.038 0.000 0.867 33 R CB 1.200 31.520 30.300 0.034 0.000 1.171 33 R HN 0.718 nan 8.270 nan 0.000 0.470 34 L N 4.386 125.648 121.223 0.064 0.000 2.445 34 L HA 0.305 4.642 4.340 -0.005 0.000 0.252 34 L C -0.700 176.208 176.870 0.063 0.000 1.105 34 L CA -0.668 54.222 54.840 0.083 0.000 0.943 34 L CB 1.277 43.413 42.059 0.129 0.000 1.277 34 L HN 0.498 nan 8.230 nan 0.000 0.465 35 D N 2.902 123.333 120.400 0.052 0.000 2.274 35 D HA 0.079 4.716 4.640 -0.005 0.000 0.239 35 D C 0.213 176.532 176.300 0.032 0.000 1.104 35 D CA 0.036 54.060 54.000 0.040 0.000 0.840 35 D CB 1.138 41.961 40.800 0.039 0.000 1.100 35 D HN 0.392 nan 8.370 nan 0.000 0.477 36 D N 2.922 123.336 120.400 0.022 0.000 2.737 36 D HA -0.206 4.431 4.640 -0.005 0.000 0.238 36 D C -0.154 176.154 176.300 0.012 0.000 1.157 36 D CA 0.323 54.330 54.000 0.011 0.000 0.694 36 D CB -1.272 39.533 40.800 0.009 0.000 1.021 36 D HN 0.367 nan 8.370 nan 0.000 0.420 37 C N 0.288 119.595 119.300 0.012 0.000 3.000 37 C HA 0.617 5.074 4.460 -0.005 0.000 0.286 37 C C 1.756 176.731 174.990 -0.024 0.000 1.343 37 C CA 0.024 59.050 59.018 0.014 0.000 1.742 37 C CB -0.373 27.398 27.740 0.051 0.000 2.200 37 C HN 0.893 nan 8.230 nan 0.000 0.621 38 G N 1.847 110.625 108.800 -0.037 0.000 2.272 38 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.280 38 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.280 38 G C -0.141 174.690 174.900 -0.115 0.000 1.067 38 G CA -0.128 44.933 45.100 -0.064 0.000 0.902 38 G HN 0.593 nan 8.290 nan 0.000 0.500 39 L N 0.861 122.017 121.223 -0.111 0.000 2.380 39 L HA 0.568 4.905 4.340 -0.005 0.000 0.273 39 L C 1.153 177.940 176.870 -0.138 0.000 1.138 39 L CA 0.179 54.913 54.840 -0.176 0.000 0.832 39 L CB 1.029 43.017 42.059 -0.119 0.000 1.124 39 L HN 0.426 nan 8.230 nan 0.000 0.454 40 T N -2.512 111.937 114.554 -0.176 0.000 2.924 40 T HA 0.171 4.518 4.350 -0.005 0.000 0.291 40 T C 0.683 175.325 174.700 -0.096 0.000 1.045 40 T CA -0.835 61.195 62.100 -0.118 0.000 1.015 40 T CB 1.944 70.740 68.868 -0.120 0.000 1.103 40 T HN 0.707 nan 8.240 nan 0.000 0.496 41 E N 0.716 120.883 120.200 -0.054 0.000 2.233 41 E HA -0.273 4.074 4.350 -0.005 0.000 0.199 41 E C 1.999 178.579 176.600 -0.033 0.000 1.004 41 E CA 1.517 57.901 56.400 -0.027 0.000 0.819 41 E CB -0.465 29.227 29.700 -0.012 0.000 0.738 41 E HN 0.750 nan 8.360 nan 0.000 0.478 42 A N 1.135 123.918 122.820 -0.062 0.000 1.873 42 A HA -0.132 4.185 4.320 -0.005 0.000 0.215 42 A C 2.153 179.696 177.584 -0.068 0.000 1.186 42 A CA 1.508 53.507 52.037 -0.062 0.000 0.616 42 A CB -0.326 18.623 19.000 -0.085 0.000 0.823 42 A HN 0.234 nan 8.150 nan 0.000 0.442 43 R N -1.281 119.123 120.500 -0.160 0.000 2.275 43 R HA 0.025 4.362 4.340 -0.005 0.000 0.199 43 R C 1.768 178.096 176.300 0.047 0.000 0.989 43 R CA 0.718 56.714 56.100 -0.173 0.000 1.016 43 R CB -0.551 29.296 30.300 -0.756 0.000 0.918 43 R HN 0.559 nan 8.270 nan 0.000 0.473 44 C N 0.945 120.252 119.300 0.011 0.000 2.419 44 C HA -0.063 4.394 4.460 -0.005 0.000 0.283 44 C C 2.124 177.161 174.990 0.078 0.000 1.373 44 C CA 0.865 59.916 59.018 0.055 0.000 1.781 44 C CB -0.550 27.206 27.740 0.026 0.000 1.886 44 C HN 0.374 nan 8.230 nan 0.000 0.520 45 K N 0.868 121.314 120.400 0.078 0.000 2.116 45 K HA -0.050 4.267 4.320 -0.005 0.000 0.203 45 K C 1.588 178.251 176.600 0.104 0.000 1.052 45 K CA 1.168 57.500 56.287 0.075 0.000 0.952 45 K CB -0.207 32.330 32.500 0.062 0.000 0.729 45 K HN 0.406 nan 8.250 nan 0.000 0.446 46 D N 0.673 121.179 120.400 0.177 0.000 2.097 46 D HA -0.126 4.511 4.640 -0.005 0.000 0.195 46 D C 1.897 178.291 176.300 0.156 0.000 0.989 46 D CA 1.067 55.191 54.000 0.207 0.000 0.827 46 D CB -0.198 40.856 40.800 0.424 0.000 0.966 46 D HN 0.122 nan 8.370 nan 0.000 0.456 47 I N 0.671 121.373 120.570 0.221 0.000 2.091 47 I HA -0.310 3.857 4.170 -0.005 0.000 0.239 47 I C 2.607 178.767 176.117 0.072 0.000 1.061 47 I CA 1.095 62.485 61.300 0.149 0.000 1.317 47 I CB -0.418 37.690 38.000 0.179 0.000 1.031 47 I HN -0.049 nan 8.210 nan 0.000 0.401 48 S N 0.229 115.966 115.700 0.062 0.000 2.368 48 S HA -0.242 4.225 4.470 -0.005 0.000 0.226 48 S C 2.226 176.837 174.600 0.018 0.000 1.044 48 S CA 2.309 60.526 58.200 0.027 0.000 1.062 48 S CB -0.228 62.982 63.200 0.017 0.000 0.931 48 S HN 0.426 nan 8.310 nan 0.000 0.440 49 S N 1.021 116.737 115.700 0.027 0.000 2.368 49 S HA 0.032 4.499 4.470 -0.005 0.000 0.224 49 S C 2.198 176.800 174.600 0.004 0.000 1.029 49 S CA 1.049 59.259 58.200 0.016 0.000 0.988 49 S CB -0.613 62.602 63.200 0.024 0.000 0.838 49 S HN 0.687 nan 8.310 nan 0.000 0.462 50 A N 1.381 124.202 122.820 0.001 0.000 1.930 50 A HA 0.082 4.399 4.320 -0.005 0.000 0.217 50 A C 2.042 179.616 177.584 -0.017 0.000 1.175 50 A CA 0.935 52.960 52.037 -0.020 0.000 0.627 50 A CB -0.638 18.334 19.000 -0.046 0.000 0.815 50 A HN 0.448 nan 8.150 nan 0.000 0.443 51 L N -1.155 120.065 121.223 -0.006 0.000 2.201 51 L HA -0.132 4.206 4.340 -0.005 0.000 0.212 51 L C 2.744 179.609 176.870 -0.009 0.000 1.105 51 L CA 0.934 55.770 54.840 -0.007 0.000 0.775 51 L CB -0.467 41.592 42.059 0.001 0.000 0.913 51 L HN 0.390 nan 8.230 nan 0.000 0.440 52 R N -0.053 120.442 120.500 -0.008 0.000 2.096 52 R HA -0.112 4.225 4.340 -0.005 0.000 0.235 52 R C 1.856 178.150 176.300 -0.010 0.000 1.127 52 R CA 1.557 57.652 56.100 -0.009 0.000 0.968 52 R CB -0.194 30.102 30.300 -0.006 0.000 0.861 52 R HN 0.372 nan 8.270 nan 0.000 0.440 53 V N -1.259 118.648 119.914 -0.011 0.000 3.514 53 V HA 0.175 4.292 4.120 -0.005 0.000 0.301 53 V C 0.083 176.168 176.094 -0.015 0.000 1.346 53 V CA -0.295 61.998 62.300 -0.013 0.000 1.156 53 V CB -0.294 31.520 31.823 -0.014 0.000 1.029 53 V HN 0.064 nan 8.190 nan 0.000 0.428 54 N N 2.968 121.659 118.700 -0.016 0.000 2.500 54 N HA 0.369 5.106 4.740 -0.005 0.000 0.236 54 N C -1.244 174.258 175.510 -0.014 0.000 1.022 54 N CA -1.872 51.168 53.050 -0.017 0.000 0.935 54 N CB 1.832 40.308 38.487 -0.018 0.000 1.147 54 N HN 0.264 nan 8.380 nan 0.000 0.512 55 P HA 0.048 nan 4.420 nan 0.000 0.231 55 P C 0.473 177.766 177.300 -0.011 0.000 1.168 55 P CA 0.489 63.582 63.100 -0.011 0.000 0.779 55 P CB 0.488 32.182 31.700 -0.010 0.000 0.844 56 A N -0.575 122.238 122.820 -0.012 0.000 2.220 56 A HA 0.158 4.475 4.320 -0.005 0.000 0.211 56 A C 0.956 178.532 177.584 -0.012 0.000 1.176 56 A CA -0.229 51.801 52.037 -0.011 0.000 0.834 56 A CB -0.851 18.142 19.000 -0.012 0.000 0.868 56 A HN 0.135 nan 8.150 nan 0.000 0.488 57 L N 0.708 121.923 121.223 -0.013 0.000 2.771 57 L HA 0.068 4.405 4.340 -0.005 0.000 0.278 57 L C 1.191 178.053 176.870 -0.014 0.000 1.175 57 L CA 0.887 55.720 54.840 -0.013 0.000 0.973 57 L CB 0.426 42.477 42.059 -0.012 0.000 1.286 57 L HN 0.287 nan 8.230 nan 0.000 0.481 58 A N 4.115 126.926 122.820 -0.014 0.000 2.192 58 A HA 0.239 4.557 4.320 -0.005 0.000 0.208 58 A C 0.623 178.194 177.584 -0.022 0.000 1.220 58 A CA 0.061 52.087 52.037 -0.017 0.000 0.900 58 A CB 0.103 19.095 19.000 -0.015 0.000 0.937 58 A HN 0.670 nan 8.150 nan 0.000 0.487 59 E N -0.222 119.966 120.200 -0.020 0.000 2.290 59 E HA 0.520 4.867 4.350 -0.005 0.000 0.274 59 E C -2.303 174.286 176.600 -0.018 0.000 0.889 59 E CA -0.629 55.756 56.400 -0.026 0.000 0.760 59 E CB 1.692 31.379 29.700 -0.022 0.000 1.206 59 E HN 0.133 nan 8.360 nan 0.000 0.419 60 L N 4.651 125.860 121.223 -0.023 0.000 2.376 60 L HA 0.550 4.888 4.340 -0.005 0.000 0.275 60 L C -1.753 175.113 176.870 -0.007 0.000 0.987 60 L CA -0.455 54.381 54.840 -0.008 0.000 0.828 60 L CB 1.594 43.650 42.059 -0.005 0.000 1.249 60 L HN 0.499 nan 8.230 nan 0.000 0.409 61 N N 5.516 124.223 118.700 0.012 0.000 2.448 61 N HA 0.402 5.139 4.740 -0.005 0.000 0.279 61 N C -0.822 174.712 175.510 0.039 0.000 1.025 61 N CA -0.299 52.766 53.050 0.024 0.000 0.898 61 N CB 1.469 39.975 38.487 0.031 0.000 1.303 61 N HN 0.780 nan 8.380 nan 0.000 0.495 62 L N 2.490 123.738 121.223 0.041 0.000 3.168 62 L HA 0.312 4.650 4.340 -0.005 0.000 0.277 62 L C 1.181 178.076 176.870 0.042 0.000 1.245 62 L CA -0.428 54.440 54.840 0.045 0.000 1.035 62 L CB 0.116 42.201 42.059 0.044 0.000 1.399 62 L HN 0.378 nan 8.230 nan 0.000 0.580 63 R N 0.873 121.402 120.500 0.047 0.000 2.644 63 R HA -0.103 4.234 4.340 -0.005 0.000 0.265 63 R C 0.465 176.783 176.300 0.030 0.000 0.985 63 R CA 1.058 57.184 56.100 0.045 0.000 1.097 63 R CB 0.383 30.717 30.300 0.056 0.000 0.931 63 R HN 0.290 nan 8.270 nan 0.000 0.419 64 S N 1.406 117.118 115.700 0.021 0.000 3.587 64 S HA -0.151 4.316 4.470 -0.005 0.000 0.337 64 S C -0.869 173.732 174.600 0.002 0.000 1.119 64 S CA 1.125 59.330 58.200 0.007 0.000 0.976 64 S CB -1.171 62.031 63.200 0.004 0.000 0.922 64 S HN 0.782 nan 8.310 nan 0.000 0.503 65 N N 1.361 120.063 118.700 0.004 0.000 2.269 65 N HA 0.202 4.939 4.740 -0.005 0.000 0.304 65 N C -0.464 175.041 175.510 -0.009 0.000 1.072 65 N CA -0.616 52.429 53.050 -0.007 0.000 0.802 65 N CB 1.168 39.652 38.487 -0.006 0.000 1.348 65 N HN 0.314 nan 8.380 nan 0.000 0.484 66 E N 2.488 122.677 120.200 -0.019 0.000 1.852 66 E HA 0.103 4.450 4.350 -0.005 0.000 0.276 66 E C 0.889 177.480 176.600 -0.015 0.000 1.163 66 E CA 0.010 56.400 56.400 -0.016 0.000 1.117 66 E CB 0.219 29.907 29.700 -0.021 0.000 1.124 66 E HN 0.431 nan 8.360 nan 0.000 0.458 67 L N 0.858 122.078 121.223 -0.004 0.000 2.127 67 L HA 0.082 4.419 4.340 -0.005 0.000 0.203 67 L C 1.283 178.158 176.870 0.009 0.000 1.080 67 L CA 0.688 55.529 54.840 0.001 0.000 0.768 67 L CB -0.677 41.390 42.059 0.013 0.000 0.924 67 L HN 0.592 nan 8.230 nan 0.000 0.444 68 G N 0.416 109.224 108.800 0.013 0.000 2.860 68 G HA2 -0.245 3.712 3.960 -0.005 0.000 0.553 68 G HA3 -0.245 3.712 3.960 -0.005 0.000 0.553 68 G C -0.040 174.877 174.900 0.028 0.000 1.439 68 G CA -0.107 45.002 45.100 0.016 0.000 0.879 68 G HN 0.183 nan 8.290 nan 0.000 0.545 69 D N -0.541 119.875 120.400 0.027 0.000 2.123 69 D HA -0.160 4.477 4.640 -0.005 0.000 0.196 69 D C 2.787 179.123 176.300 0.060 0.000 0.992 69 D CA 2.406 56.428 54.000 0.037 0.000 0.833 69 D CB -0.324 40.488 40.800 0.020 0.000 0.954 69 D HN 0.928 nan 8.370 nan 0.000 0.455 70 V N -1.244 118.698 119.914 0.046 0.000 2.407 70 V HA 0.090 4.207 4.120 -0.005 0.000 0.245 70 V C 2.350 178.503 176.094 0.099 0.000 1.041 70 V CA 1.809 64.151 62.300 0.070 0.000 1.040 70 V CB -1.252 30.590 31.823 0.031 0.000 0.671 70 V HN 0.108 nan 8.190 nan 0.000 0.455 71 G N 0.475 109.309 108.800 0.057 0.000 2.442 71 G HA2 -0.182 3.775 3.960 -0.005 0.000 0.219 71 G HA3 -0.182 3.775 3.960 -0.005 0.000 0.219 71 G C 1.553 176.483 174.900 0.050 0.000 1.141 71 G CA 1.483 46.609 45.100 0.044 0.000 0.763 71 G HN 0.465 nan 8.290 nan 0.000 0.554 72 V N 0.374 120.324 119.914 0.059 0.000 2.379 72 V HA -0.143 3.974 4.120 -0.005 0.000 0.245 72 V C 2.373 178.500 176.094 0.055 0.000 1.044 72 V CA 2.156 64.487 62.300 0.052 0.000 1.036 72 V CB -0.643 31.213 31.823 0.054 0.000 0.664 72 V HN 0.611 nan 8.190 nan 0.000 0.453 73 H N -0.473 118.606 119.070 0.014 0.000 2.352 73 H HA -0.244 4.310 4.556 -0.004 0.000 0.299 73 H C 2.362 177.699 175.328 0.015 0.000 1.097 73 H CA 2.406 58.462 56.048 0.013 0.000 1.311 73 H CB -0.632 29.137 29.762 0.011 0.000 1.377 73 H HN 0.451 nan 8.280 nan 0.000 0.504 74 C N -0.468 118.822 119.300 -0.015 0.000 2.413 74 C HA -0.128 4.330 4.460 -0.005 0.000 0.277 74 C C 2.851 177.800 174.990 -0.068 0.000 1.228 74 C CA 1.288 60.279 59.018 -0.045 0.000 1.731 74 C CB -1.240 26.523 27.740 0.037 0.000 2.042 74 C HN 0.534 nan 8.230 nan 0.000 0.468 75 V N 1.301 121.198 119.914 -0.029 0.000 2.358 75 V HA -0.185 3.932 4.120 -0.005 0.000 0.246 75 V C 2.481 178.549 176.094 -0.043 0.000 1.047 75 V CA 1.996 64.287 62.300 -0.016 0.000 1.035 75 V CB -0.814 31.015 31.823 0.011 0.000 0.658 75 V HN 0.590 nan 8.190 nan 0.000 0.452 76 L N -0.270 120.912 121.223 -0.068 0.000 2.265 76 L HA -0.210 4.127 4.340 -0.005 0.000 0.215 76 L C 2.615 179.423 176.870 -0.102 0.000 1.117 76 L CA 1.443 56.239 54.840 -0.073 0.000 0.782 76 L CB -0.552 41.468 42.059 -0.065 0.000 0.914 76 L HN 0.439 nan 8.230 nan 0.000 0.441 77 Q N -0.077 119.625 119.800 -0.162 0.000 2.297 77 Q HA -0.110 4.227 4.340 -0.005 0.000 0.204 77 Q C 1.968 177.925 176.000 -0.072 0.000 0.962 77 Q CA 1.129 56.845 55.803 -0.145 0.000 0.879 77 Q CB 0.057 28.676 28.738 -0.198 0.000 0.947 77 Q HN 0.559 nan 8.270 nan 0.000 0.462 78 G N -0.299 108.469 108.800 -0.053 0.000 2.813 78 G HA2 -0.021 3.936 3.960 -0.005 0.000 0.209 78 G HA3 -0.021 3.936 3.960 -0.005 0.000 0.209 78 G C 1.094 175.981 174.900 -0.023 0.000 1.150 78 G CA 0.042 45.126 45.100 -0.027 0.000 0.785 78 G HN 0.220 nan 8.290 nan 0.000 0.535 79 L N -1.150 120.056 121.223 -0.029 0.000 2.575 79 L HA 0.254 4.591 4.340 -0.005 0.000 0.228 79 L C 1.442 178.301 176.870 -0.019 0.000 1.075 79 L CA 0.043 54.871 54.840 -0.021 0.000 0.867 79 L CB 0.266 42.313 42.059 -0.020 0.000 1.097 79 L HN 0.026 nan 8.230 nan 0.000 0.485 80 Q N 1.884 121.670 119.800 -0.024 0.000 3.159 80 Q HA 0.080 4.417 4.340 -0.005 0.000 0.280 80 Q C -0.417 175.576 176.000 -0.013 0.000 1.403 80 Q CA 0.083 55.876 55.803 -0.017 0.000 0.957 80 Q CB -0.028 28.698 28.738 -0.020 0.000 1.729 80 Q HN 0.277 nan 8.270 nan 0.000 0.551 81 T N -2.992 111.556 114.554 -0.010 0.000 2.991 81 T HA 0.332 4.679 4.350 -0.005 0.000 0.303 81 T C -2.252 172.445 174.700 -0.006 0.000 1.015 81 T CA -1.999 60.097 62.100 -0.008 0.000 1.007 81 T CB 1.614 70.477 68.868 -0.009 0.000 1.034 81 T HN 0.029 nan 8.240 nan 0.000 0.446 82 P HA -0.101 nan 4.420 nan 0.000 0.235 82 P C 0.929 178.227 177.300 -0.004 0.000 1.166 82 P CA 0.807 63.905 63.100 -0.003 0.000 0.760 82 P CB -0.201 31.498 31.700 -0.002 0.000 0.815 83 S N -3.583 112.114 115.700 -0.005 0.000 2.632 83 S HA 0.066 4.533 4.470 -0.005 0.000 0.237 83 S C 0.708 175.304 174.600 -0.007 0.000 1.037 83 S CA -0.392 57.805 58.200 -0.006 0.000 1.009 83 S CB -0.834 62.362 63.200 -0.006 0.000 0.974 83 S HN 0.162 nan 8.310 nan 0.000 0.544 84 C N 3.015 122.311 119.300 -0.008 0.000 2.648 84 C HA 0.462 4.920 4.460 -0.005 0.000 0.419 84 C C 0.802 175.787 174.990 -0.009 0.000 1.352 84 C CA 0.173 59.186 59.018 -0.009 0.000 1.816 84 C CB -0.578 27.156 27.740 -0.010 0.000 2.598 84 C HN 0.615 nan 8.230 nan 0.000 0.598 85 K N 4.725 125.119 120.400 -0.010 0.000 2.676 85 K HA 0.243 4.560 4.320 -0.005 0.000 0.205 85 K C 0.111 176.703 176.600 -0.013 0.000 1.084 85 K CA -0.221 56.059 56.287 -0.010 0.000 1.057 85 K CB 0.368 32.862 32.500 -0.010 0.000 0.791 85 K HN 0.774 nan 8.250 nan 0.000 0.484 86 I N 1.579 122.141 120.570 -0.015 0.000 2.752 86 I HA -0.200 3.968 4.170 -0.005 0.000 0.289 86 I C 0.794 176.897 176.117 -0.023 0.000 1.197 86 I CA 0.910 62.199 61.300 -0.019 0.000 1.432 86 I CB 0.706 38.694 38.000 -0.019 0.000 1.359 86 I HN 0.335 nan 8.210 nan 0.000 0.571 87 Q N 5.286 125.068 119.800 -0.030 0.000 2.423 87 Q HA 0.247 4.585 4.340 -0.005 0.000 0.231 87 Q C -0.028 175.939 176.000 -0.055 0.000 0.894 87 Q CA 0.296 56.077 55.803 -0.036 0.000 0.938 87 Q CB 0.510 29.229 28.738 -0.032 0.000 1.079 87 Q HN 0.479 nan 8.270 nan 0.000 0.552 88 K N 0.938 121.299 120.400 -0.065 0.000 2.443 88 K HA 0.441 4.759 4.320 -0.005 0.000 0.252 88 K C -2.009 174.525 176.600 -0.110 0.000 0.933 88 K CA -0.730 55.492 56.287 -0.109 0.000 0.792 88 K CB 1.762 34.193 32.500 -0.116 0.000 1.185 88 K HN -0.036 nan 8.250 nan 0.000 0.425 89 L N 2.289 123.425 121.223 -0.145 0.000 2.409 89 L HA 0.432 4.769 4.340 -0.005 0.000 0.272 89 L C -1.303 175.486 176.870 -0.135 0.000 0.980 89 L CA -0.036 54.742 54.840 -0.103 0.000 0.826 89 L CB 1.998 44.025 42.059 -0.053 0.000 1.268 89 L HN 0.533 nan 8.230 nan 0.000 0.407 90 S N 5.379 121.034 115.700 -0.075 0.000 2.519 90 S HA 0.667 5.134 4.470 -0.005 0.000 0.309 90 S C -0.375 174.255 174.600 0.049 0.000 1.100 90 S CA -0.524 57.678 58.200 0.003 0.000 1.059 90 S CB 0.743 63.983 63.200 0.067 0.000 1.008 90 S HN 0.698 nan 8.310 nan 0.000 0.478 91 L N 4.196 125.463 121.223 0.073 0.000 3.255 91 L HA 0.389 4.726 4.340 -0.005 0.000 0.293 91 L C 0.624 177.538 176.870 0.073 0.000 1.302 91 L CA -0.228 54.648 54.840 0.061 0.000 0.977 91 L CB 0.476 42.565 42.059 0.050 0.000 1.390 91 L HN 0.651 nan 8.230 nan 0.000 0.588 92 Q N 1.421 121.276 119.800 0.092 0.000 2.330 92 Q HA -0.046 4.291 4.340 -0.005 0.000 0.279 92 Q C 0.468 176.498 176.000 0.051 0.000 1.024 92 Q CA 0.246 56.098 55.803 0.083 0.000 0.900 92 Q CB 0.389 29.182 28.738 0.093 0.000 1.221 92 Q HN 0.294 nan 8.270 nan 0.000 0.396 93 N N 2.357 121.081 118.700 0.040 0.000 2.688 93 N HA -0.205 4.533 4.740 -0.005 0.000 0.258 93 N C -1.248 174.273 175.510 0.017 0.000 1.016 93 N CA 0.556 53.617 53.050 0.018 0.000 0.747 93 N CB -1.230 37.257 38.487 -0.000 0.000 0.895 93 N HN 0.570 nan 8.380 nan 0.000 0.543 94 C N 0.020 119.335 119.300 0.024 0.000 2.994 94 C HA 0.354 4.811 4.460 -0.005 0.000 0.284 94 C C 1.074 176.073 174.990 0.016 0.000 1.404 94 C CA 0.018 59.048 59.018 0.020 0.000 1.775 94 C CB -1.729 26.028 27.740 0.028 0.000 2.458 94 C HN 0.833 nan 8.230 nan 0.000 0.593 95 C N 0.995 120.303 119.300 0.014 0.000 4.454 95 C HA -0.179 4.278 4.460 -0.005 0.000 0.298 95 C C 0.447 175.448 174.990 0.018 0.000 1.384 95 C CA 0.072 59.097 59.018 0.012 0.000 2.002 95 C CB -3.073 24.670 27.740 0.005 0.000 1.249 95 C HN 0.685 nan 8.230 nan 0.000 0.783 96 L N 0.730 121.968 121.223 0.025 0.000 2.375 96 L HA 0.644 4.981 4.340 -0.005 0.000 0.271 96 L C 0.948 177.835 176.870 0.028 0.000 1.107 96 L CA 0.681 55.539 54.840 0.030 0.000 0.806 96 L CB 1.505 43.586 42.059 0.038 0.000 1.146 96 L HN 0.604 nan 8.230 nan 0.000 0.447 97 T N -1.541 113.029 114.554 0.026 0.000 2.864 97 T HA 0.353 4.700 4.350 -0.005 0.000 0.289 97 T C 1.019 175.733 174.700 0.023 0.000 1.082 97 T CA -0.176 61.937 62.100 0.023 0.000 1.009 97 T CB 1.326 70.204 68.868 0.016 0.000 1.234 97 T HN 0.588 nan 8.240 nan 0.000 0.526 98 G N 0.193 109.005 108.800 0.020 0.000 2.503 98 G HA2 -0.100 3.857 3.960 -0.005 0.000 0.221 98 G HA3 -0.100 3.857 3.960 -0.005 0.000 0.221 98 G C 1.617 176.526 174.900 0.016 0.000 1.131 98 G CA 1.055 46.166 45.100 0.018 0.000 0.756 98 G HN 1.232 nan 8.290 nan 0.000 0.572 99 A N 0.464 123.292 122.820 0.013 0.000 2.067 99 A HA 0.267 4.584 4.320 -0.005 0.000 0.219 99 A C 2.540 180.133 177.584 0.015 0.000 1.158 99 A CA 1.699 53.741 52.037 0.008 0.000 0.661 99 A CB -0.533 18.468 19.000 0.001 0.000 0.801 99 A HN 0.530 nan 8.150 nan 0.000 0.452 100 G N -1.697 107.117 108.800 0.024 0.000 2.744 100 G HA2 -0.030 3.927 3.960 -0.005 0.000 0.211 100 G HA3 -0.030 3.927 3.960 -0.005 0.000 0.211 100 G C 1.104 176.030 174.900 0.044 0.000 1.143 100 G CA 0.971 46.093 45.100 0.038 0.000 0.788 100 G HN 0.505 nan 8.290 nan 0.000 0.534 101 C N 0.729 120.050 119.300 0.035 0.000 2.522 101 C HA 0.211 4.668 4.460 -0.005 0.000 0.271 101 C C 2.897 177.909 174.990 0.036 0.000 1.425 101 C CA 0.070 59.109 59.018 0.035 0.000 1.751 101 C CB -0.823 26.934 27.740 0.029 0.000 1.775 101 C HN 0.484 nan 8.230 nan 0.000 0.557 102 G N 1.243 110.065 108.800 0.036 0.000 2.404 102 G HA2 -0.106 3.851 3.960 -0.005 0.000 0.214 102 G HA3 -0.106 3.851 3.960 -0.005 0.000 0.214 102 G C 1.620 176.553 174.900 0.055 0.000 1.189 102 G CA 1.336 46.458 45.100 0.036 0.000 0.789 102 G HN 0.372 nan 8.290 nan 0.000 0.533 103 V N 1.159 121.123 119.914 0.083 0.000 2.324 103 V HA -0.193 3.924 4.120 -0.005 0.000 0.250 103 V C 2.879 179.013 176.094 0.067 0.000 1.060 103 V CA 1.532 63.902 62.300 0.115 0.000 1.042 103 V CB -0.827 31.107 31.823 0.185 0.000 0.650 103 V HN 0.296 nan 8.190 nan 0.000 0.450 104 L N 0.022 121.279 121.223 0.056 0.000 2.042 104 L HA -0.181 4.157 4.340 -0.005 0.000 0.210 104 L C 2.820 179.712 176.870 0.037 0.000 1.076 104 L CA 1.918 56.783 54.840 0.042 0.000 0.749 104 L CB -0.599 41.486 42.059 0.043 0.000 0.893 104 L HN 0.333 nan 8.230 nan 0.000 0.432 105 S N -0.897 114.825 115.700 0.037 0.000 2.383 105 S HA -0.181 4.286 4.470 -0.005 0.000 0.229 105 S C 2.160 176.778 174.600 0.029 0.000 1.030 105 S CA 1.633 59.851 58.200 0.031 0.000 1.002 105 S CB -0.045 63.172 63.200 0.027 0.000 0.829 105 S HN 0.434 nan 8.310 nan 0.000 0.467 106 S N 0.740 116.459 115.700 0.033 0.000 2.345 106 S HA -0.093 4.374 4.470 -0.005 0.000 0.220 106 S C 2.079 176.692 174.600 0.022 0.000 1.031 106 S CA 1.636 59.854 58.200 0.029 0.000 0.996 106 S CB -1.042 62.180 63.200 0.037 0.000 0.882 106 S HN 0.609 nan 8.310 nan 0.000 0.445 107 T N 3.661 118.228 114.554 0.021 0.000 2.597 107 T HA -0.139 4.208 4.350 -0.005 0.000 0.267 107 T C 1.778 176.487 174.700 0.015 0.000 1.053 107 T CA 1.512 63.619 62.100 0.012 0.000 1.165 107 T CB -0.846 68.027 68.868 0.009 0.000 0.863 107 T HN 0.227 nan 8.240 nan 0.000 0.427 108 L N 0.465 121.701 121.223 0.021 0.000 2.051 108 L HA -0.226 4.111 4.340 -0.005 0.000 0.214 108 L C 2.817 179.700 176.870 0.022 0.000 1.076 108 L CA 1.671 56.526 54.840 0.025 0.000 0.758 108 L CB -0.612 41.467 42.059 0.033 0.000 0.890 108 L HN 0.282 nan 8.230 nan 0.000 0.433 109 R N -0.733 119.779 120.500 0.021 0.000 2.189 109 R HA -0.084 4.253 4.340 -0.005 0.000 0.223 109 R C 1.700 178.009 176.300 0.014 0.000 1.092 109 R CA 1.558 57.669 56.100 0.018 0.000 0.989 109 R CB -0.383 29.927 30.300 0.017 0.000 0.876 109 R HN 0.467 nan 8.270 nan 0.000 0.457 110 T N -2.527 112.034 114.554 0.012 0.000 3.182 110 T HA 0.322 4.669 4.350 -0.005 0.000 0.277 110 T C 0.246 174.950 174.700 0.005 0.000 1.013 110 T CA -0.303 61.802 62.100 0.008 0.000 0.900 110 T CB 0.244 69.116 68.868 0.007 0.000 1.098 110 T HN -0.023 nan 8.240 nan 0.000 0.543 111 L N 2.573 123.800 121.223 0.007 0.000 2.490 111 L HA 0.403 4.741 4.340 -0.005 0.000 0.256 111 L C -2.021 174.852 176.870 0.005 0.000 1.089 111 L CA -2.019 52.823 54.840 0.003 0.000 0.916 111 L CB 2.495 44.554 42.059 0.000 0.000 1.188 111 L HN -0.056 nan 8.230 nan 0.000 0.476 112 P HA -0.024 nan 4.420 nan 0.000 0.241 112 P C 1.179 178.480 177.300 0.002 0.000 1.191 112 P CA 0.568 63.672 63.100 0.006 0.000 0.771 112 P CB 0.070 31.774 31.700 0.007 0.000 0.929 113 T N -2.838 111.714 114.554 -0.003 0.000 3.014 113 T HA 0.046 4.393 4.350 -0.005 0.000 0.263 113 T C 0.851 175.543 174.700 -0.013 0.000 1.078 113 T CA -0.176 61.919 62.100 -0.008 0.000 1.135 113 T CB -0.837 68.026 68.868 -0.009 0.000 0.895 113 T HN -0.037 nan 8.240 nan 0.000 0.480 114 L N 2.393 123.609 121.223 -0.012 0.000 2.500 114 L HA 0.237 4.574 4.340 -0.005 0.000 0.272 114 L C 0.934 177.792 176.870 -0.021 0.000 1.149 114 L CA 0.347 55.175 54.840 -0.019 0.000 0.897 114 L CB 0.414 42.465 42.059 -0.013 0.000 1.178 114 L HN 0.146 nan 8.230 nan 0.000 0.473 115 Q N 2.818 122.595 119.800 -0.038 0.000 2.316 115 Q HA 0.202 4.539 4.340 -0.005 0.000 0.235 115 Q C -0.248 175.708 176.000 -0.074 0.000 0.863 115 Q CA 0.119 55.892 55.803 -0.050 0.000 0.939 115 Q CB 0.897 29.602 28.738 -0.055 0.000 1.108 115 Q HN 0.740 nan 8.270 nan 0.000 0.522 116 E N 0.885 121.039 120.200 -0.077 0.000 2.256 116 E HA 0.456 4.803 4.350 -0.005 0.000 0.268 116 E C -1.974 174.556 176.600 -0.118 0.000 0.877 116 E CA -0.724 55.618 56.400 -0.096 0.000 0.757 116 E CB 1.478 31.106 29.700 -0.119 0.000 1.183 116 E HN -0.069 nan 8.360 nan 0.000 0.418 117 L N 4.589 125.784 121.223 -0.048 0.000 2.409 117 L HA 0.465 4.802 4.340 -0.005 0.000 0.272 117 L C -1.866 175.088 176.870 0.139 0.000 0.980 117 L CA -0.586 54.244 54.840 -0.016 0.000 0.826 117 L CB 1.574 43.657 42.059 0.039 0.000 1.268 117 L HN 0.650 nan 8.230 nan 0.000 0.407 118 H N 6.824 125.910 119.070 0.026 0.000 2.595 118 H HA 0.496 5.049 4.556 -0.005 0.000 0.313 118 H C 0.056 175.408 175.328 0.040 0.000 1.023 118 H CA -0.512 55.556 56.048 0.033 0.000 1.218 118 H CB 1.562 31.342 29.762 0.029 0.000 1.403 118 H HN 0.608 nan 8.280 nan 0.000 0.477 119 L N 1.329 122.651 121.223 0.165 0.000 3.069 119 L HA 0.200 4.537 4.340 -0.005 0.000 0.271 119 L C 0.445 177.373 176.870 0.098 0.000 1.201 119 L CA -0.070 54.837 54.840 0.112 0.000 1.015 119 L CB 0.450 42.563 42.059 0.090 0.000 1.371 119 L HN 0.286 nan 8.230 nan 0.000 0.574 120 S N 0.504 116.264 115.700 0.099 0.000 2.566 120 S HA -0.008 4.459 4.470 -0.005 0.000 0.280 120 S C 0.343 175.008 174.600 0.109 0.000 1.343 120 S CA -0.006 58.259 58.200 0.107 0.000 1.036 120 S CB 0.308 63.568 63.200 0.100 0.000 0.866 120 S HN 0.390 nan 8.310 nan 0.000 0.526 121 D N 1.183 121.672 120.400 0.148 0.000 2.746 121 D HA -0.136 4.501 4.640 -0.005 0.000 0.236 121 D C -0.817 175.519 176.300 0.061 0.000 1.129 121 D CA 0.795 54.852 54.000 0.094 0.000 0.691 121 D CB -1.442 39.369 40.800 0.018 0.000 1.077 121 D HN 0.458 nan 8.370 nan 0.000 0.432 122 N N -0.529 118.216 118.700 0.074 0.000 2.371 122 N HA 0.446 5.183 4.740 -0.005 0.000 0.291 122 N C 0.416 175.960 175.510 0.056 0.000 1.053 122 N CA -0.398 52.684 53.050 0.054 0.000 0.870 122 N CB 1.714 40.232 38.487 0.052 0.000 1.503 122 N HN 0.116 nan 8.380 nan 0.000 0.485 123 L N 3.464 124.714 121.223 0.044 0.000 2.400 123 L HA 0.253 4.590 4.340 -0.005 0.000 0.262 123 L C 1.423 178.313 176.870 0.034 0.000 1.309 123 L CA 0.327 55.192 54.840 0.041 0.000 1.186 123 L CB -1.660 40.418 42.059 0.031 0.000 1.375 123 L HN 0.598 nan 8.230 nan 0.000 0.433 124 L N 1.743 122.988 121.223 0.038 0.000 2.162 124 L HA 0.428 4.765 4.340 -0.005 0.000 0.205 124 L C 1.638 178.523 176.870 0.025 0.000 1.086 124 L CA 0.732 55.591 54.840 0.032 0.000 0.778 124 L CB -0.653 41.428 42.059 0.036 0.000 0.928 124 L HN 0.894 nan 8.230 nan 0.000 0.446 125 G N 0.650 109.465 108.800 0.025 0.000 2.880 125 G HA2 -0.257 3.700 3.960 -0.005 0.000 0.617 125 G HA3 -0.257 3.700 3.960 -0.005 0.000 0.617 125 G C 0.027 174.935 174.900 0.013 0.000 1.493 125 G CA -0.062 45.048 45.100 0.018 0.000 0.916 125 G HN 0.227 nan 8.290 nan 0.000 0.553 126 D N 0.213 120.618 120.400 0.008 0.000 2.149 126 D HA -0.096 4.541 4.640 -0.005 0.000 0.198 126 D C 2.743 179.046 176.300 0.004 0.000 0.990 126 D CA 2.106 56.108 54.000 0.004 0.000 0.839 126 D CB -0.490 40.310 40.800 0.000 0.000 0.948 126 D HN 0.865 nan 8.370 nan 0.000 0.460 127 A N 1.179 124.002 122.820 0.005 0.000 1.858 127 A HA -0.067 4.250 4.320 -0.005 0.000 0.216 127 A C 2.449 180.037 177.584 0.008 0.000 1.190 127 A CA 2.252 54.292 52.037 0.005 0.000 0.617 127 A CB -1.190 17.813 19.000 0.005 0.000 0.827 127 A HN 0.309 nan 8.150 nan 0.000 0.443 128 G N -0.303 108.504 108.800 0.012 0.000 2.421 128 G HA2 -0.174 3.783 3.960 -0.005 0.000 0.216 128 G HA3 -0.174 3.783 3.960 -0.005 0.000 0.216 128 G C 1.536 176.446 174.900 0.017 0.000 1.171 128 G CA 1.218 46.328 45.100 0.016 0.000 0.775 128 G HN 0.501 nan 8.290 nan 0.000 0.543 129 L N 0.224 121.456 121.223 0.015 0.000 2.042 129 L HA -0.060 4.277 4.340 -0.005 0.000 0.210 129 L C 2.914 179.788 176.870 0.006 0.000 1.076 129 L CA 2.242 57.090 54.840 0.013 0.000 0.749 129 L CB -0.547 41.517 42.059 0.009 0.000 0.893 129 L HN 0.291 nan 8.230 nan 0.000 0.432 130 Q N -0.757 119.045 119.800 0.003 0.000 2.077 130 Q HA -0.258 4.080 4.340 -0.005 0.000 0.206 130 Q C 2.342 178.343 176.000 0.002 0.000 0.989 130 Q CA 2.434 58.236 55.803 -0.001 0.000 0.853 130 Q CB -0.370 28.366 28.738 -0.002 0.000 0.907 130 Q HN 0.587 nan 8.270 nan 0.000 0.418 131 L N -0.232 120.994 121.223 0.007 0.000 2.017 131 L HA -0.220 4.117 4.340 -0.005 0.000 0.208 131 L C 2.209 179.086 176.870 0.013 0.000 1.073 131 L CA 0.929 55.775 54.840 0.010 0.000 0.745 131 L CB -0.260 41.807 42.059 0.013 0.000 0.894 131 L HN 0.338 nan 8.230 nan 0.000 0.432 132 L N -0.433 120.800 121.223 0.017 0.000 2.043 132 L HA -0.299 4.038 4.340 -0.005 0.000 0.212 132 L C 2.518 179.397 176.870 0.016 0.000 1.075 132 L CA 1.800 56.653 54.840 0.022 0.000 0.752 132 L CB -0.582 41.494 42.059 0.028 0.000 0.891 132 L HN 0.346 nan 8.230 nan 0.000 0.432 133 C N -0.630 118.673 119.300 0.005 0.000 2.422 133 C HA -0.092 4.365 4.460 -0.005 0.000 0.286 133 C C 2.592 177.579 174.990 -0.005 0.000 1.412 133 C CA 0.321 59.334 59.018 -0.007 0.000 1.786 133 C CB -1.029 26.699 27.740 -0.020 0.000 1.835 133 C HN 0.533 nan 8.230 nan 0.000 0.533 134 E N 0.517 120.718 120.200 0.002 0.000 2.072 134 E HA -0.104 4.244 4.350 -0.005 0.000 0.191 134 E C 2.410 179.015 176.600 0.008 0.000 0.985 134 E CA 1.507 57.909 56.400 0.003 0.000 0.801 134 E CB -0.337 29.367 29.700 0.006 0.000 0.750 134 E HN 0.725 nan 8.360 nan 0.000 0.452 135 G N 0.905 109.714 108.800 0.015 0.000 2.430 135 G HA2 -0.143 3.814 3.960 -0.005 0.000 0.216 135 G HA3 -0.143 3.814 3.960 -0.005 0.000 0.216 135 G C 1.671 176.585 174.900 0.023 0.000 1.146 135 G CA -0.022 45.090 45.100 0.020 0.000 0.793 135 G HN 0.093 nan 8.290 nan 0.000 0.537 136 L N -0.032 121.205 121.223 0.023 0.000 2.083 136 L HA 0.014 4.351 4.340 -0.005 0.000 0.209 136 L C 2.717 179.596 176.870 0.015 0.000 1.083 136 L CA 0.697 55.554 54.840 0.029 0.000 0.752 136 L CB -0.284 41.785 42.059 0.017 0.000 0.899 136 L HN 0.192 nan 8.230 nan 0.000 0.433 137 L N -0.967 120.256 121.223 0.000 0.000 2.465 137 L HA -0.066 4.271 4.340 -0.005 0.000 0.224 137 L C 0.993 177.866 176.870 0.004 0.000 1.145 137 L CA 0.015 54.852 54.840 -0.006 0.000 0.834 137 L CB -0.349 41.702 42.059 -0.013 0.000 0.944 137 L HN 0.239 nan 8.230 nan 0.000 0.451 138 D N 0.759 121.166 120.400 0.011 0.000 2.493 138 D HA -0.019 4.618 4.640 -0.005 0.000 0.240 138 D C -1.594 174.715 176.300 0.016 0.000 1.142 138 D CA -1.182 52.825 54.000 0.013 0.000 0.872 138 D CB 1.711 42.520 40.800 0.015 0.000 1.173 138 D HN -0.052 nan 8.370 nan 0.000 0.467 139 P HA -0.102 nan 4.420 nan 0.000 0.225 139 P C 0.886 178.197 177.300 0.018 0.000 1.148 139 P CA 0.800 63.909 63.100 0.015 0.000 0.779 139 P CB 0.323 32.029 31.700 0.011 0.000 0.780 140 Q N -1.372 118.438 119.800 0.017 0.000 2.432 140 Q HA 0.020 4.358 4.340 -0.005 0.000 0.205 140 Q C 0.238 176.251 176.000 0.021 0.000 0.945 140 Q CA 0.150 55.963 55.803 0.017 0.000 0.924 140 Q CB -0.749 27.997 28.738 0.014 0.000 1.016 140 Q HN 0.142 nan 8.270 nan 0.000 0.503 141 C N 1.574 120.891 119.300 0.028 0.000 2.482 141 C HA 0.329 4.786 4.460 -0.005 0.000 0.378 141 C C 0.652 175.671 174.990 0.048 0.000 1.284 141 C CA -0.434 58.606 59.018 0.038 0.000 1.826 141 C CB -0.359 27.408 27.740 0.045 0.000 2.473 141 C HN 0.406 nan 8.230 nan 0.000 0.562 142 R N 4.035 124.561 120.500 0.042 0.000 2.633 142 R HA 0.157 4.494 4.340 -0.005 0.000 0.348 142 R C -0.278 176.047 176.300 0.042 0.000 1.100 142 R CA -0.550 55.575 56.100 0.042 0.000 1.068 142 R CB 0.083 30.396 30.300 0.021 0.000 1.351 142 R HN 0.603 nan 8.270 nan 0.000 0.575 143 L N 1.849 123.114 121.223 0.070 0.000 2.499 143 L HA -0.039 4.298 4.340 -0.005 0.000 0.273 143 L C 0.924 177.796 176.870 0.003 0.000 1.195 143 L CA 1.178 56.051 54.840 0.056 0.000 0.882 143 L CB 0.512 42.644 42.059 0.123 0.000 1.133 143 L HN 0.194 nan 8.230 nan 0.000 0.483 144 E N 3.168 123.243 120.200 -0.208 0.000 2.508 144 E HA 0.168 4.515 4.350 -0.005 0.000 0.217 144 E C -0.502 175.577 176.600 -0.869 0.000 0.896 144 E CA -0.015 56.071 56.400 -0.523 0.000 1.118 144 E CB 0.657 30.196 29.700 -0.269 0.000 1.133 144 E HN 0.472 nan 8.360 nan 0.000 0.526 145 K N 1.412 121.521 120.400 -0.486 0.000 2.507 145 K HA 0.466 4.784 4.320 -0.005 0.000 0.252 145 K C -1.584 174.960 176.600 -0.095 0.000 0.943 145 K CA -0.777 55.313 56.287 -0.327 0.000 0.808 145 K CB 2.641 35.053 32.500 -0.147 0.000 1.142 145 K HN -0.133 nan 8.250 nan 0.000 0.426 146 L N 2.431 123.666 121.223 0.019 0.000 2.409 146 L HA 0.311 4.648 4.340 -0.005 0.000 0.272 146 L C -1.368 175.587 176.870 0.142 0.000 0.980 146 L CA -0.153 54.786 54.840 0.165 0.000 0.826 146 L CB 1.958 44.206 42.059 0.316 0.000 1.268 146 L HN 0.545 nan 8.230 nan 0.000 0.407 147 Q N 6.182 126.067 119.800 0.141 0.000 2.331 147 Q HA 0.566 4.903 4.340 -0.005 0.000 0.267 147 Q C -0.918 175.124 176.000 0.071 0.000 1.006 147 Q CA -0.455 55.386 55.803 0.062 0.000 0.818 147 Q CB 2.430 31.135 28.738 -0.054 0.000 1.276 147 Q HN 0.663 nan 8.270 nan 0.000 0.450 148 L N 2.155 123.408 121.223 0.049 0.000 3.059 148 L HA 0.300 4.637 4.340 -0.005 0.000 0.298 148 L C -0.265 176.621 176.870 0.028 0.000 1.304 148 L CA -0.093 54.777 54.840 0.050 0.000 0.855 148 L CB 0.673 42.761 42.059 0.047 0.000 1.266 148 L HN 0.510 nan 8.230 nan 0.000 0.572 149 E N -0.106 120.113 120.200 0.031 0.000 2.366 149 E HA 0.182 4.529 4.350 -0.005 0.000 0.266 149 E C -0.643 176.017 176.600 0.101 0.000 1.051 149 E CA -0.729 55.662 56.400 -0.015 0.000 0.884 149 E CB 0.486 30.197 29.700 0.019 0.000 1.006 149 E HN 0.131 nan 8.360 nan 0.000 0.417 150 Y N -0.457 119.856 120.300 0.022 0.000 3.001 150 Y HA -0.262 4.285 4.550 -0.005 0.000 0.199 150 Y C 0.421 176.332 175.900 0.018 0.000 1.320 150 Y CA -0.141 57.971 58.100 0.019 0.000 0.974 150 Y CB -1.905 36.566 38.460 0.018 0.000 1.291 150 Y HN 0.507 nan 8.280 nan 0.000 0.465 151 C N -0.939 118.422 119.300 0.102 0.000 3.125 151 C HA 0.370 4.827 4.460 -0.005 0.000 0.284 151 C C 1.474 176.496 174.990 0.055 0.000 1.386 151 C CA 0.547 59.612 59.018 0.077 0.000 1.763 151 C CB -0.528 27.245 27.740 0.056 0.000 2.377 151 C HN 0.816 nan 8.230 nan 0.000 0.620 152 S N 0.757 116.489 115.700 0.055 0.000 3.672 152 S HA -0.153 4.314 4.470 -0.005 0.000 0.319 152 S C 0.040 174.651 174.600 0.020 0.000 1.151 152 S CA 0.368 58.591 58.200 0.038 0.000 0.911 152 S CB -1.382 61.841 63.200 0.039 0.000 0.939 152 S HN 0.642 nan 8.310 nan 0.000 0.524 153 L N 1.327 122.556 121.223 0.010 0.000 2.421 153 L HA 0.662 4.999 4.340 -0.005 0.000 0.263 153 L C 0.794 177.661 176.870 -0.006 0.000 1.122 153 L CA -0.134 54.707 54.840 0.002 0.000 0.804 153 L CB 1.374 43.431 42.059 -0.002 0.000 1.150 153 L HN 0.393 nan 8.230 nan 0.000 0.457 154 S N 0.388 116.084 115.700 -0.007 0.000 2.810 154 S HA 0.605 5.072 4.470 -0.005 0.000 0.315 154 S C 0.695 175.287 174.600 -0.013 0.000 1.138 154 S CA -0.100 58.094 58.200 -0.010 0.000 0.889 154 S CB 1.444 64.641 63.200 -0.006 0.000 1.236 154 S HN 0.635 nan 8.310 nan 0.000 0.548 155 A N 0.291 123.103 122.820 -0.014 0.000 2.131 155 A HA 0.231 4.548 4.320 -0.005 0.000 0.220 155 A C 2.211 179.786 177.584 -0.015 0.000 1.158 155 A CA 1.772 53.800 52.037 -0.016 0.000 0.665 155 A CB -1.615 17.376 19.000 -0.016 0.000 0.795 155 A HN 1.370 nan 8.150 nan 0.000 0.460 156 A N -0.767 122.045 122.820 -0.012 0.000 1.972 156 A HA -0.051 4.267 4.320 -0.005 0.000 0.219 156 A C 2.335 179.911 177.584 -0.014 0.000 1.169 156 A CA 1.840 53.870 52.037 -0.012 0.000 0.635 156 A CB -0.645 18.350 19.000 -0.009 0.000 0.810 156 A HN 0.419 nan 8.150 nan 0.000 0.446 157 S N -1.295 114.397 115.700 -0.013 0.000 2.481 157 S HA -0.118 4.349 4.470 -0.005 0.000 0.231 157 S C 1.694 176.280 174.600 -0.022 0.000 0.996 157 S CA 0.956 59.147 58.200 -0.015 0.000 0.942 157 S CB -0.591 62.603 63.200 -0.011 0.000 0.768 157 S HN 0.734 nan 8.310 nan 0.000 0.520 158 C N 1.133 120.419 119.300 -0.024 0.000 2.432 158 C HA 0.026 4.484 4.460 -0.005 0.000 0.280 158 C C 2.657 177.626 174.990 -0.035 0.000 1.353 158 C CA 0.429 59.429 59.018 -0.030 0.000 1.766 158 C CB -0.963 26.761 27.740 -0.027 0.000 1.924 158 C HN 0.543 nan 8.230 nan 0.000 0.509 159 E N 1.654 121.836 120.200 -0.030 0.000 2.028 159 E HA -0.089 4.258 4.350 -0.005 0.000 0.191 159 E C -0.408 176.169 176.600 -0.038 0.000 0.988 159 E CA 1.768 58.149 56.400 -0.031 0.000 0.799 159 E CB -1.265 28.421 29.700 -0.024 0.000 0.755 159 E HN 0.354 nan 8.360 nan 0.000 0.447 160 P HA -0.117 nan 4.420 nan 0.000 0.216 160 P C 1.523 178.786 177.300 -0.061 0.000 1.150 160 P CA 1.089 64.165 63.100 -0.041 0.000 0.837 160 P CB -0.056 31.626 31.700 -0.030 0.000 0.786 161 L N -0.844 120.341 121.223 -0.065 0.000 2.017 161 L HA -0.161 4.176 4.340 -0.005 0.000 0.208 161 L C 2.498 179.295 176.870 -0.122 0.000 1.073 161 L CA 1.627 56.409 54.840 -0.097 0.000 0.745 161 L CB -1.108 40.906 42.059 -0.075 0.000 0.894 161 L HN -0.048 nan 8.230 nan 0.000 0.432 162 A N -1.312 121.456 122.820 -0.087 0.000 1.978 162 A HA -0.219 4.098 4.320 -0.005 0.000 0.220 162 A C 2.478 180.008 177.584 -0.089 0.000 1.170 162 A CA 2.124 54.111 52.037 -0.084 0.000 0.636 162 A CB -0.529 18.437 19.000 -0.056 0.000 0.810 162 A HN 0.362 nan 8.150 nan 0.000 0.448 163 S N -1.121 114.530 115.700 -0.080 0.000 2.406 163 S HA -0.043 4.424 4.470 -0.005 0.000 0.228 163 S C 1.843 176.387 174.600 -0.093 0.000 1.020 163 S CA 1.072 59.229 58.200 -0.071 0.000 0.965 163 S CB -0.219 62.949 63.200 -0.053 0.000 0.798 163 S HN 0.333 nan 8.310 nan 0.000 0.488 164 V N 1.882 121.717 119.914 -0.132 0.000 2.323 164 V HA -0.081 4.037 4.120 -0.005 0.000 0.244 164 V C 2.140 178.090 176.094 -0.240 0.000 1.041 164 V CA 1.365 63.560 62.300 -0.176 0.000 1.025 164 V CB -0.472 31.215 31.823 -0.227 0.000 0.656 164 V HN 0.437 nan 8.190 nan 0.000 0.451 165 L N -0.635 120.414 121.223 -0.291 0.000 2.042 165 L HA -0.202 4.135 4.340 -0.005 0.000 0.210 165 L C 2.703 179.496 176.870 -0.127 0.000 1.076 165 L CA 1.677 56.351 54.840 -0.276 0.000 0.749 165 L CB -0.587 41.340 42.059 -0.219 0.000 0.893 165 L HN 0.226 nan 8.230 nan 0.000 0.432 166 R N -0.477 119.966 120.500 -0.095 0.000 2.189 166 R HA -0.082 4.255 4.340 -0.005 0.000 0.223 166 R C 1.874 178.149 176.300 -0.041 0.000 1.092 166 R CA 1.100 57.167 56.100 -0.054 0.000 0.989 166 R CB -0.062 30.210 30.300 -0.047 0.000 0.876 166 R HN 0.338 nan 8.270 nan 0.000 0.457 167 A N -0.104 122.685 122.820 -0.052 0.000 2.343 167 A HA 0.170 4.487 4.320 -0.005 0.000 0.223 167 A C 0.658 178.237 177.584 -0.010 0.000 1.214 167 A CA 0.198 52.217 52.037 -0.029 0.000 0.900 167 A CB 0.391 19.372 19.000 -0.031 0.000 0.942 167 A HN 0.150 nan 8.150 nan 0.000 0.507 168 K N 1.389 121.784 120.400 -0.009 0.000 2.464 168 K HA 0.569 4.886 4.320 -0.005 0.000 0.252 168 K C -2.303 174.352 176.600 0.092 0.000 1.000 168 K CA -1.549 54.771 56.287 0.055 0.000 0.951 168 K CB 0.625 33.185 32.500 0.101 0.000 1.183 168 K HN 0.179 nan 8.250 nan 0.000 0.445 169 P HA -0.120 nan 4.420 nan 0.000 0.226 169 P C -0.123 177.227 177.300 0.084 0.000 1.153 169 P CA 0.993 64.133 63.100 0.067 0.000 0.777 169 P CB 0.212 31.936 31.700 0.040 0.000 0.794 170 D N -1.550 118.909 120.400 0.099 0.000 2.427 170 D HA 0.031 4.668 4.640 -0.005 0.000 0.224 170 D C -0.164 176.188 176.300 0.086 0.000 1.157 170 D CA -0.922 53.121 54.000 0.072 0.000 0.828 170 D CB -1.148 39.678 40.800 0.042 0.000 0.974 170 D HN 0.028 nan 8.370 nan 0.000 0.498 171 F N 1.396 121.346 119.950 0.000 0.000 2.467 171 F HA 0.267 4.792 4.527 -0.004 0.000 0.362 171 F C 1.391 177.191 175.800 -0.000 0.000 1.090 171 F CA -0.019 57.981 58.000 0.001 0.000 1.202 171 F CB 1.251 40.251 39.000 -0.000 0.000 1.113 171 F HN -0.269 nan 8.300 nan 0.000 0.541 172 K N 2.280 122.443 120.400 -0.395 0.000 2.350 172 K HA 0.093 4.410 4.320 -0.005 0.000 0.196 172 K C -0.404 176.101 176.600 -0.158 0.000 1.084 172 K CA 0.158 56.328 56.287 -0.194 0.000 0.967 172 K CB 0.527 32.925 32.500 -0.170 0.000 0.950 172 K HN 0.646 nan 8.250 nan 0.000 0.512 173 E N 0.965 120.992 120.200 -0.288 0.000 2.290 173 E HA 0.320 4.667 4.350 -0.005 0.000 0.274 173 E C -1.917 174.700 176.600 0.029 0.000 0.889 173 E CA -0.798 55.543 56.400 -0.098 0.000 0.760 173 E CB 1.593 31.235 29.700 -0.097 0.000 1.206 173 E HN -0.076 nan 8.360 nan 0.000 0.419 174 L N 3.540 124.851 121.223 0.147 0.000 2.404 174 L HA 0.536 4.873 4.340 -0.005 0.000 0.272 174 L C -1.498 175.423 176.870 0.084 0.000 0.980 174 L CA 0.045 55.014 54.840 0.215 0.000 0.836 174 L CB 2.147 44.358 42.059 0.255 0.000 1.238 174 L HN 0.594 nan 8.230 nan 0.000 0.408 175 T N 4.832 119.422 114.554 0.060 0.000 2.791 175 T HA 0.501 4.848 4.350 -0.005 0.000 0.288 175 T C 0.233 174.940 174.700 0.012 0.000 0.999 175 T CA -0.234 61.873 62.100 0.013 0.000 0.952 175 T CB 1.136 69.994 68.868 -0.016 0.000 0.938 175 T HN 0.492 nan 8.240 nan 0.000 0.444 176 V N 0.491 120.401 119.914 -0.006 0.000 2.925 176 V HA 0.403 4.520 4.120 -0.005 0.000 0.361 176 V C 0.588 176.647 176.094 -0.059 0.000 1.361 176 V CA -0.767 61.520 62.300 -0.022 0.000 1.184 176 V CB -0.226 31.590 31.823 -0.013 0.000 1.245 176 V HN 0.639 nan 8.190 nan 0.000 0.575 177 S N 2.318 117.977 115.700 -0.069 0.000 2.573 177 S HA 0.257 4.724 4.470 -0.005 0.000 0.277 177 S C 0.842 175.299 174.600 -0.239 0.000 1.346 177 S CA 0.202 58.339 58.200 -0.105 0.000 1.034 177 S CB -0.033 63.138 63.200 -0.048 0.000 0.879 177 S HN 0.807 nan 8.310 nan 0.000 0.528 178 N N 1.963 120.499 118.700 -0.274 0.000 2.738 178 N HA -0.164 4.573 4.740 -0.005 0.000 0.249 178 N C -1.291 174.029 175.510 -0.316 0.000 1.047 178 N CA 0.557 53.345 53.050 -0.437 0.000 0.707 178 N CB -1.261 36.516 38.487 -1.183 0.000 0.937 178 N HN 0.535 nan 8.380 nan 0.000 0.545 179 N N 0.539 119.142 118.700 -0.163 0.000 2.287 179 N HA 0.165 4.903 4.740 -0.005 0.000 0.289 179 N C -1.196 174.276 175.510 -0.063 0.000 1.066 179 N CA -0.463 52.533 53.050 -0.089 0.000 0.841 179 N CB 1.303 39.751 38.487 -0.066 0.000 1.599 179 N HN -0.031 nan 8.380 nan 0.000 0.476 180 D N 2.363 122.739 120.400 -0.039 0.000 2.558 180 D HA 0.149 4.786 4.640 -0.005 0.000 0.221 180 D C 1.662 177.946 176.300 -0.027 0.000 1.143 180 D CA -0.103 53.878 54.000 -0.032 0.000 1.010 180 D CB 0.411 41.199 40.800 -0.020 0.000 1.068 180 D HN 0.574 nan 8.370 nan 0.000 0.511 181 I N -2.083 118.468 120.570 -0.032 0.000 2.876 181 I HA -0.064 4.103 4.170 -0.005 0.000 0.264 181 I C 0.269 176.371 176.117 -0.026 0.000 1.204 181 I CA -0.158 61.126 61.300 -0.027 0.000 1.485 181 I CB -0.071 37.912 38.000 -0.029 0.000 1.103 181 I HN -0.057 nan 8.210 nan 0.000 0.446 182 N N 2.105 120.788 118.700 -0.029 0.000 6.461 182 N HA -0.341 4.396 4.740 -0.005 0.000 0.395 182 N C 0.855 176.349 175.510 -0.026 0.000 0.932 182 N CA 1.369 54.402 53.050 -0.028 0.000 1.356 182 N CB -0.424 38.049 38.487 -0.023 0.000 0.799 182 N HN 0.572 nan 8.380 nan 0.000 0.402 183 E N 0.349 120.535 120.200 -0.024 0.000 2.118 183 E HA -0.143 4.204 4.350 -0.005 0.000 0.195 183 E C 1.794 178.382 176.600 -0.020 0.000 0.992 183 E CA 1.804 58.191 56.400 -0.022 0.000 0.804 183 E CB -0.239 29.450 29.700 -0.020 0.000 0.741 183 E HN 0.570 nan 8.360 nan 0.000 0.458 184 A N 0.749 123.558 122.820 -0.019 0.000 1.845 184 A HA -0.083 4.234 4.320 -0.005 0.000 0.215 184 A C 2.495 180.068 177.584 -0.019 0.000 1.195 184 A CA 1.791 53.818 52.037 -0.017 0.000 0.616 184 A CB -1.415 17.576 19.000 -0.016 0.000 0.832 184 A HN 0.462 nan 8.150 nan 0.000 0.443 185 G N -0.683 108.105 108.800 -0.020 0.000 2.418 185 G HA2 -0.120 3.837 3.960 -0.005 0.000 0.217 185 G HA3 -0.120 3.837 3.960 -0.005 0.000 0.217 185 G C 1.528 176.414 174.900 -0.024 0.000 1.158 185 G CA 1.257 46.344 45.100 -0.022 0.000 0.771 185 G HN 0.315 nan 8.290 nan 0.000 0.545 186 V N 0.862 120.762 119.914 -0.024 0.000 2.287 186 V HA -0.203 3.915 4.120 -0.005 0.000 0.248 186 V C 2.811 178.891 176.094 -0.022 0.000 1.053 186 V CA 2.309 64.594 62.300 -0.024 0.000 1.027 186 V CB -0.481 31.326 31.823 -0.026 0.000 0.646 186 V HN 0.478 nan 8.190 nan 0.000 0.447 187 R N -0.240 120.247 120.500 -0.021 0.000 2.091 187 R HA -0.152 4.185 4.340 -0.005 0.000 0.238 187 R C 2.197 178.484 176.300 -0.021 0.000 1.136 187 R CA 1.909 57.997 56.100 -0.020 0.000 0.959 187 R CB -0.432 29.858 30.300 -0.018 0.000 0.856 187 R HN 0.357 nan 8.270 nan 0.000 0.437 188 V N 1.206 121.107 119.914 -0.022 0.000 2.261 188 V HA -0.249 3.868 4.120 -0.005 0.000 0.246 188 V C 2.334 178.411 176.094 -0.028 0.000 1.047 188 V CA 1.695 63.981 62.300 -0.024 0.000 1.015 188 V CB -0.547 31.261 31.823 -0.024 0.000 0.642 188 V HN 0.326 nan 8.190 nan 0.000 0.446 189 L N -0.274 120.932 121.223 -0.029 0.000 2.021 189 L HA -0.249 4.088 4.340 -0.005 0.000 0.215 189 L C 2.484 179.336 176.870 -0.029 0.000 1.074 189 L CA 2.283 57.104 54.840 -0.032 0.000 0.760 189 L CB -0.928 41.114 42.059 -0.028 0.000 0.889 189 L HN 0.416 nan 8.230 nan 0.000 0.433 190 C N -1.349 117.936 119.300 -0.024 0.000 2.429 190 C HA -0.203 4.254 4.460 -0.005 0.000 0.277 190 C C 2.740 177.716 174.990 -0.023 0.000 1.262 190 C CA 0.896 59.901 59.018 -0.021 0.000 1.733 190 C CB -0.826 26.902 27.740 -0.019 0.000 2.010 190 C HN 0.595 nan 8.230 nan 0.000 0.483 191 Q N 0.170 119.956 119.800 -0.023 0.000 2.096 191 Q HA -0.114 4.223 4.340 -0.005 0.000 0.204 191 Q C 2.421 178.405 176.000 -0.026 0.000 0.982 191 Q CA 1.968 57.757 55.803 -0.023 0.000 0.850 191 Q CB -0.477 28.248 28.738 -0.022 0.000 0.901 191 Q HN 0.794 nan 8.270 nan 0.000 0.422 192 G N 0.421 109.202 108.800 -0.032 0.000 2.418 192 G HA2 -0.242 3.715 3.960 -0.005 0.000 0.217 192 G HA3 -0.242 3.715 3.960 -0.005 0.000 0.217 192 G C 1.336 176.214 174.900 -0.037 0.000 1.158 192 G CA 0.611 45.687 45.100 -0.041 0.000 0.771 192 G HN 0.216 nan 8.290 nan 0.000 0.545 193 L N 0.670 121.875 121.223 -0.031 0.000 2.046 193 L HA -0.033 4.304 4.340 -0.005 0.000 0.208 193 L C 3.559 180.419 176.870 -0.016 0.000 1.077 193 L CA 1.747 56.576 54.840 -0.019 0.000 0.747 193 L CB -0.447 41.605 42.059 -0.011 0.000 0.896 193 L HN 0.398 nan 8.230 nan 0.000 0.432 194 K N -0.401 119.988 120.400 -0.019 0.000 2.057 194 K HA -0.190 4.128 4.320 -0.005 0.000 0.206 194 K C 1.659 178.248 176.600 -0.018 0.000 1.050 194 K CA 1.883 58.158 56.287 -0.020 0.000 0.935 194 K CB -0.830 31.656 32.500 -0.022 0.000 0.715 194 K HN 0.339 nan 8.250 nan 0.000 0.439 195 D N 0.146 120.534 120.400 -0.019 0.000 2.183 195 D HA -0.014 4.623 4.640 -0.005 0.000 0.203 195 D C 1.065 177.356 176.300 -0.015 0.000 0.969 195 D CA 0.862 54.852 54.000 -0.017 0.000 0.842 195 D CB -0.441 40.348 40.800 -0.019 0.000 0.957 195 D HN 0.404 nan 8.370 nan 0.000 0.484 196 S N 1.407 117.097 115.700 -0.017 0.000 2.560 196 S HA 0.085 4.552 4.470 -0.005 0.000 0.284 196 S C -1.773 172.827 174.600 -0.001 0.000 1.327 196 S CA -1.024 57.168 58.200 -0.013 0.000 1.055 196 S CB 1.275 64.464 63.200 -0.018 0.000 0.868 196 S HN -0.077 nan 8.310 nan 0.000 0.506 197 P HA 0.196 nan 4.420 nan 0.000 0.262 197 P C 0.454 177.769 177.300 0.025 0.000 1.304 197 P CA -0.288 62.819 63.100 0.012 0.000 0.859 197 P CB -1.059 30.648 31.700 0.011 0.000 1.310 198 C N 0.230 119.553 119.300 0.038 0.000 2.644 198 C HA 0.328 4.785 4.460 -0.005 0.000 0.417 198 C C 0.902 175.925 174.990 0.054 0.000 1.304 198 C CA -0.514 58.544 59.018 0.067 0.000 2.035 198 C CB -0.169 27.644 27.740 0.122 0.000 2.673 198 C HN 0.133 nan 8.230 nan 0.000 0.602 199 Q N 2.306 122.136 119.800 0.050 0.000 3.207 199 Q HA 0.259 4.596 4.340 -0.005 0.000 0.335 199 Q C -0.073 175.948 176.000 0.035 0.000 1.374 199 Q CA -0.117 55.705 55.803 0.032 0.000 1.023 199 Q CB 0.128 28.878 28.738 0.021 0.000 1.576 199 Q HN 0.868 nan 8.270 nan 0.000 0.515 200 L N 1.212 122.466 121.223 0.052 0.000 2.525 200 L HA -0.115 4.222 4.340 -0.005 0.000 0.278 200 L C 1.046 177.929 176.870 0.020 0.000 1.218 200 L CA 1.177 56.051 54.840 0.057 0.000 0.878 200 L CB 0.544 42.649 42.059 0.078 0.000 1.127 200 L HN 0.366 nan 8.230 nan 0.000 0.492 201 E N 3.385 123.586 120.200 0.002 0.000 2.399 201 E HA 0.350 4.697 4.350 -0.005 0.000 0.205 201 E C -0.314 176.274 176.600 -0.020 0.000 0.906 201 E CA 0.362 56.755 56.400 -0.012 0.000 0.998 201 E CB 0.536 30.222 29.700 -0.023 0.000 1.002 201 E HN 0.659 nan 8.360 nan 0.000 0.501 202 A N 1.471 124.278 122.820 -0.022 0.000 2.408 202 A HA 0.594 4.912 4.320 -0.005 0.000 0.295 202 A C -1.716 175.858 177.584 -0.016 0.000 1.040 202 A CA -0.574 51.441 52.037 -0.037 0.000 0.707 202 A CB 1.268 20.230 19.000 -0.063 0.000 1.235 202 A HN 0.083 nan 8.150 nan 0.000 0.418 203 L N 1.967 123.177 121.223 -0.022 0.000 2.381 203 L HA 0.646 4.983 4.340 -0.005 0.000 0.274 203 L C -0.854 176.001 176.870 -0.025 0.000 0.988 203 L CA -0.158 54.679 54.840 -0.005 0.000 0.824 203 L CB 1.612 43.674 42.059 0.006 0.000 1.263 203 L HN 0.630 nan 8.230 nan 0.000 0.410 204 K N 6.783 127.170 120.400 -0.021 0.000 2.450 204 K HA 0.530 4.847 4.320 -0.005 0.000 0.257 204 K C -0.825 175.768 176.600 -0.012 0.000 0.953 204 K CA -0.450 55.822 56.287 -0.024 0.000 0.844 204 K CB 1.854 34.328 32.500 -0.042 0.000 1.103 204 K HN 0.592 nan 8.250 nan 0.000 0.429 205 L N 2.684 123.901 121.223 -0.009 0.000 3.186 205 L HA 0.210 4.547 4.340 -0.005 0.000 0.292 205 L C -0.152 176.696 176.870 -0.037 0.000 1.303 205 L CA -0.304 54.521 54.840 -0.025 0.000 0.940 205 L CB 0.405 42.448 42.059 -0.027 0.000 1.358 205 L HN 0.477 nan 8.230 nan 0.000 0.581 206 E N 0.461 120.653 120.200 -0.013 0.000 2.360 206 E HA 0.158 4.505 4.350 -0.005 0.000 0.269 206 E C 0.324 176.880 176.600 -0.073 0.000 1.022 206 E CA -0.166 56.217 56.400 -0.029 0.000 0.887 206 E CB 0.791 30.570 29.700 0.132 0.000 0.990 206 E HN 0.268 nan 8.360 nan 0.000 0.426 207 S N 1.014 116.637 115.700 -0.129 0.000 3.550 207 S HA -0.180 4.287 4.470 -0.005 0.000 0.372 207 S C 0.311 174.855 174.600 -0.095 0.000 0.966 207 S CA 0.283 58.417 58.200 -0.110 0.000 1.229 207 S CB -1.711 61.447 63.200 -0.070 0.000 0.917 207 S HN 0.677 nan 8.310 nan 0.000 0.496 208 C N 0.044 119.292 119.300 -0.086 0.000 3.243 208 C HA 0.557 5.014 4.460 -0.005 0.000 0.286 208 C C 1.906 176.861 174.990 -0.057 0.000 1.373 208 C CA 0.073 59.049 59.018 -0.070 0.000 1.749 208 C CB -0.627 27.076 27.740 -0.062 0.000 2.313 208 C HN 1.438 nan 8.230 nan 0.000 0.644 209 G N 1.324 110.088 108.800 -0.060 0.000 2.136 209 G HA2 -0.206 3.751 3.960 -0.005 0.000 0.242 209 G HA3 -0.206 3.751 3.960 -0.005 0.000 0.242 209 G C 0.050 174.922 174.900 -0.047 0.000 0.989 209 G CA 0.304 45.375 45.100 -0.049 0.000 0.682 209 G HN 0.393 nan 8.290 nan 0.000 0.522 210 V N 1.590 121.471 119.914 -0.055 0.000 2.655 210 V HA 0.523 4.640 4.120 -0.005 0.000 0.300 210 V C 1.272 177.338 176.094 -0.047 0.000 1.044 210 V CA 0.840 63.111 62.300 -0.049 0.000 1.095 210 V CB 0.962 32.752 31.823 -0.054 0.000 0.952 210 V HN 0.853 nan 8.190 nan 0.000 0.485 211 T N 0.730 115.262 114.554 -0.036 0.000 2.841 211 T HA 0.348 4.695 4.350 -0.005 0.000 0.276 211 T C 1.119 175.802 174.700 -0.027 0.000 1.003 211 T CA -0.004 62.077 62.100 -0.032 0.000 0.995 211 T CB 1.492 70.345 68.868 -0.025 0.000 1.260 211 T HN 0.475 nan 8.240 nan 0.000 0.581 212 S N 0.322 116.008 115.700 -0.022 0.000 2.368 212 S HA -0.095 4.373 4.470 -0.005 0.000 0.224 212 S C 1.475 176.067 174.600 -0.014 0.000 1.029 212 S CA 1.452 59.642 58.200 -0.017 0.000 0.988 212 S CB -0.751 62.441 63.200 -0.014 0.000 0.838 212 S HN 0.818 nan 8.310 nan 0.000 0.462 213 D N 1.690 122.082 120.400 -0.014 0.000 2.123 213 D HA -0.065 4.572 4.640 -0.005 0.000 0.196 213 D C 1.692 177.984 176.300 -0.013 0.000 0.992 213 D CA 1.072 55.064 54.000 -0.012 0.000 0.833 213 D CB -0.413 40.380 40.800 -0.012 0.000 0.954 213 D HN 0.454 nan 8.370 nan 0.000 0.455 214 N N -0.763 117.927 118.700 -0.016 0.000 2.348 214 N HA -0.144 4.593 4.740 -0.005 0.000 0.185 214 N C 1.289 176.790 175.510 -0.015 0.000 1.019 214 N CA 0.416 53.455 53.050 -0.017 0.000 0.880 214 N CB 0.004 38.478 38.487 -0.022 0.000 0.965 214 N HN 0.239 nan 8.380 nan 0.000 0.437 215 C N 0.443 119.735 119.300 -0.013 0.000 2.422 215 C HA -0.053 4.404 4.460 -0.005 0.000 0.279 215 C C 3.127 178.113 174.990 -0.006 0.000 1.305 215 C CA 1.172 60.184 59.018 -0.009 0.000 1.757 215 C CB -1.314 26.421 27.740 -0.007 0.000 1.962 215 C HN 0.605 nan 8.230 nan 0.000 0.499 216 R N 0.820 121.316 120.500 -0.007 0.000 2.092 216 R HA -0.120 4.217 4.340 -0.005 0.000 0.231 216 R C 1.676 177.971 176.300 -0.008 0.000 1.119 216 R CA 2.022 58.119 56.100 -0.005 0.000 0.970 216 R CB -1.169 29.128 30.300 -0.005 0.000 0.864 216 R HN 0.600 nan 8.270 nan 0.000 0.440 217 D N 0.822 121.216 120.400 -0.011 0.000 2.084 217 D HA -0.078 4.559 4.640 -0.005 0.000 0.194 217 D C 2.085 178.376 176.300 -0.015 0.000 0.990 217 D CA 1.445 55.436 54.000 -0.014 0.000 0.826 217 D CB -0.170 40.621 40.800 -0.015 0.000 0.971 217 D HN 0.380 nan 8.370 nan 0.000 0.453 218 L N 0.550 121.765 121.223 -0.013 0.000 2.083 218 L HA -0.164 4.173 4.340 -0.005 0.000 0.209 218 L C 2.810 179.673 176.870 -0.012 0.000 1.083 218 L CA 0.641 55.474 54.840 -0.012 0.000 0.752 218 L CB -0.314 41.740 42.059 -0.008 0.000 0.899 218 L HN 0.181 nan 8.230 nan 0.000 0.433 219 C N 0.237 119.531 119.300 -0.009 0.000 2.411 219 C HA -0.135 4.322 4.460 -0.005 0.000 0.279 219 C C 2.822 177.798 174.990 -0.023 0.000 1.288 219 C CA 1.037 60.051 59.018 -0.007 0.000 1.764 219 C CB -1.310 26.431 27.740 0.001 0.000 1.974 219 C HN 0.661 nan 8.230 nan 0.000 0.498 220 G N 0.040 108.824 108.800 -0.028 0.000 2.394 220 G HA2 -0.068 3.889 3.960 -0.005 0.000 0.215 220 G HA3 -0.068 3.889 3.960 -0.005 0.000 0.215 220 G C 1.380 176.247 174.900 -0.055 0.000 1.165 220 G CA 0.952 46.025 45.100 -0.044 0.000 0.784 220 G HN 0.456 nan 8.290 nan 0.000 0.535 221 I N 0.713 121.260 120.570 -0.038 0.000 2.163 221 I HA -0.130 4.037 4.170 -0.005 0.000 0.243 221 I C 2.885 178.977 176.117 -0.041 0.000 1.085 221 I CA 0.636 61.916 61.300 -0.034 0.000 1.347 221 I CB -0.457 37.531 38.000 -0.020 0.000 1.044 221 I HN 0.024 nan 8.210 nan 0.000 0.408 222 V N 0.531 120.424 119.914 -0.035 0.000 2.295 222 V HA -0.296 3.821 4.120 -0.005 0.000 0.246 222 V C 2.625 178.681 176.094 -0.063 0.000 1.049 222 V CA 1.918 64.200 62.300 -0.029 0.000 1.024 222 V CB -1.193 30.626 31.823 -0.007 0.000 0.648 222 V HN 0.507 nan 8.190 nan 0.000 0.447 223 A N 0.343 123.093 122.820 -0.116 0.000 1.972 223 A HA -0.169 4.148 4.320 -0.005 0.000 0.219 223 A C 2.437 179.787 177.584 -0.389 0.000 1.169 223 A CA 2.260 54.117 52.037 -0.301 0.000 0.635 223 A CB -0.448 18.343 19.000 -0.349 0.000 0.810 223 A HN 0.681 nan 8.150 nan 0.000 0.446 224 S N -1.311 114.261 115.700 -0.213 0.000 2.475 224 S HA 0.143 4.610 4.470 -0.005 0.000 0.224 224 S C 0.778 175.333 174.600 -0.076 0.000 1.042 224 S CA -0.078 58.032 58.200 -0.150 0.000 0.935 224 S CB -0.013 63.125 63.200 -0.104 0.000 0.801 224 S HN 0.253 nan 8.310 nan 0.000 0.509 225 K N 2.619 122.987 120.400 -0.053 0.000 2.167 225 K HA 0.442 4.759 4.320 -0.005 0.000 0.275 225 K C 0.783 177.374 176.600 -0.014 0.000 1.103 225 K CA 0.246 56.519 56.287 -0.023 0.000 0.963 225 K CB 0.595 33.088 32.500 -0.012 0.000 1.243 225 K HN 0.403 nan 8.250 nan 0.000 0.407 226 A N 1.936 124.752 122.820 -0.006 0.000 2.168 226 A HA -0.110 4.208 4.320 -0.005 0.000 0.215 226 A C 1.859 179.449 177.584 0.009 0.000 1.152 226 A CA 1.399 53.441 52.037 0.007 0.000 0.716 226 A CB -0.129 18.880 19.000 0.015 0.000 0.794 226 A HN 0.611 nan 8.150 nan 0.000 0.465 227 S N -1.068 114.636 115.700 0.006 0.000 2.528 227 S HA 0.188 4.655 4.470 -0.005 0.000 0.219 227 S C 0.490 175.092 174.600 0.004 0.000 0.985 227 S CA -0.303 57.901 58.200 0.007 0.000 0.914 227 S CB -0.522 62.683 63.200 0.008 0.000 0.776 227 S HN 0.282 nan 8.310 nan 0.000 0.526 228 L N 2.982 124.208 121.223 0.004 0.000 2.534 228 L HA 0.253 4.590 4.340 -0.005 0.000 0.271 228 L C 1.111 177.982 176.870 0.002 0.000 1.178 228 L CA 0.273 55.114 54.840 0.001 0.000 0.907 228 L CB 0.302 42.362 42.059 0.001 0.000 1.164 228 L HN 0.053 nan 8.230 nan 0.000 0.482 229 R N 2.567 123.064 120.500 -0.005 0.000 2.435 229 R HA 0.273 4.610 4.340 -0.005 0.000 0.221 229 R C -0.275 176.018 176.300 -0.012 0.000 0.885 229 R CA 0.106 56.204 56.100 -0.003 0.000 1.018 229 R CB 0.250 30.548 30.300 -0.004 0.000 1.259 229 R HN 0.727 nan 8.270 nan 0.000 0.597 230 E N 0.643 120.824 120.200 -0.032 0.000 2.275 230 E HA 0.393 4.741 4.350 -0.005 0.000 0.270 230 E C -1.730 174.831 176.600 -0.063 0.000 0.882 230 E CA -0.657 55.703 56.400 -0.067 0.000 0.758 230 E CB 1.493 31.119 29.700 -0.124 0.000 1.195 230 E HN -0.114 nan 8.360 nan 0.000 0.419 231 L N 4.031 125.225 121.223 -0.048 0.000 2.406 231 L HA 0.718 5.055 4.340 -0.005 0.000 0.270 231 L C -1.539 175.335 176.870 0.006 0.000 0.982 231 L CA -0.271 54.559 54.840 -0.017 0.000 0.843 231 L CB 1.571 43.639 42.059 0.015 0.000 1.225 231 L HN 0.612 nan 8.230 nan 0.000 0.412 232 A N 5.717 128.530 122.820 -0.011 0.000 2.258 232 A HA 0.720 5.037 4.320 -0.005 0.000 0.316 232 A C -0.173 177.469 177.584 0.097 0.000 1.279 232 A CA -0.309 51.785 52.037 0.095 0.000 0.876 232 A CB 0.431 19.438 19.000 0.011 0.000 1.170 232 A HN 0.817 nan 8.150 nan 0.000 0.520 233 L N 3.229 124.517 121.223 0.107 0.000 3.358 233 L HA 0.259 4.596 4.340 -0.005 0.000 0.301 233 L C 1.249 178.017 176.870 -0.170 0.000 1.276 233 L CA -0.327 54.503 54.840 -0.017 0.000 1.028 233 L CB 0.587 42.637 42.059 -0.014 0.000 1.421 233 L HN 0.822 nan 8.230 nan 0.000 0.604 234 G N -0.916 107.716 108.800 -0.280 0.000 2.554 234 G HA2 0.204 4.161 3.960 -0.005 0.000 0.238 234 G HA3 0.204 4.161 3.960 -0.005 0.000 0.238 234 G C 0.675 174.938 174.900 -1.062 0.000 1.259 234 G CA 0.411 44.850 45.100 -1.101 0.000 0.843 234 G HN 0.172 nan 8.290 nan 0.000 0.582 235 S N -0.134 114.860 115.700 -1.176 0.000 3.749 235 S HA -0.167 4.300 4.470 -0.005 0.000 0.348 235 S C 0.047 174.442 174.600 -0.343 0.000 1.045 235 S CA 0.668 58.464 58.200 -0.675 0.000 1.051 235 S CB -1.512 61.317 63.200 -0.619 0.000 0.898 235 S HN 0.807 nan 8.310 nan 0.000 0.472 236 N N 1.075 119.605 118.700 -0.284 0.000 2.310 236 N HA 0.405 5.142 4.740 -0.005 0.000 0.292 236 N C -0.207 175.225 175.510 -0.130 0.000 1.049 236 N CA -0.069 52.880 53.050 -0.169 0.000 0.849 236 N CB 1.634 40.034 38.487 -0.145 0.000 1.532 236 N HN 0.350 nan 8.380 nan 0.000 0.479 237 K N 2.863 123.209 120.400 -0.091 0.000 2.199 237 K HA 0.157 4.474 4.320 -0.005 0.000 0.226 237 K C 1.283 177.850 176.600 -0.054 0.000 1.237 237 K CA 0.095 56.342 56.287 -0.066 0.000 1.170 237 K CB -1.307 31.164 32.500 -0.049 0.000 1.418 237 K HN 0.539 nan 8.250 nan 0.000 0.255 238 L N 0.550 121.738 121.223 -0.058 0.000 2.127 238 L HA 0.199 4.536 4.340 -0.005 0.000 0.203 238 L C 1.553 178.406 176.870 -0.028 0.000 1.080 238 L CA 0.896 55.711 54.840 -0.042 0.000 0.768 238 L CB -0.580 41.452 42.059 -0.044 0.000 0.924 238 L HN 0.953 nan 8.230 nan 0.000 0.444 239 G N 0.347 109.131 108.800 -0.027 0.000 2.855 239 G HA2 -0.260 3.697 3.960 -0.005 0.000 0.352 239 G HA3 -0.260 3.697 3.960 -0.005 0.000 0.352 239 G C -0.053 174.843 174.900 -0.007 0.000 1.415 239 G CA -0.064 45.026 45.100 -0.016 0.000 0.871 239 G HN 0.201 nan 8.290 nan 0.000 0.543 240 D N -0.734 119.665 120.400 -0.001 0.000 2.219 240 D HA -0.053 4.584 4.640 -0.005 0.000 0.205 240 D C 2.667 178.969 176.300 0.003 0.000 0.970 240 D CA 1.425 55.428 54.000 0.004 0.000 0.851 240 D CB -0.061 40.743 40.800 0.007 0.000 0.943 240 D HN 0.302 nan 8.370 nan 0.000 0.488 241 V N 0.836 120.750 119.914 -0.001 0.000 2.379 241 V HA -0.113 4.004 4.120 -0.005 0.000 0.245 241 V C 2.579 178.672 176.094 -0.001 0.000 1.044 241 V CA 1.913 64.213 62.300 -0.001 0.000 1.036 241 V CB -0.873 30.948 31.823 -0.003 0.000 0.664 241 V HN 0.215 nan 8.190 nan 0.000 0.453 242 G N -0.799 107.998 108.800 -0.005 0.000 2.418 242 G HA2 -0.284 3.673 3.960 -0.005 0.000 0.217 242 G HA3 -0.284 3.673 3.960 -0.005 0.000 0.217 242 G C 1.550 176.450 174.900 -0.000 0.000 1.158 242 G CA 1.089 46.185 45.100 -0.006 0.000 0.771 242 G HN 0.281 nan 8.290 nan 0.000 0.545 243 M N 1.649 121.251 119.600 0.003 0.000 2.082 243 M HA 0.025 4.503 4.480 -0.005 0.000 0.258 243 M C 2.887 179.195 176.300 0.012 0.000 1.071 243 M CA 1.348 56.655 55.300 0.011 0.000 1.103 243 M CB -1.202 31.406 32.600 0.014 0.000 1.307 243 M HN 0.289 nan 8.290 nan 0.000 0.409 244 A N -1.251 121.575 122.820 0.010 0.000 1.940 244 A HA -0.219 4.098 4.320 -0.005 0.000 0.219 244 A C 2.135 179.726 177.584 0.010 0.000 1.176 244 A CA 2.149 54.193 52.037 0.010 0.000 0.631 244 A CB -0.819 18.186 19.000 0.008 0.000 0.814 244 A HN 0.578 nan 8.150 nan 0.000 0.446 245 E N -1.188 119.016 120.200 0.008 0.000 2.150 245 E HA -0.095 4.252 4.350 -0.005 0.000 0.193 245 E C 1.780 178.385 176.600 0.010 0.000 0.985 245 E CA 0.834 57.238 56.400 0.007 0.000 0.814 245 E CB -0.090 29.611 29.700 0.002 0.000 0.752 245 E HN 0.486 nan 8.360 nan 0.000 0.466 246 L N -0.479 120.750 121.223 0.011 0.000 2.162 246 L HA -0.048 4.289 4.340 -0.005 0.000 0.205 246 L C 1.917 178.800 176.870 0.022 0.000 1.086 246 L CA 1.019 55.868 54.840 0.014 0.000 0.778 246 L CB -0.389 41.679 42.059 0.015 0.000 0.928 246 L HN 0.239 nan 8.230 nan 0.000 0.446 247 C N 0.515 119.828 119.300 0.023 0.000 2.385 247 C HA -0.174 4.283 4.460 -0.005 0.000 0.275 247 C C 0.106 175.116 174.990 0.032 0.000 1.207 247 C CA 1.358 60.392 59.018 0.027 0.000 1.760 247 C CB -1.745 26.008 27.740 0.022 0.000 2.051 247 C HN 0.413 nan 8.230 nan 0.000 0.467 248 P HA -0.076 nan 4.420 nan 0.000 0.216 248 P C 1.485 178.829 177.300 0.073 0.000 1.150 248 P CA 2.372 65.499 63.100 0.045 0.000 0.843 248 P CB -0.351 31.372 31.700 0.039 0.000 0.787 249 G N -0.740 108.096 108.800 0.060 0.000 2.421 249 G HA2 -0.154 3.803 3.960 -0.005 0.000 0.217 249 G HA3 -0.154 3.803 3.960 -0.005 0.000 0.217 249 G C 1.441 176.391 174.900 0.083 0.000 1.143 249 G CA 0.232 45.373 45.100 0.068 0.000 0.784 249 G HN 0.228 nan 8.290 nan 0.000 0.541 250 L N -0.101 121.158 121.223 0.059 0.000 2.201 250 L HA 0.091 4.428 4.340 -0.005 0.000 0.212 250 L C 2.582 179.489 176.870 0.061 0.000 1.105 250 L CA 0.425 55.297 54.840 0.054 0.000 0.775 250 L CB -0.186 41.897 42.059 0.041 0.000 0.913 250 L HN 0.165 nan 8.230 nan 0.000 0.440 251 L N -1.701 119.559 121.223 0.062 0.000 2.492 251 L HA -0.027 4.310 4.340 -0.005 0.000 0.223 251 L C 1.238 178.136 176.870 0.046 0.000 1.132 251 L CA -0.167 54.697 54.840 0.040 0.000 0.850 251 L CB -0.430 41.642 42.059 0.021 0.000 0.966 251 L HN 0.256 nan 8.230 nan 0.000 0.454 252 H N 2.460 121.531 119.070 0.002 0.000 3.094 252 H HA -0.035 4.518 4.556 -0.005 0.000 0.320 252 H C -1.451 173.877 175.328 0.000 0.000 1.000 252 H CA -0.809 55.240 56.048 0.001 0.000 1.413 252 H CB 1.398 31.161 29.762 0.002 0.000 1.405 252 H HN -0.033 nan 8.280 nan 0.000 0.586 253 P HA -0.158 nan 4.420 nan 0.000 0.219 253 P C 1.279 178.621 177.300 0.069 0.000 1.146 253 P CA 1.522 64.596 63.100 -0.042 0.000 0.808 253 P CB 0.151 31.784 31.700 -0.111 0.000 0.779 254 S N -1.347 114.487 115.700 0.223 0.000 2.461 254 S HA -0.010 4.457 4.470 -0.005 0.000 0.228 254 S C 1.305 175.969 174.600 0.106 0.000 1.005 254 S CA 0.028 58.328 58.200 0.166 0.000 0.942 254 S CB -1.063 62.252 63.200 0.191 0.000 0.776 254 S HN 0.148 nan 8.310 nan 0.000 0.514 255 S N 1.855 117.628 115.700 0.121 0.000 2.533 255 S HA 0.251 4.718 4.470 -0.005 0.000 0.282 255 S C 0.408 175.035 174.600 0.044 0.000 1.304 255 S CA -0.587 57.653 58.200 0.066 0.000 1.063 255 S CB 0.109 63.351 63.200 0.071 0.000 0.881 255 S HN 0.369 nan 8.310 nan 0.000 0.493 256 R N 4.187 124.705 120.500 0.029 0.000 2.698 256 R HA 0.221 4.558 4.340 -0.005 0.000 0.422 256 R C -0.426 175.885 176.300 0.017 0.000 1.073 256 R CA -0.418 55.694 56.100 0.020 0.000 1.054 256 R CB -0.138 30.172 30.300 0.017 0.000 1.373 256 R HN 0.614 nan 8.270 nan 0.000 0.593 257 L N 1.868 123.104 121.223 0.021 0.000 2.540 257 L HA 0.017 4.354 4.340 -0.005 0.000 0.276 257 L C 1.541 178.425 176.870 0.024 0.000 1.212 257 L CA 0.853 55.706 54.840 0.022 0.000 0.893 257 L CB 0.675 42.751 42.059 0.029 0.000 1.138 257 L HN 0.267 nan 8.230 nan 0.000 0.491 258 R N 2.183 122.698 120.500 0.026 0.000 2.191 258 R HA 0.114 4.451 4.340 -0.005 0.000 0.196 258 R C -0.143 176.191 176.300 0.057 0.000 0.991 258 R CA 0.329 56.449 56.100 0.033 0.000 1.075 258 R CB 0.536 30.853 30.300 0.029 0.000 1.040 258 R HN 0.651 nan 8.270 nan 0.000 0.526 259 T N 1.644 116.234 114.554 0.061 0.000 2.840 259 T HA 0.425 4.772 4.350 -0.005 0.000 0.287 259 T C -1.587 173.191 174.700 0.131 0.000 0.991 259 T CA -0.488 61.679 62.100 0.111 0.000 0.964 259 T CB 1.825 70.728 68.868 0.058 0.000 0.954 259 T HN 0.060 nan 8.240 nan 0.000 0.438 260 L N 3.801 125.171 121.223 0.246 0.000 2.372 260 L HA 0.691 5.028 4.340 -0.005 0.000 0.274 260 L C -1.990 175.190 176.870 0.515 0.000 0.988 260 L CA -0.445 54.556 54.840 0.268 0.000 0.833 260 L CB 1.018 43.180 42.059 0.171 0.000 1.236 260 L HN 0.618 nan 8.230 nan 0.000 0.410 261 W N 7.245 128.643 121.300 0.164 0.000 2.294 261 W HA 0.540 5.197 4.660 -0.005 0.000 0.314 261 W C 0.066 176.687 176.519 0.170 0.000 1.044 261 W CA -0.923 56.580 57.345 0.264 0.000 1.284 261 W CB 1.077 30.740 29.460 0.339 0.000 1.231 261 W HN 0.465 nan 8.180 nan 0.000 0.419 262 I N 2.409 123.165 120.570 0.310 0.000 3.007 262 I HA 0.262 4.430 4.170 -0.005 0.000 0.333 262 I C 0.038 176.186 176.117 0.051 0.000 1.489 262 I CA -0.751 60.606 61.300 0.094 0.000 0.906 262 I CB -0.453 37.595 38.000 0.080 0.000 1.702 262 I HN 0.133 nan 8.210 nan 0.000 0.548 263 W N 1.433 122.744 121.300 0.018 0.000 2.150 263 W HA 0.376 5.033 4.660 -0.004 0.000 0.341 263 W C 0.230 176.737 176.519 -0.021 0.000 1.276 263 W CA -0.521 56.802 57.345 -0.036 0.000 1.238 263 W CB -0.150 29.240 29.460 -0.117 0.000 1.128 263 W HN 0.426 nan 8.180 nan 0.000 0.581 264 E N 0.455 120.713 120.200 0.097 0.000 2.199 264 E HA -0.227 4.120 4.350 -0.005 0.000 0.208 264 E C 0.194 176.698 176.600 -0.160 0.000 1.310 264 E CA 0.305 56.691 56.400 -0.024 0.000 0.709 264 E CB -1.382 28.344 29.700 0.042 0.000 1.127 264 E HN 0.480 nan 8.360 nan 0.000 0.354 265 C N 0.375 119.608 119.300 -0.113 0.000 3.000 265 C HA 0.317 4.775 4.460 -0.005 0.000 0.286 265 C C 1.613 176.565 174.990 -0.062 0.000 1.343 265 C CA 0.187 59.135 59.018 -0.117 0.000 1.742 265 C CB -0.468 27.210 27.740 -0.105 0.000 2.200 265 C HN 0.890 nan 8.230 nan 0.000 0.621 266 G N 2.033 110.808 108.800 -0.043 0.000 2.221 266 G HA2 -0.255 3.702 3.960 -0.005 0.000 0.265 266 G HA3 -0.255 3.702 3.960 -0.005 0.000 0.265 266 G C -0.167 174.726 174.900 -0.011 0.000 1.041 266 G CA 0.051 45.136 45.100 -0.024 0.000 0.807 266 G HN 0.607 nan 8.290 nan 0.000 0.502 267 I N 1.158 121.726 120.570 -0.003 0.000 2.396 267 I HA 0.528 4.696 4.170 -0.005 0.000 0.292 267 I C 1.219 177.347 176.117 0.019 0.000 0.999 267 I CA 0.063 61.369 61.300 0.010 0.000 1.310 267 I CB 1.468 39.480 38.000 0.020 0.000 1.404 267 I HN 0.345 nan 8.210 nan 0.000 0.496 268 T N 1.731 116.299 114.554 0.023 0.000 2.819 268 T HA 0.548 4.895 4.350 -0.005 0.000 0.271 268 T C 1.128 175.852 174.700 0.041 0.000 0.986 268 T CA -0.141 61.977 62.100 0.030 0.000 0.989 268 T CB 1.275 70.156 68.868 0.023 0.000 1.396 268 T HN 0.532 nan 8.240 nan 0.000 0.597 269 A N 0.266 123.113 122.820 0.046 0.000 2.024 269 A HA 0.120 4.438 4.320 -0.005 0.000 0.220 269 A C 2.535 180.138 177.584 0.031 0.000 1.164 269 A CA 2.425 54.490 52.037 0.046 0.000 0.643 269 A CB -1.754 17.270 19.000 0.041 0.000 0.806 269 A HN 1.176 nan 8.150 nan 0.000 0.451 270 K N -0.933 119.481 120.400 0.024 0.000 2.002 270 K HA 0.019 4.336 4.320 -0.005 0.000 0.209 270 K C 2.360 178.971 176.600 0.018 0.000 1.048 270 K CA 1.769 58.066 56.287 0.017 0.000 0.930 270 K CB -1.854 30.654 32.500 0.014 0.000 0.714 270 K HN 0.699 nan 8.250 nan 0.000 0.438 271 G N -0.241 108.571 108.800 0.021 0.000 2.471 271 G HA2 -0.188 3.769 3.960 -0.005 0.000 0.219 271 G HA3 -0.188 3.769 3.960 -0.005 0.000 0.219 271 G C 1.894 176.811 174.900 0.028 0.000 1.125 271 G CA 0.991 46.104 45.100 0.021 0.000 0.775 271 G HN 0.637 nan 8.290 nan 0.000 0.548 272 C N 0.827 120.148 119.300 0.035 0.000 2.429 272 C HA 0.090 4.547 4.460 -0.005 0.000 0.277 272 C C 3.225 178.233 174.990 0.030 0.000 1.262 272 C CA 1.427 60.471 59.018 0.044 0.000 1.733 272 C CB -1.071 26.704 27.740 0.058 0.000 2.010 272 C HN 0.433 nan 8.230 nan 0.000 0.483 273 G N -0.032 108.781 108.800 0.021 0.000 2.440 273 G HA2 -0.214 3.743 3.960 -0.005 0.000 0.218 273 G HA3 -0.214 3.743 3.960 -0.005 0.000 0.218 273 G C 1.352 176.260 174.900 0.013 0.000 1.154 273 G CA 1.260 46.367 45.100 0.012 0.000 0.767 273 G HN 0.613 nan 8.290 nan 0.000 0.552 274 D N 0.170 120.579 120.400 0.015 0.000 2.117 274 D HA -0.099 4.538 4.640 -0.005 0.000 0.197 274 D C 2.433 178.744 176.300 0.018 0.000 0.987 274 D CA 0.750 54.759 54.000 0.015 0.000 0.829 274 D CB -0.192 40.618 40.800 0.016 0.000 0.961 274 D HN 0.225 nan 8.370 nan 0.000 0.460 275 L N 1.003 122.240 121.223 0.024 0.000 2.079 275 L HA -0.148 4.189 4.340 -0.005 0.000 0.210 275 L C 2.310 179.195 176.870 0.024 0.000 1.081 275 L CA 1.414 56.272 54.840 0.029 0.000 0.752 275 L CB -0.486 41.597 42.059 0.040 0.000 0.896 275 L HN 0.045 nan 8.230 nan 0.000 0.433 276 C N -0.734 118.578 119.300 0.019 0.000 2.432 276 C HA -0.103 4.354 4.460 -0.005 0.000 0.280 276 C C 2.880 177.873 174.990 0.006 0.000 1.353 276 C CA 0.876 59.901 59.018 0.011 0.000 1.766 276 C CB -1.138 26.605 27.740 0.005 0.000 1.924 276 C HN 0.598 nan 8.230 nan 0.000 0.509 277 R N 0.875 121.379 120.500 0.007 0.000 2.096 277 R HA -0.116 4.221 4.340 -0.005 0.000 0.235 277 R C 1.838 178.140 176.300 0.003 0.000 1.127 277 R CA 1.822 57.924 56.100 0.004 0.000 0.968 277 R CB -0.208 30.095 30.300 0.005 0.000 0.861 277 R HN 0.382 nan 8.270 nan 0.000 0.440 278 V N 1.149 121.068 119.914 0.009 0.000 2.307 278 V HA -0.211 3.906 4.120 -0.005 0.000 0.245 278 V C 2.282 178.378 176.094 0.003 0.000 1.045 278 V CA 1.314 63.619 62.300 0.010 0.000 1.024 278 V CB -0.461 31.374 31.823 0.020 0.000 0.651 278 V HN 0.221 nan 8.190 nan 0.000 0.449 279 L N 0.663 121.888 121.223 0.004 0.000 2.079 279 L HA -0.165 4.172 4.340 -0.005 0.000 0.210 279 L C 2.576 179.435 176.870 -0.019 0.000 1.081 279 L CA 2.137 56.973 54.840 -0.005 0.000 0.752 279 L CB -0.874 41.186 42.059 0.002 0.000 0.896 279 L HN 0.484 nan 8.230 nan 0.000 0.433 280 R N -0.891 119.601 120.500 -0.014 0.000 2.299 280 R HA 0.165 4.502 4.340 -0.005 0.000 0.197 280 R C 1.565 177.851 176.300 -0.023 0.000 0.971 280 R CA 0.949 57.037 56.100 -0.019 0.000 1.030 280 R CB -0.234 30.060 30.300 -0.011 0.000 0.932 280 R HN 0.180 nan 8.270 nan 0.000 0.477 281 A N 0.554 123.362 122.820 -0.020 0.000 2.324 281 A HA 0.267 4.584 4.320 -0.005 0.000 0.220 281 A C -0.113 177.456 177.584 -0.025 0.000 1.209 281 A CA -0.155 51.870 52.037 -0.020 0.000 0.918 281 A CB 0.505 19.497 19.000 -0.014 0.000 0.959 281 A HN -0.007 nan 8.150 nan 0.000 0.507 282 K N 1.077 121.460 120.400 -0.028 0.000 2.507 282 K HA 0.358 4.675 4.320 -0.005 0.000 0.253 282 K C -0.605 175.962 176.600 -0.055 0.000 0.969 282 K CA -0.108 56.161 56.287 -0.030 0.000 0.908 282 K CB 1.319 33.812 32.500 -0.011 0.000 1.127 282 K HN 0.362 nan 8.250 nan 0.000 0.437 283 E N 0.102 120.259 120.200 -0.072 0.000 2.482 283 E HA -0.091 4.256 4.350 -0.005 0.000 0.196 283 E C 1.082 177.624 176.600 -0.096 0.000 1.047 283 E CA 0.549 56.877 56.400 -0.120 0.000 0.869 283 E CB 0.277 29.898 29.700 -0.132 0.000 0.836 283 E HN 0.497 nan 8.360 nan 0.000 0.520 284 S N 0.322 115.991 115.700 -0.052 0.000 2.470 284 S HA -0.005 4.463 4.470 -0.005 0.000 0.225 284 S C 0.848 175.438 174.600 -0.018 0.000 1.006 284 S CA -0.249 57.934 58.200 -0.028 0.000 0.934 284 S CB -0.002 63.193 63.200 -0.009 0.000 0.778 284 S HN 0.111 nan 8.310 nan 0.000 0.517 285 L N 2.776 123.987 121.223 -0.020 0.000 2.385 285 L HA 0.360 4.697 4.340 -0.005 0.000 0.281 285 L C 0.778 177.641 176.870 -0.011 0.000 1.106 285 L CA 0.167 55.006 54.840 -0.001 0.000 0.856 285 L CB 0.405 42.468 42.059 0.005 0.000 1.186 285 L HN -0.048 nan 8.230 nan 0.000 0.453 286 K N 3.298 123.705 120.400 0.011 0.000 2.365 286 K HA 0.261 4.579 4.320 -0.005 0.000 0.195 286 K C -0.302 176.304 176.600 0.010 0.000 1.079 286 K CA 0.468 56.761 56.287 0.010 0.000 0.979 286 K CB 0.583 33.101 32.500 0.030 0.000 0.929 286 K HN 0.630 nan 8.250 nan 0.000 0.523 287 E N 0.976 121.203 120.200 0.045 0.000 2.234 287 E HA 0.443 4.790 4.350 -0.005 0.000 0.266 287 E C -1.369 175.286 176.600 0.091 0.000 0.877 287 E CA -0.805 55.619 56.400 0.040 0.000 0.758 287 E CB 2.266 32.079 29.700 0.187 0.000 1.170 287 E HN -0.159 nan 8.360 nan 0.000 0.415 288 L N 1.601 122.808 121.223 -0.027 0.000 2.439 288 L HA 0.456 4.793 4.340 -0.005 0.000 0.270 288 L C -1.351 175.531 176.870 0.019 0.000 0.972 288 L CA -0.238 54.639 54.840 0.062 0.000 0.836 288 L CB 2.200 44.280 42.059 0.036 0.000 1.255 288 L HN 0.472 nan 8.230 nan 0.000 0.404 289 S N 5.058 120.875 115.700 0.195 0.000 2.438 289 S HA 0.604 5.071 4.470 -0.005 0.000 0.316 289 S C 0.153 174.869 174.600 0.194 0.000 1.084 289 S CA -0.452 57.881 58.200 0.220 0.000 1.107 289 S CB 0.594 63.805 63.200 0.019 0.000 0.981 289 S HN 0.778 nan 8.310 nan 0.000 0.466 290 L N 3.845 125.167 121.223 0.166 0.000 3.069 290 L HA 0.451 4.789 4.340 -0.005 0.000 0.271 290 L C 1.044 177.982 176.870 0.113 0.000 1.201 290 L CA -0.321 54.605 54.840 0.142 0.000 1.015 290 L CB 0.150 42.287 42.059 0.129 0.000 1.371 290 L HN 0.755 nan 8.230 nan 0.000 0.574 291 A N -0.048 122.838 122.820 0.109 0.000 2.555 291 A HA 0.342 4.659 4.320 -0.005 0.000 0.233 291 A C 1.511 179.144 177.584 0.081 0.000 1.060 291 A CA 0.944 53.002 52.037 0.035 0.000 0.759 291 A CB -0.274 18.688 19.000 -0.063 0.000 0.995 291 A HN 0.671 nan 8.150 nan 0.000 0.506 292 G N 1.419 110.223 108.800 0.005 0.000 2.155 292 G HA2 -0.226 3.731 3.960 -0.005 0.000 0.257 292 G HA3 -0.226 3.731 3.960 -0.005 0.000 0.257 292 G C 0.017 174.924 174.900 0.013 0.000 0.983 292 G CA 0.341 45.457 45.100 0.026 0.000 0.676 292 G HN 0.893 nan 8.290 nan 0.000 0.528 293 N N 0.504 119.198 118.700 -0.010 0.000 2.361 293 N HA 0.548 5.285 4.740 -0.005 0.000 0.302 293 N C 0.138 175.626 175.510 -0.036 0.000 1.074 293 N CA 0.376 53.421 53.050 -0.008 0.000 0.850 293 N CB 1.404 39.901 38.487 0.017 0.000 1.228 293 N HN 0.528 nan 8.380 nan 0.000 0.491 294 E N 2.735 122.925 120.200 -0.018 0.000 1.852 294 E HA 0.171 4.518 4.350 -0.005 0.000 0.276 294 E C 1.121 177.733 176.600 0.020 0.000 1.163 294 E CA -0.147 56.244 56.400 -0.014 0.000 1.117 294 E CB -0.890 28.809 29.700 -0.002 0.000 1.124 294 E HN 0.541 nan 8.360 nan 0.000 0.458 295 L N 0.859 122.102 121.223 0.032 0.000 2.209 295 L HA 0.353 4.690 4.340 -0.005 0.000 0.207 295 L C 1.686 178.668 176.870 0.188 0.000 1.094 295 L CA 0.666 55.581 54.840 0.125 0.000 0.790 295 L CB -0.505 41.681 42.059 0.211 0.000 0.932 295 L HN 0.847 nan 8.230 nan 0.000 0.447 296 G N 0.505 109.439 108.800 0.224 0.000 2.796 296 G HA2 -0.257 3.700 3.960 -0.005 0.000 0.226 296 G HA3 -0.257 3.700 3.960 -0.005 0.000 0.226 296 G C -0.076 175.038 174.900 0.358 0.000 1.381 296 G CA -0.053 45.201 45.100 0.257 0.000 0.867 296 G HN 0.193 nan 8.290 nan 0.000 0.552 297 D N -0.056 120.466 120.400 0.202 0.000 2.269 297 D HA -0.016 4.621 4.640 -0.005 0.000 0.208 297 D C 2.103 178.371 176.300 -0.054 0.000 0.963 297 D CA 1.396 55.422 54.000 0.043 0.000 0.864 297 D CB 0.089 40.903 40.800 0.022 0.000 0.936 297 D HN 0.563 nan 8.370 nan 0.000 0.505 298 E N 1.116 121.318 120.200 0.004 0.000 2.106 298 E HA -0.085 4.262 4.350 -0.005 0.000 0.192 298 E C 2.109 178.694 176.600 -0.025 0.000 0.984 298 E CA 1.481 57.863 56.400 -0.031 0.000 0.806 298 E CB -0.596 29.106 29.700 0.003 0.000 0.750 298 E HN 0.185 nan 8.360 nan 0.000 0.458 299 G N 0.275 109.110 108.800 0.060 0.000 2.402 299 G HA2 -0.186 3.771 3.960 -0.005 0.000 0.216 299 G HA3 -0.186 3.771 3.960 -0.005 0.000 0.216 299 G C 1.724 176.644 174.900 0.034 0.000 1.162 299 G CA 0.920 46.079 45.100 0.099 0.000 0.777 299 G HN 0.441 nan 8.290 nan 0.000 0.539 300 A N 0.533 123.315 122.820 -0.064 0.000 1.933 300 A HA -0.005 4.312 4.320 -0.005 0.000 0.218 300 A C 2.305 179.621 177.584 -0.447 0.000 1.175 300 A CA 1.773 53.573 52.037 -0.395 0.000 0.628 300 A CB -0.454 18.069 19.000 -0.796 0.000 0.814 300 A HN 0.344 nan 8.150 nan 0.000 0.444 301 R N -0.414 119.852 120.500 -0.391 0.000 2.082 301 R HA -0.144 4.194 4.340 -0.005 0.000 0.234 301 R C 2.103 178.245 176.300 -0.263 0.000 1.136 301 R CA 1.947 57.779 56.100 -0.447 0.000 0.935 301 R CB -0.548 29.535 30.300 -0.362 0.000 0.842 301 R HN 0.544 nan 8.270 nan 0.000 0.430 302 L N 0.714 121.843 121.223 -0.157 0.000 2.013 302 L HA -0.257 4.081 4.340 -0.005 0.000 0.212 302 L C 2.582 179.401 176.870 -0.084 0.000 1.073 302 L CA 1.333 56.120 54.840 -0.088 0.000 0.753 302 L CB -0.531 41.503 42.059 -0.042 0.000 0.890 302 L HN 0.296 nan 8.230 nan 0.000 0.432 303 L N -1.059 120.108 121.223 -0.094 0.000 1.989 303 L HA -0.281 4.056 4.340 -0.005 0.000 0.211 303 L C 2.768 179.563 176.870 -0.124 0.000 1.071 303 L CA 1.476 56.274 54.840 -0.070 0.000 0.749 303 L CB -0.575 41.469 42.059 -0.026 0.000 0.890 303 L HN 0.429 nan 8.230 nan 0.000 0.431 304 C N -0.190 118.954 119.300 -0.261 0.000 2.425 304 C HA -0.150 4.307 4.460 -0.005 0.000 0.277 304 C C 2.600 177.523 174.990 -0.111 0.000 1.280 304 C CA 0.664 59.524 59.018 -0.263 0.000 1.744 304 C CB -0.844 26.647 27.740 -0.415 0.000 1.989 304 C HN 0.516 nan 8.230 nan 0.000 0.491 305 E N 0.190 120.339 120.200 -0.085 0.000 2.077 305 E HA -0.168 4.179 4.350 -0.005 0.000 0.193 305 E C 2.126 178.712 176.600 -0.024 0.000 0.989 305 E CA 1.748 58.127 56.400 -0.035 0.000 0.800 305 E CB -0.286 29.395 29.700 -0.031 0.000 0.746 305 E HN 0.619 nan 8.360 nan 0.000 0.452 306 T N 1.529 116.066 114.554 -0.030 0.000 2.777 306 T HA -0.095 4.252 4.350 -0.005 0.000 0.266 306 T C 1.881 176.580 174.700 -0.001 0.000 1.040 306 T CA 0.725 62.817 62.100 -0.013 0.000 1.141 306 T CB -0.146 68.715 68.868 -0.012 0.000 0.868 306 T HN 0.074 nan 8.240 nan 0.000 0.444 307 L N 0.314 121.536 121.223 -0.003 0.000 2.456 307 L HA 0.096 4.433 4.340 -0.005 0.000 0.224 307 L C 1.752 178.648 176.870 0.044 0.000 1.148 307 L CA 0.749 55.605 54.840 0.028 0.000 0.825 307 L CB -0.255 41.821 42.059 0.028 0.000 0.937 307 L HN 0.262 nan 8.230 nan 0.000 0.450 308 L N -1.357 119.879 121.223 0.022 0.000 2.640 308 L HA 0.162 4.500 4.340 -0.005 0.000 0.230 308 L C 0.532 177.423 176.870 0.034 0.000 1.123 308 L CA -0.081 54.776 54.840 0.029 0.000 0.900 308 L CB 0.211 42.275 42.059 0.008 0.000 1.146 308 L HN 0.175 nan 8.230 nan 0.000 0.484 309 E N 0.371 120.589 120.200 0.031 0.000 2.227 309 E HA 0.351 4.698 4.350 -0.005 0.000 0.268 309 E C -2.258 174.366 176.600 0.039 0.000 0.990 309 E CA -2.053 54.363 56.400 0.027 0.000 0.856 309 E CB 0.962 30.669 29.700 0.011 0.000 1.159 309 E HN -0.112 nan 8.360 nan 0.000 0.401 310 P HA 0.154 nan 4.420 nan 0.000 0.274 310 P C 0.509 177.808 177.300 -0.002 0.000 1.237 310 P CA 0.171 63.294 63.100 0.038 0.000 0.793 310 P CB 0.730 32.452 31.700 0.037 0.000 0.977 311 G N -0.144 108.635 108.800 -0.036 0.000 2.345 311 G HA2 -0.249 3.708 3.960 -0.005 0.000 0.218 311 G HA3 -0.249 3.708 3.960 -0.005 0.000 0.218 311 G C 0.203 175.027 174.900 -0.127 0.000 1.058 311 G CA -0.011 45.046 45.100 -0.073 0.000 0.632 311 G HN 0.824 nan 8.290 nan 0.000 0.508 312 C N 2.482 121.717 119.300 -0.108 0.000 2.464 312 C HA 0.711 5.168 4.460 -0.005 0.000 0.370 312 C C 1.180 176.012 174.990 -0.263 0.000 1.267 312 C CA 0.345 59.289 59.018 -0.122 0.000 1.781 312 C CB -0.096 27.619 27.740 -0.042 0.000 2.431 312 C HN 0.536 nan 8.230 nan 0.000 0.556 313 Q N 4.005 123.591 119.800 -0.356 0.000 2.141 313 Q HA 0.177 4.515 4.340 -0.005 0.000 0.248 313 Q C -0.330 175.533 176.000 -0.229 0.000 0.834 313 Q CA -0.568 54.849 55.803 -0.643 0.000 1.096 313 Q CB 0.627 28.828 28.738 -0.895 0.000 1.189 313 Q HN 0.728 nan 8.270 nan 0.000 0.471 314 L N 1.593 122.761 121.223 -0.091 0.000 2.578 314 L HA -0.103 4.234 4.340 -0.005 0.000 0.279 314 L C 0.986 177.874 176.870 0.031 0.000 1.227 314 L CA 1.328 56.153 54.840 -0.025 0.000 0.900 314 L CB 0.586 42.637 42.059 -0.013 0.000 1.144 314 L HN 0.193 nan 8.230 nan 0.000 0.496 315 E N 1.019 121.229 120.200 0.017 0.000 2.201 315 E HA 0.139 4.486 4.350 -0.005 0.000 0.193 315 E C -0.219 176.359 176.600 -0.036 0.000 0.957 315 E CA 0.250 56.676 56.400 0.042 0.000 0.858 315 E CB 0.430 30.168 29.700 0.063 0.000 0.816 315 E HN 0.646 nan 8.360 nan 0.000 0.475 316 S N 0.757 116.364 115.700 -0.156 0.000 2.532 316 S HA 0.499 4.966 4.470 -0.005 0.000 0.299 316 S C -1.339 172.900 174.600 -0.602 0.000 1.105 316 S CA -0.685 57.248 58.200 -0.444 0.000 1.018 316 S CB 2.015 64.824 63.200 -0.652 0.000 1.021 316 S HN 0.060 nan 8.310 nan 0.000 0.483 317 L N 3.399 124.258 121.223 -0.606 0.000 2.404 317 L HA 0.652 4.989 4.340 -0.005 0.000 0.272 317 L C -2.202 174.488 176.870 -0.300 0.000 0.980 317 L CA -0.429 54.176 54.840 -0.393 0.000 0.836 317 L CB 0.627 42.651 42.059 -0.060 0.000 1.238 317 L HN 0.800 nan 8.230 nan 0.000 0.408 318 W N 5.968 127.288 121.300 0.034 0.000 2.278 318 W HA 0.582 5.239 4.660 -0.005 0.000 0.317 318 W C 0.273 176.771 176.519 -0.035 0.000 1.030 318 W CA -1.139 56.172 57.345 -0.057 0.000 1.334 318 W CB 1.222 30.556 29.460 -0.208 0.000 1.215 318 W HN 0.421 nan 8.180 nan 0.000 0.405 319 V N 1.128 121.157 119.914 0.192 0.000 2.804 319 V HA 0.233 4.350 4.120 -0.005 0.000 0.360 319 V C 0.348 176.422 176.094 -0.034 0.000 1.282 319 V CA -1.054 61.313 62.300 0.112 0.000 1.274 319 V CB -0.438 31.571 31.823 0.309 0.000 1.415 319 V HN 0.521 nan 8.190 nan 0.000 0.610 320 K N 1.178 121.553 120.400 -0.042 0.000 2.382 320 K HA 0.243 4.560 4.320 -0.005 0.000 0.275 320 K C 0.728 177.239 176.600 -0.148 0.000 1.009 320 K CA 0.889 57.117 56.287 -0.099 0.000 0.970 320 K CB 0.395 32.810 32.500 -0.142 0.000 0.934 320 K HN 0.655 nan 8.250 nan 0.000 0.479 321 S N 1.974 117.580 115.700 -0.156 0.000 3.524 321 S HA -0.173 4.294 4.470 -0.005 0.000 0.377 321 S C 0.261 174.716 174.600 -0.240 0.000 0.949 321 S CA 0.532 58.634 58.200 -0.163 0.000 1.264 321 S CB -2.124 61.016 63.200 -0.101 0.000 0.918 321 S HN 0.682 nan 8.310 nan 0.000 0.517 322 C N 0.816 119.828 119.300 -0.481 0.000 3.000 322 C HA 0.463 4.920 4.460 -0.005 0.000 0.286 322 C C 1.412 176.084 174.990 -0.530 0.000 1.343 322 C CA 0.114 58.759 59.018 -0.621 0.000 1.742 322 C CB -1.108 25.994 27.740 -1.063 0.000 2.200 322 C HN 0.957 nan 8.230 nan 0.000 0.621 323 S N 0.471 115.982 115.700 -0.315 0.000 3.787 323 S HA -0.139 4.328 4.470 -0.005 0.000 0.321 323 S C -0.321 174.356 174.600 0.129 0.000 1.119 323 S CA 0.248 58.407 58.200 -0.069 0.000 0.918 323 S CB -1.433 61.759 63.200 -0.012 0.000 0.913 323 S HN 0.534 nan 8.310 nan 0.000 0.506 324 F N 2.128 122.113 119.950 0.059 0.000 2.375 324 F HA 0.638 5.162 4.527 -0.005 0.000 0.333 324 F C 1.381 177.220 175.800 0.065 0.000 1.104 324 F CA -0.742 57.307 58.000 0.081 0.000 1.149 324 F CB 0.886 39.949 39.000 0.104 0.000 1.190 324 F HN 0.252 nan 8.300 nan 0.000 0.533 325 T N -1.912 112.804 114.554 0.271 0.000 2.858 325 T HA 0.658 5.005 4.350 -0.005 0.000 0.285 325 T C 0.941 175.726 174.700 0.141 0.000 1.052 325 T CA -0.291 61.908 62.100 0.165 0.000 1.009 325 T CB 1.357 70.296 68.868 0.119 0.000 1.241 325 T HN 0.534 nan 8.240 nan 0.000 0.542 326 A N 0.347 123.231 122.820 0.106 0.000 1.997 326 A HA 0.070 4.387 4.320 -0.005 0.000 0.221 326 A C 2.537 180.180 177.584 0.097 0.000 1.172 326 A CA 2.368 54.462 52.037 0.093 0.000 0.645 326 A CB -1.648 17.395 19.000 0.072 0.000 0.813 326 A HN 1.379 nan 8.150 nan 0.000 0.454 327 A N -0.441 122.434 122.820 0.092 0.000 2.024 327 A HA -0.218 4.099 4.320 -0.005 0.000 0.220 327 A C 2.312 179.962 177.584 0.109 0.000 1.164 327 A CA 1.870 53.960 52.037 0.088 0.000 0.643 327 A CB -1.457 17.585 19.000 0.070 0.000 0.806 327 A HN 1.334 nan 8.150 nan 0.000 0.451 328 C N -3.080 116.279 119.300 0.099 0.000 2.594 328 C HA 0.145 4.602 4.460 -0.005 0.000 0.265 328 C C 2.380 177.502 174.990 0.220 0.000 1.351 328 C CA -0.013 59.052 59.018 0.077 0.000 1.744 328 C CB -2.134 25.563 27.740 -0.071 0.000 1.890 328 C HN 0.602 nan 8.230 nan 0.000 0.551 329 C N 2.545 121.974 119.300 0.214 0.000 2.419 329 C HA -0.079 4.378 4.460 -0.005 0.000 0.281 329 C C 3.238 178.329 174.990 0.168 0.000 1.336 329 C CA 1.921 61.074 59.018 0.225 0.000 1.770 329 C CB -1.380 26.445 27.740 0.141 0.000 1.929 329 C HN 0.874 nan 8.230 nan 0.000 0.509 330 S N 0.391 116.157 115.700 0.110 0.000 2.383 330 S HA -0.200 4.267 4.470 -0.005 0.000 0.227 330 S C 1.324 175.861 174.600 -0.105 0.000 1.026 330 S CA 1.620 59.812 58.200 -0.013 0.000 0.981 330 S CB -0.728 62.425 63.200 -0.079 0.000 0.818 330 S HN 0.742 nan 8.310 nan 0.000 0.472 331 H N 0.141 119.171 119.070 -0.066 0.000 2.403 331 H HA 0.268 4.821 4.556 -0.005 0.000 0.298 331 H C 1.508 176.720 175.328 -0.194 0.000 1.059 331 H CA 1.359 57.306 56.048 -0.168 0.000 1.363 331 H CB -0.437 29.149 29.762 -0.294 0.000 1.410 331 H HN 0.377 nan 8.280 nan 0.000 0.528 332 F N 0.070 120.057 119.950 0.062 0.000 2.234 332 F HA -0.166 4.359 4.527 -0.005 0.000 0.299 332 F C 2.740 178.548 175.800 0.013 0.000 1.087 332 F CA 1.220 59.231 58.000 0.019 0.000 1.340 332 F CB -0.443 38.556 39.000 -0.001 0.000 1.031 332 F HN 0.092 nan 8.300 nan 0.000 0.500 333 S N -0.760 115.042 115.700 0.169 0.000 2.382 333 S HA -0.177 4.290 4.470 -0.005 0.000 0.228 333 S C 2.341 176.967 174.600 0.044 0.000 1.027 333 S CA 1.792 60.044 58.200 0.088 0.000 0.991 333 S CB -0.396 62.832 63.200 0.047 0.000 0.823 333 S HN 0.323 nan 8.310 nan 0.000 0.469 334 S N 0.704 116.408 115.700 0.006 0.000 2.368 334 S HA -0.045 4.423 4.470 -0.005 0.000 0.224 334 S C 1.899 176.504 174.600 0.009 0.000 1.029 334 S CA 1.281 59.471 58.200 -0.016 0.000 0.988 334 S CB -0.449 62.715 63.200 -0.060 0.000 0.838 334 S HN 0.437 nan 8.310 nan 0.000 0.462 335 V N 2.359 122.290 119.914 0.028 0.000 2.343 335 V HA -0.142 3.976 4.120 -0.005 0.000 0.247 335 V C 2.139 178.273 176.094 0.067 0.000 1.051 335 V CA 1.480 63.810 62.300 0.050 0.000 1.036 335 V CB -0.811 31.058 31.823 0.076 0.000 0.654 335 V HN 0.430 nan 8.190 nan 0.000 0.451 336 L N -0.000 121.274 121.223 0.085 0.000 2.201 336 L HA -0.103 4.235 4.340 -0.005 0.000 0.212 336 L C 2.568 179.458 176.870 0.032 0.000 1.105 336 L CA 1.348 56.227 54.840 0.065 0.000 0.775 336 L CB -0.665 41.438 42.059 0.073 0.000 0.913 336 L HN 0.369 nan 8.230 nan 0.000 0.440 337 A N -0.870 121.965 122.820 0.023 0.000 1.943 337 A HA -0.087 4.230 4.320 -0.005 0.000 0.213 337 A C 2.196 179.779 177.584 -0.001 0.000 1.181 337 A CA 0.720 52.762 52.037 0.008 0.000 0.653 337 A CB -0.057 18.945 19.000 0.003 0.000 0.833 337 A HN 0.381 nan 8.150 nan 0.000 0.451 338 Q N -0.487 119.314 119.800 0.002 0.000 2.159 338 Q HA 0.036 4.373 4.340 -0.005 0.000 0.194 338 Q C 0.525 176.520 176.000 -0.008 0.000 0.968 338 Q CA -0.130 55.671 55.803 -0.004 0.000 0.837 338 Q CB -0.083 28.655 28.738 0.001 0.000 0.920 338 Q HN 0.580 nan 8.270 nan 0.000 0.485 339 N N 1.502 120.211 118.700 0.015 0.000 2.357 339 N HA -0.102 4.635 4.740 -0.005 0.000 0.257 339 N C -0.100 175.384 175.510 -0.042 0.000 1.250 339 N CA 0.608 53.676 53.050 0.029 0.000 0.862 339 N CB 0.537 39.073 38.487 0.083 0.000 1.066 339 N HN 0.163 nan 8.380 nan 0.000 0.468 340 R N 3.511 123.906 120.500 -0.175 0.000 2.546 340 R HA 0.120 4.457 4.340 -0.005 0.000 0.320 340 R C 0.126 176.120 176.300 -0.509 0.000 1.021 340 R CA -0.053 55.841 56.100 -0.343 0.000 1.088 340 R CB 0.051 30.085 30.300 -0.443 0.000 1.278 340 R HN 0.525 nan 8.270 nan 0.000 0.557 341 F N -0.295 119.664 119.950 0.015 0.000 2.667 341 F HA 0.179 4.703 4.527 -0.005 0.000 0.288 341 F C 0.873 176.681 175.800 0.013 0.000 1.086 341 F CA -0.515 57.493 58.000 0.014 0.000 1.297 341 F CB 0.106 39.113 39.000 0.011 0.000 1.059 341 F HN -0.123 nan 8.300 nan 0.000 0.624 342 L N 1.686 123.020 121.223 0.185 0.000 2.500 342 L HA 0.117 4.454 4.340 -0.005 0.000 0.272 342 L C 0.290 177.204 176.870 0.074 0.000 1.149 342 L CA 0.636 55.543 54.840 0.111 0.000 0.897 342 L CB 0.148 42.270 42.059 0.105 0.000 1.178 342 L HN 0.183 nan 8.230 nan 0.000 0.473 343 L N 3.442 124.703 121.223 0.063 0.000 2.701 343 L HA 0.382 4.720 4.340 -0.005 0.000 0.238 343 L C 0.333 177.240 176.870 0.062 0.000 1.106 343 L CA 0.002 54.876 54.840 0.056 0.000 0.898 343 L CB 0.138 42.236 42.059 0.064 0.000 1.188 343 L HN 0.566 nan 8.230 nan 0.000 0.508 344 E N 1.309 121.546 120.200 0.061 0.000 2.260 344 E HA 0.476 4.824 4.350 -0.005 0.000 0.266 344 E C -1.747 174.918 176.600 0.107 0.000 0.887 344 E CA -0.518 55.959 56.400 0.129 0.000 0.777 344 E CB 3.150 32.967 29.700 0.194 0.000 1.205 344 E HN -0.146 nan 8.360 nan 0.000 0.414 345 L N 3.271 124.627 121.223 0.221 0.000 2.406 345 L HA 0.305 4.642 4.340 -0.005 0.000 0.272 345 L C -1.293 175.849 176.870 0.454 0.000 0.980 345 L CA -0.238 54.735 54.840 0.221 0.000 0.831 345 L CB 1.831 43.956 42.059 0.109 0.000 1.253 345 L HN 0.492 nan 8.230 nan 0.000 0.406 346 Q N 5.608 125.708 119.800 0.499 0.000 2.400 346 Q HA 0.481 4.818 4.340 -0.005 0.000 0.255 346 Q C -0.464 175.665 176.000 0.215 0.000 1.008 346 Q CA -0.352 55.740 55.803 0.481 0.000 0.841 346 Q CB 0.864 29.741 28.738 0.231 0.000 1.220 346 Q HN 0.879 nan 8.270 nan 0.000 0.474 347 I N 0.446 121.114 120.570 0.162 0.000 3.936 347 I HA 0.240 4.407 4.170 -0.005 0.000 0.330 347 I C 0.077 176.236 176.117 0.070 0.000 1.509 347 I CA -0.640 60.706 61.300 0.075 0.000 1.126 347 I CB 0.709 38.694 38.000 -0.025 0.000 1.115 347 I HN 0.246 nan 8.210 nan 0.000 0.424 348 S N 1.787 117.536 115.700 0.082 0.000 2.560 348 S HA 0.034 4.501 4.470 -0.005 0.000 0.276 348 S C 0.819 175.421 174.600 0.003 0.000 1.350 348 S CA -0.022 58.211 58.200 0.055 0.000 1.024 348 S CB -0.058 63.170 63.200 0.047 0.000 0.864 348 S HN 0.648 nan 8.310 nan 0.000 0.536 349 N N 0.776 119.480 118.700 0.006 0.000 2.735 349 N HA -0.187 4.550 4.740 -0.005 0.000 0.248 349 N C -1.250 174.247 175.510 -0.021 0.000 1.083 349 N CA 0.292 53.334 53.050 -0.015 0.000 0.703 349 N CB -1.109 37.351 38.487 -0.044 0.000 1.005 349 N HN 0.527 nan 8.380 nan 0.000 0.550 350 N N 0.583 119.291 118.700 0.014 0.000 2.258 350 N HA 0.199 4.936 4.740 -0.005 0.000 0.299 350 N C -0.286 175.266 175.510 0.069 0.000 1.047 350 N CA -0.481 52.593 53.050 0.041 0.000 0.814 350 N CB 1.392 39.940 38.487 0.101 0.000 1.413 350 N HN 0.053 nan 8.380 nan 0.000 0.478 351 R N 2.792 123.336 120.500 0.074 0.000 3.268 351 R HA 0.195 4.532 4.340 -0.005 0.000 0.217 351 R C 0.907 177.260 176.300 0.089 0.000 1.568 351 R CA 0.045 56.187 56.100 0.070 0.000 1.322 351 R CB -0.172 30.164 30.300 0.059 0.000 1.280 351 R HN 0.496 nan 8.270 nan 0.000 0.667 352 L N 0.707 121.982 121.223 0.087 0.000 2.375 352 L HA 0.028 4.365 4.340 -0.005 0.000 0.215 352 L C 0.457 177.368 176.870 0.068 0.000 1.108 352 L CA 0.282 55.176 54.840 0.089 0.000 0.830 352 L CB -0.286 41.823 42.059 0.084 0.000 0.959 352 L HN 0.505 nan 8.230 nan 0.000 0.457 353 E N 0.187 120.422 120.200 0.058 0.000 9.227 353 E HA -0.258 4.089 4.350 -0.005 0.000 0.395 353 E C -0.362 176.264 176.600 0.045 0.000 1.429 353 E CA 0.779 57.208 56.400 0.049 0.000 2.482 353 E CB -0.587 29.141 29.700 0.047 0.000 1.056 353 E HN 0.257 nan 8.360 nan 0.000 0.417 354 D N -0.018 120.405 120.400 0.038 0.000 2.263 354 D HA -0.074 4.563 4.640 -0.005 0.000 0.208 354 D C 1.737 178.057 176.300 0.032 0.000 0.971 354 D CA 1.520 55.540 54.000 0.033 0.000 0.867 354 D CB -0.116 40.701 40.800 0.029 0.000 0.929 354 D HN 0.483 nan 8.370 nan 0.000 0.492 355 A N 1.481 124.323 122.820 0.036 0.000 1.835 355 A HA -0.043 4.274 4.320 -0.005 0.000 0.215 355 A C 2.473 180.082 177.584 0.042 0.000 1.199 355 A CA 2.027 54.086 52.037 0.036 0.000 0.615 355 A CB -1.250 17.773 19.000 0.038 0.000 0.838 355 A HN 0.281 nan 8.150 nan 0.000 0.444 356 G N -0.696 108.135 108.800 0.053 0.000 2.440 356 G HA2 -0.149 3.809 3.960 -0.005 0.000 0.218 356 G HA3 -0.149 3.809 3.960 -0.005 0.000 0.218 356 G C 1.490 176.423 174.900 0.056 0.000 1.154 356 G CA 1.368 46.506 45.100 0.064 0.000 0.767 356 G HN 0.342 nan 8.290 nan 0.000 0.552 357 V N 1.147 121.088 119.914 0.045 0.000 2.427 357 V HA -0.099 4.018 4.120 -0.005 0.000 0.248 357 V C 3.465 179.576 176.094 0.027 0.000 1.051 357 V CA 2.524 64.845 62.300 0.035 0.000 1.048 357 V CB -0.902 30.940 31.823 0.031 0.000 0.666 357 V HN 0.568 nan 8.190 nan 0.000 0.456 358 R N 0.618 121.134 120.500 0.026 0.000 2.083 358 R HA -0.243 4.094 4.340 -0.005 0.000 0.237 358 R C 2.034 178.346 176.300 0.020 0.000 1.137 358 R CA 2.040 58.151 56.100 0.019 0.000 0.951 358 R CB -1.189 29.122 30.300 0.017 0.000 0.851 358 R HN 0.774 nan 8.270 nan 0.000 0.434 359 E N 0.913 121.129 120.200 0.028 0.000 2.047 359 E HA -0.065 4.282 4.350 -0.005 0.000 0.191 359 E C 2.274 178.897 176.600 0.038 0.000 0.987 359 E CA 1.168 57.586 56.400 0.030 0.000 0.799 359 E CB -0.295 29.428 29.700 0.038 0.000 0.752 359 E HN 0.473 nan 8.360 nan 0.000 0.449 360 L N 0.816 122.069 121.223 0.049 0.000 2.043 360 L HA -0.248 4.089 4.340 -0.005 0.000 0.212 360 L C 2.641 179.530 176.870 0.033 0.000 1.075 360 L CA 0.899 55.772 54.840 0.055 0.000 0.752 360 L CB -0.567 41.519 42.059 0.044 0.000 0.891 360 L HN 0.348 nan 8.230 nan 0.000 0.432 361 C N -0.496 118.815 119.300 0.020 0.000 2.411 361 C HA -0.156 4.301 4.460 -0.005 0.000 0.279 361 C C 2.862 177.854 174.990 0.004 0.000 1.288 361 C CA 0.585 59.606 59.018 0.006 0.000 1.764 361 C CB -0.770 26.970 27.740 0.001 0.000 1.974 361 C HN 0.539 nan 8.230 nan 0.000 0.498 362 Q N 0.237 120.042 119.800 0.009 0.000 1.967 362 Q HA -0.120 4.217 4.340 -0.005 0.000 0.202 362 Q C 2.579 178.582 176.000 0.005 0.000 0.985 362 Q CA 2.018 57.824 55.803 0.004 0.000 0.839 362 Q CB -0.886 27.855 28.738 0.004 0.000 0.906 362 Q HN 0.728 nan 8.270 nan 0.000 0.423 363 G N 1.599 110.407 108.800 0.013 0.000 2.440 363 G HA2 -0.245 3.712 3.960 -0.005 0.000 0.218 363 G HA3 -0.245 3.712 3.960 -0.005 0.000 0.218 363 G C 1.469 176.377 174.900 0.013 0.000 1.154 363 G CA 0.453 45.562 45.100 0.015 0.000 0.767 363 G HN 0.184 nan 8.290 nan 0.000 0.552 364 L N 0.669 121.900 121.223 0.013 0.000 2.131 364 L HA -0.018 4.319 4.340 -0.005 0.000 0.210 364 L C 2.852 179.717 176.870 -0.007 0.000 1.092 364 L CA 1.279 56.121 54.840 0.004 0.000 0.759 364 L CB -0.530 41.528 42.059 -0.002 0.000 0.903 364 L HN 0.375 nan 8.230 nan 0.000 0.435 365 G N -1.142 107.652 108.800 -0.010 0.000 2.848 365 G HA2 -0.088 3.869 3.960 -0.005 0.000 0.208 365 G HA3 -0.088 3.869 3.960 -0.005 0.000 0.208 365 G C 0.835 175.732 174.900 -0.005 0.000 1.152 365 G CA -0.268 44.822 45.100 -0.016 0.000 0.789 365 G HN 0.340 nan 8.290 nan 0.000 0.531 366 Q N 0.486 120.287 119.800 0.001 0.000 2.471 366 Q HA 0.190 4.527 4.340 -0.005 0.000 0.223 366 Q C -2.220 173.789 176.000 0.014 0.000 1.045 366 Q CA -1.267 54.539 55.803 0.005 0.000 0.956 366 Q CB 0.863 29.602 28.738 0.002 0.000 1.249 366 Q HN 0.142 nan 8.270 nan 0.000 0.549 367 P HA 0.115 nan 4.420 nan 0.000 0.284 367 P C 0.198 177.503 177.300 0.008 0.000 1.253 367 P CA 0.310 63.423 63.100 0.021 0.000 0.800 367 P CB 1.085 32.792 31.700 0.013 0.000 0.961 368 G N 1.911 110.716 108.800 0.009 0.000 2.253 368 G HA2 -0.278 3.679 3.960 -0.005 0.000 0.251 368 G HA3 -0.278 3.679 3.960 -0.005 0.000 0.251 368 G C 0.356 175.249 174.900 -0.012 0.000 0.998 368 G CA 0.337 45.431 45.100 -0.010 0.000 0.621 368 G HN 0.910 nan 8.290 nan 0.000 0.524 369 S N 0.046 115.745 115.700 -0.000 0.000 2.558 369 S HA 0.349 4.816 4.470 -0.005 0.000 0.293 369 S C 1.441 176.040 174.600 -0.001 0.000 1.292 369 S CA 0.625 58.824 58.200 -0.002 0.000 1.063 369 S CB 1.694 64.897 63.200 0.005 0.000 0.831 369 S HN 1.801 nan 8.310 nan 0.000 0.499 370 V N 0.732 120.640 119.914 -0.009 0.000 3.528 370 V HA 0.405 4.522 4.120 -0.005 0.000 0.294 370 V C 0.492 176.587 176.094 0.002 0.000 1.404 370 V CA -0.503 61.792 62.300 -0.009 0.000 1.065 370 V CB -0.677 31.128 31.823 -0.031 0.000 0.904 370 V HN 0.739 nan 8.190 nan 0.000 0.435 371 L N 2.033 123.260 121.223 0.007 0.000 2.615 371 L HA 0.130 4.468 4.340 -0.005 0.000 0.284 371 L C 1.597 178.464 176.870 -0.005 0.000 1.237 371 L CA 1.138 55.983 54.840 0.009 0.000 0.905 371 L CB 0.255 42.319 42.059 0.009 0.000 1.149 371 L HN 0.262 nan 8.230 nan 0.000 0.499 372 R N 2.596 123.095 120.500 -0.002 0.000 2.195 372 R HA 0.280 4.618 4.340 -0.005 0.000 0.197 372 R C -0.734 175.527 176.300 -0.064 0.000 0.990 372 R CA 0.193 56.283 56.100 -0.017 0.000 1.048 372 R CB 0.608 30.914 30.300 0.010 0.000 0.997 372 R HN 0.459 nan 8.270 nan 0.000 0.502 373 V N 2.063 121.932 119.914 -0.076 0.000 2.577 373 V HA 0.355 4.472 4.120 -0.005 0.000 0.303 373 V C -1.291 174.640 176.094 -0.273 0.000 1.042 373 V CA -0.936 61.225 62.300 -0.232 0.000 0.872 373 V CB 2.072 33.774 31.823 -0.202 0.000 0.998 373 V HN -0.020 nan 8.190 nan 0.000 0.423 374 L N 5.174 126.157 121.223 -0.399 0.000 2.376 374 L HA 0.742 5.080 4.340 -0.005 0.000 0.275 374 L C -1.707 174.970 176.870 -0.322 0.000 0.987 374 L CA -0.302 54.391 54.840 -0.247 0.000 0.828 374 L CB 1.702 43.697 42.059 -0.107 0.000 1.249 374 L HN 0.674 nan 8.230 nan 0.000 0.409 375 W N 6.654 127.986 121.300 0.053 0.000 2.294 375 W HA 0.579 5.236 4.660 -0.005 0.000 0.314 375 W C -0.052 176.481 176.519 0.022 0.000 1.044 375 W CA -0.417 56.951 57.345 0.039 0.000 1.284 375 W CB 0.844 30.332 29.460 0.047 0.000 1.231 375 W HN 0.299 nan 8.180 nan 0.000 0.419 376 L N 3.785 125.123 121.223 0.191 0.000 3.209 376 L HA 0.432 4.769 4.340 -0.005 0.000 0.279 376 L C 0.923 177.863 176.870 0.117 0.000 1.301 376 L CA -0.542 54.372 54.840 0.123 0.000 1.004 376 L CB -0.352 41.748 42.059 0.069 0.000 1.402 376 L HN 0.545 nan 8.230 nan 0.000 0.577 377 A N -0.223 122.687 122.820 0.150 0.000 2.462 377 A HA 0.159 4.476 4.320 -0.005 0.000 0.243 377 A C 0.652 178.284 177.584 0.081 0.000 1.076 377 A CA 0.115 52.226 52.037 0.123 0.000 0.773 377 A CB 0.085 19.170 19.000 0.143 0.000 1.010 377 A HN 0.540 nan 8.150 nan 0.000 0.493 378 D N 0.307 120.749 120.400 0.070 0.000 2.735 378 D HA -0.170 4.468 4.640 -0.005 0.000 0.235 378 D C 0.168 176.496 176.300 0.046 0.000 1.175 378 D CA 1.174 55.204 54.000 0.049 0.000 0.683 378 D CB -1.398 39.419 40.800 0.029 0.000 1.008 378 D HN 0.456 nan 8.370 nan 0.000 0.416 379 C N 0.763 120.096 119.300 0.055 0.000 2.881 379 C HA 0.305 4.762 4.460 -0.005 0.000 0.290 379 C C 1.058 176.079 174.990 0.052 0.000 1.362 379 C CA 0.169 59.219 59.018 0.054 0.000 1.757 379 C CB -1.236 26.540 27.740 0.060 0.000 2.265 379 C HN 0.734 nan 8.230 nan 0.000 0.600 380 D N -0.223 120.206 120.400 0.048 0.000 2.947 380 D HA -0.142 4.495 4.640 -0.005 0.000 0.224 380 D C -0.316 176.011 176.300 0.045 0.000 1.132 380 D CA 0.291 54.318 54.000 0.045 0.000 0.801 380 D CB -0.688 40.136 40.800 0.040 0.000 1.097 380 D HN 0.271 nan 8.370 nan 0.000 0.431 381 V N 0.864 120.807 119.914 0.048 0.000 2.546 381 V HA 0.632 4.749 4.120 -0.005 0.000 0.284 381 V C 0.993 177.115 176.094 0.047 0.000 1.050 381 V CA 0.302 62.629 62.300 0.045 0.000 0.981 381 V CB 1.606 33.457 31.823 0.046 0.000 0.990 381 V HN 0.391 nan 8.190 nan 0.000 0.474 382 S N 1.760 117.484 115.700 0.041 0.000 2.806 382 S HA 0.554 5.022 4.470 -0.005 0.000 0.315 382 S C 1.048 175.670 174.600 0.036 0.000 1.127 382 S CA 0.045 58.270 58.200 0.042 0.000 0.918 382 S CB 1.239 64.462 63.200 0.038 0.000 1.240 382 S HN 0.762 nan 8.310 nan 0.000 0.552 383 D N 0.604 121.026 120.400 0.036 0.000 2.265 383 D HA -0.039 4.598 4.640 -0.005 0.000 0.208 383 D C 1.810 178.121 176.300 0.018 0.000 0.977 383 D CA 1.684 55.700 54.000 0.027 0.000 0.871 383 D CB -0.886 39.930 40.800 0.028 0.000 0.925 383 D HN 0.455 nan 8.370 nan 0.000 0.485 384 S N 0.016 115.728 115.700 0.021 0.000 2.383 384 S HA -0.108 4.360 4.470 -0.005 0.000 0.229 384 S C 2.316 176.924 174.600 0.013 0.000 1.030 384 S CA 1.474 59.684 58.200 0.017 0.000 1.002 384 S CB -0.036 63.175 63.200 0.020 0.000 0.829 384 S HN 0.617 nan 8.310 nan 0.000 0.467 385 S N 0.039 115.748 115.700 0.015 0.000 2.501 385 S HA 0.024 4.491 4.470 -0.005 0.000 0.220 385 S C 1.778 176.380 174.600 0.003 0.000 0.997 385 S CA 0.124 58.331 58.200 0.011 0.000 0.919 385 S CB -0.250 62.961 63.200 0.017 0.000 0.778 385 S HN 0.579 nan 8.310 nan 0.000 0.523 386 C N 2.419 121.720 119.300 0.001 0.000 2.409 386 C HA -0.034 4.423 4.460 -0.005 0.000 0.288 386 C C 2.774 177.754 174.990 -0.017 0.000 1.395 386 C CA 0.817 59.829 59.018 -0.010 0.000 1.792 386 C CB -1.527 26.207 27.740 -0.010 0.000 1.847 386 C HN 0.602 nan 8.230 nan 0.000 0.534 387 S N 0.873 116.566 115.700 -0.012 0.000 2.388 387 S HA -0.088 4.379 4.470 -0.005 0.000 0.223 387 S C 1.935 176.525 174.600 -0.017 0.000 1.034 387 S CA 1.350 59.541 58.200 -0.015 0.000 0.963 387 S CB -0.349 62.845 63.200 -0.010 0.000 0.827 387 S HN 0.702 nan 8.310 nan 0.000 0.481 388 S N 2.371 118.064 115.700 -0.012 0.000 2.383 388 S HA 0.102 4.569 4.470 -0.005 0.000 0.227 388 S C 1.804 176.393 174.600 -0.019 0.000 1.026 388 S CA 0.758 58.950 58.200 -0.012 0.000 0.981 388 S CB -0.443 62.754 63.200 -0.005 0.000 0.818 388 S HN 0.285 nan 8.310 nan 0.000 0.472 389 L N 1.238 122.449 121.223 -0.020 0.000 2.109 389 L HA -0.029 4.308 4.340 -0.005 0.000 0.207 389 L C 2.808 179.654 176.870 -0.041 0.000 1.086 389 L CA 1.073 55.896 54.840 -0.028 0.000 0.760 389 L CB -0.653 41.391 42.059 -0.025 0.000 0.910 389 L HN 0.331 nan 8.230 nan 0.000 0.437 390 A N -0.042 122.754 122.820 -0.040 0.000 1.908 390 A HA -0.201 4.116 4.320 -0.005 0.000 0.218 390 A C 2.486 180.040 177.584 -0.050 0.000 1.181 390 A CA 1.904 53.912 52.037 -0.048 0.000 0.627 390 A CB -0.732 18.243 19.000 -0.043 0.000 0.818 390 A HN 0.404 nan 8.150 nan 0.000 0.445 391 A N -1.295 121.500 122.820 -0.042 0.000 1.897 391 A HA -0.017 4.301 4.320 -0.005 0.000 0.215 391 A C 2.276 179.827 177.584 -0.055 0.000 1.181 391 A CA 2.081 54.092 52.037 -0.043 0.000 0.620 391 A CB -1.237 17.744 19.000 -0.031 0.000 0.821 391 A HN 0.407 nan 8.150 nan 0.000 0.443 392 T N 0.615 115.138 114.554 -0.051 0.000 2.759 392 T HA -0.120 4.227 4.350 -0.005 0.000 0.269 392 T C 1.696 176.343 174.700 -0.089 0.000 1.042 392 T CA 1.422 63.487 62.100 -0.058 0.000 1.140 392 T CB -0.390 68.451 68.868 -0.044 0.000 0.864 392 T HN 0.342 nan 8.240 nan 0.000 0.455 393 L N -0.010 121.159 121.223 -0.090 0.000 2.265 393 L HA 0.020 4.357 4.340 -0.005 0.000 0.215 393 L C 2.109 178.886 176.870 -0.156 0.000 1.117 393 L CA 0.895 55.669 54.840 -0.112 0.000 0.782 393 L CB -0.222 41.783 42.059 -0.091 0.000 0.914 393 L HN 0.304 nan 8.230 nan 0.000 0.441 394 L N -2.079 119.057 121.223 -0.144 0.000 2.388 394 L HA 0.096 4.433 4.340 -0.005 0.000 0.209 394 L C 2.641 179.376 176.870 -0.224 0.000 1.061 394 L CA 0.556 55.294 54.840 -0.170 0.000 0.834 394 L CB -0.336 41.667 42.059 -0.092 0.000 1.029 394 L HN 0.124 nan 8.230 nan 0.000 0.473 395 A N 0.181 122.912 122.820 -0.149 0.000 1.855 395 A HA -0.148 4.170 4.320 -0.005 0.000 0.215 395 A C 1.295 178.788 177.584 -0.152 0.000 1.191 395 A CA 0.982 52.958 52.037 -0.101 0.000 0.613 395 A CB -0.575 18.394 19.000 -0.050 0.000 0.829 395 A HN 0.444 nan 8.150 nan 0.000 0.442 396 N N -0.790 117.806 118.700 -0.174 0.000 2.525 396 N HA 0.104 4.842 4.740 -0.005 0.000 0.271 396 N C -0.376 174.945 175.510 -0.316 0.000 1.194 396 N CA 0.202 53.167 53.050 -0.141 0.000 0.964 396 N CB 0.458 38.893 38.487 -0.087 0.000 1.126 396 N HN 0.410 nan 8.380 nan 0.000 0.452 397 H N -0.389 118.667 119.070 -0.024 0.000 3.058 397 H HA 0.140 4.693 4.556 -0.005 0.000 0.266 397 H C 1.203 176.516 175.328 -0.025 0.000 1.135 397 H CA 0.056 56.090 56.048 -0.024 0.000 1.174 397 H CB 0.694 30.443 29.762 -0.022 0.000 1.581 397 H HN 0.648 nan 8.280 nan 0.000 0.553 398 S N -0.185 115.544 115.700 0.049 0.000 2.441 398 S HA 0.094 4.561 4.470 -0.005 0.000 0.224 398 S C 0.864 175.460 174.600 -0.007 0.000 1.043 398 S CA -0.272 57.942 58.200 0.024 0.000 0.948 398 S CB 0.129 63.337 63.200 0.014 0.000 0.810 398 S HN 0.156 nan 8.310 nan 0.000 0.504 399 L N 2.268 123.471 121.223 -0.033 0.000 2.559 399 L HA 0.130 4.467 4.340 -0.005 0.000 0.282 399 L C 1.487 178.323 176.870 -0.057 0.000 1.232 399 L CA 0.079 54.884 54.840 -0.057 0.000 0.885 399 L CB 0.357 42.370 42.059 -0.077 0.000 1.131 399 L HN 0.332 nan 8.230 nan 0.000 0.498 400 R N 1.718 122.177 120.500 -0.069 0.000 2.513 400 R HA 0.208 4.545 4.340 -0.005 0.000 0.245 400 R C -0.237 176.006 176.300 -0.095 0.000 0.908 400 R CA 0.068 56.131 56.100 -0.062 0.000 1.023 400 R CB 0.864 31.142 30.300 -0.038 0.000 1.338 400 R HN 0.649 nan 8.270 nan 0.000 0.575 401 E N 0.783 120.896 120.200 -0.146 0.000 2.304 401 E HA 0.395 4.743 4.350 -0.005 0.000 0.277 401 E C -1.842 174.586 176.600 -0.285 0.000 0.898 401 E CA -0.680 55.592 56.400 -0.213 0.000 0.764 401 E CB 1.553 31.094 29.700 -0.265 0.000 1.216 401 E HN -0.110 nan 8.360 nan 0.000 0.419 402 L N 3.748 124.825 121.223 -0.244 0.000 2.436 402 L HA 0.556 4.893 4.340 -0.005 0.000 0.268 402 L C -1.842 174.926 176.870 -0.169 0.000 0.974 402 L CA -0.439 54.271 54.840 -0.217 0.000 0.826 402 L CB 1.968 43.947 42.059 -0.132 0.000 1.291 402 L HN 0.587 nan 8.230 nan 0.000 0.406 403 D N 4.427 124.749 120.400 -0.130 0.000 2.425 403 D HA 0.390 5.027 4.640 -0.005 0.000 0.240 403 D C -0.306 176.043 176.300 0.082 0.000 1.080 403 D CA -0.009 54.011 54.000 0.035 0.000 0.836 403 D CB 1.163 42.107 40.800 0.240 0.000 1.125 403 D HN 0.641 nan 8.370 nan 0.000 0.525 404 L N 2.221 123.490 121.223 0.076 0.000 3.122 404 L HA 0.235 4.572 4.340 -0.005 0.000 0.274 404 L C 0.428 177.368 176.870 0.115 0.000 1.222 404 L CA -0.293 54.597 54.840 0.082 0.000 1.028 404 L CB 0.458 42.548 42.059 0.051 0.000 1.386 404 L HN 0.203 nan 8.230 nan 0.000 0.578 405 S N 0.442 116.232 115.700 0.149 0.000 2.558 405 S HA -0.038 4.429 4.470 -0.005 0.000 0.287 405 S C 0.694 175.376 174.600 0.137 0.000 1.321 405 S CA 0.138 58.445 58.200 0.178 0.000 1.048 405 S CB 0.074 63.423 63.200 0.248 0.000 0.844 405 S HN 0.589 nan 8.310 nan 0.000 0.512 406 N N 0.858 119.635 118.700 0.129 0.000 2.735 406 N HA -0.174 4.563 4.740 -0.005 0.000 0.248 406 N C -1.179 174.379 175.510 0.079 0.000 1.083 406 N CA 0.461 53.563 53.050 0.088 0.000 0.703 406 N CB -1.044 37.480 38.487 0.062 0.000 1.005 406 N HN 0.443 nan 8.380 nan 0.000 0.550 407 N N -0.057 118.699 118.700 0.093 0.000 2.314 407 N HA 0.347 5.084 4.740 -0.005 0.000 0.304 407 N C 0.145 175.708 175.510 0.089 0.000 1.073 407 N CA -0.643 52.456 53.050 0.082 0.000 0.822 407 N CB 0.997 39.532 38.487 0.080 0.000 1.280 407 N HN 0.285 nan 8.380 nan 0.000 0.489 408 C N 1.542 120.887 119.300 0.075 0.000 3.479 408 C HA 0.335 4.792 4.460 -0.005 0.000 0.546 408 C C 1.041 176.082 174.990 0.084 0.000 1.207 408 C CA -1.050 58.016 59.018 0.079 0.000 1.334 408 C CB -2.527 25.249 27.740 0.061 0.000 1.611 408 C HN 0.369 nan 8.230 nan 0.000 0.640 409 L N 1.400 122.682 121.223 0.099 0.000 2.436 409 L HA 0.626 4.963 4.340 -0.005 0.000 0.265 409 L C 1.077 178.016 176.870 0.116 0.000 1.168 409 L CA 0.491 55.388 54.840 0.094 0.000 0.815 409 L CB 0.481 42.596 42.059 0.093 0.000 1.109 409 L HN 0.601 nan 8.230 nan 0.000 0.462 410 G N -0.258 108.598 108.800 0.093 0.000 3.175 410 G HA2 0.199 4.156 3.960 -0.005 0.000 0.255 410 G HA3 0.199 4.156 3.960 -0.005 0.000 0.255 410 G C -0.102 174.845 174.900 0.078 0.000 1.352 410 G CA -0.242 44.922 45.100 0.107 0.000 1.037 410 G HN 0.543 nan 8.290 nan 0.000 0.556 411 D N -0.328 120.112 120.400 0.066 0.000 2.123 411 D HA -0.080 4.557 4.640 -0.005 0.000 0.196 411 D C 2.669 178.963 176.300 -0.010 0.000 0.992 411 D CA 1.686 55.697 54.000 0.019 0.000 0.833 411 D CB -0.195 40.617 40.800 0.020 0.000 0.954 411 D HN 0.360 nan 8.370 nan 0.000 0.455 412 A N 0.304 123.129 122.820 0.009 0.000 1.851 412 A HA -0.056 4.261 4.320 -0.005 0.000 0.216 412 A C 2.399 179.974 177.584 -0.014 0.000 1.195 412 A CA 2.277 54.313 52.037 -0.002 0.000 0.622 412 A CB -1.234 17.773 19.000 0.012 0.000 0.831 412 A HN 0.320 nan 8.150 nan 0.000 0.444 413 G N -0.281 108.518 108.800 -0.002 0.000 2.418 413 G HA2 -0.165 3.792 3.960 -0.005 0.000 0.217 413 G HA3 -0.165 3.792 3.960 -0.005 0.000 0.217 413 G C 1.534 176.410 174.900 -0.041 0.000 1.158 413 G CA 1.114 46.208 45.100 -0.010 0.000 0.771 413 G HN 0.470 nan 8.290 nan 0.000 0.545 414 I N -0.090 120.444 120.570 -0.059 0.000 2.179 414 I HA -0.142 4.025 4.170 -0.005 0.000 0.242 414 I C 2.588 178.617 176.117 -0.146 0.000 1.088 414 I CA 0.435 61.652 61.300 -0.138 0.000 1.357 414 I CB -0.265 37.594 38.000 -0.235 0.000 1.051 414 I HN 0.118 nan 8.210 nan 0.000 0.409 415 L N 0.812 121.964 121.223 -0.119 0.000 2.010 415 L HA -0.330 4.008 4.340 -0.005 0.000 0.219 415 L C 2.632 179.449 176.870 -0.087 0.000 1.077 415 L CA 2.017 56.795 54.840 -0.104 0.000 0.773 415 L CB -0.952 41.064 42.059 -0.072 0.000 0.892 415 L HN 0.328 nan 8.230 nan 0.000 0.436 416 Q N -1.019 118.741 119.800 -0.067 0.000 2.152 416 Q HA -0.246 4.091 4.340 -0.005 0.000 0.206 416 Q C 2.238 178.198 176.000 -0.067 0.000 0.985 416 Q CA 1.954 57.724 55.803 -0.056 0.000 0.863 416 Q CB -0.417 28.296 28.738 -0.042 0.000 0.904 416 Q HN 0.549 nan 8.270 nan 0.000 0.422 417 L N 0.041 121.215 121.223 -0.081 0.000 2.072 417 L HA -0.130 4.207 4.340 -0.005 0.000 0.205 417 L C 2.401 179.210 176.870 -0.102 0.000 1.079 417 L CA 0.588 55.374 54.840 -0.089 0.000 0.752 417 L CB -0.554 41.446 42.059 -0.099 0.000 0.906 417 L HN 0.050 nan 8.230 nan 0.000 0.436 418 V N -0.594 119.246 119.914 -0.123 0.000 2.469 418 V HA -0.238 3.879 4.120 -0.005 0.000 0.251 418 V C 2.471 178.509 176.094 -0.093 0.000 1.064 418 V CA 1.486 63.711 62.300 -0.125 0.000 1.066 418 V CB -0.624 31.111 31.823 -0.147 0.000 0.667 418 V HN 0.367 nan 8.190 nan 0.000 0.461 419 E N 0.873 121.025 120.200 -0.080 0.000 2.047 419 E HA -0.114 4.233 4.350 -0.005 0.000 0.191 419 E C 2.529 179.095 176.600 -0.058 0.000 0.987 419 E CA 1.795 58.157 56.400 -0.063 0.000 0.799 419 E CB -0.554 29.114 29.700 -0.054 0.000 0.752 419 E HN 0.638 nan 8.360 nan 0.000 0.449 420 S N -0.126 115.537 115.700 -0.062 0.000 2.377 420 S HA -0.059 4.409 4.470 -0.005 0.000 0.223 420 S C 2.171 176.733 174.600 -0.063 0.000 1.030 420 S CA 0.842 59.006 58.200 -0.060 0.000 0.970 420 S CB -0.229 62.932 63.200 -0.065 0.000 0.830 420 S HN 0.042 nan 8.310 nan 0.000 0.473 421 V N 2.350 122.221 119.914 -0.071 0.000 2.594 421 V HA -0.199 3.918 4.120 -0.005 0.000 0.253 421 V C 3.045 179.103 176.094 -0.061 0.000 1.069 421 V CA 2.009 64.266 62.300 -0.071 0.000 1.082 421 V CB -1.354 30.419 31.823 -0.082 0.000 0.680 421 V HN 0.620 nan 8.190 nan 0.000 0.469 422 R N -0.138 120.326 120.500 -0.060 0.000 2.096 422 R HA -0.089 4.248 4.340 -0.005 0.000 0.235 422 R C 1.361 177.637 176.300 -0.040 0.000 1.127 422 R CA 0.919 56.989 56.100 -0.051 0.000 0.968 422 R CB -0.919 29.350 30.300 -0.051 0.000 0.861 422 R HN 0.605 nan 8.270 nan 0.000 0.440 423 Q N 0.485 120.262 119.800 -0.038 0.000 2.348 423 Q HA -0.011 4.326 4.340 -0.005 0.000 0.331 423 Q C -1.701 174.285 176.000 -0.022 0.000 1.099 423 Q CA -0.951 54.835 55.803 -0.029 0.000 1.021 423 Q CB 0.622 29.342 28.738 -0.031 0.000 1.166 423 Q HN 0.271 nan 8.270 nan 0.000 0.393 424 P HA -0.017 nan 4.420 nan 0.000 0.229 424 P C 0.947 178.251 177.300 0.007 0.000 1.160 424 P CA 0.987 64.084 63.100 -0.006 0.000 0.777 424 P CB 0.227 31.925 31.700 -0.004 0.000 0.814 425 G N -1.212 107.595 108.800 0.012 0.000 2.920 425 G HA2 -0.068 3.889 3.960 -0.005 0.000 0.208 425 G HA3 -0.068 3.889 3.960 -0.005 0.000 0.208 425 G C -0.005 174.911 174.900 0.027 0.000 1.159 425 G CA 0.013 45.139 45.100 0.043 0.000 0.784 425 G HN 0.375 nan 8.290 nan 0.000 0.535 426 C N 1.276 120.567 119.300 -0.015 0.000 2.265 426 C HA 0.600 5.057 4.460 -0.005 0.000 0.332 426 C C 1.284 176.259 174.990 -0.026 0.000 1.248 426 C CA -0.897 58.091 59.018 -0.049 0.000 1.727 426 C CB -0.598 27.104 27.740 -0.062 0.000 2.348 426 C HN 0.330 nan 8.230 nan 0.000 0.519 427 L N 5.643 126.855 121.223 -0.018 0.000 2.741 427 L HA 0.236 4.573 4.340 -0.005 0.000 0.237 427 L C 0.628 177.484 176.870 -0.024 0.000 1.178 427 L CA -0.285 54.553 54.840 -0.003 0.000 0.973 427 L CB -0.624 41.456 42.059 0.035 0.000 1.255 427 L HN 0.582 nan 8.230 nan 0.000 0.498 428 L N 0.656 121.852 121.223 -0.046 0.000 2.514 428 L HA -0.061 4.276 4.340 -0.005 0.000 0.280 428 L C 1.128 177.969 176.870 -0.049 0.000 1.223 428 L CA 1.130 55.936 54.840 -0.057 0.000 0.864 428 L CB 0.481 42.497 42.059 -0.073 0.000 1.118 428 L HN 0.179 nan 8.230 nan 0.000 0.494 429 E N 1.776 121.945 120.200 -0.052 0.000 2.514 429 E HA 0.135 4.482 4.350 -0.005 0.000 0.215 429 E C -0.424 176.146 176.600 -0.050 0.000 0.946 429 E CA -0.010 56.364 56.400 -0.042 0.000 1.038 429 E CB 0.717 30.399 29.700 -0.030 0.000 1.069 429 E HN 0.622 nan 8.360 nan 0.000 0.503 430 Q N 1.215 120.974 119.800 -0.069 0.000 2.295 430 Q HA 0.432 4.769 4.340 -0.005 0.000 0.268 430 Q C -2.207 173.735 176.000 -0.096 0.000 1.010 430 Q CA -0.714 55.044 55.803 -0.075 0.000 0.856 430 Q CB 1.755 30.451 28.738 -0.070 0.000 1.349 430 Q HN 0.053 nan 8.270 nan 0.000 0.412 431 L N 4.390 125.558 121.223 -0.091 0.000 2.404 431 L HA 0.604 4.941 4.340 -0.005 0.000 0.272 431 L C -1.796 175.019 176.870 -0.092 0.000 0.980 431 L CA -0.535 54.248 54.840 -0.094 0.000 0.836 431 L CB 2.109 44.112 42.059 -0.092 0.000 1.238 431 L HN 0.491 nan 8.230 nan 0.000 0.408 432 V N 6.894 126.760 119.914 -0.080 0.000 2.370 432 V HA 0.390 4.507 4.120 -0.005 0.000 0.279 432 V C 0.229 176.304 176.094 -0.032 0.000 1.029 432 V CA -0.242 61.998 62.300 -0.100 0.000 0.870 432 V CB 1.235 33.039 31.823 -0.031 0.000 0.984 432 V HN 0.663 nan 8.190 nan 0.000 0.451 433 L N 5.295 126.494 121.223 -0.040 0.000 3.083 433 L HA 0.417 4.755 4.340 -0.005 0.000 0.286 433 L C -0.515 176.470 176.870 0.191 0.000 1.307 433 L CA -0.324 54.601 54.840 0.141 0.000 0.897 433 L CB -0.054 42.172 42.059 0.279 0.000 1.306 433 L HN 0.477 nan 8.230 nan 0.000 0.569 434 Y N 0.549 120.919 120.300 0.118 0.000 2.457 434 Y HA 0.007 4.554 4.550 -0.005 0.000 0.341 434 Y C 1.183 177.098 175.900 0.025 0.000 1.240 434 Y CA -0.164 57.970 58.100 0.057 0.000 1.437 434 Y CB 0.328 38.812 38.460 0.041 0.000 1.328 434 Y HN 0.347 nan 8.280 nan 0.000 0.588 435 D N 1.040 121.539 120.400 0.164 0.000 2.701 435 D HA -0.226 4.411 4.640 -0.005 0.000 0.235 435 D C -0.874 175.446 176.300 0.033 0.000 1.155 435 D CA 0.867 54.896 54.000 0.048 0.000 0.649 435 D CB -1.320 39.505 40.800 0.041 0.000 1.050 435 D HN 0.354 nan 8.370 nan 0.000 0.425 436 I N 0.479 121.034 120.570 -0.025 0.000 2.436 436 I HA 0.216 4.383 4.170 -0.005 0.000 0.289 436 I C 0.111 176.127 176.117 -0.168 0.000 1.010 436 I CA -1.229 60.093 61.300 0.036 0.000 1.098 436 I CB 1.470 39.621 38.000 0.251 0.000 1.266 436 I HN -0.138 nan 8.210 nan 0.000 0.434 437 Y N 7.712 127.936 120.300 -0.126 0.000 2.335 437 Y HA 0.428 4.975 4.550 -0.005 0.000 0.331 437 Y C -0.943 174.968 175.900 0.018 0.000 1.094 437 Y CA -0.566 57.421 58.100 -0.189 0.000 1.253 437 Y CB 0.707 39.115 38.460 -0.087 0.000 1.203 437 Y HN 0.559 nan 8.280 nan 0.000 0.508 438 W N 3.935 124.724 121.300 -0.851 0.000 3.217 438 W HA 0.650 5.307 4.660 -0.005 0.000 0.323 438 W C -1.041 175.003 176.519 -0.792 0.000 1.216 438 W CA -1.194 55.724 57.345 -0.712 0.000 1.194 438 W CB -0.304 28.980 29.460 -0.294 0.000 1.397 438 W HN 0.723 nan 8.180 nan 0.000 0.537 439 S N 0.522 116.086 115.700 -0.227 0.000 2.587 439 S HA -0.009 4.458 4.470 -0.005 0.000 0.260 439 S C 0.935 175.574 174.600 0.065 0.000 1.353 439 S CA 0.471 58.620 58.200 -0.086 0.000 0.995 439 S CB 1.010 64.207 63.200 -0.004 0.000 0.912 439 S HN 0.719 nan 8.310 nan 0.000 0.568 440 E N 0.515 120.750 120.200 0.058 0.000 2.153 440 E HA -0.165 4.182 4.350 -0.005 0.000 0.194 440 E C 1.725 178.363 176.600 0.064 0.000 0.988 440 E CA 1.369 57.812 56.400 0.072 0.000 0.811 440 E CB -0.183 29.550 29.700 0.055 0.000 0.746 440 E HN 0.730 nan 8.360 nan 0.000 0.466 441 E N -0.100 120.124 120.200 0.040 0.000 2.015 441 E HA -0.129 4.218 4.350 -0.005 0.000 0.191 441 E C 1.968 178.561 176.600 -0.012 0.000 0.991 441 E CA 0.890 57.298 56.400 0.012 0.000 0.802 441 E CB -0.243 29.459 29.700 0.003 0.000 0.759 441 E HN 0.122 nan 8.360 nan 0.000 0.447 442 M N 0.521 120.106 119.600 -0.025 0.000 2.106 442 M HA -0.203 4.274 4.480 -0.005 0.000 0.259 442 M C 2.175 178.366 176.300 -0.180 0.000 1.068 442 M CA 1.564 56.778 55.300 -0.144 0.000 1.100 442 M CB -0.963 31.525 32.600 -0.188 0.000 1.351 442 M HN 0.081 nan 8.290 nan 0.000 0.404 443 E N 0.505 120.743 120.200 0.064 0.000 2.058 443 E HA -0.214 4.133 4.350 -0.005 0.000 0.194 443 E C 1.522 178.149 176.600 0.044 0.000 0.997 443 E CA 2.114 58.624 56.400 0.185 0.000 0.801 443 E CB -0.313 29.566 29.700 0.298 0.000 0.746 443 E HN 0.449 nan 8.360 nan 0.000 0.450 444 D N -0.573 119.841 120.400 0.022 0.000 2.087 444 D HA -0.135 4.502 4.640 -0.005 0.000 0.192 444 D C 2.031 178.310 176.300 -0.035 0.000 0.993 444 D CA 1.618 55.618 54.000 0.000 0.000 0.828 444 D CB -0.040 40.760 40.800 0.000 0.000 0.968 444 D HN 0.139 nan 8.370 nan 0.000 0.448 445 R N -0.049 120.411 120.500 -0.067 0.000 2.117 445 R HA -0.130 4.207 4.340 -0.005 0.000 0.243 445 R C 2.485 178.718 176.300 -0.113 0.000 1.143 445 R CA 0.669 56.715 56.100 -0.090 0.000 0.968 445 R CB -0.471 29.760 30.300 -0.115 0.000 0.863 445 R HN 0.318 nan 8.270 nan 0.000 0.444 446 L N 0.496 121.629 121.223 -0.150 0.000 2.093 446 L HA -0.175 4.163 4.340 -0.005 0.000 0.208 446 L C 2.566 179.388 176.870 -0.080 0.000 1.085 446 L CA 1.101 55.843 54.840 -0.162 0.000 0.755 446 L CB -0.308 41.612 42.059 -0.230 0.000 0.904 446 L HN 0.198 nan 8.230 nan 0.000 0.435 447 Q N -0.517 119.259 119.800 -0.040 0.000 2.378 447 Q HA -0.042 4.295 4.340 -0.005 0.000 0.205 447 Q C 2.149 178.133 176.000 -0.026 0.000 0.954 447 Q CA 1.151 56.944 55.803 -0.017 0.000 0.901 447 Q CB 0.034 28.776 28.738 0.006 0.000 0.981 447 Q HN 0.487 nan 8.270 nan 0.000 0.483 448 A N 0.649 123.447 122.820 -0.037 0.000 1.841 448 A HA -0.172 4.145 4.320 -0.005 0.000 0.214 448 A C 2.028 179.588 177.584 -0.040 0.000 1.195 448 A CA 1.179 53.195 52.037 -0.036 0.000 0.611 448 A CB -0.807 18.167 19.000 -0.042 0.000 0.835 448 A HN 0.350 nan 8.150 nan 0.000 0.443 449 L N 0.210 121.400 121.223 -0.056 0.000 1.976 449 L HA -0.262 4.075 4.340 -0.005 0.000 0.223 449 L C 2.227 179.070 176.870 -0.045 0.000 1.081 449 L CA 2.717 57.522 54.840 -0.059 0.000 0.784 449 L CB -1.198 40.812 42.059 -0.082 0.000 0.896 449 L HN 0.574 nan 8.230 nan 0.000 0.438 450 E N -0.880 119.294 120.200 -0.042 0.000 2.187 450 E HA -0.271 4.076 4.350 -0.005 0.000 0.199 450 E C 2.197 178.784 176.600 -0.022 0.000 1.004 450 E CA 2.086 58.468 56.400 -0.030 0.000 0.813 450 E CB -0.176 29.511 29.700 -0.021 0.000 0.736 450 E HN 0.637 nan 8.360 nan 0.000 0.468 451 K N 0.270 120.657 120.400 -0.021 0.000 2.166 451 K HA 0.008 4.325 4.320 -0.005 0.000 0.201 451 K C 1.780 178.370 176.600 -0.017 0.000 1.052 451 K CA 1.419 57.697 56.287 -0.015 0.000 0.969 451 K CB -1.322 31.171 32.500 -0.013 0.000 0.761 451 K HN 0.342 nan 8.250 nan 0.000 0.459 452 D N 0.534 120.921 120.400 -0.022 0.000 2.123 452 D HA -0.005 4.632 4.640 -0.005 0.000 0.200 452 D C 1.356 177.643 176.300 -0.021 0.000 0.976 452 D CA 1.268 55.255 54.000 -0.021 0.000 0.831 452 D CB 0.035 40.820 40.800 -0.026 0.000 0.974 452 D HN 0.420 nan 8.370 nan 0.000 0.469 453 K N 0.381 120.766 120.400 -0.026 0.000 2.499 453 K HA 0.299 4.616 4.320 -0.005 0.000 0.215 453 K C -2.228 174.358 176.600 -0.023 0.000 1.041 453 K CA -1.575 54.697 56.287 -0.025 0.000 1.031 453 K CB 2.025 34.507 32.500 -0.031 0.000 1.479 453 K HN -0.003 nan 8.250 nan 0.000 0.518 454 P HA -0.095 nan 4.420 nan 0.000 0.226 454 P C 0.592 177.884 177.300 -0.014 0.000 1.153 454 P CA 0.791 63.882 63.100 -0.014 0.000 0.777 454 P CB 0.280 31.974 31.700 -0.010 0.000 0.794 455 S N -1.195 114.495 115.700 -0.015 0.000 2.515 455 S HA 0.015 4.482 4.470 -0.005 0.000 0.231 455 S C 0.686 175.274 174.600 -0.020 0.000 0.987 455 S CA 0.002 58.193 58.200 -0.015 0.000 0.936 455 S CB -0.769 62.423 63.200 -0.013 0.000 0.766 455 S HN 0.109 nan 8.310 nan 0.000 0.528 456 L N 1.891 123.098 121.223 -0.027 0.000 2.305 456 L HA 0.538 4.875 4.340 -0.005 0.000 0.284 456 L C -0.549 176.299 176.870 -0.037 0.000 1.013 456 L CA -0.721 54.097 54.840 -0.036 0.000 0.819 456 L CB 1.414 43.446 42.059 -0.045 0.000 1.227 456 L HN -0.117 nan 8.230 nan 0.000 0.417 457 R N 3.983 124.461 120.500 -0.037 0.000 2.221 457 R HA 0.549 4.886 4.340 -0.005 0.000 0.327 457 R C -1.126 175.143 176.300 -0.052 0.000 1.033 457 R CA -0.618 55.461 56.100 -0.036 0.000 0.887 457 R CB 1.527 31.810 30.300 -0.028 0.000 1.057 457 R HN 0.497 nan 8.270 nan 0.000 0.455 458 V N 6.164 126.047 119.914 -0.052 0.000 2.333 458 V HA 0.265 4.383 4.120 -0.005 0.000 0.274 458 V C 0.374 176.429 176.094 -0.065 0.000 1.028 458 V CA -0.515 61.746 62.300 -0.065 0.000 0.851 458 V CB 1.183 32.966 31.823 -0.066 0.000 1.000 458 V HN 0.660 nan 8.190 nan 0.000 0.456 459 I N 4.269 124.769 120.570 -0.118 0.000 2.337 459 I HA 0.246 4.413 4.170 -0.005 0.000 0.291 459 I C 1.057 177.002 176.117 -0.286 0.000 1.046 459 I CA 0.387 61.556 61.300 -0.219 0.000 1.324 459 I CB 0.988 38.793 38.000 -0.325 0.000 1.409 459 I HN 0.847 nan 8.210 nan 0.000 0.494 460 S N 0.000 115.607 115.700 -0.156 0.000 2.498 460 S HA 0.000 4.467 4.470 -0.005 0.000 0.327 460 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 460 S CB 0.000 63.219 63.200 0.032 0.000 0.593 460 S HN 0.000 nan 8.310 nan 0.000 0.517